1  8733  Water Truncated Octahedron (55.897 Ang, 2911 AMOEBA)
2     1  O     11.587747    5.012987    0.116366     1     2     3
3     2  H     11.169235    4.161656    0.335991     2     1
4     3  H     11.063187    5.418321   -0.540192     2     1
5     4  O     -0.757912  -11.515202    6.012128     1     5     6
6     5  H     -0.711968  -10.605467    5.876214     2     4
7     6  H     -1.355882  -11.742380    5.307657     2     4
8     7  O     -9.611847   -0.435302    9.770541     1     8     9
9     8  H     -9.887392    0.517167    9.601262     2     7
10     9  H     -9.177889   -0.731668    8.985376     2     7
11    10  O     10.325712    3.715026   -9.794625     1    11    12
12    11  H     10.732655    4.593594   -9.965901     2    10
13    12  H     10.179270    3.737681   -8.856970     2    10
14    13  O      6.838912    8.544606    3.224125     1    14    15
15    14  H      6.119676    8.857375    2.684619     2    13
16    15  H      7.546058    9.178451    2.998006     2    13
17    16  O     -3.558173   -9.339445   -1.940533     1    17    18
18    17  H     -2.834964   -9.554569   -2.528240     2    16
19    18  H     -3.717988  -10.093101   -1.328635     2    16
20    19  O     -7.171515   -3.927788    7.058515     1    20    21
21    20  H     -7.501229   -4.714127    6.625877     2    19
22    21  H     -6.169728   -3.915192    6.928846     2    19
23    22  O      0.186210    7.147869   -4.770744     1    23    24
24    23  H      0.906520    7.022099   -4.145680     2    22
25    24  H      0.354139    8.018352   -5.165994     2    22
26    25  O     -3.716447   -2.177209   -1.577072     1    26    27
27    26  H     -3.887402   -3.096325   -1.717256     2    25
28    27  H     -4.279238   -1.944926   -0.780813     2    25
29    28  O     -4.113588   -5.050165    1.895574     1    29    30
30    29  H     -4.004929   -4.160490    2.254704     2    28
31    30  H     -4.920226   -5.108270    1.411681     2    28
32    31  O      8.648606    2.390316    6.241346     1    32    33
33    32  H      7.832047    2.784505    6.517104     2    31
34    33  H      9.169018    3.207665    6.213308     2    31
35    34  O     -1.047717    1.965412   -4.754861     1    35    36
36    35  H     -1.863648    2.404163   -4.579892     2    34
37    36  H     -0.844583    1.422341   -3.980480     2    34
38    37  O     -0.231491    5.969707    5.759392     1    38    39
39    38  H     -1.208315    5.906108    5.569311     2    37
40    39  H      0.175824    5.732804    4.913400     2    37
41    40  O      1.560171    6.266121    8.534360     1    41    42
42    41  H      2.159436    5.627884    8.161359     2    40
43    42  H      1.044777    6.646011    7.760001     2    40
44    43  O      1.501030    7.094844    0.901325     1    44    45
45    44  H      0.993701    7.525023    0.169542     2    43
46    45  H      0.806897    6.670406    1.424036     2    43
47    46  O      2.985322    4.203240    7.423321     1    47    48
48    47  H      2.847133    3.537414    6.726813     2    46
49    48  H      3.581291    3.726502    8.015418     2    46
50    49  O     -7.464415    6.426675   -5.140422     1    50    51
51    50  H     -6.465761    6.420723   -5.157100     2    49
52    51  H     -7.689139    6.812129   -5.998784     2    49
53    52  O     -9.547915    3.178936   11.210960     1    53    54
54    53  H     -9.656123    2.707633   10.368822     2    52
55    54  H     -8.828230    2.790511   11.699685     2    52
56    55  O      5.318448    0.833240    4.328487     1    56    57
57    56  H      6.327476    1.047891    4.243474     2    55
58    57  H      4.871688    1.639931    4.640431     2    55
59    58  O     -6.987954   -3.536862    9.612755     1    59    60
60    59  H     -7.325002   -3.917643    8.760108     2    58
61    60  H     -7.564227   -3.760454   10.308587     2    58
62    61  O      0.058017    8.071871   -1.161678     1    62    63
63    62  H     -0.001567    9.057411   -1.225541     2    61
64    63  H     -0.807250    7.772362   -0.858804     2    61
65    64  O     -9.273988   -8.194077   -0.480885     1    65    66
66    65  H     -9.593316   -9.085107   -0.738463     2    64
67    66  H     -8.377581   -8.279166   -0.833591     2    64
68    67  O     -8.591095   -7.362607    2.042718     1    68    69
69    68  H     -9.305776   -7.416469    2.638269     2    67
70    69  H     -8.883710   -7.884850    1.265157     2    67
71    70  O     -4.378821   -4.859444   -2.251662     1    71    72
72    71  H     -4.062847   -5.612401   -1.769716     2    70
73    72  H     -4.286741   -4.994003   -3.193669     2    70
74    73  O      8.014383   -8.890530   -6.617397     1    74    75
75    74  H      7.467517   -9.681284   -6.594398     2    73
76    75  H      8.908765   -9.063320   -6.289610     2    73
77    76  O     -1.349937   -8.321943    1.923742     1    77    78
78    77  H     -1.527804   -7.353299    1.666399     2    76
79    78  H     -0.725294   -8.652281    1.188556     2    76
80    79  O      0.286204   -6.089363    5.617256     1    80    81
81    80  H      1.197599   -6.255500    5.222224     2    79
82    81  H      0.213538   -6.171789    6.559049     2    79
83    82  O      8.994345   -0.752310    2.072009     1    83    84
84    83  H      8.906094    0.041715    2.600552     2    82
85    84  H      8.165130   -1.184784    2.078772     2    82
86    85  O     -1.192064    6.602259    2.162916     1    86    87
87    86  H     -0.864271    7.477163    2.326167     2    85
88    87  H     -1.488579    6.550475    1.221120     2    85
89    88  O      3.028245    8.795981    9.075274     1    89    90
90    89  H      2.566423    7.943496    9.121423     2    88
91    90  H      2.360159    9.450555    9.376042     2    88
92    91  O      7.044882    9.629185   -3.016060     1    92    93
93    92  H      6.754173    9.042120   -3.691887     2    91
94    93  H      7.678726    9.180047   -2.437318     2    91
95    94  O     -8.645098    3.015231    6.132846     1    95    96
96    95  H     -7.729729    2.831027    5.967609     2    94
97    96  H     -9.100182    2.309275    5.722138     2    94
98    97  O      2.588613    3.784291   -1.546614     1    98    99
99    98  H      3.497506    3.987328   -1.783628     2    97
100    99  H      2.472379    2.859431   -1.892516     2    97
101   100  O      7.163429   -7.901907    4.501436     1   101   102
102   101  H      7.598987   -8.121526    3.668942     2   100
103   102  H      7.949044   -7.728558    5.078936     2   100
104   103  O     -8.658158   -0.498562   -4.781121     1   104   105
105   104  H     -7.709971   -0.438293   -5.096979     2   103
106   105  H     -8.666745    0.024487   -4.009433     2   103
107   106  O      4.187815   -4.624756    4.766199     1   107   108
108   107  H      4.290841   -4.461884    5.668646     2   106
109   108  H      3.640237   -5.373558    4.659529     2   106
110   109  O      6.656004   -2.670713    4.954298     1   110   111
111   110  H      7.406899   -2.177215    5.373693     2   109
112   111  H      6.744105   -3.641378    5.161750     2   109
113   112  O      7.873834   -3.455764   -0.089764     1   113   114
114   113  H      7.165545   -2.839812   -0.171014     2   112
115   114  H      7.514926   -4.235726    0.357845     2   112
116   115  O     -4.227640   -2.566950    2.969386     1   116   117
117   116  H     -5.090274   -2.664606    3.385236     2   115
118   117  H     -3.596505   -2.474814    3.698352     2   115
119   118  O     -7.435294   -1.669552   -2.425034     1   119   120
120   119  H     -6.904207   -2.482322   -2.310741     2   118
121   120  H     -8.036362   -1.793710   -3.144806     2   118
122   121  O      6.464554    3.657362    7.021627     1   122   123
123   122  H      5.663008    3.093923    7.289469     2   121
124   123  H      6.132814    4.540239    7.288294     2   121
125   124  O     -3.845965   -7.036592   -0.528748     1   125   126
126   125  H     -3.280996   -6.876898    0.234136     2   124
127   126  H     -3.572247   -7.912938   -0.765634     2   124
128   127  O     -3.441847    0.098023   -3.287032     1   128   129
129   128  H     -3.551123   -0.622159   -2.657451     2   127
130   129  H     -3.587970   -0.162245   -4.208573     2   127
131   130  O      1.131565    3.747638    0.790227     1   131   132
132   131  H      1.670249    3.858598    0.036863     2   130
133   132  H      0.202969    3.752988    0.463830     2   130
134   133  O     -2.093551    1.160084    1.261591     1   134   135
135   134  H     -1.585074    0.342149    1.123544     2   133
136   135  H     -3.022256    1.032908    1.316424     2   133
137   136  O     -7.140032   -4.575437   -2.127827     1   137   138
138   137  H     -7.070424   -4.707520   -1.162444     2   136
139   138  H     -6.170780   -4.613783   -2.186311     2   136
140   139  O     -1.177300    2.223002    3.882488     1   140   141
141   140  H     -0.635536    3.033011    3.949881     2   139
142   141  H     -1.339716    1.929644    2.972563     2   139
143   142  O      5.146159   -2.354323   -5.039548     1   143   144
144   143  H      4.851401   -3.006338   -4.337196     2   142
145   144  H      6.102324   -2.470621   -5.040852     2   142
146   145  O      8.164593   -0.344704    8.887157     1   146   147
147   146  H      7.909503    0.512319    9.217856     2   145
148   147  H      8.457629   -0.314864    7.929437     2   145
149   148  O      4.373344   -0.676293    6.551766     1   149   150
150   149  H      3.506638   -0.822636    6.239626     2   148
151   150  H      4.902580   -0.422125    5.786142     2   148
152   151  O     -8.225007   -1.276026    7.538170     1   152   153
153   152  H     -8.767494   -1.045305    6.762011     2   151
154   153  H     -8.005262   -2.222894    7.540859     2   151
155   154  O     -4.483059   -4.227160    6.085208     1   155   156
156   155  H     -4.298450   -4.901085    5.330348     2   154
157   156  H     -3.875122   -3.513110    5.869374     2   154
158   157  O      1.589044    1.223890    1.603962     1   158   159
159   158  H      1.394769    2.158720    1.379627     2   157
160   159  H      2.499463    1.201747    1.844505     2   157
161   160  O      3.635474   -6.649374    1.516514     1   161   162
162   161  H      2.960851   -6.501493    0.860394     2   160
163   162  H      4.383066   -6.189072    1.185229     2   160
164   163  O      3.124722   -7.210662    4.137760     1   164   165
165   164  H      3.305586   -7.161372    3.176277     2   163
166   165  H      2.437389   -7.875840    4.211219     2   163
167   166  O      1.994272   -1.363502    5.325492     1   167   168
168   167  H      1.518300   -0.609377    4.982692     2   166
169   168  H      1.342352   -2.005133    5.598817     2   166
170   169  O      0.750399   -0.404861    8.880843     1   170   171
171   170  H      0.898464   -0.180945    9.787515     2   169
172   171  H      0.857058   -1.328476    8.828459     2   169
173   172  O     -0.380949   -0.469477   -6.111255     1   173   174
174   173  H     -0.031648   -0.549093   -5.188673     2   172
175   174  H      0.443945   -0.462350   -6.591937     2   172
176   175  O      1.995004    2.420781   -5.833605     1   176   177
177   176  H      0.990932    2.242414   -5.762757     2   175
178   177  H      2.362948    1.596174   -5.511677     2   175
179   178  O     -2.590833   -2.063403    5.340715     1   179   180
180   179  H     -1.666960   -2.128144    5.639149     2   178
181   180  H     -2.926037   -1.131341    5.340258     2   178
182   181  O      1.605836    5.202322   -6.411272     1   182   183
183   182  H      1.064086    5.908008   -6.008866     2   181
184   183  H      1.527125    4.460396   -5.762902     2   181
185   184  O     -4.450128    4.787355    0.000447     1   185   186
186   185  H     -4.883423    3.946397    0.220113     2   184
187   186  H     -4.701065    5.305619    0.781549     2   184
188   187  O     -0.011238   -1.003377    0.885771     1   188   189
189   188  H      0.553139   -1.643091    1.213442     2   187
190   189  H      0.453799   -0.168361    0.903916     2   187
191   190  O      0.351354    4.780999    3.414065     1   191   192
192   191  H     -0.079572    5.306728    2.737502     2   190
193   192  H      1.279750    4.726419    3.163831     2   190
194   193  O      5.424205   -1.182138   -0.046511     1   194   195
195   194  H      4.519112   -1.123573   -0.311810     2   193
196   195  H      5.914559   -0.907846   -0.812562     2   193
197   196  O      0.368270   -3.455816    8.982105     1   197   198
198   197  H     -0.233583   -3.034527    9.674793     2   196
199   198  H      1.318900   -3.347487    9.225186     2   196
200   199  O     -4.780774   -3.410151   -7.327374     1   200   201
201   200  H     -5.735614   -3.259279   -7.574753     2   199
202   201  H     -4.551281   -4.222213   -7.868638     2   199
203   202  O      6.793722    6.227954   -0.412862     1   203   204
204   203  H      5.891647    6.625462   -0.314523     2   202
205   204  H      7.173471    6.071420    0.436070     2   202
206   205  O      5.093615    2.132690   -9.910132     1   206   207
207   206  H      4.272348    2.068667   -9.504640     2   205
208   207  H      5.741630    1.887617   -9.196139     2   205
209   208  O     -5.713874    6.471976    1.893803     1   209   210
210   209  H     -6.095963    6.250920    2.768581     2   208
211   210  H     -6.463726    6.822946    1.377091     2   208
212   211  O      7.419144   -4.882762    6.403418     1   212   213
213   212  H      6.603806   -5.297610    6.662315     2   211
214   213  H      7.989682   -5.647269    6.247056     2   211
215   214  O     -2.885467    5.708221    5.612895     1   215   216
216   215  H     -3.134453    5.433695    6.521946     2   214
217   216  H     -3.219810    5.054748    5.013604     2   214
218   217  O     11.096647    2.542885    9.642159     1   218   219
219   218  H     10.242501    2.907882    9.851240     2   217
220   219  H     11.768373    3.222926    9.868615     2   217
221   220  O      1.109934    0.823084    4.274930     1   221   222
222   221  H      0.221085    1.106635    4.559456     2   220
223   222  H      1.026083    0.794338    3.307146     2   220
224   223  O      4.951551   -6.475833    6.717067     1   224   225
225   224  H      5.480316   -7.185716    7.120026     2   223
226   225  H      4.679538   -6.758294    5.809088     2   223
227   226  O      4.484397    0.719954    1.702841     1   227   228
228   227  H      4.678968    0.553659    2.608072     2   226
229   228  H      4.803491   -0.109267    1.335363     2   226
230   229  O      2.587889   -5.870045   -5.243621     1   230   231
231   230  H      2.862833   -5.226019   -5.898450     2   229
232   231  H      1.658050   -5.877394   -5.154146     2   229
233   232  O     -3.671831   -9.797151    2.255123     1   233   234
234   233  H     -4.573729   -9.395428    2.271901     2   232
235   234  H     -3.025616   -9.072524    2.028737     2   232
236   235  O      4.320607    7.057283    4.114625     1   236   237
237   236  H      4.288182    7.805896    3.539229     2   235
238   237  H      3.916810    7.337927    4.942708     2   235
239   238  O     -8.802469    7.867952   -7.192935     1   239   240
240   239  H     -8.874199    8.759692   -7.059555     2   238
241   240  H     -8.614821    7.681758   -8.109370     2   238
242   241  O     -5.508267    0.013456    7.992234     1   242   243
243   242  H     -5.374122    0.878590    8.401923     2   241
244   243  H     -6.453716   -0.054371    7.721979     2   241
245   244  O      3.120169    4.901735    2.861048     1   245   246
246   245  H      3.597827    4.545775    2.041710     2   244
247   246  H      3.721511    5.602634    3.129654     2   244
248   247  O     -6.710191  -10.936019   -3.198915     1   248   249
249   248  H     -7.475926  -11.117732   -3.769908     2   247
250   249  H     -6.690922  -11.676332   -2.581666     2   247
251   250  O      3.886622   -3.936551   -6.890150     1   251   252
252   251  H      4.661003   -4.392889   -7.281184     2   250
253   252  H      4.292822   -3.080974   -6.563811     2   250
254   253  O      3.188657    8.597088   -4.181022     1   254   255
255   254  H      2.652566    8.053103   -3.541197     2   253
256   255  H      3.800687    9.128099   -3.610572     2   253
257   256  O     -2.682096    9.369123   -3.090613     1   257   258
258   257  H     -2.936747   10.039385   -3.801730     2   256
259   258  H     -1.747080    9.426758   -2.987797     2   256
260   259  O     -2.116166   -6.831119   -6.290367     1   260   261
261   260  H     -2.207717   -6.999834   -7.274872     2   259
262   261  H     -2.816009   -6.249785   -6.003254     2   259
263   262  O     -1.336076   -4.823760    3.743738     1   263   264
264   263  H     -0.522884   -5.197537    4.096979     2   262
265   264  H     -1.989116   -5.275190    4.221873     2   262
266   265  O      6.751657   -7.958618    0.131406     1   266   267
267   266  H      6.104455   -8.575067   -0.270753     2   265
268   267  H      7.482771   -7.764253   -0.543897     2   265
269   268  O     -6.391168    3.557071    2.654226     1   269   270
270   269  H     -6.391966    4.053426    3.464563     2   268
271   270  H     -7.210153    3.766842    2.225753     2   268
272   271  O     -1.088090   -6.635327   -1.743105     1   272   273
273   272  H     -0.843083   -7.570425   -1.511051     2   271
274   273  H     -2.034143   -6.624049   -1.553651     2   271
275   274  O      5.043286    2.732162  -12.597167     1   275   276
276   275  H      5.581355    1.963435  -12.835910     2   274
277   276  H      5.084655    2.647741  -11.619832     2   274
278   277  O      8.625483   -0.908509    6.045817     1   278   279
279   278  H      8.757192   -0.268373    5.376576     2   277
280   279  H      9.382579   -1.498363    6.028516     2   277
281   280  O     -7.901361   -3.263928   -6.254059     1   281   282
282   281  H     -8.683170   -3.323467   -6.814145     2   280
283   282  H     -7.442380   -2.433514   -6.392263     2   280
284   283  O     -7.818249   -7.435034   11.659705     1   284   285
285   284  H     -7.954279   -7.325450   10.699523     2   283
286   285  H     -8.685276   -7.688104   12.047230     2   283
287   286  O     -4.704202    2.285212   -4.008889     1   287   288
288   287  H     -4.607393    1.429725   -3.610247     2   286
289   288  H     -4.074227    2.852662   -3.582983     2   286
290   289  O     -6.413904   -4.359088    0.493031     1   290   291
291   290  H     -7.062397   -4.447206    1.205143     2   289
292   291  H     -6.131659   -3.397739    0.597614     2   289
293   292  O     -7.763565    7.196452    0.071275     1   293   294
294   293  H     -7.996291    8.144587    0.171182     2   292
295   294  H     -8.624495    6.845721    0.177367     2   292
296   295  O      7.271999    3.611616    2.798242     1   296   297
297   296  H      6.446042    3.659716    2.311289     2   295
298   297  H      7.124579    4.007827    3.640314     2   295
299   298  O      2.544236    2.586089   -8.722999     1   299   300
300   299  H      2.456660    2.745444   -7.800111     2   298
301   300  H      2.612055    3.442399   -9.150464     2   298
302   301  O     -5.441402   -9.699441   -6.450846     1   302   303
303   302  H     -4.642097  -10.157856   -6.791971     2   301
304   303  H     -5.167040   -9.210753   -5.615439     2   301
305   304  O     -6.449785   -0.806828   -6.323358     1   305   306
306   305  H     -5.488815   -0.864604   -6.158349     2   304
307   306  H     -6.545596   -0.315811   -7.208214     2   304
308   307  O      8.424217   -0.771464   -8.195979     1   308   309
309   308  H      8.482106   -1.303432   -7.402686     2   307
310   309  H      8.859281   -1.285241   -8.871915     2   307
311   310  O      2.530119   -5.685578  -10.077092     1   311   312
312   311  H      3.132012   -6.159543   -9.470080     2   310
313   312  H      1.763182   -6.293458  -10.164882     2   310
314   313  O     -2.556088    2.533926    9.180097     1   314   315
315   314  H     -2.323963    1.852611    8.509909     2   313
316   315  H     -2.288822    2.078260   10.017865     2   313
317   316  O     -5.224189   -1.411073    0.579916     1   317   318
318   317  H     -4.909060   -1.284478    1.495217     2   316
319   318  H     -5.878828   -0.717406    0.524043     2   316
320   319  O      7.557341   -6.076948   -6.560349     1   320   321
321   320  H      7.139777   -5.797263   -5.702055     2   319
322   321  H      7.611975   -7.054305   -6.560535     2   319
323   322  O     -5.905547   -8.030285    2.487550     1   323   324
324   323  H     -5.742087   -7.876173    3.474899     2   322
325   324  H     -6.797028   -7.770930    2.295415     2   322
326   325  O     -4.600537    6.534068   -5.810577     1   326   327
327   326  H     -3.816566    6.610926   -5.168584     2   325
328   327  H     -4.604093    7.406242   -6.231186     2   325
329   328  O    -11.030374    1.862670    1.490013     1   329   330
330   329  H    -11.379131    2.773887    1.384797     2   328
331   330  H    -10.705452    1.689773    0.559755     2   328
332   331  O     -7.750349   -6.628486    6.500352     1   332   333
333   332  H     -7.252616   -7.361629    6.094079     2   331
334   333  H     -7.990108   -6.845645    7.378838     2   331
335   334  O     -1.708548    0.175397   -9.845998     1   335   336
336   335  H     -0.781074    0.282959   -9.608916     2   334
337   336  H     -2.133067    0.726522   -9.147699     2   334
338   337  O     -4.754696   -8.098575   -4.176905     1   338   339
339   338  H     -5.544540   -7.570850   -4.110825     2   337
340   339  H     -4.551857   -8.561865   -3.356046     2   337
341   340  O      4.275899    7.516592   -6.673959     1   341   342
342   341  H      4.010069    6.606390   -6.429593     2   340
343   342  H      3.622210    8.009825   -6.169069     2   340
344   343  O      2.696945   -1.360685   -0.696211     1   344   345
345   344  H      2.350145   -1.557817    0.247389     2   343
346   345  H      2.236910   -2.059828   -1.192790     2   343
347   346  O     -1.125009   -1.856606   -1.609141     1   347   348
348   347  H     -2.024502   -2.132365   -1.651209     2   346
349   348  H     -0.908072   -1.602867   -0.734063     2   346
350   349  O      2.081131    9.063139    2.919455     1   350   351
351   350  H      1.842228    8.817174    3.829913     2   349
352   351  H      2.019073    8.288133    2.373770     2   349
353   352  O     -3.956018  -11.431809   -0.042478     1   353   354
354   353  H     -4.012137  -10.958873    0.867164     2   352
355   354  H     -4.926212  -11.631590   -0.164619     2   352
356   355  O      4.757022   -3.310891    7.280342     1   356   357
357   356  H      4.729786   -2.361481    7.022032     2   355
358   357  H      5.507311   -3.356148    7.844469     2   355
359   358  O      1.326491   -3.117975   -2.563556     1   359   360
360   359  H      1.543330   -2.939476   -3.532907     2   358
361   360  H      0.383177   -2.826547   -2.461660     2   358
362   361  O     -3.663266    7.185164   -9.142224     1   362   363
363   362  H     -2.969452    7.295631   -8.459576     2   361
364   363  H     -4.157121    6.407741   -8.844222     2   361
365   364  O     -2.541168    6.940550   -0.347871     1   365   366
366   365  H     -3.135304    6.312065   -0.772892     2   364
367   366  H     -2.972105    7.769124   -0.540728     2   364
368   367  O     -1.609621    3.463401    0.074653     1   368   369
369   368  H     -2.222720    4.091622    0.444109     2   367
370   369  H     -1.538729    2.690428    0.680920     2   367
371   370  O     -8.125907    3.632477   -6.489690     1   371   372
372   371  H     -8.806612    4.220951   -6.209376     2   370
373   372  H     -7.463089    3.637415   -5.803035     2   370
374   373  O     -7.846072   -0.070565    2.870604     1   374   375
375   374  H     -7.180714    0.578169    3.004785     2   373
376   375  H     -8.177724    0.062656    1.942986     2   373
377   376  O      6.923426   -0.368493   -2.178306     1   377   378
378   377  H      7.901260   -0.411425   -1.893178     2   376
379   378  H      6.861800   -0.872732   -2.959264     2   376
380   379  O     -0.101689   11.131102    2.243777     1   380   381
381   380  H      0.814318   10.793210    2.100364     2   379
382   381  H     -0.201216   11.936397    1.672562     2   379
383   382  O      4.446379   -4.388189   -3.153265     1   383   384
384   383  H      4.337146   -4.324384   -2.188295     2   382
385   384  H      3.611604   -4.818016   -3.452906     2   382
386   385  O      5.407686    4.161322   -1.689114     1   386   387
387   386  H      5.790120    3.309682   -1.937478     2   385
388   387  H      6.093097    4.771436   -1.629921     2   385
389   388  O     -5.251552   -5.499719   10.442864     1   389   390
390   389  H     -5.878318   -6.084014   10.831428     2   388
391   390  H     -5.691788   -4.785405   10.002820     2   388
392   391  O    -12.455199    1.795382    7.518918     1   392   393
393   392  H    -12.693931    1.405398    6.691601     2   391
394   393  H    -13.220022    2.279974    7.829092     2   391
395   394  O      6.843726   -2.217442    2.427765     1   395   396
396   395  H      6.565263   -2.364772    3.342024     2   394
397   396  H      6.028165   -1.879004    2.097541     2   394
398   397  O     -2.878887    3.842405   -2.796619     1   398   399
399   398  H     -2.727691    4.722587   -3.136882     2   397
400   399  H     -2.170846    3.691607   -2.070026     2   397
401   400  O      3.111734    2.627374    4.936082     1   401   402
402   401  H      3.084668    3.233748    4.229989     2   400
403   402  H      2.586844    1.905765    4.616273     2   400
404   403  O      8.123503    1.243787    3.859870     1   404   405
405   404  H      8.253577    1.589188    4.771598     2   403
406   405  H      7.917061    2.099129    3.394149     2   403
407   406  O      6.881191   -5.669419   -4.033099     1   407   408
408   407  H      6.068435   -5.297435   -3.740160     2   406
409   408  H      7.730298   -5.243670   -3.781465     2   406
410   409  O      0.136174   -0.244345   -3.391942     1   410   411
411   410  H      1.029387   -0.053377   -2.938529     2   409
412   411  H     -0.344116   -0.743196   -2.703848     2   409
413   412  O      2.728161    1.107098   -2.138806     1   413   414
414   413  H      3.105809    0.711832   -2.925063     2   412
415   414  H      2.785482    0.420700   -1.547531     2   412
416   415  O      9.495532    2.865496   -0.262738     1   416   417
417   416  H      9.006340    3.089036    0.528308     2   415
418   417  H      9.184640    3.454916   -0.963225     2   415
419   418  O      1.886476   -2.419047   -5.208664     1   419   420
420   419  H      1.865058   -1.631675   -5.730133     2   418
421   420  H      1.809661   -3.259943   -5.690951     2   418
422   421  O      8.222408    4.212356   -2.223362     1   422   423
423   422  H      8.985947    4.404525   -2.846984     2   421
424   423  H      7.838428    3.398753   -2.621169     2   421
425   424  O     -3.539881    0.647534    6.360722     1   425   426
426   425  H     -2.695783    0.454590    6.792568     2   424
427   426  H     -4.225204    0.280466    6.950735     2   424
428   427  O      9.467818    2.379007  -13.669478     1   428   429
429   428  H      9.311699    1.999692  -12.791223     2   427
430   429  H      8.697752    2.136781  -14.212613     2   427
431   430  O     -6.433047    6.288039    4.562297     1   431   432
432   431  H     -6.217299    5.565298    5.202536     2   430
433   432  H     -5.900657    7.046686    4.756641     2   430
434   433  O      8.634048   -1.221594  -14.722920     1   434   435
435   434  H      8.836065   -0.293189  -14.536914     2   433
436   435  H      9.206038   -1.519980  -15.512101     2   433
437   436  O     -3.972651   -5.181387   -4.998148     1   437   438
438   437  H     -3.849591   -4.253885   -5.373947     2   436
439   438  H     -4.734172   -5.541766   -5.464604     2   436
440   439  O      9.572851    9.022266    7.614206     1   440   441
441   440  H      8.716784    8.859487    7.172048     2   439
442   441  H      9.600776    8.742073    8.551362     2   439
443   442  O      1.423675   -5.161557    0.269867     1   443   444
444   443  H      1.650442   -4.937602   -0.648205     2   442
445   444  H      0.578416   -5.685327    0.117794     2   442
446   445  O      2.382105   -8.018783    6.560323     1   446   447
447   446  H      2.894940   -7.465499    7.174853     2   445
448   447  H      2.101887   -8.802433    7.040725     2   445
449   448  O      4.283809   -7.955668   -5.746674     1   449   450
450   449  H      3.739735   -7.396550   -5.186345     2   448
451   450  H      4.976143   -8.200756   -5.048252     2   448
452   451  O     -4.222274    8.009749    4.751794     1   452   453
453   452  H     -3.904722    7.109085    4.993505     2   451
454   453  H     -4.028083    8.591356    5.540806     2   451
455   454  O     -3.050074    5.177170    8.385207     1   455   456
456   455  H     -2.848376    4.330776    8.812777     2   454
457   456  H     -2.428423    5.871824    8.754977     2   454
458   457  O      7.735268   -1.907738   -4.197411     1   458   459
459   458  H      7.928374   -2.722666   -3.776929     2   457
460   459  H      8.318544   -1.616214   -4.884672     2   457
461   460  O     -5.856276    5.110503   -7.822681     1   461   462
462   461  H     -6.458941    4.365639   -7.788989     2   460
463   462  H     -5.412464    5.199245   -6.985579     2   460
464   463  O     -9.777412    2.227808    8.745788     1   464   465
465   464  H    -10.694393    2.194203    8.404529     2   463
466   465  H     -9.233367    2.659411    8.081896     2   463
467   466  O     -3.272284   -8.023971    6.443381     1   467   468
468   467  H     -3.125720   -7.311735    7.093950     2   466
469   468  H     -2.539635   -8.005787    5.803985     2   466
470   469  O      3.609477    0.178814   -4.719880     1   470   471
471   470  H      3.609100   -0.778579   -4.780523     2   469
472   471  H      4.423182    0.576924   -5.004710     2   469
473   472  O      4.859992    3.584532    1.102760     1   473   474
474   473  H      4.940304    3.998328    0.213019     2   472
475   474  H      4.598768    2.647925    0.903098     2   472
476   475  O      4.192571   -4.249211   -0.445513     1   476   477
477   476  H      4.906535   -4.519436    0.112043     2   475
478   477  H      3.892571   -3.416682   -0.209429     2   475
479   478  O      8.427780    8.121242   -1.139122     1   479   480
480   479  H      7.750580    7.425791   -0.929835     2   478
481   480  H      9.217860    7.548834   -1.328214     2   478
482   481  O     -4.933887    1.940582   -6.761169     1   482   483
483   482  H     -5.297808    2.022296   -5.881294     2   481
484   483  H     -5.454868    1.449507   -7.398355     2   481
485   484  O    -10.284008    0.881423   -0.948724     1   485   486
486   485  H    -10.170469   -0.069166   -0.911186     2   484
487   486  H     -9.995118    1.204646   -1.770052     2   484
488   487  O     -1.725768   -5.636345    1.163104     1   488   489
489   488  H     -2.588523   -5.220233    0.976826     2   487
490   489  H     -1.599358   -5.446813    2.160688     2   487
491   490  O      7.236325    8.236834   12.946097     1   491   492
492   491  H      7.802527    7.420939   13.088128     2   490
493   492  H      6.367261    7.942113   12.642997     2   490
494   493  O     -1.316355   -3.518125   -5.724352     1   494   495
495   494  H     -0.931280   -3.870090   -4.854611     2   493
496   495  H     -1.094963   -2.577662   -5.549166     2   493
497   496  O     -3.853323    3.100379    5.396094     1   497   498
498   497  H     -3.701626    2.268245    5.782125     2   496
499   498  H     -3.276065    3.054994    4.648075     2   496
500   499  O     -2.264206    1.504928   -7.446043     1   500   501
501   500  H     -1.584024    1.296249   -6.815642     2   499
502   501  H     -3.062109    1.699215   -6.960571     2   499
503   502  O     -3.702939   -3.603064  -11.562244     1   503   504
504   503  H     -3.095720   -3.106087  -10.926068     2   502
505   504  H     -3.968061   -2.933005  -12.215863     2   502
506   505  O     -7.903807   -6.715337   -3.398457     1   506   507
507   506  H     -8.097096   -5.768457   -3.186314     2   505
508   507  H     -7.479843   -6.963674   -2.558981     2   505
509   508  O     -0.947600    1.184219    7.249899     1   509   510
510   509  H     -0.384737    0.679300    7.915669     2   508
511   510  H     -0.555712    2.069397    7.204483     2   508
512   511  O      0.006028   -3.056355    6.205683     1   512   513
513   512  H      0.084109   -3.159474    7.207928     2   511
514   513  H     -0.244736   -3.930081    6.000685     2   511
515   514  O      1.716606    6.598214   -2.611846     1   515   516
516   515  H      1.960813    5.785528   -2.147222     2   514
517   516  H      1.052721    7.049951   -2.063170     2   514
518   517  O     -9.160059   -7.202760    8.878925     1   518   519
519   518  H     -9.269153   -8.173789    8.931879     2   517
520   519  H     -9.921915   -6.789654    9.269201     2   517
521   520  O      7.068999    5.626520    4.812606     1   521   522
522   521  H      6.243759    6.073056    4.649837     2   520
523   522  H      7.698216    6.283431    5.150022     2   520
524   523  O      4.966218   -1.278737   -8.476198     1   524   525
525   524  H      5.613025   -1.787072   -8.906051     2   523
526   525  H      4.509893   -0.749603   -9.135902     2   523
527   526  O      6.600832    2.247717   -3.333024     1   527   528
528   527  H      6.248992    2.231387   -4.227525     2   526
529   528  H      6.537403    1.325165   -3.066283     2   526
530   529  O      3.900917   -2.119976    3.397108     1   530   531
531   530  H      3.263878   -1.756930    4.066688     2   529
532   531  H      4.476682   -2.712363    3.891168     2   529
533   532  O     10.690060    1.186925  -10.938496     1   533   534
534   533  H     10.734686    0.624646  -10.156231     2   532
535   534  H     10.752235    2.070356  -10.572177     2   532
536   535  O      6.320288   -8.302585   -3.959924     1   536   537
537   536  H      6.773938   -7.428308   -3.985627     2   535
538   537  H      7.084024   -8.885275   -4.052620     2   535
539   538  O      2.245792  -10.741497    7.233646     1   539   540
540   539  H      1.566497  -11.392104    6.937345     2   538
541   540  H      3.127418  -11.180247    7.135204     2   538
542   541  O      0.740874    6.011865   11.004960     1   542   543
543   542  H     -0.046828    5.507744   11.223776     2   541
544   543  H      0.794089    5.833471   10.015950     2   541
545   544  O     -4.908237    1.279645    2.693814     1   545   546
546   545  H     -4.581255    1.183680    3.560054     2   544
547   546  H     -5.511637    2.025231    2.682792     2   544
548   547  O     -8.743689   -4.590152    2.062465     1   548   549
549   548  H     -9.593445   -4.365153    1.746369     2   547
550   549  H     -8.710510   -5.582412    1.936030     2   547
551   550  O     -5.592028    2.747474    8.848398     1   551   552
552   551  H     -5.951855    2.662702    9.728493     2   550
553   552  H     -4.625216    2.843945    8.999000     2   550
554   553  O      6.227300   -5.553748    0.917136     1   554   555
555   554  H      6.424604   -5.494506    1.867093     2   553
556   555  H      6.507088   -6.463371    0.729860     2   553
557   556  O     -2.586698   12.062408   -0.812438     1   557   558
558   557  H     -1.767669   11.570694   -0.964610     2   556
559   558  H     -3.138149   11.529060   -0.192421     2   556
560   559  O     -8.038426    1.709776    0.566149     1   560   561
561   560  H     -7.355635    1.508949   -0.046903     2   559
562   561  H     -8.903453    1.657220    0.078574     2   559
563   562  O     -3.643869   -6.075712    4.250728     1   563   564
564   563  H     -3.725370   -6.982483    4.512478     2   562
565   564  H     -3.906149   -6.050797    3.371066     2   562
566   565  O      4.439112    7.658126    0.030647     1   566   567
567   566  H      4.686284    8.379187    0.609249     2   565
568   567  H      3.568699    7.284500    0.343624     2   565
569   568  O      1.917705   -2.787236    1.650887     1   569   570
570   569  H      2.669167   -2.867768    2.262925     2   568
571   570  H      1.897099   -3.677092    1.311700     2   568
572   571  O     -6.138128    0.472464   -1.400480     1   572   573
573   572  H     -5.212708    0.454000   -1.587277     2   571
574   573  H     -6.536774   -0.243400   -1.948674     2   571
575   574  O     -7.614729   -4.194894   12.388947     1   575   576
576   575  H     -8.188850   -3.475078   12.446376     2   574
577   576  H     -8.071449   -4.999757   12.767710     2   574
578   577  O      2.544482  -10.060781   -2.651586     1   578   579
579   578  H      2.581032   -9.913115   -3.635363     2   577
580   579  H      2.534623  -11.051079   -2.544636     2   577
581   580  O     -2.932122    4.542246    2.906073     1   581   582
582   581  H     -3.893506    4.430731    2.831338     2   580
583   582  H     -2.738277    5.506474    2.630365     2   580
584   583  O     -6.839129   -5.792934   -6.176465     1   584   585
585   584  H     -7.296599   -6.106023   -5.401561     2   583
586   585  H     -7.246877   -4.952151   -6.403822     2   583
587   586  O      4.510719    9.412053   -1.960344     1   587   588
588   587  H      5.414757    9.494945   -2.223146     2   586
589   588  H      4.587551    8.749357   -1.206903     2   586
590   589  O      6.623432    8.320674   -5.413105     1   590   591
591   590  H      5.816458    7.978112   -5.829739     2   589
592   591  H      7.270304    8.155691   -6.137743     2   589
593   592  O     -6.545081   -8.481863   -1.548073     1   593   594
594   593  H     -6.736126   -9.346807   -1.963083     2   592
595   594  H     -5.604709   -8.418473   -1.454716     2   592
596   595  O     -0.950118   -8.475931    4.909916     1   596   597
597   596  H     -1.127355   -8.566811    3.955370     2   595
598   597  H     -0.434606   -7.686992    5.074347     2   595
599   598  O     -7.041066   -2.729128    3.414347     1   599   600
600   599  H     -7.662471   -3.419794    3.213409     2   598
601   600  H     -7.437045   -1.870520    3.100632     2   598
602   601  O      2.222856  -12.667741   -1.593915     1   602   603
603   602  H      2.062444  -13.466258   -2.035920     2   601
604   603  H      2.939171  -12.818495   -0.925172     2   601
605   604  O     -7.128736    3.310843   -3.908656     1   605   606
606   605  H     -6.171042    3.046024   -3.839537     2   604
607   606  H     -7.082666    4.269110   -3.633349     2   604
608   607  O      0.183202    3.608352    7.054870     1   608   609
609   608  H      1.114783    3.832377    7.289599     2   607
610   609  H     -0.100748    4.401112    6.623315     2   607
611   610  O      8.618767   -4.117280   -2.741716     1   611   612
612   611  H      8.267616   -3.920353   -1.867733     2   610
613   612  H      9.526159   -4.426786   -2.684414     2   610
614   613  O     -3.604528   -1.332301   -6.037786     1   614   615
615   614  H     -2.820541   -1.000871   -6.542926     2   613
616   615  H     -3.748491   -2.248806   -6.235136     2   613
617   616  O      6.512026   -5.564311    3.661623     1   617   618
618   617  H      5.758067   -5.127132    4.056484     2   616
619   618  H      6.475841   -6.387010    4.160447     2   616
620   619  O     -2.474026    6.631672   -3.566124     1   620   621
621   620  H     -1.656173    7.160946   -3.855716     2   619
622   621  H     -2.981698    7.252133   -3.032544     2   619
623   622  O     -5.031744   -1.461235   10.274249     1   623   624
624   623  H     -5.081039   -1.195087    9.334476     2   622
625   624  H     -5.712746   -2.134923   10.391837     2   622
626   625  O      9.772946   -1.840676  -10.286248     1   626   627
627   626  H      9.601808   -2.335066  -11.096638     2   625
628   627  H     10.758465   -1.652845  -10.397494     2   625
629   628  O      4.998126   -8.851703    2.283288     1   629   630
630   629  H      4.591061   -8.102568    1.789364     2   628
631   630  H      5.067164   -8.495995    3.198824     2   628
632   631  O     -9.731448    6.612419    8.109712     1   632   633
633   632  H     -9.248004    6.167095    8.862396     2   631
634   633  H    -10.647139    6.725317    8.456788     2   631
635   634  O      7.434496   -2.964796    8.603621     1   635   636
636   635  H      7.593264   -2.005815    8.798888     2   634
637   636  H      7.831577   -3.204349    7.767195     2   634
638   637  O      7.490229   -5.370862   10.322500     1   638   639
639   638  H      7.749362   -4.415655   10.230045     2   637
640   639  H      6.560924   -5.494366   10.191954     2   637
641   640  O     -3.240412   -6.014250    8.257384     1   641   642
642   641  H     -3.687120   -6.038829    9.159229     2   640
643   642  H     -3.776454   -5.442603    7.650589     2   640
644   643  O      6.899446    8.701437    6.178433     1   644   645
645   644  H      6.828223    8.685511    5.226312     2   643
646   645  H      6.381568    7.951612    6.534189     2   643
647   646  O     -8.821234    4.466347    1.890763     1   647   648
648   647  H     -9.321786    4.911908    2.538059     2   646
649   648  H     -9.132555    3.547499    1.808360     2   646
650   649  O    -12.839409  -11.425498  -15.761140     1   650   651
651   650  H    -13.176395  -11.874754  -16.535848     2   649
652   651  H    -13.516479  -10.753482  -15.528300     2   649
653   652  O    -10.759318  -14.764315  -11.596053     1   653   654
654   653  H    -11.130550  -14.358514  -12.393065     2   652
655   654  H    -10.881156  -15.703333  -11.812325     2   652
656   655  O    -13.361510  -12.394292   -9.144483     1   656   657
657   656  H    -13.295653  -11.592993   -8.639503     2   655
658   657  H    -12.616379  -12.971344   -8.898877     2   655
659   658  O    -11.488724  -14.607225   -8.904024     1   659   660
660   659  H    -11.102220  -14.631284   -9.812438     2   658
661   660  H    -11.614148  -15.614092   -8.711782     2   658
662   661  O    -12.709852  -10.470888   -6.632050     1   662   663
663   662  H    -11.991675   -9.928720   -6.906430     2   661
664   663  H    -12.388361  -11.301869   -6.412819     2   661
665   664  O     -7.137839  -10.107065  -19.339612     1   665   666
666   665  H     -8.125390  -10.070864  -19.571863     2   664
667   666  H     -6.737183   -9.275003  -19.696926     2   664
668   667  O     -9.888447  -17.490851   -7.945909     1   668   669
669   668  H    -10.851099  -17.548317   -7.878119     2   667
670   669  H     -9.663065  -16.766186   -7.357107     2   667
671   670  O    -12.251562  -13.063793  -13.719891     1   671   672
672   671  H    -12.303687  -12.433016  -12.980577     2   670
673   672  H    -12.627785  -12.560215  -14.399746     2   670
674   673  O     -7.463000   -8.644642  -10.693227     1   674   675
675   674  H     -7.271537   -8.638297   -9.757865     2   673
676   675  H     -7.595839   -9.578192  -10.908681     2   673
677   676  O     -9.731766  -13.758175   -6.576725     1   677   678
678   677  H    -10.308626  -13.880683   -7.364904     2   676
679   678  H     -8.971973  -13.374447   -7.044273     2   676
680   679  O    -17.703891  -14.478361   -8.243196     1   680   681
681   680  H    -17.003280  -13.906562   -7.939527     2   679
682   681  H    -18.046279  -14.963811   -7.479485     2   679
683   682  O     -6.688174  -12.067597    0.229185     1   683   684
684   683  H     -6.679845  -12.866097   -0.355766     2   682
685   684  H     -7.464782  -11.655326    0.006013     2   682
686   685  O     11.839231    7.210427   22.574805     1   686   687
687   686  H     12.725107    7.586177   22.744687     2   685
688   687  H     11.318059    7.997646   22.333859     2   685
689   688  O    -11.774151  -12.556070    0.465257     1   689   690
690   689  H    -12.365157  -13.248928    0.200570     2   688
691   690  H    -11.685129  -12.508965    1.459740     2   688
692   691  O    -19.322563  -12.541600   -9.400437     1   692   693
693   692  H    -18.684590  -13.323349   -9.294752     2   691
694   693  H    -18.791461  -11.709657   -9.265416     2   691
695   694  O    -10.835362  -11.870548    3.121988     1   695   696
696   695  H    -10.126239  -11.268544    2.995631     2   694
697   696  H    -11.092642  -11.801396    4.010395     2   694
698   697  O     11.205378   11.388799   17.583028     1   698   699
699   698  H     10.932738   11.949272   18.352761     2   697
700   699  H     11.116703   11.999360   16.847998     2   697
701   700  O    -18.044178  -11.173683    3.943649     1   701   702
702   701  H    -18.538457  -11.448165    4.787288     2   700
703   702  H    -18.639686  -11.468728    3.270285     2   700
704   703  O    -13.569092  -13.220129    8.915975     1   704   705
705   704  H    -12.636974  -13.425977    9.111506     2   703
706   705  H    -13.660192  -13.247415    7.923558     2   703
707   706  O    -16.368439  -14.392408   -2.968374     1   707   708
708   707  H    -16.492264  -13.585195   -2.504251     2   706
709   708  H    -16.309546  -14.047866   -3.890558     2   706
710   709  O    -11.478422  -11.432627    5.845210     1   710   711
711   710  H    -11.743916  -10.489534    5.811960     2   709
712   711  H    -12.299880  -11.979905    6.038455     2   709
713   712  O    -15.615561  -16.803804    1.571337     1   713   714
714   713  H    -15.627619  -16.018921    2.119220     2   712
715   714  H    -16.339413  -16.778753    0.938602     2   712
716   715  O    -19.393031   -8.465327   -5.300429     1   716   717
717   716  H    -19.289426   -9.146092   -5.959247     2   715
718   717  H    -18.737605   -7.753997   -5.454976     2   715
719   718  O    -11.916322  -20.266591    0.332092     1   719   720
720   719  H    -12.760102  -20.140839    0.723052     2   718
721   720  H    -11.754984  -21.223233    0.249392     2   718
722   721  O    -17.155757   -9.562019    0.405794     1   722   723
723   722  H    -18.013560  -10.035271    0.600148     2   721
724   723  H    -16.722663  -10.060402   -0.342454     2   721
725   724  O    -14.508118  -10.437591    8.090106     1   725   726
726   725  H    -14.628191  -11.351100    8.225971     2   724
727   726  H    -13.591143  -10.266593    8.196215     2   724
728   727  O    -10.517636  -10.256908   -2.351135     1   728   729
729   728  H     -9.964901  -10.923224   -1.984084     2   727
730   729  H    -11.416729  -10.235887   -2.003853     2   727
731   730  O     12.629263    9.812472   19.200607     1   731   732
732   731  H     12.822883    9.056364   18.631750     2   730
733   732  H     12.201380   10.429315   18.621514     2   730
734   733  O     -8.743221  -26.286540    3.224746     1   734   735
735   734  H     -8.435042  -26.405847    4.125763     2   733
736   735  H     -9.516997  -26.871651    3.334067     2   733
737   736  O     13.292863    5.327955  -21.398841     1   737   738
738   737  H     14.074464    5.738895  -20.943118     2   736
739   738  H     12.687321    5.033634  -20.684665     2   736
740   739  O     13.393202    2.732997   24.594815     1   740   741
741   740  H     14.061539    3.302922   25.020837     2   739
742   741  H     12.493463    2.974328   24.864928     2   739
743   742  O    -13.787206  -12.666731    6.157035     1   743   744
744   743  H    -14.596538  -12.378632    5.729885     2   742
745   744  H    -13.716606  -13.535815    5.725537     2   742
746   745  O    -16.786246  -16.512401   -6.114476     1   746   747
747   746  H    -15.925072  -16.970231   -6.233922     2   745
748   747  H    -17.375955  -17.142563   -5.651513     2   745
749   748  O      6.726599   10.129553   22.501218     1   749   750
750   749  H      6.787896    9.721852   21.602387     2   748
751   750  H      7.421727   10.819230   22.513938     2   748
752   751  O    -17.899509  -16.739904    0.035176     1   752   753
753   752  H    -18.681439  -17.122447    0.453721     2   751
754   753  H    -18.009859  -17.020396   -0.891963     2   751
755   754  O    -11.878002  -15.705886    2.816308     1   755   756
756   755  H    -11.015405  -15.370289    2.583304     2   754
757   756  H    -12.238956  -15.777182    1.896397     2   754
758   757  O    -13.535512  -15.113627    5.007895     1   758   759
759   758  H    -13.408709  -15.985226    5.484938     2   757
760   759  H    -12.969267  -15.268734    4.231108     2   757
761   760  O      5.962704    9.108543   24.822747     1   761   762
762   761  H      6.278103    9.509604   24.000839     2   760
763   762  H      6.441836    8.242698   24.919301     2   760
764   763  O    -17.961800  -17.878500    2.981982     1   764   765
765   764  H    -18.156005  -18.777108    2.626652     2   763
766   765  H    -17.045779  -17.653465    2.733164     2   763
767   766  O    -19.367117  -15.609987   -5.239414     1   767   768
768   767  H    -19.580970  -14.951466   -4.542135     2   766
769   768  H    -18.381240  -15.554930   -5.288867     2   766
770   769  O     -1.380265   15.120827   24.496647     1   770   771
771   770  H     -1.689006   15.291140   25.404559     2   769
772   771  H     -1.331690   14.136252   24.419299     2   769
773   772  O    -18.925034  -11.721572   -1.527802     1   773   774
774   773  H    -19.583263  -11.009220   -1.664393     2   772
775   774  H    -18.016407  -11.387129   -1.718586     2   772
776   775  O    -14.999699  -22.770515   -1.302466     1   776   777
777   776  H    -14.586149  -23.406268   -0.688650     2   775
778   777  H    -15.814638  -23.212695   -1.622176     2   775
779   778  O    -13.368099  -13.980635   -1.248224     1   779   780
780   779  H    -13.277582  -13.343159   -1.954172     2   778
781   780  H    -14.086032  -13.670465   -0.660200     2   778
782   781  O    -21.425214  -14.864118    1.966669     1   782   783
783   782  H    -20.563866  -15.036084    2.276517     2   781
784   783  H    -21.254656  -14.765167    1.024256     2   781
785   784  O    -20.565512  -17.452690    0.845624     1   785   786
786   785  H    -20.530891  -17.681435    1.754308     2   784
787   786  H    -21.279241  -16.792888    0.686183     2   784
788   787  O    -15.069688  -17.848082    7.834386     1   788   789
789   788  H    -16.006124  -18.022447    7.852311     2   787
790   789  H    -15.026837  -16.921701    8.152493     2   787
791   790  O    -20.854332  -20.393143    0.090399     1   791   792
792   791  H    -21.564214  -21.039795    0.140634     2   790
793   792  H    -21.275682  -19.656677    0.523813     2   790
794   793  O    -15.814707  -21.604114    1.386802     1   794   795
795   794  H    -15.313729  -20.808925    1.123910     2   793
796   795  H    -15.678904  -22.195416    0.631218     2   793
797   796  O    -13.806184  -10.325435    2.158549     1   797   798
798   797  H    -13.964904   -9.514618    2.630447     2   796
799   798  H    -12.816301  -10.478727    2.182694     2   796
800   799  O    -17.047254  -17.320526   -2.665048     1   800   801
801   800  H    -16.859347  -16.448387   -3.015159     2   799
802   801  H    -16.215757  -17.734584   -2.391001     2   799
803   802  O    -15.171800  -13.708311   -7.243800     1   803   804
804   803  H    -14.693261  -14.436913   -6.797245     2   802
805   804  H    -14.685608  -13.442428   -8.039249     2   802
806   805  O    -17.734850   -7.814657   -2.164406     1   806   807
807   806  H    -18.461940   -8.448162   -2.394713     2   805
808   807  H    -16.904000   -8.303223   -2.297626     2   805
809   808  O     -7.357712  -25.983010    1.016237     1   809   810
810   809  H     -8.017151  -26.623507    0.713843     2   808
811   810  H     -7.680865  -25.837215    1.920145     2   808
812   811  O    -23.060845  -14.181136   -2.607436     1   812   813
813   812  H    -22.244092  -13.730866   -2.184469     2   811
814   813  H    -23.835982  -13.640608   -2.373428     2   811
815   814  O    -10.709497  -20.735039   -9.443492     1   815   816
816   815  H    -10.646059  -20.258622   -8.598541     2   814
817   816  H    -11.589668  -20.702530   -9.796804     2   814
818   817  O    -10.662887  -18.497465    3.831396     1   818   819
819   818  H    -10.267253  -19.178023    3.263625     2   817
820   819  H    -11.385907  -18.266587    3.341257     2   817
821   820  O    -24.337646  -14.022870    2.991866     1   821   822
822   821  H    -23.758674  -13.638524    2.325791     2   820
823   822  H    -25.159660  -13.521211    2.952450     2   820
824   823  O    -14.649823  -18.880722   -2.622743     1   824   825
825   824  H    -14.239834  -19.431427   -3.301837     2   823
826   825  H    -13.850941  -18.811731   -2.055599     2   823
827   826  O     -9.791636  -23.380818   -5.981522     1   827   828
828   827  H    -10.194580  -22.818430   -5.353736     2   826
829   828  H    -10.202901  -24.213952   -5.959970     2   826
830   829  O      0.791825   18.603543   21.701779     1   830   831
831   830  H      1.763739   18.467756   21.527933     2   829
832   831  H      0.619489   18.051162   22.480567     2   829
833   832  O    -12.597912  -17.225096   -8.051008     1   833   834
834   833  H    -13.196027  -17.236731   -8.781387     2   832
835   834  H    -12.916570  -16.538138   -7.422558     2   832
836   835  O    -18.176252  -18.662281   -4.940211     1   836   837
837   836  H    -18.028110  -18.485417   -4.051111     2   835
838   837  H    -19.082217  -19.080612   -4.961619     2   835
839   838  O    -22.938086  -16.050129   -0.222176     1   839   840
840   839  H    -22.899060  -15.747738   -1.189943     2   838
841   840  H    -23.753221  -15.678394    0.068856     2   838
842   841  O    -15.397728  -11.316579    4.254387     1   842   843
843   842  H    -16.292245  -11.224073    4.010157     2   841
844   843  H    -14.780560  -11.235534    3.560380     2   841
845   844  O    -23.225267  -12.019466   -0.047845     1   845   846
846   845  H    -24.146931  -12.022801   -0.351543     2   844
847   846  H    -22.932119  -11.081595   -0.086619     2   844
848   847  O    -19.839879  -13.121933   -3.860954     1   848   849
849   848  H    -19.504834  -12.704676   -3.025852     2   847
850   849  H    -20.370978  -12.407248   -4.266662     2   847
851   850  O     15.412202   -0.537813   23.684707     1   851   852
852   851  H     14.676406   -0.335014   24.257275     2   850
853   852  H     15.059809   -0.840381   22.811543     2   850
854   853  O    -14.929788  -12.378188    0.786381     1   854   855
855   854  H    -14.716120  -11.533716    1.210416     2   853
856   855  H    -15.406341  -12.932725    1.446969     2   853
857   856  O    -14.397245  -18.681530   -5.715285     1   857   858
858   857  H    -13.554343  -18.289697   -5.604086     2   856
859   858  H    -14.626322  -18.697958   -6.641894     2   856
860   859  O    -14.044869  -19.373263    1.643495     1   860   861
861   860  H    -14.309132  -18.440663    1.574319     2   859
862   861  H    -13.851909  -19.428846    2.612746     2   859
863   862  O    -20.588872  -13.790355   -7.168067     1   863   864
864   863  H    -20.005875  -14.286384   -6.649528     2   862
865   864  H    -20.007483  -13.270200   -7.768379     2   862
866   865  O    -18.803593  -15.095670    3.402538     1   866   867
867   866  H    -19.016349  -14.798060    4.294770     2   865
868   867  H    -18.938642  -16.062413    3.453075     2   865
869   868  O    -12.956387  -16.320568    0.248764     1   869   870
870   869  H    -13.849222  -16.620516    0.290606     2   868
871   870  H    -12.890950  -15.637439   -0.462618     2   868
872   871  O    -14.779978  -24.922599    0.417910     1   872   873
873   872  H    -15.437483  -25.468660    0.820123     2   871
874   873  H    -14.179890  -24.799740    1.197270     2   871
875   874  O      7.979000    8.351348   19.760419     1   875   876
876   875  H      8.928946    8.111323   19.922183     2   874
877   876  H      7.375293    7.595555   20.051109     2   874
878   877  O     10.297788    6.588114   24.797123     1   878   879
879   878  H     11.077499    6.806636   24.228682     2   877
880   879  H     10.122761    7.255345   25.448703     2   877
881   880  O    -14.131232  -15.904979   -3.707373     1   881   882
882   881  H    -14.288923  -16.848759   -3.762369     2   880
883   882  H    -14.971520  -15.533712   -3.291528     2   880
884   883  O    -11.362618  -16.018576   -2.451416     1   884   885
885   884  H    -10.847043  -15.898941   -3.288138     2   883
886   885  H    -12.247403  -15.601791   -2.490791     2   883
887   886  O    -10.729978  -22.182168   -3.539831     1   887   888
888   887  H    -10.256285  -21.460548   -3.169370     2   886
889   888  H    -11.666402  -22.003572   -3.363294     2   886
890   889  O    -19.211301  -11.785891    1.442285     1   890   891
891   890  H    -18.700721  -12.538398    1.118304     2   889
892   891  H    -20.107145  -12.125405    1.616697     2   889
893   892  O    -10.995911  -20.316824   -6.575448     1   893   894
894   893  H    -10.162708  -20.556573   -6.227344     2   892
895   894  H    -11.294695  -19.505550   -6.155386     2   892
896   895  O     -9.421463  -13.332528    6.626978     1   896   897
897   896  H     -9.614249  -13.716202    5.806903     2   895
898   897  H    -10.081564  -12.627372    6.788468     2   895
899   898  O    -21.005145  -13.510375   -0.882394     1   899   900
900   899  H    -20.182676  -12.947102   -1.090567     2   898
901   900  H    -21.464880  -12.981366   -0.250164     2   898
902   901  O    -22.014825   -8.007926    7.177408     1   902   903
903   902  H    -22.530262   -8.161289    6.376389     2   901
904   903  H    -21.984209   -8.876314    7.714168     2   901
905   904  O     17.002777    2.224362   22.294361     1   905   906
906   905  H     17.571430    1.450531   22.257249     2   904
907   906  H     16.072608    2.019628   22.033984     2   904
908   907  O    -13.483212  -21.938211   -3.470351     1   908   909
909   908  H    -13.798193  -22.608713   -4.049558     2   907
910   909  H    -13.890832  -22.070761   -2.652715     2   907
911   910  O    -11.838478  -18.639518   -1.877589     1   911   912
912   911  H    -11.658459  -19.102483   -1.045333     2   910
913   912  H    -11.594562  -17.671935   -1.739824     2   910
914   913  O     11.056674    3.512966   25.512771     1   914   915
915   914  H     10.393740    3.378653   26.187179     2   913
916   915  H     10.559664    3.454079   24.661566     2   913
917   916  O     -6.205233  -13.649467   -2.153107     1   917   918
918   917  H     -5.311140  -13.629842   -2.613506     2   916
919   918  H     -6.836828  -14.130775   -2.709405     2   916
920   919  O      3.376904   11.691032   24.120482     1   920   921
921   920  H      4.025807   12.311430   24.504818     2   919
922   921  H      3.915978   11.049555   23.650724     2   919
923   922  O     -7.335254  -14.308441   10.323478     1   923   924
924   923  H     -6.569103  -14.565591   10.885446     2   922
925   924  H     -7.509998  -15.024388    9.717481     2   922
926   925  O      7.007493   11.076646  -21.329502     1   926   927
927   926  H      7.905881   10.809650  -21.711669     2   925
928   927  H      7.116379   12.003607  -21.096805     2   925
929   928  O      9.759478   12.279396  -19.711553     1   929   930
930   929  H      9.843355   11.355115  -19.687716     2   928
931   930  H     10.576775   12.557345  -19.243356     2   928
932   931  O      5.794367   12.719467   18.795031     1   932   933
933   932  H      6.472883   13.190205   19.210270     2   931
934   933  H      5.268063   12.263767   19.497413     2   931
935   934  O    -17.607867  -14.005174    0.799627     1   935   936
936   935  H    -18.044355  -14.790033    0.502296     2   934
937   936  H    -17.554700  -14.113637    1.758336     2   934
938   937  O    -11.854610  -18.067930   -4.956356     1   938   939
939   938  H    -12.016444  -18.330204   -4.055301     2   937
940   939  H    -11.363995  -17.234925   -4.957623     2   937
941   940  O    -18.736696  -19.347512   -1.643882     1   941   942
942   941  H    -19.342312  -19.952671   -1.105928     2   940
943   942  H    -19.353413  -18.730059   -2.031328     2   940
944   943  O     -7.369113  -13.005090   -8.024505     1   944   945
945   944  H     -6.645647  -13.500238   -7.654834     2   943
946   945  H     -7.365371  -13.134018   -8.979899     2   943
947   946  O    -15.468056  -12.138804   10.742132     1   947   948
948   947  H    -14.721474  -12.305260   10.191669     2   946
949   948  H    -15.468914  -11.161644   10.817296     2   946
950   949  O    -12.210587  -25.460335   -0.385062     1   950   951
951   950  H    -13.179423  -25.684829   -0.460110     2   949
952   951  H    -11.962926  -25.161661   -1.291403     2   949
953   952  O    -21.309636  -11.062217   -4.748082     1   953   954
954   953  H    -21.335858  -10.978154   -5.761614     2   952
955   954  H    -22.237158  -11.327973   -4.471630     2   952
956   955  O    -13.192413  -12.089900   -3.337401     1   956   957
957   956  H    -13.196591  -11.343523   -2.716329     2   955
958   957  H    -13.971065  -12.128198   -3.832371     2   955
959   958  O    -25.479039  -13.398929   -2.119227     1   959   960
960   959  H    -26.061946  -13.533476   -2.846652     2   958
961   960  H    -25.922003  -12.645992   -1.613413     2   958
962   961  O    -11.685236  -12.854538   -5.424616     1   962   963
963   962  H    -10.737303  -12.926080   -5.487761     2   961
964   963  H    -11.865808  -12.342483   -4.606258     2   961
965   964  O    -12.841383  -15.365809   -6.089562     1   965   966
966   965  H    -13.209795  -15.441866   -5.172677     2   964
967   966  H    -12.346566  -14.588048   -5.944118     2   964
968   967  O    -19.523096  -14.512285    6.079083     1   968   969
969   968  H    -18.835355  -14.621244    6.726643     2   967
970   969  H    -19.675259  -13.562963    5.990032     2   967
971   970  O     -9.169251  -26.560194   -2.460552     1   971   972
972   971  H     -9.744008  -25.738675   -2.490101     2   970
973   972  H     -9.300638  -26.917243   -1.572899     2   970
974   973  O    -13.622663  -19.752075    4.248674     1   974   975
975   974  H    -13.267473  -19.126870    4.924137     2   973
976   975  H    -12.766769  -20.307937    4.155487     2   973
977   976  O      5.302577   15.717937   18.418838     1   977   978
978   977  H      5.126620   14.746596   18.302874     2   976
979   978  H      6.284709   15.730918   18.574157     2   976
980   979  O    -11.639361  -21.926949    3.602393     1   980   981
981   980  H    -12.215971  -22.632396    3.781950     2   979
982   981  H    -11.657402  -21.909642    2.647345     2   979
983   982  O    -15.694183  -14.664580    3.315866     1   983   984
984   983  H    -16.530395  -14.790778    3.722805     2   982
985   984  H    -15.116040  -15.016771    4.017610     2   982
986   985  O     12.619263   12.178799  -15.797932     1   986   987
987   986  H     13.058906   12.931214  -15.426743     2   985
988   987  H     13.052404   11.406847  -15.367110     2   985
989   988  O    -18.840237   -9.890010    7.928957     1   989   990
990   989  H    -19.140905   -8.997283    8.003783     2   988
991   990  H    -18.697266  -10.119915    8.851351     2   988
992   991  O     -6.734871   -9.746176   16.227659     1   992   993
993   992  H     -5.743754   -9.828132   16.297690     2   991
994   993  H     -6.971444   -9.874714   17.121469     2   991
995   994  O     10.870807   14.494967  -15.424018     1   995   996
996   995  H     11.139486   13.544500  -15.406741     2   994
997   996  H     11.577772   14.886786  -15.962631     2   994
998   997  O     -9.601689  -12.526342   11.195317     1   998   999
999   998  H     -9.833694  -13.085202   10.457279     2   997
1000   999  H     -8.748828  -12.911977   11.557617     2   997
1001  1000  O    -12.583461  -15.564392   13.262429     1  1001  1002
1002  1001  H    -12.819630  -14.639151   13.400019     2  1000
1003  1002  H    -12.189954  -15.836612   14.071624     2  1000
1004  1003  O    -15.259509  -15.468175    9.334244     1  1004  1005
1005  1004  H    -14.681796  -14.659007    9.365439     2  1003
1006  1005  H    -15.413265  -15.679189   10.292977     2  1003
1007  1006  O     14.134735    9.074529  -17.761358     1  1007  1008
1008  1007  H     14.448667    8.138195  -17.734054     2  1006
1009  1008  H     13.836441    9.193585  -18.641491     2  1006
1010  1009  O     -6.829043  -15.728958   17.661019     1  1010  1011
1011  1010  H     -6.612241  -15.542048   18.584146     2  1009
1012  1011  H     -7.366340  -16.505052   17.627915     2  1009
1013  1012  O    -10.972128  -14.098255    9.391195     1  1013  1014
1014  1013  H    -10.275626  -14.555267    8.902087     2  1012
1015  1014  H    -11.203616  -14.841983    9.921905     2  1012
1016  1015  O     -7.941176  -12.817151   16.828069     1  1016  1017
1017  1016  H     -8.207596  -12.289557   17.531887     2  1015
1018  1017  H     -7.944454  -12.260410   15.973282     2  1015
1019  1018  O    -11.430471  -16.135034   10.881106     1  1019  1020
1020  1019  H    -11.814988  -15.928150   11.734065     2  1018
1021  1020  H    -10.550269  -16.504779   11.104855     2  1018
1022  1021  O     11.588084  -22.364698    7.822521     1  1022  1023
1023  1022  H     11.051678  -21.597916    7.535422     2  1021
1024  1023  H     12.090536  -21.998816    8.574087     2  1021
1025  1024  O    -15.807228  -12.023986  -12.669263     1  1025  1026
1026  1025  H    -16.077939  -11.335223  -12.033858     2  1024
1027  1026  H    -14.832481  -12.051796  -12.439117     2  1024
1028  1027  O    -24.352107    2.312630  -12.603086     1  1028  1029
1029  1028  H    -24.487945    1.542011  -12.036811     2  1027
1030  1029  H    -24.275774    3.074169  -12.012757     2  1027
1031  1030  O    -11.650403    2.925532   25.387270     1  1031  1032
1032  1031  H    -11.457415    2.985300   24.459398     2  1030
1033  1032  H    -11.482141    1.976359   25.519675     2  1030
1034  1033  O    -13.030582    5.320609  -17.904189     1  1034  1035
1035  1034  H    -13.559631    4.618953  -18.340269     2  1033
1036  1035  H    -12.112100    4.967640  -17.947806     2  1033
1037  1036  O     -8.733875    6.918866  -12.181549     1  1037  1038
1038  1037  H     -9.264250    6.568082  -12.902648     2  1036
1039  1038  H     -7.964150    7.217911  -12.601133     2  1036
1040  1039  O    -21.355093    5.107156  -10.763888     1  1040  1041
1041  1040  H    -20.481151    5.377953  -10.972814     2  1039
1042  1041  H    -21.458884    4.349111  -11.325751     2  1039
1043  1042  O    -15.466584    5.148858  -12.527715     1  1043  1044
1044  1043  H    -15.733643    5.783797  -11.873194     2  1042
1045  1044  H    -16.198316    4.512441  -12.646328     2  1042
1046  1045  O     15.247398  -19.685117    6.338905     1  1046  1047
1047  1046  H     15.545077  -18.868748    5.933426     2  1045
1048  1047  H     14.542147  -20.010418    5.770930     2  1045
1049  1048  O    -16.410829    2.237430  -10.648490     1  1049  1050
1050  1049  H    -16.932862    3.045968  -10.730549     2  1048
1051  1050  H    -16.208986    2.206753   -9.674472     2  1048
1052  1051  O      0.527714   27.513840   13.432635     1  1052  1053
1053  1052  H      1.261452   27.309229   12.847345     2  1051
1054  1053  H     -0.161375   27.948808   12.871468     2  1051
1055  1054  O    -13.163182   -2.483028  -13.025941     1  1055  1056
1056  1055  H    -13.259857   -2.567439  -14.004410     2  1054
1057  1056  H    -13.587752   -1.683530  -12.784777     2  1054
1058  1057  O    -20.449768   -5.516629   -9.610967     1  1058  1059
1059  1058  H    -21.002847   -5.586035   -8.770741     2  1057
1060  1059  H    -21.121601   -5.269928  -10.324138     2  1057
1061  1060  O    -19.069006   -7.276150  -13.040435     1  1061  1062
1062  1061  H    -18.493352   -7.409609  -12.264661     2  1060
1063  1062  H    -19.029418   -8.074148  -13.550710     2  1060
1064  1063  O    -12.363864   -2.912963  -15.855499     1  1064  1065
1065  1064  H    -11.921709   -2.103971  -16.019264     2  1063
1066  1065  H    -13.213481   -2.872808  -16.314666     2  1063
1067  1066  O    -14.678001    7.823250  -13.457607     1  1067  1068
1068  1067  H    -14.262857    7.227487  -14.041528     2  1066
1069  1068  H    -14.601721    7.447256  -12.548793     2  1066
1070  1069  O     -9.798438    2.822276  -24.581188     1  1070  1071
1071  1070  H     -8.957691    2.536690  -24.913894     2  1069
1072  1071  H     -9.459216    3.423934  -23.872591     2  1069
1073  1072  O    -10.821897   -9.345968  -12.537807     1  1073  1074
1074  1073  H    -10.751962   -9.379953  -13.470502     2  1072
1075  1074  H    -10.616700   -8.387533  -12.252616     2  1072
1076  1075  O    -13.791690   -5.713666   -9.898378     1  1076  1077
1077  1076  H    -13.849074   -4.783745   -9.725082     2  1075
1078  1077  H    -13.204150   -5.812917  -10.629951     2  1075
1079  1078  O    -14.986595   -8.074029  -12.506661     1  1079  1080
1080  1079  H    -14.033575   -8.069707  -12.321989     2  1078
1081  1080  H    -15.362981   -7.160497  -12.508729     2  1078
1082  1081  O    -11.210095   -6.837405  -18.822282     1  1082  1083
1083  1082  H    -11.105387   -6.026646  -18.292356     2  1081
1084  1083  H    -11.588555   -6.491333  -19.635131     2  1081
1085  1084  O    -12.650494    5.097932  -12.279612     1  1085  1086
1086  1085  H    -13.589375    5.095597  -12.410781     2  1084
1087  1086  H    -12.489428    5.202432  -11.375431     2  1084
1088  1087  O    -13.277356    2.623399  -24.252683     1  1088  1089
1089  1088  H    -13.002360    3.445346  -24.718681     2  1087
1090  1089  H    -12.842322    2.706758  -23.375610     2  1087
1091  1090  O      6.524606  -26.888028    7.668053     1  1091  1092
1092  1091  H      6.303110  -26.944381    8.590093     2  1090
1093  1092  H      7.137136  -27.603595    7.507062     2  1090
1094  1093  O     -9.929651   -1.895969  -14.876388     1  1094  1095
1095  1094  H     -9.160676   -1.957996  -15.414585     2  1093
1096  1095  H    -10.457376   -1.167863  -15.197192     2  1093
1097  1096  O    -15.802719   -0.117107  -12.280666     1  1097  1098
1098  1097  H    -15.563068   -0.562596  -11.442775     2  1096
1099  1098  H    -16.161187    0.790457  -12.048052     2  1096
1100  1099  O    -24.589443   -0.209392  -11.965087     1  1100  1101
1101  1100  H    -25.205786   -0.367758  -11.231624     2  1099
1102  1101  H    -24.540002   -0.935811  -12.566272     2  1099
1103  1102  O    -24.336488   -2.793503  -13.238545     1  1103  1104
1104  1103  H    -25.094710   -2.924571  -13.906045     2  1102
1105  1104  H    -23.509206   -2.834536  -13.802891     2  1102
1106  1105  O      7.682821   26.059232    7.447007     1  1106  1107
1107  1106  H      7.568973   25.746994    8.353407     2  1105
1108  1107  H      8.652368   26.305499    7.390637     2  1105
1109  1108  O      9.108371   19.977178    7.208143     1  1109  1110
1110  1109  H      8.580793   20.221204    7.990708     2  1108
1111  1110  H     10.051778   20.215535    7.293306     2  1108
1112  1111  O      8.572209   18.864396   12.790420     1  1112  1113
1113  1112  H      9.258169   18.970660   12.141512     2  1111
1114  1113  H      8.446818   17.921465   12.877726     2  1111
1115  1114  O    -17.736764   -2.123896  -12.294216     1  1115  1116
1116  1115  H    -17.369501   -1.162583  -12.346698     2  1114
1117  1116  H    -17.159036   -2.543063  -11.630430     2  1114
1118  1117  O    -18.820537   -1.678915   -8.691243     1  1118  1119
1119  1118  H    -18.929002   -1.077063   -9.399317     2  1117
1120  1119  H    -18.594660   -2.551026   -8.905610     2  1117
1121  1120  O    -21.699356   -3.035204  -14.399742     1  1121  1122
1122  1121  H    -20.977712   -2.431256  -14.008590     2  1120
1123  1122  H    -21.300385   -3.869561  -14.597755     2  1120
1124  1123  O    -17.186147   -4.675415  -13.688212     1  1124  1125
1125  1124  H    -17.757078   -3.966540  -13.415662     2  1123
1126  1125  H    -17.664301   -5.523565  -13.335296     2  1123
1127  1126  O    -14.280570    3.679922  -19.771030     1  1127  1128
1128  1127  H    -15.087070    3.995653  -20.255368     2  1126
1129  1128  H    -13.744226    3.212024  -20.388446     2  1126
1130  1129  O      9.449028   27.615470    4.204752     1  1130  1131
1131  1130  H      8.503406   27.752758    4.458190     2  1129
1132  1131  H      9.460347   27.796013    3.270728     2  1129
1133  1132  O    -18.082970   -4.356970   -8.794831     1  1133  1134
1134  1133  H    -18.943034   -4.670943   -9.209414     2  1132
1135  1134  H    -17.913104   -4.810825   -7.963528     2  1132
1136  1135  O    -12.169765    3.193310  -21.837708     1  1136  1137
1137  1136  H    -12.095744    4.146325  -21.624567     2  1135
1138  1137  H    -11.285222    2.839411  -21.792971     2  1135
1139  1138  O    -11.166437   -4.386524  -14.170038     1  1139  1140
1140  1139  H    -10.859554   -3.453753  -14.219864     2  1138
1141  1140  H    -11.982085   -4.404818  -14.655233     2  1138
1142  1141  O    -19.376832    0.384742  -15.380869     1  1142  1143
1143  1142  H    -19.616680    0.101262  -14.474327     2  1141
1144  1143  H    -20.263871    0.423011  -15.905707     2  1141
1145  1144  O     -9.666890    1.441629  -12.589679     1  1145  1146
1146  1145  H    -10.393988    1.913784  -12.985816     2  1144
1147  1146  H     -9.951408    1.438804  -11.652638     2  1144
1148  1147  O    -17.585841   -1.457850  -16.725266     1  1148  1149
1149  1148  H    -17.533273   -1.140668  -17.601406     2  1147
1150  1149  H    -18.407559   -0.997290  -16.383170     2  1147
1151  1150  O    -12.642089  -11.368791  -11.578494     1  1151  1152
1152  1151  H    -12.936251  -11.731847  -10.746674     2  1150
1153  1152  H    -12.102288  -10.584813  -11.510310     2  1150
1154  1153  O    -14.989448   -2.871904  -16.303964     1  1154  1155
1155  1154  H    -15.296474   -2.208300  -15.693872     2  1153
1156  1155  H    -15.500209   -3.631310  -15.961438     2  1153
1157  1156  O    -10.894125    6.328997  -13.842560     1  1157  1158
1158  1157  H    -10.649145    5.827706  -14.601538     2  1156
1159  1158  H    -11.611507    5.886622  -13.432871     2  1156
1160  1159  O     -1.399689   24.928137   12.928252     1  1160  1161
1161  1160  H     -2.358765   24.973963   13.167004     2  1159
1162  1161  H     -0.874333   25.330705   13.617755     2  1159
1163  1162  O    -16.751548    0.819550  -21.634672     1  1163  1164
1164  1163  H    -16.036578    0.307360  -21.974474     2  1162
1165  1164  H    -17.451650    0.767162  -22.284516     2  1162
1166  1165  O    -20.114588   -5.254528  -14.935390     1  1166  1167
1167  1166  H    -20.714325   -5.821807  -15.385891     2  1165
1168  1167  H    -19.957345   -5.703026  -14.117961     2  1165
1169  1168  O     16.358811   16.931416    8.169727     1  1169  1170
1170  1169  H     16.181262   16.796825    9.125864     2  1168
1171  1170  H     16.951953   17.658942    8.098964     2  1168
1172  1171  O    -11.020752    0.053446   25.521671     1  1172  1173
1173  1172  H    -11.528583   -0.239529   26.306936     2  1171
1174  1173  H    -11.224516   -0.531702   24.811922     2  1171
1175  1174  O    -11.719481   -4.908704  -11.603421     1  1175  1176
1176  1175  H    -11.496522   -4.244456  -10.898138     2  1174
1177  1176  H    -11.480988   -4.616034  -12.534096     2  1174
1178  1177  O    -22.987877   -8.960306   -8.987645     1  1178  1179
1179  1178  H    -22.530401   -8.639262   -9.807386     2  1177
1180  1179  H    -23.644429   -8.335160   -8.637775     2  1177
1181  1180  O    -14.162507    1.126509  -18.565903     1  1181  1182
1182  1181  H    -14.685377    0.562729  -17.981027     2  1180
1183  1182  H    -14.603295    1.943079  -18.784630     2  1180
1184  1183  O     14.085079   23.484062    3.465248     1  1184  1185
1185  1184  H     13.234604   23.174677    3.114723     2  1183
1186  1185  H     14.730351   22.874543    3.128943     2  1183
1187  1186  O    -19.904802    4.328915  -16.241411     1  1187  1188
1188  1187  H    -20.564826    3.670153  -16.474603     2  1186
1189  1188  H    -20.452076    4.989886  -15.723938     2  1186
1190  1189  O    -17.637070   -1.116564  -19.526484     1  1190  1191
1191  1190  H    -16.865552   -1.707163  -19.532622     2  1189
1192  1191  H    -17.405200   -0.482248  -20.226050     2  1189
1193  1192  O    -17.542398   -4.712981  -19.521786     1  1193  1194
1194  1193  H    -16.816817   -4.180258  -19.173676     2  1192
1195  1194  H    -18.183081   -4.778573  -18.797823     2  1192
1196  1195  O    -15.288532    3.389733  -16.090459     1  1196  1197
1197  1196  H    -15.259813    4.217894  -16.637923     2  1195
1198  1197  H    -16.217585    3.103093  -16.082689     2  1195
1199  1198  O    -14.963167   -1.436821   -9.952529     1  1199  1200
1200  1199  H    -15.377280   -2.265995  -10.193542     2  1198
1201  1200  H    -15.351817   -1.116336   -9.096759     2  1198
1202  1201  O    -15.431565   -2.793371  -19.107749     1  1202  1203
1203  1202  H    -14.597290   -2.733444  -19.594976     2  1201
1204  1203  H    -15.018736   -2.693725  -18.178025     2  1201
1205  1204  O    -14.103064    5.974047  -15.325867     1  1205  1206
1206  1205  H    -14.050165    6.256738  -16.257158     2  1204
1207  1206  H    -13.395056    5.318313  -15.093152     2  1204
1208  1207  O    -11.400826    5.947045  -21.294675     1  1208  1209
1209  1208  H    -11.934957    6.694717  -21.553669     2  1207
1210  1209  H    -10.710340    5.957306  -21.972910     2  1207
1211  1210  O    -27.763185    0.666577  -11.955985     1  1211  1212
1212  1211  H    -28.054134    1.558996  -12.184908     2  1210
1213  1212  H    -27.399095    0.247994  -12.847569     2  1210
1214  1213  O    -14.400024   -4.930584  -13.012762     1  1214  1215
1215  1214  H    -14.045564   -4.038218  -12.902178     2  1213
1216  1215  H    -15.119493   -4.906937  -13.666443     2  1213
1217  1216  O    -15.639905   -0.597968  -14.939334     1  1217  1218
1218  1217  H    -16.494741   -0.852569  -15.278023     2  1216
1219  1218  H    -15.740475   -0.571372  -13.973260     2  1216
1220  1219  O    -11.610660   -0.079239  -16.300494     1  1220  1221
1221  1220  H    -12.090513    0.721674  -16.085464     2  1219
1222  1221  H    -10.789815    0.200570  -16.708855     2  1219
1223  1222  O    -14.944022   -8.316601  -17.867974     1  1223  1224
1224  1223  H    -15.162794   -8.065010  -18.780216     2  1222
1225  1224  H    -13.965084   -8.448017  -17.812094     2  1222
1226  1225  O     13.414474  -26.445018    1.417842     1  1226  1227
1227  1226  H     13.573325  -25.564793    1.005755     2  1225
1228  1227  H     13.663846  -26.360294    2.316484     2  1225
1229  1228  O    -11.445680    2.261435  -18.383801     1  1229  1230
1230  1229  H    -10.791021    1.582265  -18.041810     2  1228
1231  1230  H    -12.217161    1.701101  -18.668361     2  1228
1232  1231  O    -10.236802    1.243132  -21.942286     1  1232  1233
1233  1232  H    -10.640609    0.973522  -22.789013     2  1231
1234  1233  H    -10.329067    0.450184  -21.445368     2  1231
1235  1234  O    -23.223897    2.472566  -15.391703     1  1235  1236
1236  1235  H    -23.802165    3.082496  -15.850502     2  1234
1237  1236  H    -23.613353    2.368290  -14.543791     2  1234
1238  1237  O    -12.024113   -5.672508  -21.176870     1  1238  1239
1239  1238  H    -12.735652   -6.024954  -21.733465     2  1237
1240  1239  H    -12.302489   -4.760678  -21.053644     2  1237
1241  1240  O     -8.737147   -1.207351   26.912740     1  1241  1242
1242  1241  H     -7.948771   -0.664707   27.139627     2  1240
1243  1242  H     -9.299161   -0.717627   26.327221     2  1240
1244  1243  O    -10.763232    8.866893  -15.207424     1  1244  1245
1245  1244  H    -10.696495    9.523117  -14.549229     2  1243
1246  1245  H    -10.858442    8.080755  -14.622231     2  1243
1247  1246  O    -14.891597   -9.991345  -14.581859     1  1247  1248
1248  1247  H    -15.169236  -10.846272  -14.151859     2  1246
1249  1248  H    -14.937760   -9.370227  -13.797624     2  1246
1250  1249  O      3.670776  -17.585709   20.249605     1  1250  1251
1251  1250  H      4.332881  -16.941071   19.894431     2  1249
1252  1251  H      2.903119  -17.377502   19.762761     2  1249
1253  1252  O     13.780568   20.886411    5.790072     1  1253  1254
1254  1253  H     14.187825   20.057762    5.571459     2  1252
1255  1254  H     13.178494   21.167110    5.061774     2  1252
1256  1255  O      2.969170  -21.003876   15.272124     1  1256  1257
1257  1256  H      3.307113  -21.440198   14.450975     2  1255
1258  1257  H      3.693586  -20.663695   15.834311     2  1255
1259  1258  O    -19.416776  -10.405086  -11.613183     1  1259  1260
1260  1259  H    -19.613669  -10.130268  -10.733691     2  1258
1261  1260  H    -18.459922  -10.568082  -11.674131     2  1258
1262  1261  O    -12.126387   -2.293437  -25.906838     1  1262  1263
1263  1262  H    -12.773295   -2.993207  -25.714795     2  1261
1264  1263  H    -11.268801   -2.644936  -26.184478     2  1261
1265  1264  O    -12.566063   -0.976272  -18.774032     1  1265  1266
1266  1265  H    -13.150241   -0.327661  -19.173700     2  1264
1267  1266  H    -12.232119   -0.596675  -17.948374     2  1264
1268  1267  O    -14.871220   -1.016127  -22.555758     1  1268  1269
1269  1268  H    -14.348363   -0.722650  -23.322595     2  1267
1270  1269  H    -15.398083   -1.768545  -22.932108     2  1267
1271  1270  O     14.224526  -20.184511    2.512276     1  1271  1272
1272  1271  H     13.236827  -20.045700    2.561230     2  1270
1273  1272  H     14.596087  -19.542472    3.129440     2  1270
1274  1273  O    -11.850637    5.406736   -9.718463     1  1274  1275
1275  1274  H    -12.688432    5.613409   -9.285976     2  1273
1276  1275  H    -11.633047    4.496191   -9.412747     2  1273
1277  1276  O    -20.214324   -1.140677  -13.217132     1  1277  1278
1278  1277  H    -20.886396   -0.776335  -12.663354     2  1276
1279  1278  H    -19.523261   -1.562812  -12.721656     2  1276
1280  1279  O    -18.495216    0.254172  -10.834339     1  1280  1281
1281  1280  H    -17.797724    0.855299  -10.540776     2  1279
1282  1281  H    -19.169406    0.860735  -11.159577     2  1279
1283  1282  O    -16.151424   -3.682304  -10.551695     1  1283  1284
1284  1283  H    -16.883762   -4.123980  -10.083168     2  1282
1285  1284  H    -15.659344   -4.316321  -11.038223     2  1282
1286  1285  O    -13.640613    1.406837  -14.994692     1  1286  1287
1287  1286  H    -14.205568    0.621826  -15.112333     2  1285
1288  1287  H    -14.135300    2.165631  -15.291666     2  1285
1289  1288  O    -12.782866   -0.113405  -24.229937     1  1289  1290
1290  1289  H    -12.348570   -0.756438  -24.926356     2  1288
1291  1290  H    -12.666112    0.788142  -24.640769     2  1288
1292  1291  O    -16.135021   -5.742171  -16.583173     1  1292  1293
1293  1292  H    -16.574471   -6.205695  -15.896089     2  1291
1294  1293  H    -16.330527   -6.150011  -17.389251     2  1291
1295  1294  O     18.870223  -20.906905   -1.375857     1  1295  1296
1296  1295  H     18.300893  -20.428966   -0.799731     2  1294
1297  1296  H     19.635198  -20.889005   -0.775541     2  1294
1298  1297  O    -16.529438  -10.109763  -10.959758     1  1298  1299
1299  1298  H    -16.684024   -9.186967  -11.119657     2  1297
1300  1299  H    -16.232472  -10.138069  -10.038354     2  1297
1301  1300  O    -18.073941    5.490795   -8.900067     1  1301  1302
1302  1301  H    -18.058248    5.815024   -9.789850     2  1300
1303  1302  H    -17.819774    6.179064   -8.273309     2  1300
1304  1303  O      5.054941   25.652787   11.137141     1  1304  1305
1305  1304  H      5.356687   25.393590   12.011163     2  1303
1306  1305  H      5.562692   25.011196   10.564086     2  1303
1307  1306  O    -20.658457    2.337772  -12.170396     1  1307  1308
1308  1307  H    -21.180612    2.273196  -13.002486     2  1306
1309  1308  H    -21.071989    1.584853  -11.696460     2  1306
1310  1309  O    -12.063813   -8.998068  -17.494387     1  1310  1311
1311  1310  H    -11.466436   -9.075016  -16.758547     2  1309
1312  1311  H    -11.712889   -8.318942  -18.093025     2  1309
1313  1312  O     -9.138552    6.033099  -22.843873     1  1313  1314
1314  1313  H     -8.682066    5.169441  -22.982441     2  1312
1315  1314  H     -8.450689    6.720822  -22.827152     2  1312
1316  1315  O      1.562267   19.040646   18.074636     1  1316  1317
1317  1316  H      1.958106   18.221430   18.465559     2  1315
1318  1317  H      1.917844   19.073706   17.129091     2  1315
1319  1318  O     17.517501  -20.617570    2.871854     1  1319  1320
1320  1319  H     16.882630  -21.130400    3.338605     2  1318
1321  1320  H     18.404887  -20.815692    3.073276     2  1318
1322  1321  O      6.334597   12.600783   16.016938     1  1322  1323
1323  1322  H      6.815474   11.800730   15.743430     2  1321
1324  1323  H      6.117736   12.452933   16.937323     2  1321
1325  1324  O    -17.875864    3.481618  -12.822349     1  1325  1326
1326  1325  H    -18.785484    3.265745  -12.712153     2  1324
1327  1326  H    -17.623624    3.139385  -13.705882     2  1324
1328  1327  O     -9.522049   -9.304224  -20.825480     1  1328  1329
1329  1328  H     -9.129010   -8.367655  -20.668333     2  1327
1330  1329  H     -8.931738   -9.674916  -21.472536     2  1327
1331  1330  O    -12.598501   -7.193096  -13.366021     1  1331  1332
1332  1331  H    -13.067784   -6.889723  -14.108451     2  1330
1333  1332  H    -12.094921   -6.431682  -13.056193     2  1330
1334  1333  O    -21.811995    0.025980  -11.438037     1  1334  1335
1335  1334  H    -21.539057   -0.281201  -10.566167     2  1333
1336  1335  H    -22.793168    0.007239  -11.361111     2  1333
1337  1336  O    -16.745967   -8.470662  -15.815830     1  1337  1338
1338  1337  H    -16.174848   -8.424016  -16.578762     2  1336
1339  1338  H    -16.407086   -9.218393  -15.334772     2  1336
1340  1339  O    -10.983014   -2.283337  -10.390450     1  1340  1341
1341  1340  H    -10.929698   -1.448043   -9.852359     2  1339
1342  1341  H    -10.378044   -2.084761  -11.112049     2  1339
1343  1342  O     -8.935259   -4.492998   -9.860445     1  1343  1344
1344  1343  H     -9.326880   -3.600843   -9.929970     2  1342
1345  1344  H     -9.294028   -5.079381   -9.210797     2  1342
1346  1345  O      2.790490   19.212061   15.360638     1  1346  1347
1347  1346  H      3.188515   18.433572   15.842283     2  1345
1348  1347  H      2.100020   18.924987   14.818093     2  1345
1349  1348  O    -11.631127    2.851387  -13.754059     1  1349  1350
1350  1349  H    -12.292023    2.230692  -14.116141     2  1348
1351  1350  H    -12.113654    3.430749  -13.126412     2  1348
1352  1351  O    -10.227082    5.137093   -1.883131     1  1352  1353
1353  1352  H    -10.010644    4.207137   -1.942812     2  1351
1354  1353  H    -10.345984    5.468049   -1.002825     2  1351
1355  1354  O    -18.108083   -8.592263    4.911090     1  1355  1356
1356  1355  H    -17.742186   -8.612495    5.801704     2  1354
1357  1356  H    -18.090139   -9.581540    4.623235     2  1354
1358  1357  O    -26.942407   -3.614496    9.850326     1  1358  1359
1359  1358  H    -26.942864   -3.191647   10.729902     2  1357
1360  1359  H    -26.261609   -4.293531    9.973157     2  1357
1361  1360  O    -11.264833   -1.753118   -5.491583     1  1361  1362
1362  1361  H    -12.061366   -1.906569   -4.995697     2  1360
1363  1362  H    -10.510867   -1.634940   -4.811377     2  1360
1364  1363  O    -10.481651    6.644163    0.779585     1  1364  1365
1365  1364  H    -11.065746    7.420509    0.596987     2  1363
1366  1365  H    -10.529890    6.505480    1.786797     2  1363
1367  1366  O    -23.930132  -10.980550   -3.614141     1  1367  1368
1368  1367  H    -24.543245  -11.491976   -3.004085     2  1366
1369  1368  H    -24.035546  -10.083458   -3.307001     2  1366
1370  1369  O    -24.076118   -5.339190    4.096895     1  1370  1371
1371  1370  H    -24.098831   -5.272425    5.061910     2  1369
1372  1371  H    -24.617412   -4.577908    3.782491     2  1369
1373  1372  O    -20.090435   10.606572   -6.378199     1  1373  1374
1374  1373  H    -20.615229    9.958521   -6.858971     2  1372
1375  1374  H    -20.497816   10.747452   -5.503166     2  1372
1376  1375  O    -22.245489   -1.274360   -3.128567     1  1376  1377
1377  1376  H    -21.493889   -0.685651   -3.324463     2  1375
1378  1377  H    -22.763819   -1.265440   -3.968976     2  1375
1379  1378  O    -24.412761   -5.973526    0.335470     1  1379  1380
1380  1379  H    -23.609126   -6.459435    0.601861     2  1378
1381  1380  H    -24.258486   -5.704436   -0.575629     2  1378
1382  1381  O    -10.830743    5.507792    3.239949     1  1382  1383
1383  1382  H    -10.537344    5.940615    4.070007     2  1381
1384  1383  H    -11.451530    4.840950    3.521860     2  1381
1385  1384  O    -16.452347    4.816073   -5.115569     1  1385  1386
1386  1385  H    -16.332295    5.470111   -5.814616     2  1384
1387  1386  H    -15.740758    4.173503   -5.310080     2  1384
1388  1387  O    -17.993942    4.832785    6.792965     1  1388  1389
1389  1388  H    -18.165796    4.327200    7.579283     2  1387
1390  1389  H    -17.203850    4.358031    6.468094     2  1387
1391  1390  O    -16.004809    6.094437   10.578241     1  1391  1392
1392  1391  H    -16.657491    6.796545   10.642057     2  1390
1393  1392  H    -15.453902    6.371244    9.747414     2  1390
1394  1393  O    -13.347706    4.475463   -1.754898     1  1394  1395
1395  1394  H    -12.739697    4.893745   -2.346880     2  1393
1396  1395  H    -14.209009    4.826353   -1.831440     2  1393
1397  1396  O    -14.622106    6.931114    7.919532     1  1397  1398
1398  1397  H    -14.954168    7.680022    7.462323     2  1396
1399  1398  H    -14.639656    6.183808    7.352141     2  1396
1400  1399  O    -27.482698    5.489949   -7.061235     1  1400  1401
1401  1400  H    -28.216915    5.691991   -6.464506     2  1399
1402  1401  H    -26.648004    5.744673   -6.621923     2  1399
1403  1402  O    -26.277626   -2.012234    7.513099     1  1403  1404
1404  1403  H    -27.025951   -1.417946    7.460249     2  1402
1405  1404  H    -26.387260   -2.449889    8.330026     2  1402
1406  1405  O    -12.674591   -0.272801    2.272502     1  1406  1407
1407  1406  H    -12.117673    0.452378    1.886377     2  1405
1408  1407  H    -12.483326   -0.217447    3.233105     2  1405
1409  1408  O    -17.864814   -5.723031   10.168844     1  1409  1410
1410  1409  H    -16.988049   -5.787603    9.771182     2  1408
1411  1410  H    -18.333017   -5.223468    9.425521     2  1408
1412  1411  O    -16.002649    5.534629   -2.469554     1  1412  1413
1413  1412  H    -16.306255    5.286209   -3.423482     2  1411
1414  1413  H    -16.825534    5.539482   -1.960804     2  1411
1415  1414  O    -26.262694   -8.711676   -3.077753     1  1415  1416
1416  1415  H    -25.638600   -8.035643   -3.171882     2  1414
1417  1416  H    -26.752605   -8.414843   -2.320257     2  1414
1418  1417  O    -25.726246  -10.960188   -0.652550     1  1418  1419
1419  1418  H    -25.746677  -10.096634   -1.139558     2  1417
1420  1419  H    -26.358850  -10.886390    0.120148     2  1417
1421  1420  O    -25.819497   -5.163873   -3.665491     1  1421  1422
1422  1421  H    -26.043956   -4.335938   -4.069237     2  1420
1423  1422  H    -26.227792   -5.009700   -2.760458     2  1420
1424  1423  O    -10.458363   -8.787253   -6.958579     1  1424  1425
1425  1424  H     -9.605107   -9.130860   -7.160705     2  1423
1426  1425  H    -10.430829   -8.645729   -5.991329     2  1423
1427  1426  O    -21.876672   -7.232876    1.229239     1  1427  1428
1428  1427  H    -21.099416   -6.752599    0.912419     2  1426
1429  1428  H    -21.806038   -7.059686    2.185791     2  1426
1430  1429  O    -16.727067   -5.660817    5.139008     1  1430  1431
1431  1430  H    -16.804798   -5.518077    4.183971     2  1429
1432  1431  H    -16.886955   -6.579951    5.462375     2  1429
1433  1432  O    -10.726795   -3.413035    0.473622     1  1433  1434
1434  1433  H    -11.481341   -3.120479    0.988388     2  1432
1435  1434  H    -11.086182   -4.124148   -0.011503     2  1432
1436  1435  O    -17.536204   11.044478    2.432540     1  1436  1437
1437  1436  H    -17.973196   10.164642    2.185285     2  1435
1438  1437  H    -16.737267   11.126970    1.930608     2  1435
1439  1438  O    -12.901165   10.078909   10.263933     1  1439  1440
1440  1439  H    -13.824534    9.891902   10.388342     2  1438
1441  1440  H    -12.625141   10.794818   10.913063     2  1438
1442  1441  O     -9.528622    7.417351   -3.334342     1  1442  1443
1443  1442  H     -8.880733    7.016334   -3.996788     2  1441
1444  1443  H     -9.858057    6.652178   -2.835704     2  1441
1445  1444  O    -26.029436    0.597192    5.231461     1  1445  1446
1446  1445  H    -25.525169    1.461005    5.191998     2  1444
1447  1446  H    -26.082670    0.363258    4.337745     2  1444
1448  1447  O    -15.448263    2.580315   -7.996767     1  1448  1449
1449  1448  H    -16.076677    2.463328   -7.280246     2  1447
1450  1449  H    -14.731216    1.921614   -7.929996     2  1447
1451  1450  O     -9.170870   -9.880558    3.100665     1  1451  1452
1452  1451  H     -9.526688   -9.172051    3.579899     2  1450
1453  1452  H     -8.206918   -9.760094    3.146848     2  1450
1454  1453  O    -24.804866    2.384281   -7.939083     1  1454  1455
1455  1454  H    -25.282810    2.477547   -7.105936     2  1453
1456  1455  H    -24.367113    3.215954   -8.080831     2  1453
1457  1456  O    -15.124261   -3.740145    6.056774     1  1457  1458
1458  1457  H    -15.638222   -4.543178    5.823942     2  1456
1459  1458  H    -15.086395   -3.811353    6.991612     2  1456
1460  1459  O    -13.222474   -3.733742    4.245159     1  1460  1461
1461  1460  H    -12.496707   -3.181624    4.456665     2  1459
1462  1461  H    -13.849649   -3.569951    4.924074     2  1459
1463  1462  O    -11.545757   -6.130869   -0.665923     1  1463  1464
1464  1463  H    -10.698076   -6.578282   -0.739637     2  1462
1465  1464  H    -11.734886   -5.781539   -1.528300     2  1462
1466  1465  O    -21.527094   -6.310799    3.614802     1  1466  1467
1467  1466  H    -21.407424   -6.553979    4.570172     2  1465
1468  1467  H    -22.290003   -5.726355    3.599131     2  1465
1469  1468  O    -26.922789   -0.540111   -6.585064     1  1469  1470
1470  1469  H    -27.179737   -1.504356   -6.713980     2  1468
1471  1470  H    -27.628364   -0.054960   -7.012454     2  1468
1472  1471  O    -14.606098    4.655810    6.440499     1  1472  1473
1473  1472  H    -15.212311    4.679261    5.684806     2  1471
1474  1473  H    -14.852598    3.897038    7.062560     2  1471
1475  1474  O    -23.656158   -7.962846   -3.081462     1  1475  1476
1476  1475  H    -23.326591   -7.218390   -2.569522     2  1474
1477  1476  H    -23.185558   -7.833310   -3.925857     2  1474
1478  1477  O    -19.539281    0.427242   -2.898272     1  1478  1479
1479  1478  H    -19.087165    1.184655   -3.186403     2  1477
1480  1479  H    -18.859287   -0.276515   -2.921240     2  1477
1481  1480  O    -16.417731    1.426371   -3.371990     1  1481  1482
1482  1481  H    -16.414289    0.489143   -3.290528     2  1480
1483  1482  H    -15.966143    1.790755   -2.641421     2  1480
1484  1483  O    -19.312237    3.747877   -3.557201     1  1484  1485
1485  1484  H    -18.464538    3.739521   -4.012027     2  1483
1486  1485  H    -19.114961    4.155503   -2.696601     2  1483
1487  1486  O    -25.688851   -3.822512   -0.480880     1  1487  1488
1488  1487  H    -25.978973   -4.592666    0.050397     2  1486
1489  1488  H    -26.320885   -3.098790   -0.349093     2  1486
1490  1489  O    -16.097091   -0.338233   -0.304111     1  1490  1491
1491  1490  H    -16.896785    0.036328   -0.608354     2  1489
1492  1491  H    -16.316369   -1.305722   -0.231329     2  1489
1493  1492  O    -10.581310   -3.700357   -7.247837     1  1493  1494
1494  1493  H    -11.068592   -3.390894   -6.465722     2  1492
1495  1494  H    -10.652672   -4.645565   -7.195287     2  1492
1496  1495  O     -9.337269   -0.663416    5.126202     1  1496  1497
1497  1496  H     -8.788942   -0.494490    4.395672     2  1495
1498  1497  H     -9.931165    0.122566    4.961727     2  1495
1499  1498  O    -13.461566    0.051809    4.923217     1  1499  1500
1500  1499  H    -13.510990   -0.417488    5.805394     2  1498
1501  1500  H    -14.371863    0.036368    4.636831     2  1498
1502  1501  O     26.397415   -4.388883    8.669675     1  1502  1503
1503  1502  H     26.426309   -4.309900    7.704035     2  1501
1504  1503  H     27.308976   -4.445751    8.943266     2  1501
1505  1504  O    -23.105942   -2.194481    4.238460     1  1505  1506
1506  1505  H    -23.549436   -2.559750    3.471038     2  1504
1507  1506  H    -22.408903   -2.824085    4.558308     2  1504
1508  1507  O    -16.609310   -3.204308   -0.992587     1  1508  1509
1509  1508  H    -16.277973   -3.551531   -0.137898     2  1507
1510  1509  H    -17.600089   -3.268106   -0.926886     2  1507
1511  1510  O    -18.976484   -6.733630    0.417624     1  1511  1512
1512  1511  H    -18.486837   -6.831606    1.232920     2  1510
1513  1512  H    -18.514122   -7.353581   -0.193677     2  1510
1514  1513  O    -18.219568   -6.425736    3.134113     1  1514  1515
1515  1514  H    -17.943755   -7.244219    3.540283     2  1513
1516  1515  H    -19.165587   -6.412096    3.329185     2  1513
1517  1516  O    -16.093829   -1.040094    6.059502     1  1517  1518
1518  1517  H    -16.656664   -0.672555    5.347025     2  1516
1519  1518  H    -15.636070   -1.844670    5.843014     2  1516
1520  1519  O    -18.818460   -2.279891   11.530139     1  1520  1521
1521  1520  H    -18.853870   -1.711778   10.774585     2  1519
1522  1521  H    -19.192509   -3.148559   11.232047     2  1519
1523  1522  O    -20.044393    1.760440   -5.735513     1  1523  1524
1524  1523  H    -20.545634    2.221985   -5.051597     2  1522
1525  1524  H    -20.493399    1.962830   -6.545893     2  1522
1526  1525  O    -20.508584   -1.263207   -6.378093     1  1526  1527
1527  1526  H    -20.294838   -0.330007   -6.248430     2  1525
1528  1527  H    -20.032514   -1.535990   -7.152888     2  1525
1529  1528  O    -17.759124   -2.124238    8.011049     1  1529  1530
1530  1529  H    -17.474925   -1.361219    7.505667     2  1528
1531  1530  H    -16.914086   -2.632298    8.195464     2  1528
1532  1531  O    -14.534879    5.331833   -8.742584     1  1532  1533
1533  1532  H    -14.662427    5.579490   -7.822539     2  1531
1534  1533  H    -14.612655    4.312417   -8.701840     2  1531
1535  1534  O    -23.173118    4.468150    1.276830     1  1535  1536
1536  1535  H    -23.831121    4.882563    1.846429     2  1534
1537  1536  H    -23.750551    4.001154    0.629000     2  1534
1538  1537  O    -21.053372   -3.420113    1.943965     1  1538  1539
1539  1538  H    -21.968272   -3.486725    1.754831     2  1537
1540  1539  H    -21.028339   -3.648126    2.864279     2  1537
1541  1540  O    -18.080325    3.255650    0.429135     1  1541  1542
1542  1541  H    -18.386983    2.319666    0.365039     2  1540
1543  1542  H    -18.310010    3.457864    1.313906     2  1540
1544  1543  O    -14.725514   -4.456977   -2.632562     1  1544  1545
1545  1544  H    -15.386617   -4.051621   -2.030109     2  1543
1546  1545  H    -15.226906   -4.858594   -3.312457     2  1543
1547  1546  O    -14.992732   -4.322971   11.607312     1  1547  1548
1548  1547  H    -15.264435   -4.084255   10.696395     2  1546
1549  1548  H    -15.261867   -3.583206   12.120885     2  1546
1550  1549  O    -24.381119   -3.543680  -10.514403     1  1550  1551
1551  1550  H    -24.047940   -4.405347  -10.281933     2  1549
1552  1551  H    -24.309708   -3.391621  -11.511291     2  1549
1553  1552  O    -12.197942    4.282177    0.697930     1  1553  1554
1554  1553  H    -12.645984    4.604172   -0.095367     2  1552
1555  1554  H    -11.603822    4.996804    0.990242     2  1552
1556  1555  O    -16.522594   -0.572429   -7.844282     1  1556  1557
1557  1556  H    -17.318614   -0.951755   -8.181917     2  1555
1558  1557  H    -16.837884    0.127469   -7.243721     2  1555
1559  1558  O    -24.239539    7.595354    4.211560     1  1559  1560
1560  1559  H    -24.017408    8.230349    4.912216     2  1558
1561  1560  H    -23.418565    7.100570    4.175987     2  1558
1562  1561  O    -12.528791   -6.374648    4.462775     1  1562  1563
1563  1562  H    -12.742645   -5.406339    4.364300     2  1561
1564  1563  H    -12.553560   -6.582090    5.443792     2  1561
1565  1564  O    -18.825428    0.651442   -0.142488     1  1565  1566
1566  1565  H    -19.582697    0.127587    0.239243     2  1564
1567  1566  H    -19.172594    0.708110   -1.067039     2  1564
1568  1567  O    -15.233349    2.273265    7.877822     1  1568  1569
1569  1568  H    -15.128602    1.298074    7.675685     2  1567
1570  1569  H    -15.773856    2.215314    8.717152     2  1567
1571  1570  O    -17.618102    0.082977    3.529006     1  1571  1572
1572  1571  H    -18.295593    0.790085    3.613348     2  1570
1573  1572  H    -16.958743    0.452391    2.884417     2  1570
1574  1573  O    -14.411988   -8.329069    3.949993     1  1574  1575
1575  1574  H    -15.043497   -8.246098    4.652299     2  1573
1576  1575  H    -13.730162   -7.609365    3.987152     2  1573
1577  1576  O    -15.387771   -4.435353    1.127559     1  1577  1578
1578  1577  H    -14.540644   -3.914772    1.258253     2  1576
1579  1578  H    -15.122570   -5.389219    1.076942     2  1576
1580  1579  O    -22.028533   -5.256033  -11.957697     1  1580  1581
1581  1580  H    -22.939368   -5.510439  -11.956066     2  1579
1582  1581  H    -21.941750   -4.481595  -12.569388     2  1579
1583  1582  O    -21.396369   -9.760621    0.039799     1  1583  1584
1584  1583  H    -20.804468  -10.122369    0.728070     2  1582
1585  1584  H    -21.587576   -8.874147    0.375915     2  1582
1586  1585  O    -16.074393    8.886090    7.153357     1  1586  1587
1587  1586  H    -16.900130    8.373965    7.243990     2  1585
1588  1587  H    -16.179315    9.636554    6.530485     2  1585
1589  1588  O    -26.664683   -4.381611    5.915855     1  1589  1590
1590  1589  H    -26.492372   -3.617903    6.521569     2  1588
1591  1590  H    -25.892255   -4.969302    6.040947     2  1588
1592  1591  O    -15.319929    2.523144   -0.880118     1  1592  1593
1593  1592  H    -16.115493    2.972200   -0.605777     2  1591
1594  1593  H    -14.790558    3.203754   -1.381683     2  1591
1595  1594  O    -24.940205   -7.012258   -8.442258     1  1595  1596
1596  1595  H    -25.585098   -7.379168   -8.990703     2  1594
1597  1596  H    -25.290304   -6.929172   -7.511146     2  1594
1598  1597  O    -16.120266   -6.498511   -8.770628     1  1598  1599
1599  1598  H    -15.876901   -5.982498   -7.983873     2  1597
1600  1599  H    -15.293631   -6.482350   -9.274149     2  1597
1601  1600  O    -14.188656    7.697973   -6.219953     1  1601  1602
1602  1601  H    -13.356501    8.247477   -6.265619     2  1600
1603  1602  H    -14.444411    7.887515   -5.244486     2  1600
1604  1603  O    -17.557062    9.502885   -5.587885     1  1604  1605
1605  1604  H    -17.333434    9.684574   -4.677232     2  1603
1606  1605  H    -18.335755   10.042658   -5.696340     2  1603
1607  1606  O    -21.286683  -10.361477   -7.411171     1  1607  1608
1608  1607  H    -21.930025   -9.871630   -7.933649     2  1606
1609  1608  H    -20.363903  -10.122651   -7.716802     2  1606
1610  1609  O    -20.969286   -3.874283    5.137288     1  1610  1611
1611  1610  H    -20.531876   -4.521006    5.680408     2  1609
1612  1611  H    -20.329104   -3.251853    4.762806     2  1609
1613  1612  O    -13.000203  -10.644916   -1.201848     1  1613  1614
1614  1613  H    -13.203269   -9.883757   -0.692554     2  1612
1615  1614  H    -12.702283  -11.356220   -0.606846     2  1612
1616  1615  O    -22.630532    4.076438    4.948604     1  1616  1617
1617  1616  H    -22.812421    3.689814    4.085488     2  1615
1618  1617  H    -22.494893    3.328503    5.639244     2  1615
1619  1618  O    -18.222786   -6.115740   -4.544940     1  1619  1620
1620  1619  H    -18.091423   -6.588659   -3.701606     2  1618
1621  1620  H    -19.210182   -5.991837   -4.572878     2  1618
1622  1621  O    -13.404257    0.857419   -8.772316     1  1622  1623
1623  1622  H    -12.790979    0.186959   -8.459172     2  1621
1624  1623  H    -14.101245    0.357368   -9.266311     2  1621
1625  1624  O    -10.951550   -3.193621    5.498041     1  1625  1626
1626  1625  H    -10.339673   -2.444799    5.543240     2  1624
1627  1626  H    -10.520809   -4.010204    5.793911     2  1624
1628  1627  O    -26.677326   -2.219393   -9.545381     1  1628  1629
1629  1628  H    -25.841093   -2.592873   -9.821557     2  1627
1630  1629  H    -26.670455   -1.263524   -9.637319     2  1627
1631  1630  O    -22.783017   -9.875173    8.819454     1  1631  1632
1632  1631  H    -22.531717   -9.459694    9.616251     2  1630
1633  1632  H    -22.415371  -10.726346    8.830830     2  1630
1634  1633  O    -23.862312    4.275420   -3.894184     1  1634  1635
1635  1634  H    -24.157518    4.938222   -3.245227     2  1633
1636  1635  H    -24.357481    3.444204   -3.714321     2  1633
1637  1636  O     27.938713   -1.938282   -0.560119     1  1637  1638
1638  1637  H     27.613142   -1.858556   -1.537314     2  1636
1639  1638  H     27.097348   -1.975086   -0.063143     2  1636
1640  1639  O    -26.103619    5.620268    1.147746     1  1640  1641
1641  1640  H    -25.625331    5.486772    0.344070     2  1639
1642  1641  H    -26.297980    6.610860    1.098694     2  1639
1643  1642  O    -13.039879    1.060398   -1.208084     1  1643  1644
1644  1643  H    -12.466468    1.885974   -0.943975     2  1642
1645  1644  H    -13.893506    1.271982   -0.829975     2  1642
1646  1645  O    -18.345411    2.680113   -8.690088     1  1646  1647
1647  1646  H    -18.024283    3.597954   -8.771491     2  1645
1648  1647  H    -17.972342    2.384729   -7.860076     2  1645
1649  1648  O     27.222723   -6.109494   -7.567284     1  1649  1650
1650  1649  H     27.558444   -5.487616   -8.177397     2  1648
1651  1650  H     27.979785   -6.074224   -6.894881     2  1648
1652  1651  O    -25.982928    0.517492   -9.785482     1  1652  1653
1653  1652  H    -26.622443    0.869804  -10.421973     2  1651
1654  1653  H    -25.756591    1.280346   -9.193889     2  1651
1655  1654  O    -11.050576   -0.463890   -8.216119     1  1655  1656
1656  1655  H    -10.225552    0.004436   -8.291419     2  1654
1657  1656  H    -11.111652   -0.979759   -7.361697     2  1654
1658  1657  O    -18.392672   -7.131794  -10.267528     1  1658  1659
1659  1658  H    -19.172971   -6.572869  -10.492517     2  1657
1660  1659  H    -17.727163   -6.587470   -9.835598     2  1657
1661  1660  O    -21.963354    2.798023    7.387255     1  1661  1662
1662  1661  H    -21.852113    3.673973    7.729799     2  1660
1663  1662  H    -21.044776    2.413371    7.597490     2  1660
1664  1663  O    -23.837880   -3.528018    1.718335     1  1664  1665
1665  1664  H    -24.117996   -4.385783    1.266812     2  1663
1666  1665  H    -24.004448   -2.939183    0.951279     2  1663
1667  1666  O    -16.352927   -9.372217   -8.341680     1  1667  1668
1668  1667  H    -16.014758   -9.716488   -7.463394     2  1666
1669  1668  H    -16.197674   -8.408322   -8.332124     2  1666
1670  1669  O    -23.962172   -8.998800    5.344841     1  1670  1671
1671  1670  H    -24.297289   -8.724484    4.470605     2  1669
1672  1671  H    -24.731183   -9.421004    5.723175     2  1669
1673  1672  O    -27.192083    6.607208   -1.604315     1  1673  1674
1674  1673  H    -27.571190    7.359229   -2.136521     2  1672
1675  1674  H    -27.395105    6.885674   -0.735013     2  1672
1676  1675  O    -25.641872    2.695039    1.053095     1  1676  1677
1677  1676  H    -25.960160    2.026875    0.458955     2  1675
1678  1677  H    -26.195160    3.478974    0.885710     2  1675
1679  1678  O    -25.099026   -8.095581    8.541911     1  1679  1680
1680  1679  H    -24.387268   -8.826420    8.457797     2  1678
1681  1680  H    -25.926002   -8.583740    8.791483     2  1678
1682  1681  O    -21.244760    2.489718   -8.357778     1  1682  1683
1683  1682  H    -20.406465    2.611343   -8.782387     2  1681
1684  1683  H    -21.662815    3.344506   -8.502772     2  1681
1685  1684  O    -24.483677   -9.889118   -6.290489     1  1685  1686
1686  1685  H    -24.485243  -10.514193   -5.548012     2  1684
1687  1686  H    -23.767379   -9.239382   -6.054937     2  1684
1688  1687  O    -11.967731    3.239408   -7.593042     1  1688  1689
1689  1688  H    -11.558616    4.053353   -7.286600     2  1687
1690  1689  H    -11.404745    2.451540   -7.364563     2  1687
1691  1690  O    -13.542766   -2.154720   -1.312653     1  1691  1692
1692  1691  H    -13.706469   -2.790336   -0.605913     2  1690
1693  1692  H    -13.216913   -1.338716   -0.977226     2  1690
1694  1693  O    -17.102694   -1.241278   -3.094468     1  1694  1695
1695  1694  H    -16.389936   -1.560469   -2.537885     2  1693
1696  1695  H    -17.511116   -1.958874   -3.617998     2  1693
1697  1696  O    -16.141850    7.393292    2.722101     1  1697  1698
1698  1697  H    -15.291975    7.952933    2.765002     2  1696
1699  1698  H    -15.850443    6.579028    3.148709     2  1696
1700  1699  O    -26.865867  -11.552771   -3.366155     1  1700  1701
1701  1700  H    -27.798938  -11.863433   -3.506822     2  1699
1702  1701  H    -26.866919  -10.633822   -3.135530     2  1699
1703  1702  O    -14.562886   -0.648697    9.443058     1  1703  1704
1704  1703  H    -15.251438   -0.165310    9.890634     2  1702
1705  1704  H    -13.820704   -0.719981   10.071530     2  1702
1706  1705  O    -22.469932   -5.748052   -7.635799     1  1706  1707
1707  1706  H    -22.568543   -4.829787   -7.326142     2  1705
1708  1707  H    -23.209214   -5.768833   -8.263043     2  1705
1709  1708  O    -25.079930    7.709901   -8.714003     1  1709  1710
1710  1709  H    -24.482633    7.795609   -9.443127     2  1708
1711  1710  H    -24.723001    8.364481   -8.096089     2  1708
1712  1711  O    -20.737073    5.466187    1.772744     1  1712  1713
1713  1712  H    -21.527255    4.915210    1.526382     2  1711
1714  1713  H    -21.045784    5.975959    2.500788     2  1711
1715  1714  O    -18.491323    5.325333   -1.332667     1  1715  1716
1716  1715  H    -18.468337    4.616303   -0.731307     2  1714
1717  1716  H    -19.172917    5.923949   -1.122830     2  1714
1718  1717  O    -24.890593    4.257606  -10.703812     1  1718  1719
1719  1718  H    -24.972252    5.165739  -10.909965     2  1717
1720  1719  H    -25.680716    4.024362  -10.262961     2  1717
1721  1720  O    -25.859140   -0.275233    0.010695     1  1721  1722
1722  1721  H    -25.033633   -0.614200   -0.226244     2  1720
1723  1722  H    -26.584940   -0.908405   -0.057498     2  1720
1724  1723  O    -11.844047   -4.411581   -2.825946     1  1724  1725
1725  1724  H    -12.499483   -3.719659   -2.676041     2  1723
1726  1725  H    -11.119224   -3.906824   -3.222821     2  1723
1727  1726  O    -13.151417    8.133590    3.172835     1  1727  1728
1728  1727  H    -12.844816    7.482760    3.801195     2  1726
1729  1728  H    -12.395778    8.503907    2.767297     2  1726
1730  1729  O    -14.562688   -6.911422   -4.412575     1  1730  1731
1731  1730  H    -13.750707   -6.464461   -4.581512     2  1729
1732  1731  H    -15.177639   -6.484602   -5.008471     2  1729
1733  1732  O    -14.051200    3.094037   -5.291243     1  1733  1734
1734  1733  H    -13.809737    2.275228   -4.823201     2  1732
1735  1734  H    -13.437590    3.127021   -6.063405     2  1732
1736  1735  O    -21.975190  -12.172750    2.357174     1  1736  1737
1737  1736  H    -21.928419  -13.114674    2.197231     2  1735
1738  1737  H    -22.747679  -11.951484    1.807530     2  1735
1739  1738  O     27.818008    0.050397    6.948100     1  1739  1740
1740  1739  H     27.993717    0.700826    7.709433     2  1738
1741  1740  H     28.421654    0.379676    6.228577     2  1738
1742  1741  O    -13.053712   -3.001521    1.702020     1  1742  1743
1743  1742  H    -13.249742   -2.065774    1.927723     2  1741
1744  1743  H    -13.241986   -3.535796    2.533022     2  1741
1745  1744  O    -24.517450    6.158913   -1.708265     1  1745  1746
1746  1745  H    -25.449827    6.367444   -1.683444     2  1744
1747  1746  H    -24.065367    6.983698   -1.485698     2  1744
1748  1747  O    -15.198407    0.644754    2.095834     1  1748  1749
1749  1748  H    -14.339907    0.270028    2.165133     2  1747
1750  1749  H    -15.564590    0.340757    1.243906     2  1747
1751  1750  O    -10.658449    1.605474    4.638016     1  1751  1752
1752  1751  H    -11.270163    2.254262    5.058676     2  1750
1753  1752  H    -10.863646    1.657903    3.658826     2  1750
1754  1753  O    -15.110417   -9.004398   -2.640441     1  1754  1755
1755  1754  H    -14.919296   -8.204006   -3.129958     2  1753
1756  1755  H    -14.700364   -8.761191   -1.758301     2  1753
1757  1756  O    -17.307051    1.512050   -6.053679     1  1757  1758
1758  1757  H    -18.283003    1.696210   -5.921609     2  1756
1759  1758  H    -16.866675    1.538359   -5.188832     2  1756
1760  1759  O    -13.778846   -2.222067   -4.272450     1  1760  1761
1761  1760  H    -13.919204   -2.723194   -5.073284     2  1759
1762  1761  H    -14.292375   -2.802782   -3.612166     2  1759
1763  1762  O     -9.375845    2.076023   -3.152731     1  1763  1764
1764  1763  H     -9.931701    2.229995   -3.918608     2  1762
1765  1764  H     -8.499265    2.352380   -3.504674     2  1762
1766  1765  O    -22.847753   -3.119582   -7.125382     1  1766  1767
1767  1766  H    -22.684988   -2.457894   -7.884400     2  1765
1768  1767  H    -22.425197   -2.724661   -6.317913     2  1765
1769  1768  O    -10.945603    1.502508   -5.560657     1  1769  1770
1770  1769  H    -11.706104    0.978723   -5.226335     2  1768
1771  1770  H    -10.114981    0.886495   -5.617726     2  1768
1772  1771  O    -22.126666    0.403471    3.224923     1  1772  1773
1773  1772  H    -22.948901    0.925339    3.187796     2  1771
1774  1773  H    -22.389032   -0.403158    3.624484     2  1771
1775  1774  O     -9.332079   -3.975785   -3.904865     1  1775  1776
1776  1775  H     -8.658786   -3.810478   -3.299678     2  1774
1777  1776  H     -8.797380   -3.829179   -4.715658     2  1774
1778  1777  O    -21.824968    6.528352    4.127556     1  1778  1779
1779  1778  H    -21.330424    6.868183    4.958935     2  1777
1780  1779  H    -22.305115    5.700429    4.383095     2  1777
1781  1780  O     -9.075518    1.437830   -8.022716     1  1781  1782
1782  1781  H     -8.778971    2.156385   -7.458972     2  1780
1783  1782  H     -8.375616    1.082839   -8.595900     2  1780
1784  1783  O    -22.449358   -7.972288   -5.883216     1  1784  1785
1785  1784  H    -21.517267   -8.170489   -5.774137     2  1783
1786  1785  H    -22.443576   -7.298834   -6.581193     2  1783
1787  1786  O     -9.596832    6.553968    5.350035     1  1787  1788
1788  1787  H     -8.681461    6.327156    5.167187     2  1786
1789  1788  H     -9.710610    6.316067    6.291792     2  1786
1790  1789  O    -19.282107   -4.024545   -0.532169     1  1790  1791
1791  1790  H    -19.133141   -4.967244   -0.521540     2  1789
1792  1791  H    -19.471542   -3.767240    0.381382     2  1789
1793  1792  O    -15.488305   -7.369641    1.622099     1  1793  1794
1794  1793  H    -15.255456   -7.818923    2.449470     2  1792
1795  1794  H    -16.160097   -7.832063    1.213781     2  1792
1796  1795  O    -18.987301   -9.538436   -8.799202     1  1796  1797
1797  1796  H    -18.920958   -8.701310   -9.282598     2  1795
1798  1797  H    -18.084021   -9.656910   -8.439898     2  1795
1799  1798  O    -18.580342    4.144579    3.061718     1  1799  1800
1800  1799  H    -19.379297    4.597193    2.841348     2  1798
1801  1800  H    -18.879523    3.592735    3.764175     2  1798
1802  1801  O    -21.907806    5.403695    8.277911     1  1802  1803
1803  1802  H    -21.582660    6.007644    7.636509     2  1801
1804  1803  H    -22.723438    5.713333    8.670913     2  1801
1805  1804  O    -12.037535   -6.157477   -5.197933     1  1805  1806
1806  1805  H    -11.335270   -6.782918   -4.974974     2  1804
1807  1806  H    -11.846774   -5.413672   -4.618088     2  1804
1808  1807  O    -25.130678    5.832737   -5.851458     1  1808  1809
1809  1808  H    -24.589182    5.661325   -6.684770     2  1807
1810  1809  H    -24.856891    5.106730   -5.298174     2  1807
1811  1810  O    -26.109733    3.811670    7.603254     1  1811  1812
1812  1811  H    -25.324745    3.278535    7.663892     2  1810
1813  1812  H    -26.210601    3.820420    6.649702     2  1810
1814  1813  O    -19.799266   -6.678655    6.362046     1  1814  1815
1815  1814  H    -19.240784   -7.378268    6.045481     2  1813
1816  1815  H    -20.527290   -7.200958    6.782413     2  1813
1817  1816  O    -15.112834   -2.796790   -6.860343     1  1817  1818
1818  1817  H    -14.636746   -3.070186   -7.627960     2  1816
1819  1818  H    -15.573700   -1.974678   -7.110068     2  1816
1820  1819  O     -8.952602   -1.197399    0.179081     1  1820  1821
1821  1820  H     -8.199929   -1.639041   -0.302700     2  1819
1822  1821  H     -9.713030   -1.763920    0.202451     2  1819
1823  1822  O    -16.240551   -5.133158   -6.318796     1  1823  1824
1824  1823  H    -16.954323   -5.128137   -5.641293     2  1822
1825  1824  H    -15.723751   -4.307107   -6.326201     2  1822
1826  1825  O     -5.722912    6.582756   -1.689404     1  1826  1827
1827  1826  H     -6.578815    6.637155   -1.263411     2  1825
1828  1827  H     -5.345173    5.809366   -1.327202     2  1825
1829  1828  O    -23.826464    5.154459   -8.204219     1  1829  1830
1830  1829  H    -22.886352    5.454281   -7.899808     2  1828
1831  1830  H    -24.230395    5.972317   -8.504960     2  1828
1832  1831  O    -25.114964    1.226778   -3.415361     1  1832  1833
1833  1832  H    -24.594833    0.469534   -3.778793     2  1831
1834  1833  H    -24.611085    1.492182   -2.621276     2  1831
1835  1834  O    -21.273825   -3.749913   -2.438517     1  1835  1836
1836  1835  H    -20.474575   -3.616479   -1.863155     2  1834
1837  1836  H    -21.699829   -2.929805   -2.536683     2  1834
1838  1837  O    -12.177221    7.553521    8.938425     1  1838  1839
1839  1838  H    -13.109116    7.352122    8.628365     2  1837
1840  1839  H    -11.997345    8.493099    9.143190     2  1837
1841  1840  O    -23.522420   -5.358383   -2.234483     1  1841  1842
1842  1841  H    -23.990978   -5.388182   -3.080736     2  1840
1843  1842  H    -22.770608   -4.738779   -2.348186     2  1840
1844  1843  O    -19.704294    1.770570    4.587515     1  1844  1845
1845  1844  H    -20.511824    1.381698    4.173205     2  1843
1846  1845  H    -19.847724    1.606193    5.520840     2  1843
1847  1846  O    -21.013345    5.662259   -7.975948     1  1847  1848
1848  1847  H    -20.136192    5.607423   -8.421166     2  1846
1849  1848  H    -20.795190    5.572799   -7.030586     2  1846
1850  1849  O    -22.925720   -1.548818   -9.382554     1  1850  1851
1851  1850  H    -23.412151   -2.317169   -9.653775     2  1849
1852  1851  H    -23.512880   -0.810942   -9.038105     2  1849
1853  1852  O    -26.415315   -6.710260   -6.104007     1  1853  1854
1854  1853  H    -26.344413   -6.242251   -5.196397     2  1852
1855  1854  H    -26.738303   -7.579587   -5.935148     2  1852
1856  1855  O    -19.439084    1.277900    7.507340     1  1856  1857
1857  1856  H    -18.946812    1.729866    8.167371     2  1855
1858  1857  H    -19.644270    0.384233    7.789315     2  1855
1859  1858  O    -15.251547   -3.323949    8.919592     1  1859  1860
1860  1859  H    -15.004413   -2.428049    9.033484     2  1858
1861  1860  H    -14.389583   -3.771198    8.995500     2  1858
1862  1861  O    -21.241337    4.907106   -5.057194     1  1862  1863
1863  1862  H    -21.999618    4.564622   -4.596356     2  1861
1864  1863  H    -20.439652    4.584702   -4.592890     2  1861
1865  1864  O    -14.312977    3.261490    2.388497     1  1865  1866
1866  1865  H    -13.652663    3.452885    1.730274     2  1864
1867  1866  H    -14.591741    2.355200    2.221255     2  1864
1868  1867  O    -13.360885   -3.298635   -8.863096     1  1868  1869
1869  1868  H    -13.230386   -2.501159   -9.420277     2  1867
1870  1869  H    -12.562001   -3.290325   -8.312291     2  1867
1871  1870  O    -13.394189    0.673477   -4.094960     1  1871  1872
1872  1871  H    -13.143261    0.864101   -3.154274     2  1870
1873  1872  H    -13.742505   -0.248708   -4.170026     2  1870
1874  1873  O    -18.566241   -2.587478    3.953747     1  1874  1875
1875  1874  H    -18.376559   -1.650879    3.762747     2  1873
1876  1875  H    -17.735864   -2.954498    4.090392     2  1873
1877  1876  O    -11.024383    2.207305  -10.204953     1  1877  1878
1878  1877  H    -10.329500    2.358432   -9.539539     2  1876
1879  1878  H    -11.827272    1.984056   -9.585929     2  1876
1880  1879  O    -15.176746  -12.095558   -5.141462     1  1880  1881
1881  1880  H    -15.561090  -11.191062   -5.142900     2  1879
1882  1881  H    -15.144940  -12.439855   -6.057203     2  1879
1883  1882  O    -15.855622   -8.302666    6.549397     1  1883  1884
1884  1883  H    -15.615611   -9.041901    7.078084     2  1882
1885  1884  H    -15.722769   -7.569795    7.169430     2  1882
1886  1885  O    -18.126107    3.728293    9.268906     1  1886  1887
1887  1886  H    -17.263366    4.021427    9.615579     2  1885
1888  1887  H    -18.812181    4.076201    9.901212     2  1885
1889  1888  O    -20.743157   -0.751076    1.202991     1  1889  1890
1890  1889  H    -21.060938   -0.254856    1.949054     2  1888
1891  1890  H    -20.690728   -1.643783    1.557053     2  1888
1892  1891  O    -24.954864   -7.614158    2.865808     1  1892  1893
1893  1892  H    -24.843996   -6.750898    3.330839     2  1891
1894  1893  H    -24.958672   -7.573766    1.927326     2  1891
1895  1894  O    -24.356467    1.849469    8.069968     1  1895  1896
1896  1895  H    -24.174999    0.967469    7.712434     2  1894
1897  1896  H    -23.524398    2.272878    7.842203     2  1894
1898  1897  O    -13.859828   -8.011690   -0.339374     1  1898  1899
1899  1898  H    -14.300875   -7.701114    0.476786     2  1897
1900  1899  H    -13.106179   -7.454743   -0.563895     2  1897
1901  1900  O    -20.381818    7.519696   -0.112658     1  1901  1902
1902  1901  H    -21.253190    7.868827   -0.412174     2  1900
1903  1902  H    -20.551207    6.855329    0.571166     2  1900
1904  1903  O    -23.231483   -1.263381   -0.463312     1  1904  1905
1905  1904  H    -22.617881   -1.072164    0.227152     2  1903
1906  1905  H    -22.818012   -0.995175   -1.318303     2  1903
1907  1906  O    -22.148059  -11.072476    5.027870     1  1907  1908
1908  1907  H    -22.149590  -11.382126    4.124317     2  1906
1909  1908  H    -22.696060  -10.260929    5.132737     2  1906
1910  1909  O    -12.942164    7.181189   -0.528745     1  1910  1911
1911  1910  H    -13.526423    6.778681    0.114049     2  1909
1912  1911  H    -12.846420    8.124031   -0.341468     2  1909
1913  1912  O    -18.994442   -2.755034   -4.415429     1  1913  1914
1914  1913  H    -19.592874   -3.367012   -3.921780     2  1912
1915  1914  H    -19.597832   -2.255651   -5.059001     2  1912
1916  1915  O    -24.042603   -0.890458   -5.231047     1  1916  1917
1917  1916  H    -24.009443   -0.547640   -6.137727     2  1915
1918  1917  H    -24.762225   -1.584305   -5.242786     2  1915
1919  1918  O    -22.292065   -4.996259    8.247939     1  1919  1920
1920  1919  H    -21.970155   -5.876024    8.137093     2  1918
1921  1920  H    -22.506568   -4.859950    9.185120     2  1918
1922  1921  O    -19.972881   -9.516071   -2.459847     1  1922  1923
1923  1922  H    -20.262055   -9.758278   -3.337516     2  1921
1924  1923  H    -20.818626   -9.279274   -2.034145     2  1921
1925  1924  O    -23.817641    2.808876   -1.180526     1  1925  1926
1926  1925  H    -23.109992    3.441528   -1.285204     2  1924
1927  1926  H    -24.649611    3.259467   -1.307124     2  1924
1928  1927  O     27.168151   -2.004758  -11.533550     1  1928  1929
1929  1928  H     27.542503   -1.139100  -11.644212     2  1927
1930  1929  H     27.794010   -2.532398  -11.004076     2  1927
1931  1930  O    -12.277670    6.137783   -3.801771     1  1931  1932
1932  1931  H    -12.483580    7.074818   -3.707025     2  1930
1933  1932  H    -12.807555    5.795901   -4.496214     2  1930
1934  1933  O    -10.527368    5.534999   -6.433708     1  1934  1935
1935  1934  H    -10.034533    6.300281   -6.757582     2  1933
1936  1935  H    -10.684915    5.735021   -5.524023     2  1933
1937  1936  O     27.190735   -5.376873    0.068341     1  1937  1938
1938  1937  H     26.203631   -5.681706    0.235026     2  1936
1939  1938  H     27.185760   -4.400305    0.123769     2  1936
1940  1939  O    -19.056417  -10.191969   10.823052     1  1940  1941
1941  1940  H    -19.026867  -11.164438   10.813895     2  1939
1942  1941  H    -19.954521   -9.990434   11.008853     2  1939
1943  1942  O    -26.535859   -3.410130    3.376581     1  1943  1944
1944  1943  H    -26.760860   -3.766472    4.245785     2  1942
1945  1944  H    -26.422399   -2.503384    3.587392     2  1942
1946  1945  O    -15.007951   -9.471754   -5.771898     1  1946  1947
1947  1946  H    -15.097407   -8.613736   -5.351835     2  1945
1948  1947  H    -14.070555   -9.642360   -5.981795     2  1945
1949  1948  O    -26.131349    2.788274   -5.578735     1  1949  1950
1950  1949  H    -25.988934    2.221252   -4.819606     2  1948
1951  1950  H    -27.063037    2.888261   -5.814236     2  1948
1952  1951  O    -16.123384    4.692895    4.016757     1  1952  1953
1953  1952  H    -17.040859    4.651384    3.737420     2  1951
1954  1953  H    -15.611604    4.263760    3.261447     2  1951
1955  1954  O    -10.067123   -7.843858   -4.352482     1  1955  1956
1956  1955  H    -10.365581   -8.576854   -3.721884     2  1954
1957  1956  H     -9.151047   -7.625767   -4.133726     2  1954
1958  1957  O    -23.112920    0.553232   -7.590960     1  1958  1959
1959  1958  H    -22.276124    0.962146   -7.525561     2  1957
1960  1959  H    -23.694252    1.301160   -7.594382     2  1957
1961  1960  O    -10.015715   -7.615277    4.566289     1  1961  1962
1962  1961  H    -10.795705   -7.101659    4.386799     2  1960
1963  1962  H     -9.695003   -7.174645    5.361699     2  1960
1964  1963  O    -21.178501    7.664877   -4.450368     1  1964  1965
1965  1964  H    -21.035471    6.780990   -4.744467     2  1963
1966  1965  H    -20.385092    7.826024   -3.910607     2  1963
1967  1966  O    -20.090379   -0.996671    8.987889     1  1967  1968
1968  1967  H    -20.887997   -1.517154    8.788131     2  1966
1969  1968  H    -19.411090   -1.631953    8.650728     2  1966
1970  1969  O    -10.853262   -6.158672   -8.472326     1  1970  1971
1971  1970  H    -11.307800   -6.220322   -9.275058     2  1969
1972  1971  H    -10.888046   -7.065048   -8.047001     2  1969
1973  1972  O    -16.308440  -11.597611   -1.965439     1  1973  1974
1974  1973  H    -15.830307  -10.951911   -2.545648     2  1972
1975  1974  H    -15.746187  -11.788408   -1.239453     2  1972
1976  1975  O    -10.197821   -5.029454    7.190024     1  1976  1977
1977  1976  H    -10.323924   -4.421782    7.922899     2  1975
1978  1977  H     -9.359375   -5.360072    7.353811     2  1975
1979  1978  O    -12.126743   -6.973211    7.128307     1  1979  1980
1980  1979  H    -11.235771   -6.572656    7.172210     2  1978
1981  1980  H    -11.980695   -7.858711    7.402908     2  1978
1982  1981  O    -19.379080   -4.489300    8.146125     1  1982  1983
1983  1982  H    -19.543374   -5.195264    7.504849     2  1981
1984  1983  H    -18.872329   -3.762787    7.725006     2  1981
1985  1984  O    -12.564846    3.802149    4.520584     1  1985  1986
1986  1985  H    -13.168450    3.547285    3.792600     2  1984
1987  1986  H    -13.237960    4.032454    5.214087     2  1984
1988  1987  O    -24.247419    2.411043    3.430053     1  1988  1989
1989  1988  H    -24.977722    2.863735    3.872517     2  1987
1990  1989  H    -24.600547    2.414466    2.521433     2  1987
1991  1990  O    -11.629672    8.781398   15.893404     1  1991  1992
1992  1991  H    -12.014756    8.175951   15.164470     2  1990
1993  1992  H    -10.704570    8.547953   15.778518     2  1990
1994  1993  O    -14.228367    1.028844   14.932571     1  1994  1995
1995  1994  H    -13.823056    1.520761   15.666669     2  1993
1996  1995  H    -14.874025    0.509010   15.421734     2  1993
1997  1996  O     -8.492732   12.448800   19.304450     1  1997  1998
1998  1997  H     -9.273909   12.791004   18.797590     2  1996
1999  1998  H     -7.746701   12.566741   18.682007     2  1996
2000  1999  O    -18.538059    7.606168   10.382634     1  2000  2001
2001  2000  H    -19.042869    6.773894   10.542988     2  1999
2002  2001  H    -19.111183    8.370759   10.379224     2  1999
2003  2002  O    -20.161800    0.691548   19.843888     1  2003  2004
2004  2003  H    -19.554532    1.299612   19.275053     2  2002
2005  2004  H    -20.384917   -0.031609   19.254079     2  2002
2006  2005  O     -9.813047    6.770575   21.955792     1  2006  2007
2007  2006  H     -9.234240    7.552283   22.000740     2  2005
2008  2007  H    -10.573738    6.870329   22.537924     2  2005
2009  2008  O    -19.816300    2.916019   12.831051     1  2009  2010
2010  2009  H    -19.860028    2.467956   13.687376     2  2008
2011  2010  H    -20.632204    3.414515   12.812898     2  2008
2012  2011  O      8.398004  -19.510516  -13.057645     1  2012  2013
2013  2012  H      9.099540  -19.622251  -13.714515     2  2011
2014  2013  H      8.950151  -19.199030  -12.298402     2  2011
2015  2014  O    -16.200910   -0.003796   20.764476     1  2015  2016
2016  2015  H    -16.122633    0.915296   20.398137     2  2014
2017  2016  H    -16.957047   -0.009606   21.386899     2  2014
2018  2017  O      9.538087  -16.200750  -10.307851     1  2018  2019
2019  2018  H      9.430430  -17.164351  -10.379804     2  2017
2020  2019  H      8.668844  -15.846761  -10.579419     2  2017
2021  2020  O    -20.326289   -6.446099   11.235073     1  2021  2022
2022  2021  H    -20.218927   -5.914090   12.059457     2  2020
2023  2022  H    -19.540061   -6.394690   10.714535     2  2020
2024  2023  O     -8.124805  -11.123505   14.268679     1  2024  2025
2025  2024  H     -7.811828  -10.346310   14.803132     2  2023
2026  2025  H     -9.054792  -11.022009   14.148193     2  2023
2027  2026  O    -11.238546   -2.291170   18.722635     1  2027  2028
2028  2027  H    -11.313538   -3.279065   18.923132     2  2026
2029  2028  H    -12.067105   -2.078904   18.243670     2  2026
2030  2029  O     19.368750  -16.361165   -6.018706     1  2030  2031
2031  2030  H     18.458112  -16.112484   -5.893563     2  2029
2032  2031  H     19.510629  -16.011988   -6.929849     2  2029
2033  2032  O    -17.252012    4.477303   12.661222     1  2033  2034
2034  2033  H    -18.111694    4.043291   12.409483     2  2032
2035  2034  H    -16.867831    5.051515   11.999069     2  2032
2036  2035  O     19.390223   16.895007   -5.535305     1  2036  2037
2037  2036  H     18.751003   17.613070   -5.463616     2  2035
2038  2037  H     18.819327   16.262155   -5.172455     2  2035
2039  2038  O     14.516241   20.976385   -1.286169     1  2039  2040
2040  2039  H     14.545005   21.926330   -1.437006     2  2038
2041  2040  H     14.530780   20.808304   -0.321770     2  2038
2042  2041  O    -11.206556   -5.879831   16.815017     1  2042  2043
2043  2042  H    -10.548736   -6.071219   16.129955     2  2041
2044  2043  H    -11.760593   -6.663755   17.069120     2  2041
2045  2044  O     15.752587  -21.674320   -3.930124     1  2045  2046
2046  2045  H     15.489767  -21.985038   -3.005395     2  2044
2047  2046  H     14.914387  -21.645907   -4.417822     2  2044
2048  2047  O    -18.372896    2.570436   18.282957     1  2048  2049
2049  2048  H    -18.772603    3.221426   18.924001     2  2047
2050  2049  H    -17.450321    2.506501   18.591386     2  2047
2051  2050  O    -19.060992    4.824284   16.493478     1  2051  2052
2052  2051  H    -18.758886    5.226334   17.308268     2  2050
2053  2052  H    -19.226388    3.957959   16.762645     2  2050
2054  2053  O    -21.777045    4.815937   12.837052     1  2054  2055
2055  2054  H    -22.706643    5.124003   12.664569     2  2053
2056  2055  H    -21.571790    5.355320   13.631757     2  2053
2057  2056  O    -11.941217   -3.804732   11.630702     1  2057  2058
2058  2057  H    -11.424482   -4.455274   12.182912     2  2056
2059  2058  H    -12.850843   -4.070678   11.776590     2  2056
2060  2059  O    -13.608493   -0.335861   21.821829     1  2060  2061
2061  2060  H    -12.982583    0.101700   21.229737     2  2059
2062  2061  H    -14.473470   -0.254464   21.369969     2  2059
2063  2062  O    -11.191326    3.929702   22.737028     1  2063  2064
2064  2063  H    -11.343629    4.785951   22.997251     2  2062
2065  2064  H    -10.934559    3.892147   21.800910     2  2062
2066  2065  O    -17.189086   -1.251390   18.310422     1  2066  2067
2067  2066  H    -16.889957   -0.742066   19.056020     2  2065
2068  2067  H    -16.971580   -2.143074   18.591997     2  2065
2069  2068  O     10.588338   23.005255   -4.402357     1  2069  2070
2070  2069  H     11.486811   23.388765   -4.344416     2  2068
2071  2070  H     10.724929   22.035749   -4.408153     2  2068
2072  2071  O    -22.525785   -2.011488   10.911907     1  2072  2073
2073  2072  H    -22.633381   -2.098440    9.942393     2  2071
2074  2073  H    -23.375324   -1.602003   11.281052     2  2071
2075  2074  O    -15.627605   -0.879123   16.288669     1  2075  2076
2076  2075  H    -16.205481   -1.103105   16.987492     2  2074
2077  2076  H    -14.757504   -1.334826   16.561829     2  2074
2078  2077  O    -15.676375    9.530777    9.850812     1  2078  2079
2079  2078  H    -16.305050    9.071476   10.450026     2  2077
2080  2079  H    -15.897955    9.236756    8.932195     2  2077
2081  2080  O    -15.647720    3.886665   20.937667     1  2081  2082
2082  2081  H    -14.953133    3.505879   21.495386     2  2080
2083  2082  H    -15.700052    4.827530   21.085454     2  2080
2084  2083  O    -24.440225   -5.625283    6.850732     1  2084  2085
2085  2084  H    -23.800480   -5.177629    7.453055     2  2083
2086  2085  H    -24.553615   -6.526756    7.122847     2  2083
2087  2086  O      9.915960  -18.818081  -10.745117     1  2087  2088
2088  2087  H     10.712611  -19.203292  -11.141880     2  2086
2089  2088  H      9.565343  -19.520030  -10.145307     2  2086
2090  2089  O    -15.005910    6.974996   13.475077     1  2090  2091
2091  2090  H    -14.054572    6.987202   13.681146     2  2089
2092  2091  H    -15.419531    6.799764   14.323064     2  2089
2093  2092  O    -11.369585   -1.335345   23.212566     1  2093  2094
2094  2093  H    -12.267746   -1.222751   22.888546     2  2092
2095  2094  H    -10.995052   -2.212171   22.925445     2  2092
2096  2095  O    -15.116589   -3.994737   19.100205     1  2096  2097
2097  2096  H    -16.081415   -3.945214   18.976480     2  2095
2098  2097  H    -14.993754   -3.543123   19.937026     2  2095
2099  2098  O    -16.207086   -9.682068   11.266644     1  2099  2100
2100  2099  H    -17.138402   -9.851102   11.121095     2  2098
2101  2100  H    -15.958998   -9.557625   12.211080     2  2098
2102  2101  O      6.742809  -21.697242  -12.490345     1  2102  2103
2103  2102  H      7.155608  -20.854516  -12.750561     2  2101
2104  2103  H      7.601975  -22.186598  -12.270889     2  2101
2105  2104  O    -13.056240   -4.877587    8.907149     1  2105  2106
2106  2105  H    -12.331756   -5.294981    9.451739     2  2104
2107  2106  H    -13.045013   -5.416363    8.070919     2  2104
2108  2107  O     -9.053368    8.088900   15.119723     1  2108  2109
2109  2108  H     -8.366117    8.663314   15.455441     2  2107
2110  2109  H     -8.643134    7.233165   14.853440     2  2107
2111  2110  O     -8.702130  -10.496739   18.793819     1  2111  2112
2112  2111  H     -7.936618  -10.063734   19.139101     2  2110
2113  2112  H     -8.988985  -11.208883   19.404729     2  2110
2114  2113  O      8.358941   20.339124   -7.957338     1  2114  2115
2115  2114  H      8.561617   20.236766   -8.934062     2  2113
2116  2115  H      8.608349   19.486378   -7.533560     2  2113
2117  2116  O    -14.621038   -2.380840   13.785690     1  2117  2118
2118  2117  H    -14.079253   -1.623807   13.529591     2  2116
2119  2118  H    -15.193982   -2.028257   14.534654     2  2116
2120  2119  O     -9.954175   -3.756836   23.615558     1  2120  2121
2121  2120  H    -10.107222   -4.134167   24.506746     2  2119
2122  2121  H     -9.165814   -4.320480   23.359197     2  2119
2123  2122  O    -21.077120   -0.091016   12.734304     1  2123  2124
2124  2123  H    -20.163937   -0.377663   12.845828     2  2122
2125  2124  H    -21.314943   -0.736064   12.042906     2  2122
2126  2125  O     12.582262  -21.304692   -6.683767     1  2126  2127
2127  2126  H     13.361734  -20.669024   -6.557012     2  2125
2128  2127  H     11.883704  -20.847595   -6.172379     2  2125
2129  2128  O    -19.012558    1.315892   10.729064     1  2129  2130
2130  2129  H    -19.702121    0.743395   10.346531     2  2128
2131  2130  H    -19.360022    1.797801   11.496578     2  2128
2132  2131  O    -24.860216   -0.889234   12.197216     1  2132  2133
2133  2132  H    -25.472051   -1.445240   12.649568     2  2131
2134  2133  H    -25.454059   -0.303589   11.629971     2  2131
2135  2134  O    -10.773959   -2.943025    8.995268     1  2135  2136
2136  2135  H    -10.389379   -2.092785    9.113670     2  2134
2137  2136  H    -11.415464   -3.122230    9.732695     2  2134
2138  2137  O    -15.217290   -6.963058    8.863617     1  2138  2139
2139  2138  H    -15.209943   -7.668902    9.493416     2  2137
2140  2139  H    -14.484178   -6.379045    9.104038     2  2137
2141  2140  O    -11.703790   -9.318594    8.506455     1  2141  2142
2142  2141  H    -10.928638   -9.897146    8.429380     2  2140
2143  2142  H    -12.026327   -9.355333    9.385520     2  2140
2144  2143  O    -24.065918   -0.525317    6.818329     1  2144  2145
2145  2144  H    -24.896897   -1.008215    6.918501     2  2143
2146  2145  H    -24.093340   -0.161477    5.935994     2  2143
2147  2146  O    -16.085018    1.875139   12.996108     1  2147  2148
2148  2147  H    -16.186111    2.892972   12.983833     2  2146
2149  2148  H    -15.288411    1.729009   13.572453     2  2146
2150  2149  O    -18.740786   -0.653070   21.910937     1  2150  2151
2151  2150  H    -19.249470   -0.250573   21.189708     2  2149
2152  2151  H    -18.695558   -1.596982   21.660969     2  2149
2153  2152  O    -20.427914   -3.760816   17.129692     1  2153  2154
2154  2153  H    -21.155607   -4.345002   16.997758     2  2152
2155  2154  H    -20.058039   -3.613108   16.242549     2  2152
2156  2155  O    -17.035662   -6.401873   16.923288     1  2156  2157
2157  2156  H    -17.504209   -7.184723   17.212186     2  2155
2158  2157  H    -17.438786   -5.752763   17.543769     2  2155
2159  2158  O    -24.172169    6.255109    9.865128     1  2159  2160
2160  2159  H    -24.230888    5.486508   10.445833     2  2158
2161  2160  H    -24.079692    7.046644   10.428131     2  2158
2162  2161  O    -26.736179    5.672844    9.396166     1  2162  2163
2163  2162  H    -26.650611    4.968408    8.739770     2  2161
2164  2163  H    -25.874194    6.066972    9.394788     2  2161
2165  2164  O    -14.301530   -7.130214   16.776394     1  2165  2166
2166  2165  H    -14.456660   -8.099954   16.764632     2  2164
2167  2166  H    -15.206274   -6.747223   16.718436     2  2164
2168  2167  O    -10.943206   -8.021191   14.886439     1  2168  2169
2169  2168  H    -11.668481   -8.506358   14.552306     2  2167
2170  2169  H    -10.210244   -7.998114   14.212537     2  2167
2171  2170  O    -15.878651    9.667018   13.302167     1  2171  2172
2172  2171  H    -15.510500    8.733416   13.259102     2  2170
2173  2172  H    -15.141594   10.305652   13.460603     2  2170
2174  2173  O    -14.125550   -3.191371   21.451026     1  2174  2175
2175  2174  H    -13.502316   -2.428244   21.388993     2  2173
2176  2175  H    -14.630405   -2.988682   22.222732     2  2173
2177  2176  O     12.836373  -18.211205   -3.271191     1  2177  2178
2178  2177  H     13.782156  -18.116145   -3.154433     2  2176
2179  2178  H     12.588352  -19.149252   -3.553059     2  2176
2180  2179  O    -13.670812    2.739598   22.561196     1  2180  2181
2181  2180  H    -12.809969    3.130118   22.365803     2  2179
2182  2181  H    -13.527689    1.837384   22.301492     2  2179
2183  2182  O    -13.534698   -9.471681   14.688529     1  2183  2184
2184  2183  H    -13.858573  -10.115445   15.366696     2  2182
2185  2184  H    -14.349164   -9.148923   14.307011     2  2182
2186  2185  O    -16.417949    5.119700   15.235350     1  2186  2187
2187  2186  H    -17.304565    5.097711   15.547278     2  2185
2188  2187  H    -16.449943    4.843708   14.299666     2  2185
2189  2188  O    -14.515509    4.918693   17.046030     1  2189  2190
2190  2189  H    -15.063461    4.821176   16.274257     2  2188
2191  2190  H    -15.041084    5.480460   17.659485     2  2188
2192  2191  O    -12.338662    6.539160   18.040565     1  2192  2193
2193  2192  H    -11.872047    7.187400   17.501319     2  2191
2194  2193  H    -12.889527    5.961619   17.438898     2  2191
2195  2194  O    -18.635153   -2.988884   15.013422     1  2195  2196
2196  2195  H    -18.560357   -2.071197   14.633085     2  2194
2197  2196  H    -17.823861   -3.423846   14.791218     2  2194
2198  2197  O    -12.331466    6.726768   13.643176     1  2198  2199
2199  2198  H    -12.136943    7.459028   13.092942     2  2197
2200  2199  H    -11.540530    6.159997   13.595688     2  2197
2201  2200  O    -13.552148   -2.520492   17.365420     1  2201  2202
2202  2201  H    -13.850573   -3.097677   18.114413     2  2200
2203  2202  H    -13.259629   -3.066982   16.615733     2  2200
2204  2203  O    -16.390937    1.568868   10.278877     1  2204  2205
2205  2204  H    -17.367825    1.381929   10.313118     2  2203
2206  2205  H    -16.111610    1.741459   11.174138     2  2203
2207  2206  O    -17.577234   -6.511593   12.816959     1  2207  2208
2208  2207  H    -17.296651   -5.607243   12.949630     2  2206
2209  2208  H    -17.615958   -6.640242   11.879504     2  2206
2210  2209  O     -7.919671    8.921995   21.846511     1  2210  2211
2211  2210  H     -7.489638    8.626185   22.653255     2  2209
2212  2211  H     -8.046820    9.845132   22.010582     2  2209
2213  2212  O    -12.663053   -9.515270   11.302694     1  2213  2214
2214  2213  H    -12.423496  -10.095515   12.063129     2  2212
2215  2214  H    -13.385242   -8.952006   11.553910     2  2212
2216  2215  O    -12.374657   -3.717968   15.341741     1  2216  2217
2217  2216  H    -12.983685   -4.225073   14.687195     2  2215
2218  2217  H    -11.936486   -4.311449   15.947368     2  2215
2219  2218  O    -12.600967   -1.194609   11.584359     1  2219  2220
2220  2219  H    -12.266362   -2.093321   11.467930     2  2218
2221  2220  H    -12.196529   -0.757545   12.367797     2  2218
2222  2221  O    -11.619253    0.218975   19.787873     1  2222  2223
2223  2222  H    -11.236888   -0.628879   19.488624     2  2221
2224  2223  H    -11.423130    0.744452   18.966687     2  2221
2225  2224  O    -13.293348   -6.289935   14.366772     1  2225  2226
2226  2225  H    -13.541318   -6.679704   15.226903     2  2224
2227  2226  H    -13.614670   -6.827326   13.631244     2  2224
2228  2227  O     -6.230813    9.396530   13.805990     1  2228  2229
2229  2228  H     -6.843237    9.019117   13.169695     2  2227
2230  2229  H     -5.791262    8.623663   14.258285     2  2227
2231  2230  O    -23.917121    3.454431   10.515907     1  2231  2232
2232  2231  H    -24.147371    2.927041   11.274151     2  2230
2233  2232  H    -23.654152    2.862749    9.778878     2  2230
2234  2233  O      8.375781   19.957007  -10.608879     1  2234  2235
2235  2234  H      8.219545   18.970386  -10.747518     2  2233
2236  2235  H      7.880003   20.506111  -11.194142     2  2233
2237  2236  O    -14.648526   -7.086839   11.778811     1  2237  2238
2238  2237  H    -15.426296   -7.628919   11.933597     2  2236
2239  2238  H    -14.929635   -6.186844   11.790952     2  2236
2240  2239  O    -18.022731   -0.456916   13.683710     1  2240  2241
2241  2240  H    -17.844651   -0.860404   12.839538     2  2239
2242  2241  H    -17.930358    0.545543   13.704751     2  2239
2243  2242  O    -22.283206   -2.267552    8.202101     1  2243  2244
2244  2243  H    -22.011480   -3.189800    7.986160     2  2242
2245  2244  H    -22.824908   -1.955321    7.490069     2  2242
2246  2245  O    -20.068494    5.135048   10.444473     1  2246  2247
2247  2246  H    -20.646447    4.779868   11.094508     2  2245
2248  2247  H    -20.621092    5.181060    9.684356     2  2245
2249  2248  O      9.172023  -20.966109   -8.872709     1  2249  2250
2250  2249  H      8.187453  -20.901704   -8.874229     2  2248
2251  2250  H      9.480250  -20.477932   -8.086170     2  2248
2252  2251  O    -12.993223   -1.605634    7.293470     1  2252  2253
2253  2252  H    -13.048676   -1.203533    8.140553     2  2251
2254  2253  H    -12.237778   -2.260094    7.304328     2  2251
2255  2254  O    -15.701626    2.054277   19.114494     1  2255  2256
2256  2255  H    -14.988902    1.811205   18.531779     2  2254
2257  2256  H    -15.359883    2.784080   19.566418     2  2254
2258  2257  O      9.110544   24.266071   -6.376377     1  2258  2259
2259  2258  H      9.633824   23.952793   -5.616061     2  2257
2260  2259  H      8.340987   23.582860   -6.368405     2  2257
2261  2260  O    -13.974348    4.745746   11.679824     1  2261  2262
2262  2261  H    -14.292474    4.704551   10.750134     2  2260
2263  2262  H    -14.362477    5.620077   11.985774     2  2260
2264  2263  O    -11.238099  -11.088104   13.056593     1  2264  2265
2265  2264  H    -11.763974  -11.346715   13.809330     2  2263
2266  2265  H    -10.838441  -11.923231   12.721456     2  2263
2267  2266  O    -10.226808   -8.832685   22.539713     1  2267  2268
2268  2267  H    -10.882539   -8.763160   23.289125     2  2266
2269  2268  H    -10.606268   -8.346021   21.762412     2  2266
2270  2269  O    -15.655843    8.253523   16.527640     1  2270  2271
2271  2270  H    -15.054875    8.991996   16.763554     2  2269
2272  2271  H    -15.632147    7.655527   17.297101     2  2269
2273  2272  O    -16.324100   -5.009208   14.567077     1  2273  2274
2274  2273  H    -16.774538   -5.548536   15.242900     2  2272
2275  2274  H    -15.437990   -5.343913   14.585491     2  2272
2276  2275  O      2.833495  -25.926820  -12.572261     1  2276  2277
2277  2276  H      2.601963  -24.980353  -12.504060     2  2275
2278  2277  H      3.608747  -26.020792  -13.168873     2  2275
2279  2278  O     25.504043   -7.249406    7.172478     1  2279  2280
2280  2279  H     24.814610   -6.788205    7.720046     2  2278
2281  2280  H     26.135877   -7.666371    7.760993     2  2278
2282  2281  O    -12.095085   11.705846   15.928436     1  2282  2283
2283  2282  H    -12.062469   10.755003   15.761054     2  2281
2284  2283  H    -12.569897   12.076161   15.171360     2  2281
2285  2284  O    -10.906397    7.962982   11.502159     1  2285  2286
2286  2285  H    -11.443683    7.742972   10.796217     2  2284
2287  2286  H    -10.540135    7.101726   11.732248     2  2284
2288  2287  O     12.579732   14.502047  -12.507547     1  2288  2289
2289  2288  H     13.057536   13.916031  -11.917951     2  2287
2290  2289  H     12.033745   15.095146  -12.009453     2  2287
2291  2290  O    -11.715437  -11.865102   15.922170     1  2291  2292
2292  2291  H    -12.022063  -12.458553   16.645483     2  2290
2293  2292  H    -11.368482  -11.147845   16.436779     2  2290
2294  2293  O    -25.562279   -5.957082   10.087251     1  2294  2295
2295  2294  H    -25.299279   -6.746608    9.633291     2  2293
2296  2295  H    -24.840076   -5.540743   10.587569     2  2293
2297  2296  O    -10.425844   -5.210054   19.308366     1  2297  2298
2298  2297  H    -10.521108   -5.334572   18.354881     2  2296
2299  2298  H     -9.499685   -4.905511   19.521144     2  2296
2300  2299  O    -11.249348   -6.594240   10.488366     1  2300  2301
2301  2300  H    -11.968806   -7.220464   10.480552     2  2299
2302  2301  H    -10.965196   -6.461553   11.412097     2  2299
2303  2302  O    -11.550932   -3.087122   25.901900     1  2303  2304
2304  2303  H    -11.280640   -2.753608   26.738781     2  2302
2305  2304  H    -11.407020   -2.459972   25.210172     2  2302
2306  2305  O    -12.871050    7.589359   21.255375     1  2306  2307
2307  2306  H    -12.845273    7.626435   20.306130     2  2305
2308  2307  H    -13.050282    8.536344   21.489901     2  2305
2309  2308  O    -17.247638    5.662593  -16.289803     1  2309  2310
2310  2309  H    -18.070577    5.227144  -16.460361     2  2308
2311  2310  H    -16.871734    5.285058  -15.517057     2  2308
2312  2311  O    -13.216497    9.635949  -16.513068     1  2312  2313
2313  2312  H    -13.076980    9.137462  -17.304991     2  2311
2314  2313  H    -12.714126    9.238725  -15.778319     2  2311
2315  2314  O    -17.122486   11.203818  -11.419311     1  2315  2316
2316  2315  H    -16.235363   11.607202  -11.387009     2  2314
2317  2316  H    -17.337649   11.082834  -12.366754     2  2314
2318  2317  O    -15.827599    9.853922  -14.991237     1  2318  2319
2319  2318  H    -15.511559    9.871346  -15.896242     2  2317
2320  2319  H    -15.371323    9.131396  -14.521289     2  2317
2321  2320  O    -10.723519   10.973655  -13.329201     1  2321  2322
2322  2321  H    -10.040316   10.709549  -12.673448     2  2320
2323  2322  H    -11.540269   10.578655  -13.029974     2  2320
2324  2323  O     15.385463   -8.109599   17.717322     1  2324  2325
2325  2324  H     15.641532   -8.283158   16.778382     2  2323
2326  2325  H     16.244102   -7.854799   18.087772     2  2323
2327  2326  O    -13.270443   10.185949  -12.940321     1  2327  2328
2328  2327  H    -13.578486    9.273388  -13.009969     2  2326
2329  2328  H    -13.651401   10.588568  -12.164191     2  2326
2330  2329  O    -12.784886    7.929534  -18.583440     1  2330  2331
2331  2330  H    -13.056961    7.036461  -18.352129     2  2329
2332  2331  H    -13.009182    8.054506  -19.501931     2  2329
2333  2332  O    -12.641579   17.000465  -12.110279     1  2333  2334
2334  2333  H    -11.989584   17.733339  -12.296360     2  2332
2335  2334  H    -12.126381   16.213133  -12.407246     2  2332
2336  2335  O    -14.721503   12.356479  -11.288451     1  2336  2337
2337  2336  H    -14.529191   12.818224  -10.500365     2  2335
2338  2337  H    -14.415085   12.930916  -12.033424     2  2335
2339  2338  O    -17.933268    8.187506  -14.720430     1  2339  2340
2340  2339  H    -17.575471    7.416934  -15.172522     2  2338
2341  2340  H    -17.365125    8.913948  -14.929056     2  2338
2342  2341  O    -20.229604    8.509643  -12.166530     1  2342  2343
2343  2342  H    -20.032334    9.378394  -12.494489     2  2341
2344  2343  H    -20.711067    7.904036  -12.761503     2  2341
2345  2344  O    -22.119424    8.588710   -6.958602     1  2345  2346
2346  2345  H    -21.901428    8.067660   -6.218415     2  2344
2347  2346  H    -22.937523    8.967828   -6.765821     2  2344
2348  2347  O     -9.118010   12.182154  -18.237751     1  2348  2349
2349  2348  H     -8.907052   11.563592  -17.478087     2  2347
2350  2349  H     -8.580852   11.866744  -18.991799     2  2347
2351  2350  O    -13.525594   12.842445  -13.666192     1  2351  2352
2352  2351  H    -12.723903   13.194080  -13.227812     2  2350
2353  2352  H    -13.504646   11.882493  -13.517165     2  2350
2354  2353  O    -10.732974   12.296709   -8.039484     1  2354  2355
2355  2354  H    -10.515574   12.464356   -9.044397     2  2353
2356  2355  H    -11.634102   11.945133   -8.124030     2  2353
2357  2356  O     -7.772588   25.819216   -1.199357     1  2357  2358
2358  2357  H     -7.985804   24.820469   -1.256446     2  2356
2359  2358  H     -7.644013   26.009042   -2.144006     2  2356
2360  2359  O    -20.863849    7.486213    6.794229     1  2360  2361
2361  2360  H    -19.933860    7.561178    7.054672     2  2359
2362  2361  H    -21.176093    8.420044    6.716126     2  2359
2363  2362  O    -15.366713   21.565633   -3.570105     1  2363  2364
2364  2363  H    -15.425785   20.655382   -3.333777     2  2362
2365  2364  H    -15.410876   21.569553   -4.555953     2  2362
2366  2365  O    -11.832990   25.073060    3.331138     1  2366  2367
2367  2366  H    -11.411691   25.952862    3.429874     2  2365
2368  2367  H    -11.022282   24.475699    3.060272     2  2365
2369  2368  O    -22.544296   11.368398   -2.630262     1  2369  2370
2370  2369  H    -22.584051   11.471567   -1.698919     2  2368
2371  2370  H    -23.273073   10.794278   -2.865829     2  2368
2372  2371  O      0.887422  -13.910928   18.577191     1  2372  2373
2373  2372  H      1.094385  -13.919872   17.616739     2  2371
2374  2373  H      1.593577  -14.473691   18.857456     2  2371
2375  2374  O      3.090584  -11.267935  -25.437415     1  2375  2376
2376  2375  H      3.118294  -10.858572  -26.320550     2  2374
2377  2376  H      2.204670  -11.695311  -25.309653     2  2374
2378  2377  O    -10.267402   25.107977    6.515451     1  2378  2379
2379  2378  H    -10.480656   24.981222    5.586240     2  2377
2380  2379  H     -9.613691   25.798968    6.562572     2  2377
2381  2380  O    -11.650966   25.248629   -2.693178     1  2381  2382
2382  2381  H    -11.833847   24.500535   -3.353647     2  2380
2383  2382  H    -11.516619   25.982423   -3.301273     2  2380
2384  2383  O    -13.353605   15.836592    3.941964     1  2384  2385
2385  2384  H    -13.099392   16.058260    3.006548     2  2383
2386  2385  H    -13.306869   16.705851    4.390584     2  2383
2387  2386  O      0.523977  -12.255998  -25.398312     1  2387  2388
2388  2387  H      0.240974  -12.912081  -24.733154     2  2386
2389  2388  H      0.376527  -12.748688  -26.209314     2  2386
2390  2389  O    -23.836364   10.218781    1.220964     1  2390  2391
2391  2390  H    -24.591470    9.890575    1.702796     2  2389
2392  2391  H    -23.541436   10.969662    1.788584     2  2389
2393  2392  O    -11.739493    8.890292   -6.761446     1  2393  2394
2394  2393  H    -11.060475    8.473097   -7.234995     2  2392
2395  2394  H    -11.373403    8.855507   -5.853099     2  2392
2396  2395  O    -21.867629   12.351312   -0.492488     1  2396  2397
2397  2396  H    -22.296952   13.203001   -0.570836     2  2395
2398  2397  H    -21.299581   12.361908    0.277306     2  2395
2399  2398  O    -19.265701   14.491866    6.017866     1  2399  2400
2400  2399  H    -18.323371   14.775590    5.975911     2  2398
2401  2400  H    -19.252942   13.567827    6.307357     2  2398
2402  2401  O    -10.177695   14.348904    0.477511     1  2402  2403
2403  2402  H     -9.445363   13.892130    0.850435     2  2401
2404  2403  H    -10.320172   14.019580   -0.439230     2  2401
2405  2404  O     -9.247991   27.955458    0.003557     1  2405  2406
2406  2405  H     -9.008543   27.053727   -0.370935     2  2404
2407  2406  H    -10.137853   27.966620    0.361260     2  2404
2408  2407  O     -8.430712    9.612237    1.404842     1  2408  2409
2409  2408  H     -9.380264    9.591960    1.284983     2  2407
2410  2409  H     -8.194477   10.059435    2.218183     2  2407
2411  2410  O    -16.392055   15.618925    5.820068     1  2411  2412
2412  2411  H    -15.544209   15.871334    6.176814     2  2410
2413  2412  H    -16.335369   16.108404    4.986731     2  2410
2414  2413  O    -12.668247   11.094667    7.629004     1  2414  2415
2415  2414  H    -12.825820   10.624653    8.491927     2  2413
2416  2415  H    -13.182446   10.633156    6.950209     2  2413
2417  2416  O    -11.101262   10.767711   -1.989710     1  2417  2418
2418  2417  H    -10.175700   10.507645   -2.075055     2  2416
2419  2418  H    -11.004973   11.703739   -2.036248     2  2416
2420  2419  O      5.513848   -6.445153  -24.798003     1  2420  2421
2421  2420  H      4.800157   -7.062015  -24.974267     2  2419
2422  2421  H      6.285158   -6.694352  -25.356143     2  2419
2423  2422  O    -14.770864   21.504029    5.596324     1  2423  2424
2424  2423  H    -14.214757   22.197269    5.207892     2  2422
2425  2424  H    -14.182448   21.040824    6.248636     2  2422
2426  2425  O    -24.067558   12.928438   -4.242563     1  2426  2427
2427  2426  H    -24.829963   12.521578   -3.847587     2  2425
2428  2427  H    -23.363225   12.964805   -3.594948     2  2425
2429  2428  O      8.832188   -4.376950   24.702271     1  2429  2430
2430  2429  H      8.451414   -4.608806   25.574355     2  2428
2431  2430  H      9.618138   -3.849546   24.907869     2  2428
2432  2431  O    -13.249987   13.893166   -6.486145     1  2432  2433
2433  2432  H    -13.368505   14.763967   -6.173805     2  2431
2434  2433  H    -12.632570   13.397992   -5.895443     2  2431
2435  2434  O    -11.877606   18.572547    4.268451     1  2435  2436
2436  2435  H    -11.465158   18.730022    3.432911     2  2434
2437  2436  H    -12.830075   18.686554    4.227441     2  2434
2438  2437  O    -16.401473   17.480274    3.665851     1  2438  2439
2439  2438  H    -17.240643   17.888828    3.623509     2  2437
2440  2439  H    -15.770332   18.216454    3.743858     2  2437
2441  2440  O    -17.682062   19.994596   -1.223813     1  2441  2442
2442  2441  H    -17.556111   19.381874   -0.473352     2  2440
2443  2442  H    -17.834130   20.925514   -0.915554     2  2440
2444  2443  O    -16.122927   10.002444   -3.421609     1  2444  2445
2445  2444  H    -16.552128   10.120497   -2.569749     2  2443
2446  2445  H    -15.607599    9.158273   -3.461257     2  2443
2447  2446  O    -18.163110   15.199872    0.817823     1  2447  2448
2448  2447  H    -18.660518   15.429346    1.634288     2  2446
2449  2448  H    -17.279763   14.889132    1.069863     2  2446
2450  2449  O    -19.481973   18.510857    3.063475     1  2450  2451
2451  2450  H    -20.321655   17.995089    3.002983     2  2449
2452  2451  H    -19.363609   18.532425    2.083753     2  2449
2453  2452  O    -14.538013   19.511261   -6.657978     1  2453  2454
2454  2453  H    -14.976370   18.875371   -6.090720     2  2452
2455  2454  H    -15.091772   20.277402   -6.778861     2  2452
2456  2455  O    -19.740420   14.923971    3.198270     1  2456  2457
2457  2456  H    -19.755832   14.734371    4.189777     2  2455
2458  2457  H    -20.568174   15.132230    2.735606     2  2455
2459  2458  O    -23.712333   14.800666   -0.728189     1  2459  2460
2460  2459  H    -23.285914   14.871682   -1.612357     2  2458
2461  2460  H    -24.229371   14.004934   -0.739419     2  2458
2462  2461  O    -13.864295   15.156215   -1.153429     1  2462  2463
2463  2462  H    -14.072607   15.308442   -0.215987     2  2461
2464  2463  H    -13.950966   16.033788   -1.572849     2  2461
2465  2464  O    -14.444489   21.791736   -0.790969     1  2465  2466
2466  2465  H    -14.644531   21.480818   -1.697703     2  2464
2467  2466  H    -13.828143   22.490044   -0.938892     2  2464
2468  2467  O     -9.995276   11.205221    7.171999     1  2468  2469
2469  2468  H    -10.883452   11.113065    7.484691     2  2467
2470  2469  H     -9.601571   11.782534    7.807369     2  2467
2471  2470  O    -13.308306   19.501730    6.819673     1  2471  2472
2472  2471  H    -12.494357   19.458238    7.301474     2  2470
2473  2472  H    -13.881922   18.896327    7.346314     2  2470
2474  2473  O     -8.727507    9.127773    8.536969     1  2474  2475
2475  2474  H     -9.606595    9.508748    8.516583     2  2473
2476  2475  H     -9.017243    8.215371    8.517643     2  2473
2477  2476  O    -15.319149   14.638532    1.680195     1  2477  2478
2478  2477  H    -14.803566   13.888156    1.911828     2  2476
2479  2478  H    -15.432652   15.108796    2.549923     2  2476
2480  2479  O    -21.438289   12.948626   -6.939538     1  2480  2481
2481  2480  H    -20.712266   12.306182   -6.876057     2  2479
2482  2481  H    -21.858021   13.104458   -6.041784     2  2479
2483  2482  O    -22.754722    8.710268   -0.891359     1  2483  2484
2484  2483  H    -22.491304    9.408559   -1.472675     2  2482
2485  2484  H    -23.070335    9.128498   -0.106405     2  2482
2486  2485  O      8.728667   -5.048162   27.438226     1  2486  2487
2487  2486  H      8.203949   -4.380519   27.981919     2  2485
2488  2487  H      9.600632   -4.674688   27.555440     2  2485
2489  2488  O    -24.323924    8.266232   -5.130347     1  2489  2490
2490  2489  H    -24.654606    7.412750   -5.534072     2  2488
2491  2490  H    -23.392477    7.992963   -4.919133     2  2488
2492  2491  O    -16.396446   16.026143   -9.009322     1  2492  2493
2493  2492  H    -15.537345   15.591838   -9.068475     2  2491
2494  2493  H    -16.855075   15.657554   -8.281192     2  2491
2495  2494  O    -17.697508    9.820436   -0.982323     1  2495  2496
2496  2495  H    -17.795873   10.785915   -0.813728     2  2494
2497  2496  H    -17.462507    9.495207   -0.101560     2  2494
2498  2497  O    -20.001752   12.594271    1.611012     1  2498  2499
2499  2498  H    -19.791412   13.278693    2.266235     2  2497
2500  2499  H    -19.171075   12.126731    1.684224     2  2497
2501  2500  O    -12.932163    9.898426   -0.411489     1  2501  2502
2502  2501  H    -13.850208   10.109611   -0.301004     2  2500
2503  2502  H    -12.603147   10.481040   -1.088617     2  2500
2504  2503  O    -18.175882   13.922286   -5.502265     1  2504  2505
2505  2504  H    -17.458786   13.540045   -5.028143     2  2503
2506  2505  H    -18.932079   13.913173   -4.871906     2  2503
2507  2506  O    -13.214394   17.261881   -9.615464     1  2507  2508
2508  2507  H    -13.007894   18.212130   -9.642064     2  2506
2509  2508  H    -13.343413   16.931144  -10.515378     2  2506
2510  2509  O    -10.618303   11.004418    4.221446     1  2510  2511
2511  2510  H    -11.083301   11.845565    4.385882     2  2509
2512  2511  H    -10.148745   10.847900    5.071803     2  2509
2513  2512  O    -14.878368   17.966965    1.328030     1  2513  2514
2514  2513  H    -14.602075   17.364888    1.985285     2  2512
2515  2514  H    -14.046445   18.180369    0.907182     2  2512
2516  2515  O    -10.386520   15.552035   -3.810042     1  2516  2517
2517  2516  H    -10.158163   15.420784   -4.744308     2  2515
2518  2517  H    -10.940784   16.347878   -3.702006     2  2515
2519  2518  O    -17.445696    8.876128   -9.991461     1  2519  2520
2520  2519  H    -18.329700    8.953715   -9.534867     2  2518
2521  2520  H    -17.327455    9.564715  -10.642975     2  2518
2522  2521  O      3.762400   -8.498202  -25.364112     1  2522  2523
2523  2522  H      2.864664   -8.363984  -25.760598     2  2521
2524  2523  H      3.993126   -9.433621  -25.292925     2  2521
2525  2524  O    -16.174476   10.448286   -7.822148     1  2525  2526
2526  2525  H    -16.681229   10.033851   -7.098427     2  2524
2527  2526  H    -16.349895    9.800690   -8.546215     2  2524
2528  2527  O    -26.058472    9.566173    2.842034     1  2528  2529
2529  2528  H    -26.520647   10.201691    3.377176     2  2527
2530  2529  H    -25.592151    8.877166    3.372825     2  2527
2531  2530  O    -20.268370   10.416419   -3.656142     1  2531  2532
2532  2531  H    -19.492208   10.507478   -3.064357     2  2530
2533  2532  H    -21.027984   10.791315   -3.128881     2  2530
2534  2533  O    -15.144585   21.871291    1.953212     1  2534  2535
2535  2534  H    -15.196160   21.727325    1.022456     2  2533
2536  2535  H    -16.078846   22.047106    2.184765     2  2533
2537  2536  O    -19.282413   18.826735   -3.410474     1  2537  2538
2538  2537  H    -19.189938   19.346272   -2.540637     2  2536
2539  2538  H    -18.833439   17.970762   -3.254197     2  2536
2540  2539  O    -25.252185   10.483695   -2.639798     1  2540  2541
2541  2540  H    -25.506278   10.133422   -3.560829     2  2539
2542  2541  H    -25.012810    9.659703   -2.149347     2  2539
2543  2542  O    -14.228637   16.485847    7.198676     1  2543  2544
2544  2543  H    -14.670552   16.514680    8.056934     2  2542
2545  2544  H    -13.607988   15.711125    7.251626     2  2542
2546  2545  O    -18.053536   12.586774   -8.000957     1  2546  2547
2547  2546  H    -17.324228   11.983509   -7.927077     2  2545
2548  2547  H    -18.152421   12.796734   -7.086618     2  2545
2549  2548  O    -11.447010   13.812205   -1.936582     1  2549  2550
2550  2549  H    -12.139529   14.464124   -1.867425     2  2548
2551  2550  H    -10.961735   14.084857   -2.751942     2  2548
2552  2551  O    -15.413720   12.712257   -4.974718     1  2552  2553
2553  2552  H    -15.559600   11.772382   -5.115670     2  2551
2554  2553  H    -14.500202   12.882114   -5.314787     2  2551
2555  2554  O    -12.253358   23.439395   -4.900258     1  2555  2556
2556  2555  H    -12.274048   22.473986   -5.021144     2  2554
2557  2556  H    -11.596462   23.746317   -5.510973     2  2554
2558  2557  O    -21.351501   10.152646    3.684877     1  2558  2559
2559  2558  H    -20.745895    9.904937    2.934500     2  2557
2560  2559  H    -21.753676   10.999807    3.416350     2  2557
2561  2560  O    -12.648598   13.206037    4.675644     1  2561  2562
2562  2561  H    -12.830811   14.150763    4.787880     2  2560
2563  2562  H    -13.351634   12.798072    5.216397     2  2560
2564  2563  O      9.955997   -5.449007  -25.668350     1  2564  2565
2565  2564  H      9.481455   -6.086199  -25.108987     2  2563
2566  2565  H      9.368420   -5.403260  -26.493339     2  2563
2567  2566  O    -12.083878   16.315923    1.468624     1  2567  2568
2568  2567  H    -11.286026   15.792512    1.241308     2  2566
2569  2568  H    -11.711012   17.226796    1.378871     2  2566
2570  2569  O    -14.741091   11.953152   -1.861146     1  2570  2571
2571  2570  H    -14.982709   11.383280   -2.572046     2  2569
2572  2571  H    -13.866501   12.358463   -2.005401     2  2569
2573  2572  O    -16.357307   17.181647   -5.408576     1  2573  2574
2574  2573  H    -15.654984   16.581345   -5.548710     2  2572
2575  2574  H    -17.039325   16.894824   -5.964836     2  2572
2576  2575  O    -11.970171   22.939387   -1.025144     1  2576  2577
2577  2576  H    -11.719464   22.223125   -1.646104     2  2575
2578  2577  H    -11.513849   23.674934   -1.340003     2  2575
2579  2578  O    -19.624196   14.098389   -3.147279     1  2579  2580
2580  2579  H    -19.241368   13.547166   -2.462987     2  2578
2581  2580  H    -19.126146   14.899825   -3.031672     2  2578
2582  2581  O     -8.026701   23.032209   -1.920881     1  2582  2583
2583  2582  H     -7.774617   22.184313   -1.562837     2  2581
2584  2583  H     -8.580617   22.945288   -2.720889     2  2581
2585  2584  O    -11.868046   17.875640   -4.671326     1  2585  2586
2586  2585  H    -12.396513   18.124383   -3.875411     2  2584
2587  2586  H    -11.342621   18.596376   -4.907411     2  2584
2588  2587  O    -12.011629   20.795043   -5.880811     1  2588  2589
2589  2588  H    -12.905487   20.538359   -6.013581     2  2587
2590  2589  H    -11.601199   20.239315   -6.478097     2  2587
2591  2590  O      6.404241  -12.284867   19.947523     1  2591  2592
2592  2591  H      6.355161  -13.187904   20.299732     2  2590
2593  2592  H      7.235359  -12.411171   19.452454     2  2590
2594  2593  O     -9.295097   24.235447    2.345357     1  2594  2595
2595  2594  H     -8.410564   24.536007    2.397377     2  2593
2596  2595  H     -9.474759   24.087626    1.383946     2  2593
2597  2596  O    -18.124699   13.005159   -1.039527     1  2597  2598
2598  2597  H    -17.374021   13.509713   -1.429249     2  2596
2599  2598  H    -18.468274   13.612333   -0.422903     2  2596
2600  2599  O    -13.233573    9.983924    5.183798     1  2600  2601
2601  2600  H    -13.696543    9.361719    4.603975     2  2599
2602  2601  H    -12.392746   10.119475    4.673162     2  2599
2603  2602  O    -16.885587    6.961925   -6.790768     1  2603  2604
2604  2603  H    -17.530615    7.560953   -6.466165     2  2602
2605  2604  H    -16.051065    7.507546   -6.747109     2  2602
2606  2605  O    -12.328845   12.177541   -4.591792     1  2606  2607
2607  2606  H    -12.380397   11.326980   -4.926190     2  2605
2608  2607  H    -11.399358   12.308902   -4.265200     2  2605
2609  2608  O    -16.678836   10.912474    5.179087     1  2609  2610
2610  2609  H    -16.461237   10.857160    4.214641     2  2608
2611  2610  H    -16.118742   11.681730    5.359680     2  2608
2612  2611  O    -13.659643   16.642862   -6.295208     1  2612  2613
2613  2612  H    -13.593141   16.822076   -7.230746     2  2611
2614  2613  H    -12.965729   17.242474   -5.897069     2  2611
2615  2614  O    -13.902461   17.752624   -2.052633     1  2615  2616
2616  2615  H    -13.528316   18.274707   -1.346092     2  2614
2617  2616  H    -14.648399   18.213219   -2.415614     2  2614
2618  2617  O    -16.072226   14.532397   -2.526100     1  2618  2619
2619  2618  H    -15.308567   14.390013   -1.915367     2  2617
2620  2619  H    -15.682073   14.165099   -3.336135     2  2617
2621  2620  O     -2.035750   27.657736   -2.808395     1  2621  2622
2622  2621  H     -1.945185   26.879997   -3.397533     2  2620
2623  2622  H     -2.863386   27.509823   -2.343527     2  2620
2624  2623  O    -22.680016   15.079274    2.212772     1  2624  2625
2625  2624  H    -22.769811   15.038120    1.219496     2  2623
2626  2625  H    -23.463784   15.606300    2.544988     2  2623
2627  2626  O      3.623702  -13.341555   21.652544     1  2627  2628
2628  2627  H      3.559120  -14.053931   22.295195     2  2626
2629  2628  H      2.932632  -13.521028   20.973164     2  2626
2630  2629  O     10.301268  -11.577629  -19.772842     1  2630  2631
2631  2630  H      9.604051  -12.155762  -19.382685     2  2629
2632  2631  H     10.530409  -11.973228  -20.623549     2  2629
2633  2632  O     11.178375   -3.106367  -24.955732     1  2633  2634
2634  2633  H     11.802228   -2.943742  -25.739949     2  2632
2635  2634  H     10.536572   -3.807473  -25.240988     2  2632
2636  2635  O    -13.949617   14.319060   -9.066617     1  2636  2637
2637  2636  H    -13.644917   13.828078   -8.242162     2  2635
2638  2637  H    -13.400570   15.098313   -9.195734     2  2635
2639  2638  O    -15.928203   18.824576   -3.219717     1  2639  2640
2640  2639  H    -16.637633   18.924961   -2.613117     2  2638
2641  2640  H    -16.186182   18.157991   -3.895449     2  2638
2642  2641  O    -17.734845   17.994121    0.884431     1  2642  2643
2643  2642  H    -16.801502   17.893541    1.107605     2  2641
2644  2643  H    -17.941544   17.074046    0.718973     2  2641
2645  2644  O    -11.545085   20.400079   -2.335119     1  2645  2646
2646  2645  H    -10.999900   19.812449   -1.780328     2  2644
2647  2646  H    -10.955903   20.610140   -3.056339     2  2644
2648  2647  O    -15.570539    7.100230  -10.699795     1  2648  2649
2649  2648  H    -15.175551    6.730140   -9.920749     2  2647
2650  2649  H    -16.327658    7.696374  -10.496505     2  2647
2651  2650  O    -15.177925   13.026318    6.409793     1  2651  2652
2652  2651  H    -15.641929   12.745745    7.240955     2  2650
2653  2652  H    -15.556720   13.901107    6.280327     2  2650
2654  2653  O    -13.320609   12.651981    2.136428     1  2654  2655
2655  2654  H    -13.115709   12.947053    3.032144     2  2653
2656  2655  H    -12.606547   12.949152    1.535047     2  2653
2657  2656  O    -23.001907   12.239505    3.071582     1  2657  2658
2658  2657  H    -23.237471   12.668503    3.904085     2  2656
2659  2658  H    -22.703235   12.974273    2.544711     2  2656
2660  2659  O     16.890596   -0.335277  -24.483409     1  2660  2661
2661  2660  H     16.399109   -0.439503  -25.376585     2  2659
2662  2661  H     16.160602   -0.123698  -23.853535     2  2659
2663  2662  O    -18.114934   16.361292   -2.309895     1  2663  2664
2664  2663  H    -18.202596   16.089281   -1.387685     2  2662
2665  2664  H    -17.291503   15.995548   -2.732445     2  2662
2666  2665  O    -18.720961    8.608068    1.699118     1  2666  2667
2667  2666  H    -18.174286    7.753230    1.793207     2  2665
2668  2667  H    -19.345944    8.372732    1.023857     2  2665
2669  2668  O    -10.218830   24.304417   -6.299677     1  2669  2670
2670  2669  H     -9.592152   25.033897   -6.316515     2  2668
2671  2670  H    -10.107592   23.927979   -7.136930     2  2668
2672  2671  O    -25.120268   12.309046   -0.401270     1  2672  2673
2673  2672  H    -24.678646   11.560435    0.078091     2  2671
2674  2673  H    -24.999237   12.018849   -1.344820     2  2671
2675  2674  O    -22.887877    9.595359    5.917210     1  2675  2676
2676  2675  H    -22.210056    9.606036    5.246387     2  2674
2677  2676  H    -22.808042   10.481591    6.337526     2  2674
2678  2677  O    -14.484377    7.798959   -3.135395     1  2678  2679
2679  2678  H    -15.093800    7.071716   -2.946788     2  2677
2680  2679  H    -13.689938    7.749836   -2.553472     2  2677
2681  2680  O    -11.739316    8.888448   -4.019878     1  2681  2682
2682  2681  H    -10.892236    8.423397   -3.837741     2  2680
2683  2682  H    -11.597432    9.729530   -3.526551     2  2680
2684  2683  O    -11.183291    9.461435    1.845389     1  2684  2685
2685  2684  H    -11.880219    9.932874    1.288344     2  2683
2686  2685  H    -11.065093   10.178317    2.506398     2  2683
2687  2686  O    -13.324197   10.867053   -7.995546     1  2687  2688
2688  2687  H    -14.219941   10.640576   -8.138684     2  2686
2689  2688  H    -12.885768   10.134940   -7.625865     2  2686
2690  2689  O    -15.194063   11.234307    0.928525     1  2690  2691
2691  2690  H    -15.409321   11.759034    0.183229     2  2689
2692  2691  H    -14.457618   11.682950    1.331805     2  2689
2693  2692  O    -12.249371   14.347171    7.578244     1  2693  2694
2694  2693  H    -11.879205   14.942770    6.913989     2  2692
2695  2694  H    -12.634457   13.511227    7.096342     2  2692
2696  2695  O    -12.450959   14.610352   10.420140     1  2696  2697
2697  2696  H    -11.915841   15.392041   10.648401     2  2695
2698  2697  H    -12.158406   14.492141    9.471837     2  2695
2699  2698  O    -19.557621   11.544913    5.630786     1  2699  2700
2700  2699  H    -18.756146   11.362426    5.188917     2  2698
2701  2700  H    -20.310358   11.286276    5.061125     2  2698
2702  2701  O    -14.515382   19.704764    3.648214     1  2702  2703
2703  2702  H    -14.922731   20.011562    2.823988     2  2701
2704  2703  H    -14.683849   20.456456    4.225278     2  2701
2705  2704  O     -9.632309   10.106207   12.886906     1  2705  2706
2706  2705  H    -10.339788    9.739794   12.323633     2  2704
2707  2706  H     -9.564333    9.463798   13.550808     2  2704
2708  2707  O     17.010561  -15.542791   -4.742529     1  2708  2709
2709  2708  H     17.274040  -16.229325   -4.070917     2  2707
2710  2709  H     16.445845  -14.895285   -4.255968     2  2707
2711  2710  O     14.873290  -12.778058  -12.608321     1  2711  2712
2712  2711  H     15.136516  -11.845324  -12.656789     2  2710
2713  2712  H     15.614345  -13.212891  -13.134412     2  2710
2714  2713  O    -15.149667   14.134265   11.109859     1  2714  2715
2715  2714  H    -14.175639   14.295767   11.056808     2  2713
2716  2715  H    -15.311948   14.159151   12.067996     2  2713
2717  2716  O    -10.786898   13.253889   17.660465     1  2717  2718
2718  2717  H    -11.580583   13.744322   17.738975     2  2716
2719  2718  H    -11.041225   12.792809   16.871252     2  2716
2720  2719  O    -10.711752   16.787276   10.408776     1  2720  2721
2721  2720  H    -10.100346   16.432457    9.709747     2  2719
2722  2721  H    -10.989460   17.640828    9.980833     2  2719
2723  2722  O    -18.970702   12.250781    8.399062     1  2723  2724
2724  2723  H    -19.215730   11.734060    7.606867     2  2722
2725  2724  H    -18.006254   12.170424    8.451891     2  2722
2726  2725  O    -16.003240   12.277224    8.953032     1  2726  2727
2727  2726  H    -15.793369   12.715708    9.720611     2  2725
2728  2727  H    -15.822458   11.323402    9.185963     2  2725
2729  2728  O     10.258698  -16.818805  -13.279225     1  2729  2730
2730  2729  H     11.085165  -17.395899  -13.176532     2  2728
2731  2730  H      9.868336  -16.755235  -12.376518     2  2728
2732  2731  O    -11.992790   19.311515   10.192985     1  2732  2733
2733  2732  H    -11.998050   20.125755    9.705834     2  2731
2734  2733  H    -12.843216   19.240343   10.571848     2  2731
2735  2734  O    -19.530944   10.302075   10.576939     1  2735  2736
2736  2735  H    -19.427089   10.880655    9.782811     2  2734
2737  2736  H    -18.853778   10.659274   11.150479     2  2734
2738  2737  O     12.742992  -13.437742  -14.119583     1  2738  2739
2739  2738  H     12.048038  -13.262512  -13.505321     2  2737
2740  2739  H     13.510234  -13.250299  -13.643904     2  2737
2741  2740  O     12.494105  -11.332077  -17.990321     1  2741  2742
2742  2741  H     11.628218  -11.430767  -18.458097     2  2740
2743  2742  H     12.665013  -12.226216  -17.588454     2  2740
2744  2743  O    -17.409810   11.679709   11.951668     1  2744  2745
2745  2744  H    -17.590838   11.413778   12.838427     2  2743
2746  2745  H    -16.560023   11.256081   11.807120     2  2743
2747  2746  O    -14.048061   11.602834   13.394456     1  2747  2748
2748  2747  H    -13.483003   11.787218   12.597162     2  2746
2749  2748  H    -14.553079   12.404690   13.524246     2  2746
2750  2749  O    -11.844359   12.388867   11.969954     1  2750  2751
2751  2750  H    -11.872031   13.254360   11.530375     2  2749
2752  2751  H    -11.324018   12.555617   12.783723     2  2749
2753  2752  O      8.290940  -13.039135  -18.227756     1  2753  2754
2754  2753  H      8.316879  -13.158684  -17.304407     2  2752
2755  2754  H      8.447616  -13.953133  -18.499066     2  2752
2756  2755  O      0.761817   27.347059   -9.721673     1  2756  2757
2757  2756  H      0.926471   27.905004  -10.524752     2  2755
2758  2757  H      1.199686   27.780822   -8.978751     2  2755
2759  2758  O     -7.489077  -19.547410   -8.917738     1  2759  2760
2760  2759  H     -8.403655  -19.393311   -8.913206     2  2758
2761  2760  H     -7.054398  -18.857878   -9.512568     2  2758
2762  2761  O      5.560915  -13.483313  -18.653138     1  2762  2763
2763  2762  H      6.400400  -13.082519  -18.387307     2  2761
2764  2763  H      4.947114  -12.747635  -18.823733     2  2761
2765  2764  O     -1.599764  -10.405879  -27.540243     1  2765  2766
2766  2765  H     -1.106214  -10.107339  -26.746858     2  2764
2767  2766  H     -2.192374   -9.637275  -27.665829     2  2764
2768  2767  O      7.594806  -15.304929  -13.478016     1  2768  2769
2769  2768  H      7.444132  -15.515933  -12.549548     2  2767
2770  2769  H      6.906785  -15.832419  -13.922617     2  2767
2771  2770  O     -0.580856   -9.938914  -25.111093     1  2771  2772
2772  2771  H     -0.200023  -10.776336  -24.895926     2  2770
2773  2772  H     -1.086308   -9.758124  -24.296396     2  2770
2774  2773  O     -0.096828  -12.157582  -11.511360     1  2774  2775
2775  2774  H     -0.337439  -11.265341  -11.243976     2  2773
2776  2775  H      0.863162  -12.069726  -11.611141     2  2773
2777  2776  O      2.534815  -11.385535  -12.052240     1  2777  2778
2778  2777  H      3.148549  -12.081840  -11.721997     2  2776
2779  2778  H      2.638753  -11.488640  -12.997508     2  2776
2780  2779  O      4.144756  -14.225196  -22.657044     1  2780  2781
2781  2780  H      5.007657  -13.686338  -22.540731     2  2779
2782  2781  H      4.111940  -14.729853  -21.842561     2  2779
2783  2782  O      4.162459  -13.485602  -11.535288     1  2783  2784
2784  2783  H      4.843024  -13.033283  -12.099404     2  2782
2785  2784  H      4.228673  -14.408431  -11.721203     2  2782
2786  2785  O     -6.569222  -17.846910  -10.736898     1  2786  2787
2787  2786  H     -7.390053  -17.480171  -11.204988     2  2785
2788  2787  H     -6.080220  -17.029633  -10.475489     2  2785
2789  2788  O      3.759838  -19.631271  -16.413325     1  2789  2790
2790  2789  H      4.544168  -19.093215  -16.289390     2  2788
2791  2790  H      3.139191  -18.924225  -16.483388     2  2788
2792  2791  O      0.144837  -23.333943  -10.791545     1  2792  2793
2793  2792  H     -0.554539  -23.845342  -11.251500     2  2791
2794  2793  H      0.170328  -23.566893   -9.866255     2  2791
2795  2794  O      1.859626  -12.543203  -21.517397     1  2795  2796
2796  2795  H      2.121497  -11.648923  -21.732740     2  2794
2797  2796  H      2.644106  -13.089180  -21.907746     2  2794
2798  2797  O      1.884997  -23.146155  -12.699687     1  2798  2799
2799  2798  H      1.313201  -23.262319  -13.448656     2  2797
2800  2799  H      1.290400  -22.964130  -11.965938     2  2797
2801  2800  O     -1.879806  -10.607686  -16.320896     1  2801  2802
2802  2801  H     -1.014805  -10.494205  -15.893509     2  2800
2803  2802  H     -1.909939   -9.890532  -17.024742     2  2800
2804  2803  O      4.773414   -9.077471  -13.525521     1  2804  2805
2805  2804  H      5.501081   -8.507841  -13.524693     2  2803
2806  2805  H      5.034525   -9.692456  -14.277898     2  2803
2807  2806  O      6.255400   -9.533617  -21.071088     1  2807  2808
2808  2807  H      7.032651   -9.046435  -20.768728     2  2806
2809  2808  H      5.746887   -8.810738  -21.453336     2  2806
2810  2809  O     -7.646080  -15.846709  -12.696514     1  2810  2811
2811  2810  H     -6.986750  -15.946577  -13.352550     2  2809
2812  2811  H     -8.473326  -16.157935  -13.122053     2  2809
2813  2812  O      4.296229  -22.684295  -11.358933     1  2813  2814
2814  2813  H      5.082683  -22.393887  -11.834525     2  2812
2815  2814  H      3.572862  -22.710372  -12.058205     2  2812
2816  2815  O      4.101377  -16.236095  -12.081584     1  2816  2817
2817  2816  H      3.912010  -16.875127  -11.392340     2  2815
2818  2817  H      4.807666  -16.657189  -12.565744     2  2815
2819  2818  O    -25.224536   11.093825    4.942390     1  2819  2820
2820  2819  H    -24.387718   10.573560    5.059505     2  2818
2821  2820  H    -25.722847   10.908274    5.717819     2  2818
2822  2821  O     -0.901490  -13.059254  -21.529687     1  2822  2823
2823  2822  H     -1.140288  -12.872578  -20.563820     2  2821
2824  2823  H      0.014214  -12.848192  -21.626980     2  2821
2825  2824  O     -1.315256  -15.750519  -21.624415     1  2825  2826
2826  2825  H     -0.920798  -14.872750  -21.436213     2  2824
2827  2826  H     -2.225744  -15.576329  -21.527416     2  2824
2828  2827  O      3.678088  -22.047846  -15.222144     1  2828  2829
2829  2828  H      2.870816  -22.517146  -15.416755     2  2827
2830  2829  H      3.607189  -21.139145  -15.492081     2  2827
2831  2830  O     -7.470658  -21.925441  -10.036797     1  2831  2832
2832  2831  H     -7.439711  -21.258526   -9.352099     2  2830
2833  2832  H     -7.960071  -22.639612   -9.589557     2  2830
2834  2833  O     -3.775035  -18.167964  -10.156386     1  2834  2835
2835  2834  H     -3.424599  -19.052670  -10.169011     2  2833
2836  2835  H     -4.737538  -18.395996  -10.358406     2  2833
2837  2836  O     -5.075662  -17.951482  -16.550882     1  2837  2838
2838  2837  H     -5.916417  -17.623108  -16.942263     2  2836
2839  2838  H     -5.117002  -17.598173  -15.639750     2  2836
2840  2839  O    -23.218588    2.180803   13.149851     1  2840  2841
2841  2840  H    -23.072107    3.072500   12.880295     2  2839
2842  2841  H    -22.349125    1.776113   13.072007     2  2839
2843  2842  O      1.013515  -19.711827  -12.501984     1  2843  2844
2844  2843  H      1.964871  -19.621550  -12.634757     2  2842
2845  2844  H      0.747313  -18.788059  -12.350364     2  2842
2846  2845  O     -0.862945  -17.988748   -5.661668     1  2846  2847
2847  2846  H     -1.078168  -17.350884   -6.360956     2  2845
2848  2847  H     -1.700372  -18.468078   -5.515082     2  2845
2849  2848  O     -3.145063  -16.612444  -12.551659     1  2849  2850
2850  2849  H     -2.355849  -16.245071  -12.956311     2  2848
2851  2850  H     -2.844616  -17.330498  -11.952295     2  2848
2852  2851  O     -6.224544  -12.377257  -18.459991     1  2852  2853
2853  2852  H     -5.649479  -11.817075  -17.909767     2  2851
2854  2853  H     -6.558070  -11.854265  -19.160218     2  2851
2855  2854  O     -1.341226  -21.260266  -18.466636     1  2855  2856
2856  2855  H     -0.387165  -21.443898  -18.402342     2  2854
2857  2856  H     -1.409650  -20.303886  -18.605693     2  2854
2858  2857  O     -1.665944  -12.733919  -18.758174     1  2858  2859
2859  2858  H     -1.898373  -13.496915  -18.172500     2  2857
2860  2859  H     -1.310269  -11.946086  -18.249485     2  2857
2861  2860  O      3.154258  -22.012343   -6.254210     1  2861  2862
2862  2861  H      3.244797  -21.715176   -7.144874     2  2860
2863  2862  H      2.327632  -21.603794   -5.926864     2  2860
2864  2863  O      4.693480  -15.997294  -20.512821     1  2864  2865
2865  2864  H      5.014052  -15.244681  -19.983936     2  2863
2866  2865  H      3.859142  -16.338150  -20.051404     2  2863
2867  2866  O     -7.032146  -13.730350  -10.968400     1  2867  2868
2868  2867  H     -6.691121  -13.033014  -11.562624     2  2866
2869  2868  H     -7.533011  -14.330614  -11.579939     2  2866
2870  2869  O     -2.584799  -15.057244  -17.711901     1  2870  2871
2871  2870  H     -3.547334  -15.026754  -17.746858     2  2869
2872  2871  H     -2.310428  -15.949725  -17.591891     2  2869
2873  2872  O      1.451458  -19.756357   -9.301278     1  2873  2874
2874  2873  H      0.788191  -19.981227   -8.592775     2  2872
2875  2874  H      0.947298  -19.887762  -10.167760     2  2872
2876  2875  O     -0.476587  -18.113414  -15.716552     1  2876  2877
2877  2876  H     -0.564528  -19.029383  -15.352637     2  2875
2878  2877  H     -1.195381  -18.075977  -16.361654     2  2875
2879  2878  O      5.830102  -11.333151  -15.612435     1  2879  2880
2880  2879  H      6.540363  -10.876049  -15.946994     2  2878
2881  2880  H      6.108973  -11.804423  -14.771729     2  2878
2882  2881  O     -8.051142  -20.670776  -12.385527     1  2882  2883
2883  2882  H     -7.980490  -21.185100  -11.564152     2  2881
2884  2883  H     -7.638184  -19.821687  -12.095258     2  2881
2885  2884  O      0.909184  -17.578062  -20.891338     1  2885  2886
2886  2885  H      0.051871  -17.209676  -21.065806     2  2884
2887  2886  H      1.155795  -17.090021  -20.065397     2  2884
2888  2887  O    -21.233644   17.220576    0.511655     1  2888  2889
2889  2888  H    -21.177030   17.285683   -0.418234     2  2887
2890  2889  H    -22.139604   17.187713    0.705599     2  2887
2891  2890  O      2.735552   -9.797391  -22.458750     1  2891  2892
2892  2891  H      2.503221   -8.805571  -22.265669     2  2890
2893  2892  H      2.968112   -9.819061  -23.379152     2  2890
2894  2893  O     -0.484426  -20.743800  -14.765023     1  2894  2895
2895  2894  H     -0.066427  -20.533791  -13.925602     2  2893
2896  2895  H      0.079181  -21.477978  -15.167563     2  2893
2897  2896  O     -3.384316  -14.285163  -15.212585     1  2897  2898
2898  2897  H     -3.552800  -13.659598  -15.940644     2  2896
2899  2898  H     -2.666297  -14.856624  -15.496771     2  2896
2900  2899  O     -1.559953  -26.292700   -8.243331     1  2900  2901
2901  2900  H     -1.422443  -27.144398   -8.704734     2  2899
2902  2901  H     -0.820445  -25.713020   -8.460646     2  2899
2903  2902  O     -6.693476  -11.461304  -14.247807     1  2903  2904
2904  2903  H     -7.325720  -11.204728  -13.573387     2  2902
2905  2904  H     -7.206681  -11.923113  -14.918280     2  2902
2906  2905  O     -2.821521  -13.055044  -12.629188     1  2906  2907
2907  2906  H     -1.962570  -12.749594  -12.968729     2  2905
2908  2907  H     -3.051797  -13.671753  -13.353086     2  2905
2909  2908  O     -7.752382  -10.066656  -22.646085     1  2909  2910
2910  2909  H     -6.848298  -10.175136  -22.230053     2  2908
2911  2910  H     -7.727162   -9.200379  -23.091790     2  2908
2912  2911  O      0.132071  -20.153819  -21.191604     1  2912  2913
2913  2912  H      0.321556  -20.801826  -20.470408     2  2911
2914  2913  H      0.599181  -19.341317  -21.035778     2  2911
2915  2914  O     25.245171    8.878478    7.676385     1  2915  2916
2916  2915  H     26.163497    8.685477    7.511978     2  2914
2917  2916  H     24.736965    8.058175    7.801224     2  2914
2918  2917  O      3.244486  -12.637750  -14.574901     1  2918  2919
2919  2918  H      2.975023  -12.255654  -15.417409     2  2917
2920  2919  H      4.191548  -12.473435  -14.496005     2  2917
2921  2920  O      6.427286  -20.140583   -9.563944     1  2921  2922
2922  2921  H      5.645616  -20.538949   -9.059913     2  2920
2923  2922  H      6.610463  -20.562402  -10.442909     2  2920
2924  2923  O     -4.266453   -9.014986  -14.820527     1  2924  2925
2925  2924  H     -4.847659   -8.323762  -14.422504     2  2923
2926  2925  H     -4.424408   -8.845203  -15.781222     2  2923
2927  2926  O      1.713179   -9.437075  -19.248472     1  2927  2928
2928  2927  H      1.772723   -8.965640  -20.109968     2  2926
2929  2928  H      2.647422   -9.731590  -19.112166     2  2926
2930  2929  O      1.047697  -13.659251  -19.092822     1  2930  2931
2931  2930  H      1.219962  -13.122511  -19.856197     2  2929
2932  2931  H      0.132162  -13.492946  -18.843719     2  2929
2933  2932  O     -9.634730  -17.210777  -10.733387     1  2933  2934
2934  2933  H     -9.681763  -16.893431   -9.825616     2  2932
2935  2934  H    -10.150239  -18.004710  -10.818676     2  2932
2936  2935  O     -2.739460  -10.255333  -20.375125     1  2936  2937
2937  2936  H     -2.484112  -11.152561  -20.062432     2  2935
2938  2937  H     -3.080662   -9.842905  -19.569813     2  2935
2939  2938  O      2.006380  -17.194191  -16.350742     1  2939  2940
2940  2939  H      1.159991  -17.691017  -16.271413     2  2938
2941  2940  H      2.109360  -16.677856  -15.509713     2  2938
2942  2941  O      5.870053  -17.883607  -16.125702     1  2942  2943
2943  2942  H      5.454617  -17.067728  -16.431555     2  2941
2944  2943  H      6.774909  -17.902006  -16.487550     2  2941
2945  2944  O      1.605643  -14.892574  -24.665723     1  2945  2946
2946  2945  H      2.329770  -15.320554  -24.143873     2  2944
2947  2946  H      2.098916  -14.406033  -25.249601     2  2944
2948  2947  O    -18.387570    7.475935    7.612746     1  2948  2949
2949  2948  H    -18.198453    6.571875    7.388377     2  2947
2950  2949  H    -18.120825    7.572000    8.515246     2  2947
2951  2950  O     -5.984411  -22.123850  -13.309257     1  2951  2952
2952  2951  H     -6.805423  -21.682980  -13.047041     2  2950
2953  2952  H     -6.156115  -22.221314  -14.297418     2  2950
2954  2953  O     -4.657505  -11.323534  -10.795503     1  2954  2955
2955  2954  H     -4.359876  -10.487730  -11.149853     2  2953
2956  2955  H     -4.197410  -11.976242  -11.307972     2  2953
2957  2956  O      6.424081  -12.639152  -13.151365     1  2957  2958
2958  2957  H      6.995725  -12.041493  -12.697922     2  2956
2959  2958  H      6.853646  -13.514482  -13.151725     2  2956
2960  2959  O      0.845073  -10.580925  -15.344083     1  2960  2961
2961  2960  H      1.513344  -10.549808  -16.014101     2  2959
2962  2961  H      0.784382   -9.808422  -14.792111     2  2959
2963  2962  O      0.397996   -9.698457   -7.155771     1  2963  2964
2964  2963  H      1.015718   -9.789788   -6.401288     2  2962
2965  2964  H      0.861038   -9.957881   -7.973922     2  2962
2966  2965  O     -8.034893  -10.488523   -7.026690     1  2966  2967
2967  2966  H     -7.807230  -11.179612   -7.633210     2  2965
2968  2967  H     -7.163921  -10.199812   -6.696548     2  2965
2969  2968  O    -26.582715    2.414964   12.757457     1  2969  2970
2970  2969  H    -26.215141    1.729915   12.133415     2  2968
2971  2970  H    -26.209226    2.207460   13.613764     2  2968
2972  2971  O     -3.943365  -15.480642  -20.949746     1  2972  2973
2973  2972  H     -4.308453  -15.026121  -20.171638     2  2971
2974  2973  H     -4.512119  -16.242514  -21.033456     2  2971
2975  2974  O      5.897672  -12.724948   -9.214931     1  2975  2976
2976  2975  H      5.217894  -12.358482   -9.836912     2  2974
2977  2976  H      5.431143  -13.453647   -8.760933     2  2974
2978  2977  O     -0.698430  -12.887305  -14.967550     1  2978  2979
2979  2978  H      0.041544  -12.266643  -14.991009     2  2977
2980  2979  H     -1.469116  -12.367306  -15.243624     2  2977
2981  2980  O     -0.164360  -17.302356  -11.599474     1  2981  2982
2982  2981  H      0.068029  -16.951273  -10.767890     2  2980
2983  2982  H     -0.114640  -16.524205  -12.173336     2  2980
2984  2983  O     -1.338841  -17.478879   -8.679544     1  2984  2985
2985  2984  H     -1.511944  -18.408178   -8.330347     2  2983
2986  2985  H     -2.154750  -17.351386   -9.188160     2  2983
2987  2986  O     -3.306873  -12.562371  -23.304418     1  2987  2988
2988  2987  H     -2.942556  -11.756437  -23.694183     2  2986
2989  2988  H     -2.642709  -12.787011  -22.612437     2  2986
2990  2989  O      2.338046  -16.112017  -18.966502     1  2990  2991
2991  2990  H      2.324715  -16.442422  -18.052321     2  2989
2992  2991  H      1.959067  -15.253995  -18.889117     2  2989
2993  2992  O      1.018983  -22.912626  -15.892908     1  2993  2994
2994  2993  H      0.954050  -23.866266  -15.721980     2  2992
2995  2994  H      1.023003  -22.763663  -16.833452     2  2992
2996  2995  O      0.566308  -27.484659  -12.623418     1  2996  2997
2997  2996  H      1.501489  -27.257957  -12.724318     2  2995
2998  2997  H      0.129738  -26.659643  -12.375026     2  2995
2999  2998  O      2.808421  -12.719039   -9.195404     1  2999  3000
3000  2999  H      2.745505  -13.344212   -9.864709     2  2998
3001  3000  H      2.243094  -11.960257   -9.512874     2  2998
3002  3001  O     -0.852856  -15.820847  -13.913969     1  3002  3003
3003  3002  H     -0.716886  -16.530849  -14.590460     2  3001
3004  3003  H     -0.611478  -14.989401  -14.274423     2  3001
3005  3004  O     -3.109971  -14.644506  -10.281275     1  3005  3006
3006  3005  H     -3.173123  -15.281978  -10.969837     2  3004
3007  3006  H     -3.013977  -13.763534  -10.691659     2  3004
3008  3007  O     -4.176162   -8.974332  -18.286468     1  3008  3009
3009  3008  H     -5.101119   -9.110835  -18.025345     2  3007
3010  3009  H     -3.868619   -8.191789  -17.904759     2  3007
3011  3010  O     20.701761   11.339616    9.500681     1  3011  3012
3012  3011  H     20.056584   11.471115    8.855397     2  3010
3013  3012  H     21.511660   10.985676    9.108385     2  3010
3014  3013  O      4.726504  -10.518868  -18.690086     1  3014  3015
3015  3014  H      5.104787  -10.201601  -19.538013     2  3013
3016  3015  H      5.241855  -10.022466  -18.060841     2  3013
3017  3016  O     -4.425221  -22.436590   -7.460337     1  3017  3018
3018  3017  H     -3.556094  -22.843078   -7.532603     2  3016
3019  3018  H     -4.803835  -22.646276   -8.360092     2  3016
3020  3019  O     -4.342442  -11.951599  -16.469056     1  3020  3021
3021  3020  H     -3.738631  -11.179135  -16.496056     2  3019
3022  3021  H     -4.795965  -11.917059  -15.563384     2  3019
3023  3022  O      5.758086  -12.355851  -21.661909     1  3023  3024
3024  3023  H      6.445630  -12.696285  -21.091441     2  3022
3025  3024  H      5.902053  -11.390789  -21.633175     2  3022
3026  3025  O     -1.070103  -25.297593  -12.254037     1  3026  3027
3027  3026  H     -1.650257  -25.753584  -11.671318     2  3025
3028  3027  H     -1.546380  -24.964000  -13.003413     2  3025
3029  3028  O      2.761075  -15.376794  -14.449390     1  3029  3030
3030  3029  H      2.999476  -15.650042  -13.550191     2  3028
3031  3030  H      2.728243  -14.407018  -14.413208     2  3028
3032  3031  O     22.462743   13.775828    5.018975     1  3032  3033
3033  3032  H     23.097805   13.179062    5.408181     2  3031
3034  3033  H     23.043072   14.527289    4.669326     2  3031
3035  3034  O     -0.453748  -13.819461   -9.420184     1  3035  3036
3036  3035  H     -1.200053  -14.384904   -9.721434     2  3034
3037  3036  H     -0.227927  -13.253585  -10.232491     2  3034
3038  3037  O     -9.379478   -6.830735  -11.753336     1  3038  3039
3039  3038  H     -9.604531   -6.115137  -11.091840     2  3037
3040  3039  H     -8.685270   -7.452979  -11.452401     2  3037
3041  3040  O      4.019552  -19.425905  -12.479646     1  3041  3042
3042  3041  H      4.662709  -19.344623  -11.722196     2  3040
3043  3042  H      4.462907  -18.952509  -13.206996     2  3040
3044  3043  O     -3.056235  -21.418823  -13.194080     1  3044  3045
3045  3044  H     -2.599620  -20.964546  -13.885178     2  3043
3046  3045  H     -3.985509  -21.360456  -13.307466     2  3043
3047  3046  O      4.974471  -15.445753  -16.633795     1  3047  3048
3048  3047  H      4.993209  -14.722049  -17.321633     2  3046
3049  3048  H      4.324830  -15.209062  -16.017587     2  3046
3050  3049  O     -5.221643  -16.368131  -14.287562     1  3050  3051
3051  3050  H     -4.999626  -15.516825  -14.679358     2  3049
3052  3051  H     -4.433141  -16.536692  -13.761595     2  3049
3053  3052  O      7.503935   -9.668504    2.288213     1  3053  3054
3054  3053  H      8.022392   -9.552563    1.497428     2  3052
3055  3054  H      6.616310   -9.585076    2.002847     2  3052
3056  3055  O      2.009719   25.781437    2.723510     1  3056  3057
3057  3056  H      1.278700   25.797533    3.400833     2  3055
3058  3057  H      2.751726   25.446359    3.226075     2  3055
3059  3058  O    -12.359256  -20.748418    7.150229     1  3059  3060
3060  3059  H    -11.526386  -20.960180    6.753606     2  3058
3061  3060  H    -12.242803  -20.101581    7.856619     2  3058
3062  3061  O      2.757737  -19.743841   -3.631169     1  3062  3063
3063  3062  H      2.557020  -18.867901   -4.028329     2  3061
3064  3063  H      3.739680  -19.684812   -3.565635     2  3061
3065  3064  O      6.514091  -11.866361    3.701985     1  3065  3066
3066  3065  H      5.608109  -11.509535    3.611031     2  3064
3067  3066  H      7.035162  -11.385991    3.047533     2  3064
3068  3067  O     -0.095891   27.082592   -0.934760     1  3068  3069
3069  3068  H     -0.556504   27.170453   -1.795278     2  3067
3070  3069  H      0.518580   26.315873   -1.007964     2  3067
3071  3070  O     -7.179077  -22.198885    3.837946     1  3071  3072
3072  3071  H     -6.918784  -21.371798    4.311884     2  3070
3073  3072  H     -6.709523  -22.919061    4.365348     2  3070
3074  3073  O      2.633994  -10.248746   -5.551015     1  3074  3075
3075  3074  H      3.042743  -11.095899   -5.805593     2  3073
3076  3075  H      3.342829   -9.590036   -5.691357     2  3073
3077  3076  O     -6.253402  -20.991960   -2.823320     1  3077  3078
3078  3077  H     -6.033464  -21.254472   -3.750725     2  3076
3079  3078  H     -5.807564  -21.607423   -2.198312     2  3076
3080  3079  O     -4.999470  -26.008840   -0.494227     1  3080  3081
3081  3080  H     -5.247711  -26.067958   -1.425892     2  3079
3082  3081  H     -5.821535  -25.986826    0.018709     2  3079
3083  3082  O     10.710647  -12.300846    5.697786     1  3083  3084
3084  3083  H      9.935265  -12.676710    5.233623     2  3082
3085  3084  H     10.377519  -11.831093    6.468036     2  3082
3086  3085  O      3.714017  -12.535717   -6.680814     1  3086  3087
3087  3086  H      3.501701  -12.816295   -7.577860     2  3085
3088  3087  H      3.316826  -13.222820   -6.169562     2  3085
3089  3088  O      0.816084  -14.351729    6.941273     1  3089  3090
3090  3089  H      0.785780  -14.116621    7.865046     2  3088
3091  3090  H     -0.115514  -14.179027    6.714743     2  3088
3092  3091  O      4.592934  -12.576664    6.785614     1  3092  3093
3093  3092  H      4.577696  -13.169455    7.534331     2  3091
3094  3093  H      5.436640  -12.077764    6.889373     2  3091
3095  3094  O      1.720482  -16.268201   -1.047747     1  3095  3096
3096  3095  H      2.578377  -15.953645   -0.963621     2  3094
3097  3096  H      1.302184  -15.806146   -0.317006     2  3094
3098  3097  O      8.688938  -12.661815    7.823985     1  3098  3099
3099  3098  H      7.988999  -12.152905    7.401063     2  3097
3100  3099  H      8.831911  -13.481123    7.432072     2  3097
3101  3100  O     -9.191077  -11.332656   -4.611023     1  3101  3102
3102  3101  H     -8.949969  -10.808371   -5.378188     2  3100
3103  3102  H     -9.757264  -10.750091   -4.063651     2  3100
3104  3103  O     -9.434772  -15.786831    8.138900     1  3104  3105
3105  3104  H     -9.353018  -15.950581    7.157754     2  3103
3106  3105  H     -8.790122  -16.385642    8.537584     2  3103
3107  3106  O      5.546083  -17.821308    2.186901     1  3107  3108
3108  3107  H      5.453274  -18.259178    1.349910     2  3106
3109  3108  H      5.200186  -16.936168    2.146372     2  3106
3110  3109  O      2.888931  -25.752343    8.943924     1  3110  3111
3111  3110  H      3.213741  -25.141002    8.248488     2  3109
3112  3111  H      2.921597  -25.221246    9.751400     2  3109
3113  3112  O      1.205855  -12.095073    4.086978     1  3113  3114
3114  3113  H      0.612138  -11.976643    4.816032     2  3112
3115  3114  H      0.674219  -12.309120    3.359702     2  3112
3116  3115  O    -11.161319  -24.753445   -2.819347     1  3116  3117
3117  3116  H    -11.398258  -25.126673   -3.700775     2  3115
3118  3117  H    -11.009707  -23.828987   -3.028800     2  3115
3119  3118  O     -8.476434  -23.168942    1.266529     1  3119  3120
3120  3119  H     -8.143300  -24.032177    1.028732     2  3118
3121  3120  H     -8.225452  -23.017441    2.189516     2  3118
3122  3121  O     -6.127904  -22.163873   -5.354858     1  3122  3123
3123  3122  H     -5.912887  -23.012255   -4.957474     2  3121
3124  3123  H     -5.569233  -21.969594   -6.107265     2  3121
3125  3124  O      5.202287  -26.292260   -7.213067     1  3125  3126
3126  3125  H      5.876477  -26.183721   -7.900341     2  3124
3127  3126  H      5.444439  -25.652845   -6.493195     2  3124
3128  3127  O     -0.986113  -25.294382    4.213874     1  3128  3129
3129  3128  H     -1.009168  -25.708539    3.306950     2  3127
3130  3129  H     -1.532159  -24.512990    4.073638     2  3127
3131  3130  O      0.761017  -22.318528    3.432380     1  3131  3132
3132  3131  H     -0.197882  -22.575897    3.537286     2  3130
3133  3132  H      0.995733  -21.766945    4.165904     2  3130
3134  3133  O      8.978899  -21.005738   -1.175769     1  3134  3135
3135  3134  H      9.846535  -21.454873   -0.977279     2  3133
3136  3135  H      9.168003  -20.052344   -1.073112     2  3133
3137  3136  O      0.325445   -9.123214   -0.632865     1  3137  3138
3138  3137  H     -0.201453   -9.720412   -1.153635     2  3136
3139  3138  H      1.207372   -9.357186   -0.979645     2  3136
3140  3139  O      6.509547   -8.698315    8.128479     1  3140  3141
3141  3140  H      6.040945   -9.135179    8.766946     2  3139
3142  3141  H      7.339569   -8.427226    8.530031     2  3139
3143  3142  O      8.644604   -7.426996   -1.860761     1  3143  3144
3144  3143  H      8.905021   -8.157856   -2.408736     2  3142
3145  3144  H      9.503315   -7.011746   -1.579240     2  3142
3146  3145  O     -9.113296  -17.261530    5.637075     1  3146  3147
3147  3146  H     -8.492248  -16.957817    4.993709     2  3145
3148  3147  H     -9.785877  -17.634236    5.059425     2  3145
3149  3148  O     -0.240286  -12.909556   -3.257798     1  3149  3150
3150  3149  H      0.657613  -13.239407   -3.314093     2  3148
3151  3150  H     -0.787625  -13.321091   -3.922596     2  3148
3152  3151  O      8.175602   26.490723    1.436537     1  3152  3153
3153  3152  H      8.508010   25.647135    0.946588     2  3151
3154  3153  H      7.516079   26.108142    2.029721     2  3151
3155  3154  O    -10.071303  -15.873961   -4.800922     1  3155  3156
3156  3155  H     -9.150072  -16.277240   -4.765871     2  3154
3157  3156  H     -9.860333  -15.053722   -5.272193     2  3154
3158  3157  O      3.476697  -23.826166    3.669500     1  3158  3159
3159  3158  H      2.813077  -23.171517    3.398117     2  3157
3160  3159  H      4.351493  -23.467184    3.888895     2  3157
3161  3160  O      8.116198  -24.601745    2.335962     1  3161  3162
3162  3161  H      8.714454  -24.347772    3.078672     2  3160
3163  3162  H      8.186326  -23.810787    1.760748     2  3160
3164  3163  O      7.356638  -23.886021   -1.964666     1  3164  3165
3165  3164  H      6.792191  -24.467402   -1.395557     2  3163
3166  3165  H      8.318967  -24.119432   -1.752013     2  3163
3167  3166  O     -8.406824  -19.412939    7.222472     1  3167  3168
3168  3167  H     -8.989149  -20.097042    6.815285     2  3166
3169  3168  H     -8.652406  -18.584226    6.775301     2  3166
3170  3169  O     -9.245701  -21.776877   -0.979959     1  3170  3171
3171  3170  H     -9.716318  -22.596628   -0.865401     2  3169
3172  3171  H     -8.325607  -21.830442   -1.387912     2  3169
3173  3172  O      9.333661  -15.154617    2.720689     1  3173  3174
3174  3173  H      8.754639  -15.253181    1.938826     2  3172
3175  3174  H      9.098075  -14.325059    3.147771     2  3172
3176  3175  O      0.897900  -26.301142   -2.136814     1  3176  3177
3177  3176  H      1.776734  -26.303503   -2.492803     2  3175
3178  3177  H      0.744874  -27.065708   -1.612077     2  3175
3179  3178  O     -3.668878  -18.165991   -0.652736     1  3179  3180
3180  3179  H     -3.106707  -18.907088   -0.640877     2  3178
3181  3180  H     -4.480756  -18.466741   -0.945706     2  3178
3182  3181  O      1.618368  -17.356422   -4.750901     1  3182  3183
3183  3182  H      2.049142  -16.945741   -5.563600     2  3181
3184  3183  H      0.719122  -17.534377   -4.961240     2  3181
3185  3184  O     -1.336849  -15.508087   -1.616861     1  3185  3186
3186  3185  H     -0.488655  -15.204967   -2.003568     2  3184
3187  3186  H     -1.336882  -15.460596   -0.665591     2  3184
3188  3187  O     -5.165438  -23.044628   -1.030357     1  3188  3189
3189  3188  H     -5.377505  -23.926992   -1.282561     2  3187
3190  3189  H     -5.369345  -23.025653   -0.051428     2  3187
3191  3190  O     -3.488458  -14.279399    3.393438     1  3191  3192
3192  3191  H     -4.354094  -14.498981    3.758570     2  3190
3193  3192  H     -3.488154  -14.768742    2.582516     2  3190
3194  3193  O      5.167569  -24.709855   -9.650291     1  3194  3195
3195  3194  H      4.657071  -24.030781  -10.067274     2  3193
3196  3195  H      5.359762  -25.480664  -10.243428     2  3193
3197  3196  O     13.600743  -17.042604    2.798271     1  3197  3198
3198  3197  H     13.076380  -16.225052    2.695438     2  3196
3199  3198  H     14.361009  -16.646207    3.284230     2  3196
3200  3199  O      4.858977  -19.654475    4.157685     1  3200  3201
3201  3200  H      3.925684  -19.647993    4.547055     2  3199
3202  3201  H      4.823503  -18.991331    3.457970     2  3199
3203  3202  O     -8.490955  -19.772986    9.893239     1  3203  3204
3204  3203  H     -8.548643  -19.654602    8.917173     2  3202
3205  3204  H     -8.697890  -18.971092   10.333633     2  3202
3206  3205  O     -0.583888  -22.929344    7.567459     1  3206  3207
3207  3206  H     -0.967915  -23.818599    7.624725     2  3205
3208  3207  H     -0.936485  -22.267877    8.223655     2  3205
3209  3208  O     -3.025848  -16.356746    1.423702     1  3209  3210
3210  3209  H     -3.509998  -17.188415    1.249560     2  3208
3211  3210  H     -3.180671  -15.743029    0.669784     2  3208
3212  3211  O     -1.666732  -25.690605    1.423561     1  3212  3213
3213  3212  H     -2.563230  -25.826163    1.762203     2  3211
3214  3213  H     -1.264800  -26.537521    1.308095     2  3211
3215  3214  O      0.742484  -21.991522    0.394213     1  3215  3216
3216  3215  H      0.835847  -22.440128    1.297350     2  3214
3217  3216  H      0.562885  -22.673175   -0.223588     2  3214
3218  3217  O      2.371481  -20.327909    5.223742     1  3218  3219
3219  3218  H      1.762663  -19.632300    5.146917     2  3217
3220  3219  H      2.283472  -20.798280    6.087867     2  3217
3221  3220  O      2.635835  -17.284413    8.622144     1  3221  3222
3222  3221  H      3.372965  -17.841493    8.300371     2  3220
3223  3222  H      2.488613  -16.632446    7.927453     2  3220
3224  3223  O     -3.293371  -19.511735   -5.171377     1  3224  3225
3225  3224  H     -3.407415  -18.655202   -4.759944     2  3223
3226  3225  H     -3.731354  -19.337055   -6.001654     2  3223
3227  3226  O      5.154494  -21.085351   -4.692469     1  3227  3228
3228  3227  H      4.308428  -21.398098   -5.018407     2  3226
3229  3228  H      5.317951  -21.477354   -3.789896     2  3226
3230  3229  O     -4.270504  -18.092896    9.932377     1  3230  3231
3231  3230  H     -4.025265  -18.897743   10.374766     2  3229
3232  3231  H     -3.473084  -17.572261    9.807668     2  3229
3233  3232  O      5.571296  -14.640710   -7.451278     1  3233  3234
3234  3233  H      5.705404  -15.555376   -7.752290     2  3232
3235  3234  H      5.102890  -14.738723   -6.574131     2  3232
3236  3235  O     -5.064116  -14.373784    0.497081     1  3236  3237
3237  3236  H     -5.504182  -15.145001    0.193090     2  3235
3238  3237  H     -4.716358  -14.024326   -0.340153     2  3235
3239  3238  O     -1.882047  -19.307250    2.904690     1  3239  3240
3240  3239  H     -1.545202  -18.980752    3.741145     2  3238
3241  3240  H     -1.456789  -18.792357    2.203631     2  3238
3242  3241  O     -0.354848  -12.684232    1.842753     1  3242  3243
3243  3242  H     -1.299475  -12.915203    1.999847     2  3241
3244  3243  H     -0.361043  -12.133215    1.010533     2  3241
3245  3244  O      0.189645  -18.889314    1.112103     1  3245  3246
3246  3245  H      0.200641  -19.792757    1.411659     2  3244
3247  3246  H      0.815901  -18.886807    0.348441     2  3244
3248  3247  O      4.246430  -20.405043    8.969849     1  3248  3249
3249  3248  H      3.498540  -20.765291    8.484740     2  3247
3250  3249  H      3.888585  -20.120336    9.847282     2  3247
3251  3250  O     -5.268212  -24.812334   -4.955986     1  3251  3252
3252  3251  H     -4.465707  -25.266544   -5.337728     2  3250
3253  3252  H     -5.703182  -25.393036   -4.371166     2  3250
3254  3253  O      4.047989  -12.821311    0.578524     1  3254  3255
3255  3254  H      4.016369  -12.086550    1.166709     2  3253
3256  3255  H      4.232400  -13.650345    1.050658     2  3253
3257  3256  O      3.239788  -17.434927   -9.455544     1  3257  3258
3258  3257  H      2.634922  -16.693989   -9.239005     2  3256
3259  3258  H      2.739818  -18.197343   -9.190339     2  3256
3260  3259  O     -5.829197   -8.395500    5.392245     1  3260  3261
3261  3260  H     -5.071543   -8.131510    5.882868     2  3259
3262  3261  H     -5.730573   -9.331473    5.354391     2  3259
3263  3262  O      8.992022  -26.850238    1.131493     1  3263  3264
3264  3263  H      8.603487  -26.131937    1.658718     2  3262
3265  3264  H      8.254490  -27.440610    1.062929     2  3262
3266  3265  O     -3.953658  -17.021918    6.093626     1  3266  3267
3267  3266  H     -4.447549  -17.831345    6.134018     2  3265
3268  3267  H     -4.532795  -16.481662    5.552351     2  3265
3269  3268  O      7.456214  -18.661655    4.799320     1  3269  3270
3270  3269  H      6.611592  -19.052120    4.641325     2  3268
3271  3270  H      7.752588  -19.260933    5.498795     2  3268
3272  3271  O     -1.407875  -18.439610    5.529433     1  3272  3273
3273  3272  H     -0.726554  -17.824374    5.779324     2  3271
3274  3273  H     -2.235462  -17.912779    5.855861     2  3271
3275  3274  O      6.679995   27.759418    4.385280     1  3275  3276
3276  3275  H      6.025261   27.661588    5.153835     2  3274
3277  3276  H      6.171937   28.397738    3.757423     2  3274
3278  3277  O      7.823884  -22.041112    1.122668     1  3278  3279
3279  3278  H      7.948497  -21.852614    0.213944     2  3277
3280  3279  H      8.252206  -21.351529    1.624881     2  3277
3281  3280  O      0.465956  -24.299138   -8.184452     1  3281  3282
3282  3281  H      1.401418  -24.542396   -8.108159     2  3280
3283  3282  H      0.243225  -24.055574   -7.254870     2  3280
3284  3283  O     -2.710548  -27.698092    4.739391     1  3284  3285
3285  3284  H     -1.884867  -28.100328    5.057851     2  3283
3286  3285  H     -2.531459  -26.794019    4.896896     2  3283
3287  3286  O      7.030675  -10.970983    6.526080     1  3287  3288
3288  3287  H      6.879532  -10.076928    6.938598     2  3286
3289  3288  H      7.045337  -10.868189    5.580317     2  3286
3290  3289  O     -6.183034   -7.835739   -8.260603     1  3290  3291
3291  3290  H     -6.722661   -7.258647   -7.714195     2  3289
3292  3291  H     -5.859737   -8.510269   -7.703749     2  3289
3293  3292  O     -7.252757  -16.882278    9.007039     1  3293  3294
3294  3293  H     -6.472164  -17.091395    8.410458     2  3292
3295  3294  H     -6.901117  -17.354824    9.851450     2  3292
3296  3295  O     -0.790926  -16.254308    3.573963     1  3296  3297
3297  3296  H     -1.202410  -15.891862    4.360823     2  3295
3298  3297  H     -1.583826  -16.370011    3.040103     2  3295
3299  3298  O     -2.836582  -25.054212   -6.118292     1  3299  3300
3300  3299  H     -2.250612  -25.181480   -5.366363     2  3298
3301  3300  H     -2.414964  -25.570880   -6.866182     2  3298
3302  3301  O      2.985897  -24.942458   -8.020221     1  3302  3303
3303  3302  H      3.250227  -25.366091   -7.198152     2  3301
3304  3303  H      3.817396  -24.665066   -8.416838     2  3301
3305  3304  O      6.455094  -11.402687   -5.697728     1  3305  3306
3306  3305  H      5.669124  -11.699300   -6.206626     2  3304
3307  3306  H      7.143453  -12.090965   -5.909779     2  3304
3308  3307  O     -0.155196   -5.646183   -4.384902     1  3308  3309
3309  3308  H     -0.357788   -5.948009   -3.528985     2  3307
3310  3309  H     -0.749280   -6.167259   -4.945236     2  3307
3311  3310  O      1.236061   23.534979   -5.613190     1  3311  3312
3312  3311  H      0.687260   23.884991   -6.350207     2  3310
3313  3312  H      1.752165   22.821015   -6.027506     2  3310
3314  3313  O     -2.425583  -21.286877    5.942169     1  3314  3315
3315  3314  H     -1.640564  -21.444304    6.473713     2  3313
3316  3315  H     -2.275443  -20.438988    5.476389     2  3313
3317  3316  O      6.345940  -27.330806   -5.050013     1  3317  3318
3318  3317  H      6.409628  -26.458097   -4.684207     2  3316
3319  3318  H      6.748401  -27.203656   -5.916170     2  3316
3320  3319  O     -5.533825  -15.115628    4.932422     1  3320  3321
3321  3320  H     -5.913829  -14.789050    5.719180     2  3319
3322  3321  H     -6.254017  -15.633837    4.446219     2  3319
3323  3322  O      0.060891  -23.760192   -1.438414     1  3323  3324
3324  3323  H     -0.873730  -23.773716   -1.626743     2  3322
3325  3324  H      0.292758  -24.648815   -1.692260     2  3322
3326  3325  O     -1.501756  -20.175497   -7.924515     1  3326  3327
3327  3326  H     -2.045913  -20.707838   -7.397329     2  3325
3328  3327  H     -1.640899  -20.491489   -8.821571     2  3325
3329  3328  O     11.391491  -22.257920   -1.167946     1  3329  3330
3330  3329  H     11.979516  -22.313420   -0.357455     2  3328
3331  3330  H     10.951738  -23.091998   -1.231879     2  3328
3332  3331  O     -6.282917  -26.682908   -2.865525     1  3332  3333
3333  3332  H     -6.195574  -27.586450   -3.173941     2  3331
3334  3333  H     -7.196730  -26.459174   -2.896823     2  3331
3335  3334  O      1.064101  -21.436260   10.945240     1  3335  3336
3336  3335  H      1.163864  -20.607363   11.541819     2  3334
3337  3336  H      0.256029  -21.210220   10.557522     2  3334
3338  3337  O     -3.673605  -17.424264   -3.287579     1  3338  3339
3339  3338  H     -4.613220  -17.720560   -3.033674     2  3337
3340  3339  H     -3.261086  -17.140694   -2.481029     2  3337
3341  3340  O     -9.286354  -20.234339    1.782655     1  3341  3342
3342  3341  H     -8.920869  -20.946885    1.274276     2  3340
3343  3342  H     -9.927962  -19.737780    1.165436     2  3340
3344  3343  O     -9.397623  -12.343028   -0.974316     1  3344  3345
3345  3344  H     -9.416311  -13.258304   -1.411160     2  3343
3346  3345  H    -10.036242  -12.424555   -0.248361     2  3343
3347  3346  O      8.307852  -18.078303    0.285660     1  3347  3348
3348  3347  H      9.013755  -18.039223   -0.395573     2  3346
3349  3348  H      8.096050  -17.122439    0.496735     2  3346
3350  3349  O      0.845939  -16.160718   -8.497026     1  3350  3351
3351  3350  H      0.599055  -15.336133   -9.012260     2  3349
3352  3351  H      0.057177  -16.654180   -8.365934     2  3349
3353  3352  O     -6.528931   26.461490   -3.774269     1  3353  3354
3354  3353  H     -7.202388   26.239552   -4.436690     2  3352
3355  3354  H     -6.055546   25.586605   -3.593757     2  3352
3356  3355  O     -8.091084  -20.321724   -6.111577     1  3356  3357
3357  3356  H     -7.503681  -20.907099   -5.635278     2  3355
3358  3357  H     -7.757352  -20.270748   -7.005250     2  3355
3359  3358  O      8.773369  -16.984958   -7.791436     1  3359  3360
3360  3359  H      7.764521  -16.761958   -7.800639     2  3358
3361  3360  H      9.100552  -16.496471   -8.591308     2  3358
3362  3361  O      3.179432  -27.194687   -9.991454     1  3362  3363
3363  3362  H      3.231798  -26.767426  -10.794399     2  3361
3364  3363  H      3.044817  -26.482686   -9.337023     2  3361
3365  3364  O     -3.652644  -14.095648    9.204460     1  3365  3366
3366  3365  H     -3.160825  -13.291265    8.854343     2  3364
3367  3366  H     -4.204752  -14.274750    8.444388     2  3364
3368  3367  O     -4.983078  -22.733465    1.683838     1  3368  3369
3369  3368  H     -4.190927  -22.282499    1.355737     2  3367
3370  3369  H     -5.586206  -22.085989    2.165334     2  3367
3371  3370  O    -19.633342    1.468126   15.259689     1  3371  3372
3372  3371  H    -18.938688    1.679080   15.878118     2  3370
3373  3372  H    -20.357363    1.069913   15.745092     2  3370
3374  3373  O    -11.389064  -22.787336    0.800707     1  3374  3375
3375  3374  H    -11.723895  -23.698485    0.672818     2  3373
3376  3375  H    -10.473968  -23.022109    1.211851     2  3373
3377  3376  O     -3.672424  -11.725500   -4.532522     1  3377  3378
3378  3377  H     -4.493980  -11.346181   -4.950875     2  3376
3379  3378  H     -2.910641  -11.225614   -4.931548     2  3376
3380  3379  O     -9.113490  -15.050935   -0.584774     1  3380  3381
3381  3380  H     -9.629612  -15.541540   -1.227047     2  3379
3382  3381  H     -8.162961  -15.267046   -0.599886     2  3379
3383  3382  O     -3.879055  -24.365232    9.483443     1  3383  3384
3384  3383  H     -4.083215  -25.296859    9.436107     2  3382
3385  3384  H     -3.356339  -24.242284    8.680553     2  3382
3386  3385  O     -5.528488  -17.020808   -7.088973     1  3386  3387
3387  3386  H     -4.755526  -16.663007   -6.656865     2  3385
3388  3387  H     -5.746383  -16.522271   -7.881394     2  3385
3389  3388  O     -2.756468   26.520199   -7.217387     1  3389  3390
3390  3389  H     -3.298178   27.220769   -6.777907     2  3388
3391  3390  H     -2.790354   26.749608   -8.178504     2  3388
3392  3391  O      2.065687  -14.817858   -3.892518     1  3392  3393
3393  3392  H      1.835853  -15.777524   -4.069025     2  3391
3394  3393  H      3.020364  -14.753232   -3.879791     2  3391
3395  3394  O      1.377326  -17.949268    3.755523     1  3395  3396
3396  3395  H      1.218561  -18.387685    2.887183     2  3394
3397  3396  H      0.563722  -17.449621    3.730789     2  3394
3398  3397  O     -1.889165  -20.152093   -0.752772     1  3398  3399
3399  3398  H     -1.033522  -19.757670   -0.942379     2  3397
3400  3399  H     -2.088196  -20.341355   -1.679095     2  3397
3401  3400  O      3.235730  -13.961812    4.458659     1  3401  3402
3402  3401  H      2.528161  -13.384778    4.080471     2  3400
3403  3402  H      3.650332  -13.441362    5.270012     2  3400
3404  3403  O     -4.287497   26.523619    3.275197     1  3404  3405
3405  3404  H     -4.239291   26.576652    2.325038     2  3403
3406  3405  H     -3.813694   27.249700    3.640091     2  3403
3407  3406  O      5.601685  -22.234407    3.035490     1  3407  3408
3408  3407  H      6.168799  -22.314728    2.219696     2  3406
3409  3408  H      5.460780  -21.269327    3.198121     2  3406
3410  3409  O      1.258567  -27.328287   -7.096263     1  3410  3411
3411  3410  H      2.086945  -27.469754   -6.648210     2  3409
3412  3411  H      0.891520  -26.444005   -6.943315     2  3409
3413  3412  O     -3.872365  -11.728621   -7.973216     1  3413  3414
3414  3413  H     -3.038218  -12.168493   -7.884491     2  3412
3415  3414  H     -4.146990  -11.868399   -8.923798     2  3412
3416  3415  O     -2.527254  -11.701262    4.035091     1  3416  3417
3417  3416  H     -2.993791  -12.446805    3.682896     2  3415
3418  3417  H     -3.046801  -10.990840    3.605849     2  3415
3419  3418  O      1.222812  -15.006695    1.513869     1  3419  3420
3420  3419  H      0.804392  -15.624850    2.118138     2  3418
3421  3420  H      0.859396  -14.158927    1.695682     2  3418
3422  3421  O     -5.548787  -15.580953   -9.395358     1  3422  3423
3423  3422  H     -4.656465  -15.306109   -9.625072     2  3421
3424  3423  H     -6.219306  -15.018261   -9.866369     2  3421
3425  3424  O     -7.596944  -16.310309    3.516754     1  3425  3426
3426  3425  H     -7.632974  -16.965976    2.897684     2  3424
3427  3426  H     -8.200767  -15.583363    3.253170     2  3424
3428  3427  O      5.367999  -21.244123   -1.795073     1  3428  3429
3429  3428  H      6.108271  -21.846331   -1.581171     2  3427
3430  3429  H      4.642297  -21.522983   -1.241623     2  3427
3431  3430  O      3.766760  -11.174728    2.917244     1  3431  3432
3432  3431  H      3.713278  -10.276601    2.593140     2  3430
3433  3432  H      3.022825  -11.433087    3.479304     2  3430
3434  3433  O      4.145120  -24.578240   -4.810113     1  3434  3435
3435  3434  H      5.053089  -24.269738   -4.840394     2  3433
3436  3435  H      3.575101  -23.830817   -5.124118     2  3433
3437  3436  O      4.738366  -15.831214   -1.158136     1  3437  3438
3438  3437  H      5.105357  -16.768750   -1.140813     2  3436
3439  3438  H      5.498497  -15.222526   -1.040826     2  3436
3440  3439  O     -5.099271  -22.020373    5.914474     1  3440  3441
3441  3440  H     -5.736879  -22.215614    6.670043     2  3439
3442  3441  H     -4.275758  -21.911781    6.351812     2  3439
3443  3442  O    -12.858826  -17.696697    6.159194     1  3443  3444
3444  3443  H    -13.717322  -17.834083    6.692308     2  3442
3445  3444  H    -12.099938  -17.727348    6.801896     2  3442
3446  3445  O      8.661881  -19.895419    2.412222     1  3446  3447
3447  3446  H      8.256820  -19.470426    3.147690     2  3445
3448  3447  H      8.622509  -19.226288    1.702023     2  3445
3449  3448  O     -3.587001  -13.748720   -2.813427     1  3449  3450
3450  3449  H     -2.898991  -14.331139   -2.523960     2  3448
3451  3450  H     -3.141209  -12.947546   -3.169477     2  3448
3452  3451  O     -2.215766  -22.846032    3.507848     1  3452  3453
3453  3452  H     -2.441374  -22.204207    4.134681     2  3451
3454  3453  H     -2.316757  -22.570465    2.583479     2  3451
3455  3454  O      8.111565  -15.175111    0.168718     1  3455  3456
3456  3455  H      8.840524  -14.907262   -0.382752     2  3454
3457  3456  H      7.350975  -14.565569   -0.114136     2  3454
3458  3457  O      5.589687  -25.726636   -0.725094     1  3458  3459
3459  3458  H      4.918910  -25.664929   -0.101479     2  3457
3460  3459  H      6.058732  -26.575524   -0.561053     2  3457
3461  3460  O     -0.872537  -14.659841   -5.472079     1  3461  3462
3462  3461  H     -0.748857  -13.936990   -6.119082     2  3460
3463  3462  H      0.048003  -14.862963   -5.202872     2  3460
3464  3463  O      0.862572  -19.059754   -1.514611     1  3464  3465
3465  3464  H      1.447395  -19.624677   -2.095927     2  3463
3466  3465  H      1.106239  -18.156880   -1.853741     2  3463
3467  3466  O      6.297922  -13.647206   -0.981231     1  3467  3468
3468  3467  H      6.253933  -13.391644   -1.918100     2  3466
3469  3468  H      5.570998  -13.176875   -0.551765     2  3466
3470  3469  O      0.586742  -20.599508   -5.781602     1  3470  3471
3471  3470  H     -0.030948  -20.017743   -6.260463     2  3469
3472  3471  H      0.715174  -20.239084   -4.898005     2  3469
3473  3472  O      9.732490  -14.666468   -2.102010     1  3473  3474
3474  3473  H     10.408288  -14.828599   -2.787987     2  3472
3475  3474  H      8.915368  -14.677670   -2.596070     2  3472
3476  3475  O     -5.579412  -19.231153    5.770402     1  3476  3477
3477  3476  H     -6.428898  -19.272032    6.158691     2  3475
3478  3477  H     -5.288908  -20.212455    5.831678     2  3475
3479  3478  O      7.179978  -17.700578   -3.831157     1  3479  3480
3480  3479  H      6.969730  -18.089339   -2.922813     2  3478
3481  3480  H      7.906030  -18.232352   -4.107877     2  3478
3482  3481  O     -6.528214  -14.207011    7.305314     1  3482  3483
3483  3482  H     -6.301640  -13.267602    7.242740     2  3481
3484  3483  H     -7.424123  -14.308711    7.440605     2  3481
3485  3484  O      4.724256  -18.106065   -5.482390     1  3485  3486
3486  3485  H      4.582801  -19.067169   -5.568565     2  3484
3487  3486  H      5.429855  -17.949783   -4.819969     2  3484
3488  3487  O      0.450763  -23.991150   -5.360263     1  3488  3489
3489  3488  H      1.023812  -23.544351   -4.668100     2  3487
3490  3489  H      0.053447  -24.672849   -4.769938     2  3487
3491  3490  O      9.329064   -7.056565    6.036635     1  3491  3492
3492  3491  H      9.833519   -7.418831    6.829372     2  3490
3493  3492  H      9.944882   -6.602204    5.428794     2  3490
3494  3493  O     -3.854327  -24.698394    5.253592     1  3494  3495
3495  3494  H     -4.151550  -25.267802    4.553723     2  3493
3496  3495  H     -3.697698  -23.891545    4.738867     2  3493
3497  3496  O      5.747710  -25.901744    3.053224     1  3497  3498
3498  3497  H      5.109652  -25.844569    2.350247     2  3496
3499  3498  H      6.480172  -25.318127    2.861114     2  3496
3500  3499  O      4.377308   26.588595   -8.433199     1  3500  3501
3501  3500  H      3.840408   27.289210   -8.848702     2  3499
3502  3501  H      4.466761   26.732019   -7.490355     2  3499
3503  3502  O     -5.573863  -10.970733    4.762776     1  3503  3504
3504  3503  H     -4.985064  -10.915364    4.014411     2  3502
3505  3504  H     -6.177554  -11.660471    4.460267     2  3502
3506  3505  O     -5.410771  -11.547798    7.451139     1  3506  3507
3507  3506  H     -4.428100  -11.421832    7.491278     2  3505
3508  3507  H     -5.682511  -11.411441    6.531218     2  3505
3509  3508  O      6.914476  -24.910716   -4.582719     1  3509  3510
3510  3509  H      7.092507  -24.500072   -3.697335     2  3508
3511  3510  H      7.732651  -24.618424   -5.040895     2  3508
3512  3511  O     -7.795363  -13.892471   -4.296992     1  3512  3513
3513  3512  H     -8.540319  -13.316745   -4.259178     2  3511
3514  3513  H     -7.206575  -13.572522   -4.965081     2  3511
3515  3514  O     -6.668344  -11.658174    9.973282     1  3515  3516
3516  3515  H     -7.057019  -12.538832    9.986399     2  3514
3517  3516  H     -5.979590  -11.571698    9.340818     2  3514
3518  3517  O     -0.109066   27.021947    3.850675     1  3518  3519
3519  3518  H      0.416530   27.785749    4.011626     2  3517
3520  3519  H     -0.792055   27.300016    3.122318     2  3517
3521  3520  O      7.133151  -22.250968   -6.200861     1  3521  3522
3522  3521  H      7.613630  -22.082697   -5.339884     2  3520
3523  3522  H      6.293528  -21.801397   -5.991172     2  3520
3524  3523  O     10.364404  -18.578634   -1.492380     1  3524  3525
3525  3524  H     11.278619  -18.329363   -1.674812     2  3523
3526  3525  H     10.066843  -18.837007   -2.375694     2  3523
3527  3526  O      3.508312  -22.376860   -0.072972     1  3527  3528
3528  3527  H      3.733224  -23.281174    0.256031     2  3526
3529  3528  H      2.572629  -22.301832    0.058008     2  3526
3530  3529  O      9.067036   -9.608715   -3.424845     1  3530  3531
3531  3530  H      9.537131   -9.598435   -4.278777     2  3529
3532  3531  H      9.362392  -10.413524   -2.951871     2  3529
3533  3532  O     -5.500118  -13.905002   -5.970706     1  3533  3534
3534  3533  H     -4.851262  -13.254072   -5.779697     2  3532
3535  3534  H     -5.153507  -14.723452   -5.626186     2  3532
3536  3535  O     -6.825955  -16.576745   -0.539706     1  3536  3537
3537  3536  H     -6.572542  -17.280628   -1.188084     2  3535
3538  3537  H     -7.212391  -17.128328    0.192973     2  3535
3539  3538  O     -2.557458  -21.181221   -3.256350     1  3539  3540
3540  3539  H     -3.383327  -20.730079   -3.448500     2  3538
3541  3540  H     -2.154770  -21.390476   -4.105291     2  3538
3542  3541  O     10.882208  -11.713868    9.339609     1  3542  3543
3543  3542  H     10.011010  -11.980227    8.938259     2  3541
3544  3543  H     11.380183  -12.526669    9.435462     2  3541
3545  3544  O     -1.839170  -22.421142   -5.678295     1  3545  3546
3546  3545  H     -0.940327  -22.642802   -5.766346     2  3544
3547  3546  H     -2.432862  -23.178027   -5.555013     2  3544
3548  3547  O     -1.898308  -14.684036    5.765627     1  3548  3549
3549  3548  H     -2.598596  -15.319417    5.872003     2  3547
3550  3549  H     -2.217284  -14.058753    5.052157     2  3547
3551  3550  O     -0.843848  -12.389719   -7.242048     1  3551  3552
3552  3551  H     -0.269737  -12.869663   -7.894878     2  3550
3553  3552  H     -0.469484  -11.495679   -7.194787     2  3550
3554  3553  O     -4.272252  -19.521691   -7.612183     1  3554  3555
3555  3554  H     -4.856059  -20.261222   -7.844113     2  3553
3556  3555  H     -4.773919  -18.686617   -7.740172     2  3553
3557  3556  O     -3.760622   27.625869   -0.323478     1  3557  3558
3558  3557  H     -4.447238   26.948816   -0.314133     2  3556
3559  3558  H     -4.154558   28.544595   -0.327145     2  3556
3560  3559  O      0.971914  -16.995853    6.275704     1  3560  3561
3561  3560  H      1.790022  -17.013849    5.740618     2  3559
3562  3561  H      0.935796  -16.051839    6.435871     2  3559
3563  3562  O      2.256197  -22.048632    7.539994     1  3563  3564
3564  3563  H      1.339824  -22.182293    7.897584     2  3562
3565  3564  H      2.694168  -22.860853    7.763689     2  3562
3566  3565  O     -1.114352  -10.288608   -3.037794     1  3566  3567
3567  3566  H     -0.533073  -11.028191   -3.331643     2  3565
3568  3567  H     -1.339775   -9.745567   -3.782562     2  3565
3569  3568  O      4.377862  -15.195092    2.051190     1  3569  3570
3570  3569  H      3.476687  -15.209509    1.765071     2  3568
3571  3570  H      4.297696  -15.029598    2.985119     2  3568
3572  3571  O      3.668128  -21.129857   -8.988108     1  3572  3573
3573  3572  H      3.674580  -21.781968   -9.705225     2  3571
3574  3573  H      2.885965  -20.628049   -9.199962     2  3571
3575  3574  O      6.028537  -18.392570   -1.206270     1  3575  3576
3576  3575  H      6.729834  -18.209192   -0.608090     2  3574
3577  3576  H      5.910591  -19.364762   -1.186488     2  3574
3578  3577  O     -2.574572  -21.996407    0.832171     1  3578  3579
3579  3578  H     -2.235146  -21.139394    0.505595     2  3577
3580  3579  H     -2.461413  -22.623504    0.108737     2  3577
3581  3580  O      7.408712  -14.985421   -3.611556     1  3581  3582
3582  3581  H      7.411984  -15.935742   -3.899090     2  3580
3583  3582  H      7.578904  -14.433975   -4.423758     2  3580
3584  3583  O      3.522085  -26.481341   -2.913334     1  3584  3585
3585  3584  H      3.450789  -26.143940   -3.790311     2  3583
3586  3585  H      4.063517  -25.816919   -2.421544     2  3583
3587  3586  O      1.371609  -26.307004    4.936465     1  3587  3588
3588  3587  H      0.503144  -25.926699    4.690718     2  3586
3589  3588  H      2.025233  -25.645020    4.671943     2  3586
3590  3589  O      5.215487  -10.373710   10.249512     1  3590  3591
3591  3590  H      6.093227  -10.779969   10.311244     2  3589
3592  3591  H      4.567370  -11.067716   10.491639     2  3589
3593  3592  O     -4.657811  -18.584617    3.103612     1  3593  3594
3594  3593  H     -4.768958  -18.762343    4.105669     2  3592
3595  3594  H     -3.692107  -18.745567    3.055052     2  3592
3596  3595  O     -4.462286  -25.539508    2.711944     1  3596  3597
3597  3596  H     -4.323529  -24.771128    2.125429     2  3595
3598  3597  H     -5.328177  -25.922294    2.379450     2  3595
3599  3598  O     -1.867686  -16.159243    9.478390     1  3599  3600
3600  3599  H     -1.174859  -15.789819   10.129549     2  3598
3601  3600  H     -2.390449  -15.461355    9.146889     2  3598
3602  3601  O      6.912957   27.596149   -0.782050     1  3602  3603
3603  3602  H      7.294055   26.966845   -0.118319     2  3601
3604  3603  H      6.825931   27.131052   -1.623367     2  3601
3605  3604  O     -1.120217  -11.827890   -0.610807     1  3605  3606
3606  3605  H     -1.018933  -12.013247   -1.530871     2  3604
3607  3606  H     -2.108356  -11.691312   -0.461268     2  3604
3608  3607  O     -7.222692  -18.411698    1.801302     1  3608  3609
3609  3608  H     -6.383414  -18.677583    2.211620     2  3607
3610  3609  H     -7.905530  -18.988414    2.185075     2  3607
3611  3610  O     -1.792236  -25.335542    7.294234     1  3611  3612
3612  3611  H     -2.297067  -25.368015    6.484810     2  3610
3613  3612  H     -1.019648  -25.985772    7.225875     2  3610
3614  3613  O      5.403543   -9.601626   -1.813641     1  3614  3615
3615  3614  H      5.640445   -8.978654   -2.546197     2  3613
3616  3615  H      4.411472   -9.690131   -1.891525     2  3613
3617  3616  O      2.135631  -22.621057   -3.336137     1  3617  3618
3618  3617  H      1.552205  -22.715479   -2.572388     2  3616
3619  3618  H      2.333948  -21.695984   -3.445371     2  3616
3620  3619  O     -6.185838  -18.304651   -2.708992     1  3620  3621
3621  3620  H     -6.749002  -18.041123   -3.446080     2  3619
3622  3621  H     -6.352875  -19.230097   -2.605675     2  3619
3623  3622  O      0.910843  -18.380459   11.125206     1  3623  3624
3624  3623  H      0.988043  -17.477660   11.266436     2  3622
3625  3624  H      0.754620  -18.507578   10.181094     2  3622
3626  3625  O     -2.533916  -23.582415   -1.946445     1  3626  3627
3627  3626  H     -3.440859  -23.683781   -1.603817     2  3625
3628  3627  H     -2.571289  -22.682535   -2.298737     2  3625
3629  3628  O     -6.929370  -13.022894    3.211975     1  3629  3630
3630  3629  H     -6.408794  -13.793425    3.391144     2  3628
3631  3630  H     -6.685519  -12.717027    2.291714     2  3628
3632  3631  O     -7.315977  -24.936116   -6.942054     1  3632  3633
3633  3632  H     -6.451176  -24.902460   -6.519994     2  3631
3634  3633  H     -7.841701  -24.367749   -6.402457     2  3631
3635  3634  O      5.714663  -11.884602   -3.200131     1  3635  3636
3636  3635  H      6.096196  -11.547837   -4.056552     2  3634
3637  3636  H      5.793911  -11.096797   -2.628587     2  3634
3638  3637  O      4.667509  -14.504402   -4.601624     1  3638  3639
3639  3638  H      4.943063  -13.613978   -4.312811     2  3637
3640  3639  H      5.328278  -15.059820   -4.122152     2  3637
3641  3640  O     -1.548721  -25.382020   -3.766424     1  3641  3642
3642  3641  H     -1.187480  -26.175262   -3.321627     2  3640
3643  3642  H     -1.883536  -24.815783   -3.104762     2  3640
3644  3643  O     -3.845900   24.992252    6.625286     1  3644  3645
3645  3644  H     -3.575852   24.721787    7.487441     2  3643
3646  3645  H     -3.211452   25.707289    6.471786     2  3643
3647  3646  O     -9.948132  -21.554442    5.855152     1  3647  3648
3648  3647  H    -10.534922  -21.927852    5.135899     2  3646
3649  3648  H     -9.461725  -22.382168    6.038816     2  3646
3650  3649  O      3.795204  -25.183954    1.212412     1  3650  3651
3651  3650  H      3.633964  -24.707971    2.085544     2  3649
3652  3651  H      3.153508  -25.950827    1.256160     2  3649
3653  3652  O     -3.480822  -15.963645   -5.675864     1  3653  3654
3654  3653  H     -3.621960  -16.170292   -4.759089     2  3652
3655  3654  H     -2.823077  -15.272459   -5.707102     2  3652
3656  3655  O      3.290511  -16.689839    4.829664     1  3656  3657
3657  3656  H      2.756888  -17.179790    4.226699     2  3655
3658  3657  H      3.137414  -15.799885    4.461916     2  3655
3659  3658  O      9.052007  -25.241499   -5.978869     1  3659  3660
3660  3659  H      8.898913  -24.871440   -6.884536     2  3658
3661  3660  H      9.139284  -26.204049   -6.129526     2  3658
3662  3661  O     -7.725310  -17.433451   -5.076872     1  3662  3663
3663  3662  H     -7.029800  -16.878345   -5.591360     2  3661
3664  3663  H     -7.786434  -18.283902   -5.622533     2  3661
3665  3664  O      9.917750  -25.138385   -1.046664     1  3665  3666
3666  3665  H      9.317166  -25.637160   -0.484765     2  3664
3667  3666  H     10.470508  -25.782263   -1.446682     2  3664
3668  3667  O     -1.861656   -9.482421   -5.648495     1  3668  3669
3669  3668  H     -1.055579   -9.561074   -6.198465     2  3667
3670  3669  H     -2.134599   -8.531498   -5.649274     2  3667
3671  3670  O     -0.292974  -18.349528    8.718684     1  3671  3672
3672  3671  H      0.385262  -17.964248    8.108313     2  3670
3673  3672  H     -0.779778  -17.506535    8.999039     2  3670
3674  3673  O    -22.017476    0.671055   16.656565     1  3674  3675
3675  3674  H    -22.521912    0.166202   15.968418     2  3673
3676  3675  H    -21.682191    0.004266   17.284070     2  3673
3677  3676  O      2.379208   27.835173    0.890142     1  3677  3678
3678  3677  H      1.589165   28.088297    0.413898     2  3676
3679  3678  H      2.139925   27.328455    1.658992     2  3676
3680  3679  O     -9.080328  -10.511197    9.107503     1  3680  3681
3681  3680  H     -8.216769  -10.805809    8.675845     2  3679
3682  3681  H     -9.310423  -11.244155    9.699287     2  3679
3683  3682  O     11.154958  -21.001096    3.259406     1  3683  3684
3684  3683  H     10.500547  -20.378645    2.975271     2  3682
3685  3684  H     10.942880  -21.838940    2.956909     2  3682
3686  3685  O      9.850292  -23.661746    4.303533     1  3686  3687
3687  3686  H     10.651652  -24.015813    4.747182     2  3685
3688  3687  H      9.292517  -23.269995    4.989360     2  3685
3689  3688  O      0.458191  -26.728271    7.503144     1  3689  3690
3690  3689  H      0.965262  -26.232032    8.161556     2  3688
3691  3690  H      1.010077  -26.672349    6.739305     2  3688
3692  3691  O      8.452066  -13.484974    4.847561     1  3692  3693
3693  3692  H      7.626811  -12.982620    4.726079     2  3691
3694  3693  H      8.110725  -14.405296    5.040115     2  3691
3695  3694  O     -9.422128  -14.719946    2.140051     1  3695  3696
3696  3695  H     -9.358662  -13.753661    2.320880     2  3694
3697  3696  H     -9.308442  -14.837233    1.179455     2  3694
3698  3697  O      8.516900  -13.529072   18.526536     1  3698  3699
3699  3698  H      9.336361  -13.663907   18.961653     2  3697
3700  3699  H      8.350614  -14.417731   18.117276     2  3697
3701  3700  O      8.530219  -22.747704    8.768519     1  3701  3702
3702  3701  H      8.580761  -21.793129    8.817439     2  3700
3703  3702  H      9.381433  -23.093524    8.829151     2  3700
3704  3703  O      7.173803  -13.927988   15.496681     1  3704  3705
3705  3704  H      7.968057  -13.706974   15.993204     2  3703
3706  3705  H      6.942984  -13.175378   14.958187     2  3703
3707  3706  O     -1.279175  -10.473936   10.310438     1  3707  3708
3708  3707  H     -1.899129   -9.881826   10.737323     2  3706
3709  3708  H     -0.499633  -10.004993    9.854155     2  3706
3710  3709  O     -4.310968  -18.783957   13.551529     1  3710  3711
3711  3710  H     -4.780581  -19.262106   14.230936     2  3709
3712  3711  H     -4.183519  -17.929359   13.958481     2  3709
3713  3712  O      0.390865  -15.504512   11.104697     1  3713  3714
3714  3713  H      1.208691  -15.144909   10.640160     2  3712
3715  3714  H      0.648075  -15.483714   12.073943     2  3712
3716  3715  O     26.556353   13.658096   -1.286456     1  3716  3717
3717  3716  H     27.180088   13.040680   -1.725913     2  3715
3718  3717  H     26.439871   14.359690   -1.930298     2  3715
3719  3718  O      1.967760  -14.043608   15.977221     1  3719  3720
3720  3719  H      2.944774  -14.043149   16.161295     2  3718
3721  3720  H      1.854861  -13.329481   15.333744     2  3718
3722  3721  O     -9.845205  -14.151414   15.429659     1  3722  3723
3723  3722  H     -9.204514  -14.041526   16.116102     2  3721
3724  3723  H    -10.565605  -13.524139   15.672351     2  3721
3725  3724  O      4.076021  -12.391075   13.920635     1  3725  3726
3726  3725  H      4.501844  -11.695465   13.391265     2  3724
3727  3726  H      3.158294  -12.186868   13.816515     2  3724
3728  3727  O     -1.162289  -20.827830    9.543801     1  3728  3729
3729  3728  H     -1.087349  -20.085268    8.958180     2  3727
3730  3729  H     -2.060506  -20.702839    9.900886     2  3727
3731  3730  O      2.318956  -10.356569   18.920880     1  3731  3732
3732  3731  H      3.025102  -10.884841   18.517730     2  3730
3733  3732  H      1.467761  -10.947760   18.870882     2  3730
3734  3733  O      3.111331  -10.434235   27.818236     1  3734  3735
3735  3734  H      3.828930  -10.243476   27.095885     2  3733
3736  3735  H      2.396747   -9.890026   27.557024     2  3733
3737  3736  O      6.008512   -9.469541   20.419959     1  3737  3738
3738  3737  H      6.084007  -10.416410   20.500567     2  3736
3739  3738  H      6.415216   -9.292416   19.582145     2  3736
3740  3739  O      4.919914  -14.597095    8.753942     1  3740  3741
3741  3740  H      5.655938  -14.380577    9.330041     2  3739
3742  3741  H      5.139470  -15.322208    8.191829     2  3739
3743  3742  O     -7.651050  -17.710526   14.136440     1  3743  3744
3744  3743  H     -7.559554  -16.778044   13.916273     2  3742
3745  3744  H     -6.841887  -18.163564   13.979015     2  3742
3746  3745  O      3.520130  -19.301299   11.783040     1  3746  3747
3747  3746  H      2.729709  -18.814159   11.495100     2  3745
3748  3747  H      4.090250  -18.654437   12.211455     2  3745
3749  3748  O      3.173717  -16.027072   11.227510     1  3749  3750
3750  3749  H      3.380940  -16.267442   10.320493     2  3748
3751  3750  H      3.691591  -15.263711   11.425519     2  3748
3752  3751  O     -1.831277  -15.530289   15.359040     1  3752  3753
3753  3752  H     -0.992309  -15.852361   15.019342     2  3751
3754  3753  H     -1.829368  -14.575690   15.213054     2  3751
3755  3754  O     24.654213    7.708202   -7.965336     1  3755  3756
3756  3755  H     25.571136    7.992502   -7.977211     2  3754
3757  3756  H     24.373301    7.961076   -8.838815     2  3754
3758  3757  O      7.058960  -22.387700    5.441711     1  3758  3759
3759  3758  H      6.790199  -23.318563    5.539902     2  3757
3760  3759  H      6.864820  -22.223173    4.486252     2  3757
3761  3760  O     -4.490262  -19.119014   17.614913     1  3761  3762
3762  3761  H     -4.215905  -18.208286   17.371278     2  3760
3763  3762  H     -4.914435  -19.431594   16.787527     2  3760
3764  3763  O     -1.657293  -22.053627   13.503180     1  3764  3765
3765  3764  H     -1.577580  -21.381214   12.760110     2  3763
3766  3765  H     -0.851125  -22.015916   14.044347     2  3763
3767  3766  O      6.509783  -21.774177   13.271237     1  3767  3768
3768  3767  H      5.515543  -21.933298   13.084254     2  3766
3769  3768  H      6.670845  -20.970528   12.740233     2  3766
3770  3769  O      7.776847  -11.354806   10.289872     1  3770  3771
3771  3770  H      8.086507  -12.013370    9.655374     2  3769
3772  3771  H      8.291050  -11.573043   11.091750     2  3769
3773  3772  O     -3.140680  -17.164013   20.143083     1  3773  3774
3774  3773  H     -4.121846  -17.137033   20.227460     2  3772
3775  3774  H     -2.880663  -16.582599   19.408751     2  3772
3776  3775  O      0.696722  -14.753060   22.115602     1  3776  3777
3777  3776  H     -0.066373  -15.003146   21.661881     2  3775
3778  3777  H      1.005931  -13.914355   21.710148     2  3775
3779  3778  O      4.236532  -17.901807   15.758022     1  3779  3780
3780  3779  H      3.308004  -18.280691   15.849486     2  3778
3781  3780  H      4.487199  -17.850490   14.825908     2  3778
3782  3781  O     -4.080195  -20.765441   11.528152     1  3782  3783
3783  3782  H     -5.014573  -20.755940   11.378417     2  3781
3784  3783  H     -3.914154  -19.933140   12.120979     2  3781
3785  3784  O      5.253571  -16.886281   18.171943     1  3785  3786
3786  3785  H      4.858016  -17.202896   17.357810     2  3784
3787  3786  H      6.148055  -16.863056   17.936429     2  3784
3788  3787  O      5.196400  -17.194568    6.991733     1  3788  3789
3789  3788  H      5.567300  -18.083567    7.104262     2  3787
3790  3789  H      4.621670  -17.281140    6.197531     2  3787
3791  3790  O     -6.974848   -7.732662   25.803229     1  3791  3792
3792  3791  H     -6.579565   -8.310943   25.114684     2  3790
3793  3792  H     -6.746923   -8.146168   26.615110     2  3790
3794  3793  O     23.958842   11.364921   -4.496913     1  3794  3795
3795  3794  H     24.028234   11.570325   -3.550939     2  3793
3796  3795  H     23.108967   11.805960   -4.674701     2  3793
3797  3796  O     24.311095    5.235093   -6.447119     1  3797  3798
3798  3797  H     24.527647    6.040202   -6.969710     2  3796
3799  3798  H     24.669518    4.465491   -6.973006     2  3796
3800  3799  O     -1.485900   26.611369    6.809867     1  3800  3801
3801  3800  H     -0.595919   26.266701    6.911852     2  3799
3802  3801  H     -1.687852   27.227856    7.501111     2  3799
3803  3802  O      6.653591   -8.210259   22.692826     1  3803  3804
3804  3803  H      7.345081   -8.615031   23.323596     2  3802
3805  3804  H      6.689985   -8.734375   21.876584     2  3802
3806  3805  O    -10.244266   -8.826913   12.167985     1  3806  3807
3807  3806  H    -10.665190   -9.419170   12.735463     2  3805
3808  3807  H    -10.075845   -9.275578   11.352523     2  3805
3809  3808  O     -2.144397  -15.123933   21.866911     1  3809  3810
3810  3809  H     -2.802853  -15.555797   22.456279     2  3808
3811  3810  H     -2.292891  -15.552540   21.017453     2  3808
3812  3811  O      5.667917  -23.009028    9.082669     1  3812  3813
3813  3812  H      5.349321  -22.261377    9.543994     2  3811
3814  3813  H      6.625474  -22.902166    9.058984     2  3811
3815  3814  O     10.366423   -9.523758   10.842692     1  3815  3816
3816  3815  H     10.472191  -10.326135   10.319811     2  3814
3817  3816  H     11.061690   -9.564001   11.503125     2  3814
3818  3817  O      1.718037   -9.650477   12.221453     1  3818  3819
3819  3818  H      0.869081   -9.456062   12.619431     2  3817
3820  3819  H      2.318462   -9.303057   12.893125     2  3817
3821  3820  O     -3.777304  -12.614664   22.115854     1  3821  3822
3822  3821  H     -3.542909  -13.553798   21.878463     2  3820
3823  3822  H     -4.618342  -12.365837   21.739378     2  3820
3824  3823  O     25.090068    0.036391  -13.103751     1  3824  3825
3825  3824  H     25.988925   -0.335328  -13.164606     2  3823
3826  3825  H     24.877263    0.256540  -12.206123     2  3823
3827  3826  O      6.322983  -20.107799    7.201541     1  3827  3828
3828  3827  H      5.651423  -20.266967    7.844452     2  3826
3829  3828  H      6.121597  -20.775135    6.529777     2  3826
3830  3829  O     -4.229990  -16.660498   16.352285     1  3830  3831
3831  3830  H     -5.110895  -16.299118   16.574656     2  3829
3832  3831  H     -3.664808  -15.964248   16.033715     2  3829
3833  3832  O     21.602756   15.729959   -3.776204     1  3833  3834
3834  3833  H     21.091381   16.165551   -4.427066     2  3832
3835  3834  H     22.323054   16.333140   -3.629723     2  3832
3836  3835  O      4.617425  -14.389652   16.963413     1  3836  3837
3837  3836  H      4.684395  -15.192928   17.511507     2  3835
3838  3837  H      5.417937  -14.305561   16.495883     2  3835
3839  3838  O      2.322915  -14.121368    9.310339     1  3839  3840
3840  3839  H      3.198582  -14.408242    8.982738     2  3838
3841  3840  H      2.319392  -13.228568    9.565209     2  3838
3842  3841  O    -11.410996  -18.233554    8.881913     1  3842  3843
3843  3842  H    -10.878579  -17.457974    8.939123     2  3841
3844  3843  H    -12.087785  -18.154779    9.562649     2  3841
3845  3844  O     10.408845  -18.497803    6.448998     1  3845  3846
3846  3845  H      9.910637  -19.293580    6.354435     2  3844
3847  3846  H     10.778575  -18.527078    7.345125     2  3844
3848  3847  O      4.116898  -24.193242    7.160553     1  3848  3849
3849  3848  H      4.668541  -23.852377    7.857007     2  3847
3850  3849  H      4.686328  -24.370423    6.391120     2  3847
3851  3850  O    -21.674030    0.562150  -16.852616     1  3851  3852
3852  3851  H    -22.330186    1.195113  -16.519843     2  3850
3853  3852  H    -22.040798   -0.295922  -16.936486     2  3850
3854  3853  O     -5.087102  -11.323591   18.660211     1  3854  3855
3855  3854  H     -4.359090  -10.763359   18.681637     2  3853
3856  3855  H     -5.058353  -11.705446   17.802992     2  3853
3857  3856  O     -1.588127  -19.420848   11.972454     1  3857  3858
3858  3857  H     -1.887709  -19.056571   12.830769     2  3856
3859  3858  H     -0.786602  -18.923590   11.717001     2  3856
3860  3859  O      9.152142  -15.372231    7.256289     1  3860  3861
3861  3860  H      9.897365  -15.375903    6.590479     2  3859
3862  3861  H      8.453198  -15.812814    6.779683     2  3859
3863  3862  O     -0.375769  -18.597558   20.681853     1  3863  3864
3864  3863  H     -1.002803  -17.962239   20.374336     2  3862
3865  3864  H     -0.026121  -18.546403   21.552798     2  3862
3866  3865  O      1.174688  -18.661267   15.530794     1  3866  3867
3867  3866  H      1.518831  -19.484164   15.040149     2  3865
3868  3867  H      1.030234  -18.953119   16.445111     2  3865
3869  3868  O      1.546365  -11.808945   14.259608     1  3869  3870
3870  3869  H      1.512187  -10.973470   14.695440     2  3868
3871  3870  H      0.726612  -11.822798   13.777863     2  3868
3872  3871  O     -1.801721  -27.426007    9.371952     1  3872  3873
3873  3872  H     -1.122236  -27.438566    8.686347     2  3871
3874  3873  H     -1.480791  -26.869424   10.130953     2  3871
3875  3874  O     -2.634234  -11.811877    8.206993     1  3875  3876
3876  3875  H     -1.923139  -11.808195    7.527860     2  3874
3877  3876  H     -2.207073  -11.366431    8.968995     2  3874
3878  3877  O     -1.729771  -10.984432   21.319115     1  3878  3879
3879  3878  H     -1.236942  -11.481704   20.641393     2  3877
3880  3879  H     -2.479695  -11.570043   21.572400     2  3877
3881  3880  O     -3.120198  -13.967404   18.548239     1  3881  3882
3882  3881  H     -2.325397  -14.301079   18.942471     2  3880
3883  3882  H     -2.902658  -13.074602   18.312848     2  3880
3884  3883  O     -4.903351  -14.954621   11.413391     1  3884  3885
3885  3884  H     -4.343189  -14.543598   10.728434     2  3883
3886  3885  H     -4.590049  -14.492287   12.231609     2  3883
3887  3886  O      4.063645   -6.851386   17.005215     1  3887  3888
3888  3887  H      4.127961   -6.272800   16.151460     2  3886
3889  3888  H      4.543385   -7.604665   16.700362     2  3886
3890  3889  O    -17.802456    2.759174  -15.457493     1  3890  3891
3891  3890  H    -18.537461    3.371665  -15.425395     2  3889
3892  3891  H    -18.178830    1.884910  -15.369691     2  3889
3893  3892  O      7.875306  -16.115017   17.448477     1  3893  3894
3894  3893  H      7.751870  -15.787946   16.573826     2  3892
3895  3894  H      8.430175  -16.894399   17.335055     2  3892
3896  3895  O     -2.000734  -12.864703   14.801994     1  3896  3897
3897  3896  H     -1.442178  -12.647380   14.019847     2  3895
3898  3897  H     -2.904534  -13.039260   14.396794     2  3895
3899  3898  O      1.135497  -16.742652   19.101675     1  3899  3900
3900  3899  H      0.599804  -17.253708   19.738503     2  3898
3901  3900  H      0.581992  -16.792254   18.304772     2  3898
3902  3901  O      7.575000  -19.319096   12.020161     1  3902  3903
3903  3902  H      8.306923  -19.500159   12.613120     2  3901
3904  3903  H      7.709361  -18.347573   11.713677     2  3901
3905  3904  O      3.772779  -21.996559   12.571814     1  3905  3906
3906  3905  H      3.399272  -21.235164   12.099502     2  3904
3907  3906  H      3.370648  -22.700887   12.098684     2  3904
3908  3907  O    -20.066189    8.347740   -9.233480     1  3908  3909
3909  3908  H    -20.234307    8.437145  -10.189324     2  3907
3910  3909  H    -20.881704    8.085955   -8.783410     2  3907
3911  3910  O      2.249809  -23.997992   11.384653     1  3911  3912
3912  3911  H      1.526120  -23.432830   10.992661     2  3910
3913  3912  H      1.844114  -24.286668   12.220833     2  3910
3914  3913  O    -18.601181    5.988380  -11.572289     1  3914  3915
3915  3914  H    -18.628001    6.777333  -12.099202     2  3913
3916  3915  H    -18.225817    5.223332  -12.016153     2  3913
3917  3916  O     -3.384991  -12.884938   24.972318     1  3917  3918
3918  3917  H     -2.755404  -12.173348   25.154383     2  3916
3919  3918  H     -3.554041  -12.779332   24.004618     2  3916
3920  3919  O      7.317681  -16.060311    5.368634     1  3920  3921
3921  3920  H      7.626876  -16.979394    5.045489     2  3919
3922  3921  H      6.345192  -16.149140    5.331669     2  3919
3923  3922  O     -4.522973  -23.415797   12.083219     1  3923  3924
3924  3923  H     -4.176724  -22.499526   12.246545     2  3922
3925  3924  H     -4.511328  -23.444820   11.129846     2  3922
3926  3925  O      2.929105   27.465431    8.492119     1  3926  3927
3927  3926  H      3.696285   27.272774    7.922475     2  3925
3928  3927  H      3.076455   28.337299    8.785567     2  3925
3929  3928  O      1.159826  -10.204339   22.646450     1  3929  3930
3930  3929  H      1.894967  -10.758023   22.936208     2  3928
3931  3930  H      0.446834  -10.739366   22.304666     2  3928
3932  3931  O     -0.938654  -11.486064   25.932316     1  3932  3933
3933  3932  H     -1.132090  -11.128078   26.840354     2  3931
3934  3933  H     -0.029147  -11.720279   25.909370     2  3931
3935  3934  O     -8.322705  -15.155937   13.246864     1  3935  3936
3936  3935  H     -7.776182  -14.417767   12.951036     2  3934
3937  3936  H     -8.818240  -14.824741   14.012637     2  3934
3938  3937  O    -22.992343    7.501447  -10.808447     1  3938  3939
3939  3938  H    -22.601352    6.610612  -10.461660     2  3937
3940  3939  H    -22.273564    7.924323  -11.256628     2  3937
3941  3940  O      1.163671  -25.339588   13.724242     1  3941  3942
3942  3941  H      0.445857  -25.092276   14.276505     2  3940
3943  3942  H      1.937857  -25.506910   14.268044     2  3940
3944  3943  O      7.224813  -11.345380   14.660653     1  3944  3945
3945  3944  H      7.970620  -11.188643   15.317752     2  3943
3946  3945  H      6.744836  -10.487645   14.675076     2  3943
3947  3946  O     -0.530694  -12.525727   12.559463     1  3947  3948
3948  3947  H     -0.396863  -13.326835   12.032140     2  3946
3949  3948  H     -0.668046  -11.787351   11.931446     2  3946
3950  3949  O     20.932699    8.721362   -9.223923     1  3950  3951
3951  3950  H     20.851639    8.504731   -8.286945     2  3949
3952  3951  H     21.917664    8.722665   -9.419589     2  3949
3953  3952  O     -0.808539  -24.579159   15.629400     1  3953  3954
3954  3953  H     -1.367062  -24.228672   14.873264     2  3952
3955  3954  H     -0.193805  -23.897580   15.774348     2  3952
3956  3955  O     -0.638804  -26.269404   11.656104     1  3956  3957
3957  3956  H     -1.257308  -25.661777   12.163063     2  3955
3958  3957  H      0.218499  -25.975229   12.000432     2  3955
3959  3958  O     -0.127842  -15.947139   24.929246     1  3959  3960
3960  3959  H      0.701011  -16.432783   25.096233     2  3958
3961  3960  H     -0.012710  -15.462485   24.109471     2  3958
3962  3961  O      0.611985  -16.203369   14.233182     1  3962  3963
3963  3962  H      1.306387  -15.665149   14.685717     2  3961
3964  3963  H      0.805010  -17.079128   14.561225     2  3961
3965  3964  O     -6.238690  -17.436228   11.749337     1  3965  3966
3966  3965  H     -5.607353  -18.135654   11.975674     2  3964
3967  3966  H     -5.791788  -16.607377   11.761350     2  3964
3968  3967  O      2.676279  -11.479589   10.265301     1  3968  3969
3969  3968  H      2.210801  -11.204906   11.056641     2  3967
3970  3969  H      2.275581  -10.881372    9.594671     2  3967
3971  3970  O     -1.529528  -16.794980   17.691452     1  3971  3972
3972  3971  H     -1.948283  -17.608188   17.396586     2  3970
3973  3972  H     -1.866366  -16.144937   17.036100     2  3970
3974  3973  O      8.423512  -19.993380    9.162316     1  3974  3975
3975  3974  H      8.155924  -19.942325   10.046081     2  3973
3976  3975  H      7.716534  -20.022561    8.566342     2  3973
3977  3976  O      5.373915  -17.749326   13.159723     1  3977  3978
3978  3977  H      5.398332  -16.778486   13.000502     2  3976
3979  3978  H      6.171698  -18.167307   12.801531     2  3976
3980  3979  O     11.117729  -18.568561    9.213617     1  3980  3981
3981  3980  H     10.935236  -17.633262    9.364317     2  3979
3982  3981  H     10.295537  -19.073816    9.237930     2  3979
3983  3982  O      3.621941  -11.617319   23.971545     1  3983  3984
3984  3983  H      4.073263  -10.749773   23.893151     2  3982
3985  3984  H      3.814951  -12.129163   23.182732     2  3982
3986  3985  O     -0.252448  -11.690165   19.272264     1  3986  3987
3987  3986  H     -0.633562  -11.446439   18.434202     2  3985
3988  3987  H      0.246709  -12.514991   19.162940     2  3985
3989  3988  O      5.535467  -14.787456   13.254158     1  3989  3990
3990  3989  H      6.047985  -14.948882   14.080403     2  3988
3991  3990  H      4.906973  -14.071832   13.436014     2  3988
3992  3991  O      0.417652  -22.052428   15.595782     1  3992  3993
3993  3992  H      1.288873  -21.716673   15.405034     2  3991
3994  3993  H      0.170837  -21.452706   16.284754     2  3991
3995  3994  O     16.525142    9.310991  -10.647490     1  3995  3996
3996  3995  H     16.434506   10.021282  -11.301316     2  3994
3997  3996  H     17.517899    9.099612  -10.720005     2  3994
3998  3997  O     -6.428985  -12.140606   20.816829     1  3998  3999
3999  3998  H     -7.216727  -11.636597   21.127609     2  3997
4000  3999  H     -6.054813  -11.745889   20.052545     2  3997
4001  4000  O     -6.748648  -21.605235   10.955627     1  4001  4002
4002  4001  H     -7.596388  -21.098802   10.591015     2  4000
4003  4002  H     -7.020881  -22.415028   11.415397     2  4000
4004  4003  O      7.043599  -14.271301   10.927410     1  4004  4005
4005  4004  H      7.646173  -13.516368   11.074439     2  4003
4006  4005  H      6.599518  -14.385747   11.819416     2  4003
4007  4006  O      7.863949  -16.741251   14.596649     1  4007  4008
4008  4007  H      8.599874  -16.324216   14.103542     2  4006
4009  4008  H      7.126182  -16.884298   14.091535     2  4006
4010  4009  O     -4.740845  -13.370607   16.587460     1  4010  4011
4011  4010  H     -4.279245  -13.947961   17.242850     2  4009
4012  4011  H     -5.689481  -13.539075   16.748143     2  4009
4013  4012  O      1.800644  -17.482477   22.665360     1  4013  4014
4014  4013  H      2.430814  -17.791745   22.040529     2  4012
4015  4014  H      1.632396  -16.524229   22.465625     2  4012
4016  4015  O     -9.070771  -17.746364   11.783909     1  4016  4017
4017  4016  H     -8.108840  -17.576164   11.932961     2  4015
4018  4017  H     -9.344754  -18.185302   12.623546     2  4015
4019  4018  O     -4.483718  -13.512739   13.697133     1  4019  4020
4020  4019  H     -4.811597  -13.639594   14.552224     2  4018
4021  4020  H     -4.882410  -12.732278   13.311628     2  4018
4022  4021  O      6.214572  -25.001203    5.694084     1  4022  4023
4023  4022  H      5.905926  -25.546965    4.960798     2  4021
4024  4023  H      6.336704  -25.616413    6.451480     2  4021
4025  4024  O      7.017740    7.012596  -21.487198     1  4025  4026
4026  4025  H      6.181841    6.808096  -21.951986     2  4024
4027  4026  H      7.727990    7.085802  -22.163552     2  4024
4028  4027  O      1.718570  -10.287906   -9.636367     1  4028  4029
4029  4028  H      2.645337  -10.041638   -9.930447     2  4027
4030  4029  H      1.151073   -9.978730  -10.374785     2  4027
4031  4030  O     -6.862901    0.062762   -8.966149     1  4031  4032
4032  4031  H     -6.958830   -0.565884   -9.680026     2  4030
4033  4032  H     -6.244384    0.720900   -9.328742     2  4030
4034  4033  O      3.569807   -0.939282  -23.671847     1  4034  4035
4035  4034  H      4.253449   -1.284447  -22.989562     2  4033
4036  4035  H      3.962178   -0.479362  -24.400767     2  4033
4037  4036  O      1.536574    5.929784  -13.016923     1  4037  4038
4038  4037  H      1.679509    6.855774  -13.101808     2  4036
4039  4038  H      1.976817    5.525971  -13.777999     2  4036
4040  4039  O     -5.124412   -9.746445  -22.009228     1  4040  4041
4041  4040  H     -4.363004  -10.185853  -21.513666     2  4039
4042  4041  H     -4.882086   -9.926608  -22.952357     2  4039
4043  4042  O     -9.655979   -6.711682  -15.011620     1  4043  4044
4044  4043  H    -10.120053   -5.947647  -14.623343     2  4042
4045  4044  H    -10.213251   -7.496804  -14.948609     2  4042
4046  4045  O      3.117734    7.133548  -27.795871     1  4046  4047
4047  4046  H      2.333943    7.532766  -27.402876     2  4045
4048  4047  H      3.352262    7.766508  -28.473939     2  4045
4049  4048  O     -6.420321   -2.986141  -20.174017     1  4049  4050
4050  4049  H     -7.320483   -2.925572  -19.794899     2  4048
4051  4050  H     -5.814514   -2.719018  -19.463028     2  4048
4052  4051  O     -4.906626   -5.901730  -16.876439     1  4052  4053
4053  4052  H     -5.724917   -6.433403  -16.719240     2  4051
4054  4053  H     -5.085000   -5.001082  -16.593830     2  4051
4055  4054  O      2.673733    4.799198  -16.071513     1  4055  4056
4056  4055  H      2.597212    5.702128  -16.371856     2  4054
4057  4056  H      3.624665    4.631801  -15.882418     2  4054
4058  4057  O     -1.628187    6.141050  -23.394097     1  4058  4059
4059  4058  H     -2.446175    5.975594  -22.919350     2  4057
4060  4059  H     -0.950568    5.653960  -22.871009     2  4057
4061  4060  O     -2.585747    6.669881  -12.565427     1  4061  4062
4062  4061  H     -2.760206    6.138510  -11.735957     2  4060
4063  4062  H     -2.107790    7.442974  -12.267072     2  4060
4064  4063  O      0.649006    5.494184   -8.923123     1  4064  4065
4065  4064  H      0.947896    5.181798   -8.072364     2  4063
4066  4065  H      1.344621    5.096535   -9.554106     2  4063
4067  4066  O      1.839574    3.610225  -23.909553     1  4067  4068
4068  4067  H      1.174129    3.049714  -24.304960     2  4066
4069  4068  H      2.689402    3.227373  -24.082872     2  4066
4070  4069  O      2.636969    4.720176  -10.848512     1  4070  4071
4071  4070  H      2.209869    5.256062  -11.503071     2  4069
4072  4071  H      2.629712    3.829102  -11.348059     2  4069
4073  4072  O     -6.665566    7.452178  -27.232353     1  4073  4074
4074  4073  H     -6.346467    6.768115  -26.652463     2  4072
4075  4074  H     -7.010502    8.212936  -26.647227     2  4072
4076  4075  O     -5.496639    2.250392  -10.100294     1  4076  4077
4077  4076  H     -5.939741    2.419544  -10.939437     2  4075
4078  4077  H     -4.705882    2.827169  -10.024572     2  4075
4079  4078  O      2.570156   -1.314344  -15.429452     1  4079  4080
4080  4079  H      2.160462   -0.605844  -15.942176     2  4078
4081  4080  H      1.937841   -2.000122  -15.632380     2  4078
4082  4081  O     -0.416166   -3.976762   -8.446759     1  4082  4083
4083  4082  H     -0.734475   -3.908152   -7.570422     2  4081
4084  4083  H     -1.061959   -3.417403   -8.980434     2  4081
4085  4084  O      0.854960    5.766096  -19.136848     1  4085  4086
4086  4085  H      0.782390    5.458800  -20.082777     2  4084
4087  4086  H     -0.033039    6.043527  -18.805025     2  4084
4088  4087  O    -10.597982   -4.607185  -17.288379     1  4088  4089
4089  4088  H    -10.179415   -5.038723  -16.534907     2  4087
4090  4089  H    -11.336582   -4.182462  -16.932212     2  4087
4091  4090  O    -10.542474  -10.030456  -15.232715     1  4091  4092
4092  4091  H     -9.778871  -10.607233  -15.445660     2  4090
4093  4092  H    -11.269694  -10.641964  -15.409040     2  4090
4094  4093  O     -5.462798   -3.167534  -22.761131     1  4094  4095
4095  4094  H     -4.812151   -3.841875  -22.635062     2  4093
4096  4095  H     -5.858220   -2.931322  -21.872435     2  4093
4097  4096  O      6.966712   -6.963415  -27.280847     1  4097  4098
4098  4097  H      6.517097   -7.607243  -27.865990     2  4096
4099  4098  H      7.228826   -6.266655  -27.915541     2  4096
4100  4099  O     -2.118727   -6.714739  -16.855111     1  4100  4101
4101  4100  H     -1.316395   -7.228323  -17.007465     2  4099
4102  4101  H     -2.333216   -6.903746  -15.926432     2  4099
4103  4102  O      2.797211   -4.697464  -12.687115     1  4103  4104
4104  4103  H      2.705552   -5.436858  -13.263904     2  4102
4105  4104  H      2.841897   -5.112473  -11.776191     2  4102
4106  4105  O      5.395169   -2.848829  -18.059331     1  4106  4107
4107  4106  H      5.522937   -2.661217  -17.127766     2  4105
4108  4107  H      4.667339   -3.423278  -18.036875     2  4105
4109  4108  O     -0.328354    9.268151  -14.653147     1  4109  4110
4110  4109  H     -0.091069   10.024055  -15.239306     2  4108
4111  4110  H      0.488006    8.846767  -14.449916     2  4108
4112  4111  O      5.049440    5.084121   -9.531779     1  4112  4113
4113  4112  H      4.264191    4.973531  -10.161288     2  4111
4114  4113  H      5.786333    4.514122   -9.888831     2  4111
4115  4114  O      9.241839    9.643519  -22.469364     1  4115  4116
4116  4115  H      9.927518    9.171052  -22.023256     2  4114
4117  4116  H      9.659777    9.810490  -23.330444     2  4114
4118  4117  O     -6.890841    2.475774  -12.619308     1  4118  4119
4119  4118  H     -7.234076    3.139923  -13.280377     2  4117
4120  4119  H     -7.745909    1.980650  -12.474712     2  4117
4121  4120  O     -0.995182    4.015376  -25.959799     1  4121  4122
4122  4121  H     -1.648252    4.410710  -25.433342     2  4120
4123  4122  H     -1.040377    3.110495  -25.832203     2  4120
4124  4123  O      8.406098   -9.515541  -15.671926     1  4124  4125
4125  4124  H      8.221045   -8.858970  -14.927024     2  4123
4126  4125  H      9.320813   -9.838623  -15.694603     2  4123
4127  4126  O     -7.544513    0.425529  -22.699204     1  4127  4128
4128  4127  H     -7.777508    0.020823  -23.525603     2  4126
4129  4128  H     -8.242131    1.136719  -22.627050     2  4126
4130  4129  O      4.831680   -7.101532   -8.255301     1  4130  4131
4131  4130  H      5.580701   -6.596952   -7.988165     2  4129
4132  4131  H      4.569104   -7.464435   -7.425634     2  4129
4133  4132  O      5.161074   -3.385476  -13.026984     1  4133  4134
4134  4133  H      5.362988   -2.951919  -12.174748     2  4132
4135  4134  H      4.289052   -3.727234  -12.944977     2  4132
4136  4135  O      6.664512   -6.070893  -20.027196     1  4136  4137
4137  4136  H      7.502049   -6.485504  -19.861752     2  4135
4138  4137  H      6.220486   -6.449824  -20.842032     2  4135
4139  4138  O     -5.486553   -3.638664  -15.379745     1  4139  4140
4140  4139  H     -4.912967   -3.118012  -14.801321     2  4138
4141  4140  H     -5.871645   -4.236048  -14.647365     2  4138
4142  4141  O    -12.977847   -2.902127  -21.826895     1  4142  4143
4143  4142  H    -13.592584   -2.212811  -21.669145     2  4141
4144  4143  H    -12.972006   -3.079167  -22.734796     2  4141
4145  4144  O      5.120248    4.338793  -14.865124     1  4145  4146
4146  4145  H      5.801193    3.795876  -15.252823     2  4144
4147  4146  H      4.971289    3.946512  -13.983880     2  4144
4148  4147  O     -7.661752   -7.186017  -16.983975     1  4148  4149
4149  4148  H     -8.302126   -7.194314  -16.242812     2  4147
4150  4149  H     -7.228422   -8.026114  -17.140404     2  4147
4151  4150  O     -7.436572    0.035957  -19.816363     1  4151  4152
4152  4151  H     -6.514367   -0.253397  -19.777226     2  4150
4153  4152  H     -7.601806   -0.122659  -20.783360     2  4150
4154  4153  O     -3.064139    2.989569  -21.547142     1  4154  4155
4155  4154  H     -2.422676    2.405978  -21.079077     2  4153
4156  4155  H     -3.460040    3.489110  -20.836578     2  4153
4157  4156  O     -6.228252    5.154063  -25.371807     1  4157  4158
4158  4157  H     -6.560742    4.240549  -25.380102     2  4156
4159  4158  H     -5.587392    5.098965  -26.079234     2  4156
4160  4159  O     -8.465888   -6.564697  -19.960754     1  4160  4161
4161  4160  H     -8.530272   -6.415682  -19.024972     2  4159
4162  4161  H     -7.550533   -6.818056  -20.149577     2  4159
4163  4162  O     -6.176428    3.851475  -17.955983     1  4163  4164
4164  4163  H     -6.646615    3.282292  -18.584174     2  4162
4165  4164  H     -6.778996    4.537909  -17.690501     2  4162
4166  4165  O      6.184735   -2.486248  -24.594902     1  4166  4167
4167  4166  H      6.679479   -2.986540  -23.917858     2  4165
4168  4167  H      5.392333   -2.951537  -24.848484     2  4165
4169  4168  O      6.152656    0.218143  -16.802514     1  4169  4170
4170  4169  H      6.799311   -0.062033  -17.464125     2  4168
4171  4170  H      5.788767   -0.624109  -16.417367     2  4168
4172  4171  O      3.288157   -0.940089  -12.367030     1  4172  4173
4173  4172  H      2.733812   -0.219691  -11.980019     2  4171
4174  4173  H      2.998524   -1.072396  -13.268358     2  4171
4175  4174  O     -6.737373   -1.898674  -11.090054     1  4175  4176
4176  4175  H     -7.565603   -1.690626  -11.480268     2  4174
4177  4176  H     -6.034521   -1.332317  -11.600439     2  4174
4178  4177  O     -2.763230   -6.148533  -11.501055     1  4178  4179
4179  4178  H     -3.265001   -6.401175  -10.719193     2  4177
4180  4179  H     -2.975200   -5.222637  -11.598905     2  4177
4181  4180  O     -2.310455   -3.186997  -20.406764     1  4181  4182
4182  4181  H     -2.446838   -2.199353  -20.288115     2  4180
4183  4182  H     -2.354161   -3.615841  -19.583090     2  4180
4184  4183  O      2.803179   -7.403366  -17.197353     1  4184  4185
4185  4184  H      2.133415   -7.448018  -17.841413     2  4183
4186  4185  H      3.533845   -7.962258  -17.563081     2  4183
4187  4186  O      2.825949   -7.196436  -14.426828     1  4187  4188
4188  4187  H      3.441108   -7.899704  -14.263926     2  4186
4189  4188  H      2.597612   -7.284360  -15.362747     2  4186
4190  4189  O      1.595186    0.283604  -10.130788     1  4190  4191
4191  4190  H      1.987098    0.916427   -9.528535     2  4189
4192  4191  H      1.796803   -0.604955   -9.794072     2  4189
4193  4192  O     -1.157425   -1.761436  -13.537146     1  4193  4194
4194  4193  H     -0.819430   -0.896942  -13.375503     2  4192
4195  4194  H     -0.614212   -2.339599  -12.919825     2  4192
4196  4195  O     -2.847830   -0.739868  -23.394561     1  4196  4197
4197  4196  H     -3.104829   -1.700679  -23.485740     2  4195
4198  4197  H     -3.583636   -0.306939  -22.991065     2  4195
4199  4198  O      1.587280   -2.023321  -25.438691     1  4199  4200
4200  4199  H      2.410567   -1.832062  -24.896328     2  4198
4201  4200  H      0.824598   -1.757411  -24.835847     2  4198
4202  4201  O     -0.698186   -2.262168  -16.323384     1  4202  4203
4203  4202  H     -0.691507   -2.290981  -15.331773     2  4201
4204  4203  H     -1.017324   -1.333929  -16.504414     2  4201
4205  4204  O      5.168214    5.333172  -27.503004     1  4205  4206
4206  4205  H      4.434151    5.893965  -27.560989     2  4204
4207  4206  H      4.992845    4.720286  -28.250017     2  4204
4208  4207  O    -10.457439    4.607177  -18.981178     1  4208  4209
4209  4208  H    -10.775501    3.719649  -19.016136     2  4207
4210  4209  H    -10.754375    4.997006  -19.805951     2  4207
4211  4210  O     -2.187137   -3.864577  -17.699086     1  4211  4212
4212  4211  H     -1.522629   -3.323826  -17.266181     2  4210
4213  4212  H     -1.998861   -4.726144  -17.391603     2  4210
4214  4213  O     -3.168580    4.165973  -14.062415     1  4214  4215
4215  4214  H     -2.950611    3.343059  -13.635398     2  4213
4216  4215  H     -2.670889    4.786950  -13.588837     2  4213
4217  4216  O      0.613956   -3.206746  -20.478613     1  4217  4218
4218  4217  H      0.820544   -4.137325  -20.324745     2  4216
4219  4218  H     -0.292711   -3.055640  -20.189626     2  4216
4220  4219  O      2.010300   -2.735862   -9.397121     1  4220  4221
4221  4220  H      1.249964   -3.158140   -9.014793     2  4219
4222  4221  H      2.583184   -3.493657   -9.638658     2  4219
4223  4222  O     -8.114478   -4.211835  -24.541408     1  4223  4224
4224  4223  H     -8.756813   -4.670523  -23.956538     2  4222
4225  4224  H     -7.515936   -3.623395  -24.020384     2  4222
4226  4225  O      2.369419    3.178295  -18.124073     1  4226  4227
4227  4226  H      1.889103    3.201667  -18.996703     2  4225
4228  4227  H      2.242938    4.002034  -17.662109     2  4225
4229  4228  O     -0.884669    1.231632  -26.010434     1  4229  4230
4230  4229  H     -1.755180    0.824218  -26.087763     2  4228
4231  4230  H     -0.493905    0.818367  -25.243090     2  4228
4232  4231  O     -5.261896   10.295339  -13.725483     1  4232  4233
4233  4232  H     -4.944047    9.592869  -13.222292     2  4231
4234  4233  H     -4.982392   10.253778  -14.635299     2  4231
4235  4234  O     10.108777   -4.928849  -16.076491     1  4235  4236
4236  4235  H     11.019074   -4.856344  -16.288907     2  4234
4237  4236  H     10.174087   -5.226437  -15.106344     2  4234
4238  4237  O     -3.171786    0.642814  -14.953321     1  4238  4239
4239  4238  H     -2.224036    0.710000  -15.163171     2  4237
4240  4239  H     -3.272988    1.067022  -14.099517     2  4237
4241  4240  O      5.837096    0.044496  -13.265870     1  4241  4242
4242  4241  H      6.660312   -0.516815  -13.382340     2  4240
4243  4242  H      5.121898   -0.472715  -12.822420     2  4240
4244  4243  O     -5.053192   -0.122597  -18.882851     1  4244  4245
4245  4244  H     -5.278615    0.551944  -18.278360     2  4243
4246  4245  H     -4.700572   -0.874667  -18.328059     2  4243
4247  4246  O      7.049845   -7.875807  -13.585297     1  4247  4248
4248  4247  H      7.045357   -6.836132  -13.782787     2  4246
4249  4248  H      7.781033   -7.965106  -12.954323     2  4246
4250  4249  O      3.348489   -4.724738  -17.906391     1  4250  4251
4251  4250  H      3.760315   -5.675712  -17.727509     2  4249
4252  4251  H      2.453304   -4.838537  -17.571958     2  4249
4253  4252  O     -3.335211   -7.038822  -22.743896     1  4253  4254
4254  4253  H     -2.775358   -6.241564  -23.005848     2  4252
4255  4254  H     -4.169100   -7.075815  -23.289249     2  4252
4256  4255  O     -5.237855   -7.450385  -12.864984     1  4256  4257
4257  4256  H     -5.671006   -6.608030  -13.071083     2  4255
4258  4257  H     -5.943556   -7.871535  -12.234318     2  4255
4259  4258  O      6.259790    9.948997  -10.340023     1  4259  4260
4260  4259  H      6.729559    9.687061  -11.097779     2  4258
4261  4260  H      5.990374    9.170906   -9.872285     2  4258
4262  4261  O     -5.225783    0.043378  -12.673664     1  4262  4263
4263  4262  H     -5.881393    0.636913  -13.084274     2  4261
4264  4263  H     -4.478395    0.636120  -12.341679     2  4261
4265  4264  O     -4.166009    4.662996  -19.726302     1  4265  4266
4266  4265  H     -4.852042    4.486464  -19.090867     2  4264
4267  4266  H     -3.413130    4.879926  -19.228239     2  4264
4268  4267  O     21.928631   19.201437    0.530752     1  4268  4269
4269  4268  H     21.319563   19.897948    0.725597     2  4267
4270  4269  H     21.401424   18.376993    0.533554     2  4267
4271  4270  O      0.198706   -4.409174  -27.771705     1  4271  4272
4272  4271  H     -0.123490   -3.930138  -27.007855     2  4270
4273  4272  H      1.043290   -4.025662  -28.017149     2  4270
4274  4273  O      3.940426    9.373877   26.462545     1  4274  4275
4275  4274  H      4.560569    9.235482   25.713508     2  4273
4276  4275  H      4.284250   10.127265   26.976220     2  4273
4277  4276  O      1.620325    9.854934  -18.403060     1  4277  4278
4278  4277  H      1.862999    9.016955  -17.996772     2  4276
4279  4278  H      2.504206   10.201449  -18.758821     2  4276
4280  4279  O     -2.344863   -9.679511  -23.039407     1  4280  4281
4281  4280  H     -2.498007   -9.924759  -22.115452     2  4279
4282  4281  H     -2.814562   -8.785311  -23.032683     2  4279
4283  4282  O     -0.568248   -4.933442  -14.643656     1  4283  4284
4284  4283  H     -1.454452   -5.191578  -14.442288     2  4282
4285  4284  H     -0.455935   -4.080717  -14.182666     2  4282
4286  4285  O      6.054232   -8.669643  -17.287328     1  4286  4287
4287  4286  H      5.991053   -7.755585  -17.031924     2  4285
4288  4287  H      6.661025   -9.039156  -16.589429     2  4285
4289  4288  O     -7.631934    4.279901  -14.537072     1  4289  4290
4290  4289  H     -6.840668    4.672375  -14.920719     2  4288
4291  4290  H     -8.435753    4.596166  -15.046267     2  4288
4292  4291  O     -0.860786   -8.886601  -18.395065     1  4292  4293
4293  4292  H     -1.171189   -8.388206  -19.160270     2  4291
4294  4293  H      0.023569   -9.120071  -18.643485     2  4291
4295  4294  O      0.642136    1.334993   27.631747     1  4295  4296
4296  4295  H      1.222817    0.559282   27.814104     2  4294
4297  4296  H      0.034194    1.267081   28.350243     2  4294
4298  4297  O      7.985507   -0.934429  -18.564363     1  4298  4299
4299  4298  H      8.751576   -1.402223  -18.240553     2  4297
4300  4299  H      8.297266   -0.578436  -19.435208     2  4297
4301  4300  O     -9.493490   -5.530532  -22.424060     1  4301  4302
4302  4301  H    -10.438485   -5.606475  -22.300272     2  4300
4303  4302  H     -9.122557   -5.797609  -21.481081     2  4300
4304  4303  O     -0.170712   -6.733148  -10.289916     1  4304  4305
4305  4304  H     -0.908830   -6.540805  -10.856289     2  4303
4306  4305  H     -0.178342   -6.278911   -9.398443     2  4303
4307  4306  O     -5.040398    1.292717  -22.562151     1  4307  4308
4308  4307  H     -5.872481    0.868026  -22.344447     2  4306
4309  4308  H     -4.733784    1.796798  -21.828947     2  4306
4310  4309  O     -8.915995   -2.756051  -18.828593     1  4310  4311
4311  4310  H     -9.361872   -2.302304  -19.547228     2  4309
4312  4311  H     -9.445874   -3.454904  -18.485660     2  4309
4313  4312  O     -8.147771    6.442000  -18.884302     1  4313  4314
4314  4313  H     -8.867401    7.067547  -18.708128     2  4312
4315  4314  H     -8.638883    5.587425  -19.092381     2  4312
4316  4315  O      3.800429    1.568462  -15.254540     1  4316  4317
4317  4316  H      4.576532    1.006843  -14.906313     2  4315
4318  4317  H      4.014022    2.013361  -16.042187     2  4315
4319  4318  O     -2.095927    4.337087   27.138978     1  4319  4320
4320  4319  H     -1.850363    3.758857   26.381242     2  4318
4321  4320  H     -1.571248    3.990976   27.888356     2  4318
4322  4321  O     20.881895   15.868882    3.358623     1  4322  4323
4323  4322  H     20.300509   15.104248    3.068942     2  4321
4324  4323  H     20.290371   16.415198    3.889695     2  4321
4325  4324  O     -6.076338   -4.027891  -26.505129     1  4325  4326
4326  4325  H     -6.222409   -4.448605  -27.366878     2  4324
4327  4326  H     -6.791325   -4.402054  -25.890247     2  4324
4328  4327  O      7.122210   -2.695799  -27.409235     1  4328  4329
4329  4328  H      7.366027   -1.810685  -27.738722     2  4327
4330  4329  H      7.033292   -2.669411  -26.501081     2  4327
4331  4330  O      2.402686   -7.085947   24.742857     1  4331  4332
4332  4331  H      2.919048   -6.276335   24.845629     2  4330
4333  4332  H      1.779625   -6.890800   24.058176     2  4330
4334  4333  O     -3.135199    4.134992  -10.949759     1  4334  4335
4335  4334  H     -4.012543    4.520731  -11.174008     2  4333
4336  4335  H     -2.928033    4.484166  -10.089656     2  4333
4337  4336  O     -4.692432   -2.687746  -18.036034     1  4337  4338
4338  4337  H     -3.933023   -3.136944  -17.698280     2  4336
4339  4338  H     -5.356829   -2.794291  -17.365496     2  4336
4340  4339  O      1.094753   -7.855936  -26.240631     1  4340  4341
4341  4340  H      0.534250   -8.720470  -26.023747     2  4339
4342  4341  H      1.340585   -7.903766  -27.187840     2  4339
4343  4342  O     -8.794434  -10.816850  -11.728032     1  4343  4344
4344  4343  H     -9.407053  -11.548610  -11.588998     2  4342
4345  4344  H     -9.330415  -10.051808  -12.100309     2  4342
4346  4345  O     19.899959  -17.897803    1.818705     1  4346  4347
4347  4346  H     19.775613  -17.271326    2.533712     2  4345
4348  4347  H     19.286409  -17.634537    1.133332     2  4345
4349  4348  O     -9.291255    0.819985  -17.569783     1  4349  4350
4350  4349  H     -8.813294    0.446673  -18.339818     2  4348
4351  4350  H     -8.593762    1.097729  -16.924634     2  4348
4352  4351  O     -7.008924   -5.300631  -13.558703     1  4352  4353
4353  4352  H     -7.162482   -5.092041  -12.622424     2  4351
4354  4353  H     -7.766674   -5.862094  -13.762777     2  4351
4355  4354  O     -4.661135    1.577397  -25.155719     1  4355  4356
4356  4355  H     -4.735020    1.459178  -24.201406     2  4354
4357  4356  H     -4.003317    2.210958  -25.134977     2  4354
4358  4357  O     -4.872381  -10.257543  -24.854819     1  4358  4359
4359  4358  H     -5.376778  -11.076303  -24.776251     2  4357
4360  4359  H     -5.062501   -9.872194  -25.717612     2  4357
4361  4360  O      4.589939    2.481317   27.565123     1  4361  4362
4362  4361  H      3.988339    2.810486   28.243330     2  4360
4363  4362  H      3.971458    1.875352   27.077179     2  4360
4364  4363  O      1.483029    0.652582  -17.135929     1  4364  4365
4365  4364  H      1.593177    0.190492  -17.976912     2  4363
4366  4365  H      1.985029    1.506501  -17.262547     2  4363
4367  4366  O     -1.042573    1.825558  -19.872389     1  4367  4368
4368  4367  H     -0.156150    1.977057  -20.195058     2  4366
4369  4368  H     -1.014306    0.854400  -20.004263     2  4366
4370  4369  O     -0.765112    6.261938  -15.766908     1  4370  4371
4371  4370  H     -1.156143    5.979245  -14.939156     2  4369
4372  4371  H     -0.595767    7.250919  -15.623974     2  4369
4373  4372  O     -6.356407   -9.769279  -16.892521     1  4373  4374
4374  4373  H     -6.576624  -10.076420  -16.008648     2  4372
4375  4374  H     -6.964526  -10.071975  -17.526529     2  4372
4376  4375  O      6.486826   -2.912787  -10.572740     1  4376  4377
4377  4376  H      7.294873   -2.699644  -11.135998     2  4375
4378  4377  H      6.663854   -3.766663  -10.153115     2  4375
4379  4378  O     -2.007897   -6.997195  -20.231743     1  4379  4380
4380  4379  H     -2.259319   -7.177787  -21.202168     2  4378
4381  4380  H     -2.764914   -6.638564  -19.843926     2  4378
4382  4381  O     -3.781764    8.344921  -27.820303     1  4382  4383
4383  4382  H     -3.546172    8.117252  -28.715500     2  4381
4384  4383  H     -4.578114    8.889569  -27.897970     2  4381
4385  4384  O     -5.357926    5.528063  -15.307705     1  4385  4386
4386  4385  H     -5.146856    5.895632  -16.156504     2  4384
4387  4386  H     -4.614292    4.961806  -15.103100     2  4384
4388  4387  O     -1.817555    6.177589  -18.367196     1  4388  4389
4389  4388  H     -1.642907    6.003795  -17.446409     2  4387
4390  4389  H     -1.957970    7.105935  -18.415834     2  4387
4391  4390  O     -6.139246    4.937353   25.408202     1  4391  4392
4392  4391  H     -5.680583    4.095855   25.502581     2  4390
4393  4392  H     -6.898362    4.892222   26.030253     2  4390
4394  4393  O     -7.754925   -2.218808  -16.341535     1  4394  4395
4395  4394  H     -7.928500   -2.158126  -17.266398     2  4393
4396  4395  H     -7.123318   -2.888314  -16.124662     2  4393
4397  4396  O      5.637928   -1.053716  -21.592889     1  4397  4398
4398  4397  H      6.310667   -0.369990  -21.789943     2  4396
4399  4398  H      6.116212   -1.835621  -21.249668     2  4396
4400  4399  O      0.873434    5.670611  -21.970464     1  4400  4401
4401  4400  H      1.130922    4.823958  -22.286347     2  4399
4402  4401  H      1.206420    6.328063  -22.623725     2  4399
4403  4402  O      4.135000   -4.044268  -25.754121     1  4403  4404
4404  4403  H      4.303407   -4.901985  -25.258818     2  4402
4405  4404  H      3.160122   -3.930954  -25.791940     2  4402
4406  4405  O      1.942815    2.881231  -21.054102     1  4406  4407
4407  4406  H      2.009332    2.068134  -21.539624     2  4405
4408  4407  H      2.454407    3.520417  -21.542539     2  4405
4409  4408  O     -3.422419   -8.822350  -11.161950     1  4409  4410
4410  4409  H     -2.453895   -8.950884  -11.430723     2  4408
4411  4410  H     -3.817196   -8.208471  -11.802360     2  4408
4412  4411  O     -9.135610   -1.285131  -12.416511     1  4412  4413
4413  4412  H     -9.311072   -0.366189  -12.710195     2  4411
4414  4413  H     -9.152109   -1.845364  -13.201176     2  4411
4415  4414  O      5.215531   -1.990898  -15.489420     1  4415  4416
4416  4415  H      4.290114   -1.713331  -15.468640     2  4414
4417  4416  H      5.340211   -2.611574  -14.755575     2  4414
4418  4417  O     -6.998218    7.359756  -23.826259     1  4418  4419
4419  4418  H     -6.725455    6.574503  -24.316851     2  4417
4420  4419  H     -6.570553    7.363247  -22.974273     2  4417
4421  4420  O     -1.198492    0.527949  -17.310533     1  4421  4422
4422  4421  H     -0.302923    0.789416  -17.250802     2  4420
4423  4422  H     -1.633237    1.365511  -17.141491     2  4420
4424  4423  O      5.873887    1.797283  -18.962263     1  4424  4425
4425  4424  H      5.994198    1.429674  -19.875763     2  4423
4426  4425  H      5.616032    1.012302  -18.515308     2  4423
4427  4426  O      3.752275   -4.572304  -20.837718     1  4427  4428
4428  4427  H      4.535016   -4.064400  -20.588194     2  4426
4429  4428  H      3.325258   -4.688455  -19.994496     2  4426
4430  4429  O     -3.661377    3.856199  -24.469264     1  4430  4431
4431  4430  H     -4.219419    4.698123  -24.419882     2  4429
4432  4431  H     -3.377102    3.696677  -23.527724     2  4429
4433  4432  O     -0.236046   -0.349400  -23.745005     1  4433  4434
4434  4433  H      0.408587   -0.091135  -23.054248     2  4432
4435  4434  H     -1.116506   -0.409212  -23.362727     2  4432
4436  4435  O      4.748126    4.152437  -19.627337     1  4436  4437
4437  4436  H      4.386615    5.021091  -19.640155     2  4435
4438  4437  H      4.116058    3.589589  -19.089234     2  4435
4439  4438  O      1.734230    0.347936  -21.985553     1  4439  4440
4440  4439  H      2.416582   -0.135293  -22.419981     2  4438
4441  4440  H      1.547049   -0.050535  -21.142349     2  4438
4442  4441  O      6.382980    4.757069  -25.075496     1  4442  4443
4443  4442  H      5.931751    5.018221  -25.889119     2  4441
4444  4443  H      7.385445    4.704212  -25.312587     2  4441
4445  4444  O     -4.890053    1.586452  -16.676447     1  4445  4446
4446  4445  H     -4.880676    2.543176  -16.841743     2  4444
4447  4446  H     -4.118607    1.422592  -16.061965     2  4444
4448  4447  O      6.993285    0.262034  -25.359133     1  4448  4449
4449  4448  H      6.974307   -0.682234  -25.213795     2  4447
4450  4449  H      7.722529    0.451454  -26.008179     2  4447
4451  4450  O     -5.789859    5.009084  -11.459220     1  4451  4452
4452  4451  H     -6.148576    4.150737  -11.755004     2  4450
4453  4452  H     -5.915545    5.681258  -12.171414     2  4450
4454  4453  O     13.187124    0.595211  -25.758560     1  4454  4455
4455  4454  H     13.302524   -0.341771  -25.878626     2  4453
4456  4455  H     13.840853    0.941843  -25.180448     2  4453
4457  4456  O     -5.085553   -6.852418  -24.783274     1  4457  4458
4458  4457  H     -4.600655   -6.331206  -25.438060     2  4456
4459  4458  H     -5.557710   -7.462899  -25.322484     2  4456
4460  4459  O      5.726455    6.953155  -15.047924     1  4460  4461
4461  4460  H      6.369597    7.441139  -14.413165     2  4459
4462  4461  H      5.728159    6.024388  -14.882523     2  4459
4463  4462  O      0.558174   -6.090616  -19.602076     1  4463  4464
4464  4463  H     -0.440113   -6.294947  -19.750204     2  4462
4465  4464  H      0.620391   -5.712257  -18.712917     2  4462
4466  4465  O      7.049516   -5.089878  -13.914259     1  4466  4467
4467  4466  H      6.962867   -4.620983  -14.792641     2  4465
4468  4467  H      6.293398   -4.712241  -13.410610     2  4465
4469  4468  O      1.358178   -8.874359   26.624527     1  4469  4470
4470  4469  H      0.519253   -9.258769   26.206797     2  4468
4471  4470  H      1.703717   -8.227391   26.007404     2  4468
4472  4471  O     -6.187042    7.133505  -13.121307     1  4472  4473
4473  4472  H     -5.568817    7.559770  -12.446037     2  4471
4474  4473  H     -5.846453    6.793782  -13.986897     2  4471
4475  4474  O     -1.548906    7.576272   -7.232504     1  4475  4476
4476  4475  H     -1.229632    6.776851   -6.791611     2  4474
4477  4476  H     -0.762361    7.983345   -7.643025     2  4474
4478  4477  O      6.722548   -4.584808  -22.867166     1  4478  4479
4479  4478  H      6.873741   -5.355338  -23.353154     2  4477
4480  4479  H      7.591287   -4.584138  -22.408597     2  4477
4481  4480  O     -9.237231    4.318841   26.570899     1  4481  4482
4482  4481  H    -10.043298    3.828305   26.279992     2  4480
4483  4482  H     -9.422630    5.253401   26.434882     2  4480
4484  4483  O     -7.286906    6.915582   -9.474327     1  4484  4485
4485  4484  H     -7.705672    6.411729  -10.184841     2  4483
4486  4485  H     -6.776307    6.269038   -8.990962     2  4483
4487  4486  O      0.550598   -8.434386  -13.791941     1  4487  4488
4488  4487  H     -0.250758   -8.004577  -14.111956     2  4486
4489  4488  H      1.169445   -7.740080  -13.717993     2  4486
4490  4489  O      1.739429   -0.884826  -19.490347     1  4490  4491
4491  4490  H      1.746560   -1.824149  -19.753860     2  4489
4492  4491  H      2.744596   -0.634440  -19.397293     2  4489
4493  4492  O      4.394017   -0.481584  -19.120681     1  4493  4494
4494  4493  H      4.773971   -1.262934  -18.654335     2  4492
4495  4494  H      4.846379   -0.523111  -19.959698     2  4492
4496  4495  O      1.930856   -3.682960  -23.073542     1  4496  4497
4497  4496  H      2.532159   -4.015349  -22.409081     2  4495
4498  4497  H      1.383455   -3.010700  -22.640942     2  4495
4499  4498  O      9.110866    6.695536  -23.414862     1  4499  4500
4500  4499  H      9.035165    7.049813  -24.306129     2  4498
4501  4500  H      9.967674    7.011252  -23.086359     2  4498
4502  4501  O     -6.827154    2.829494   27.413471     1  4502  4503
4503  4502  H     -6.072864    3.458605   27.557653     2  4501
4504  4503  H     -7.674604    3.301080   27.438363     2  4501
4505  4504  O     -8.007164    2.638570  -19.872410     1  4505  4506
4506  4505  H     -8.906093    2.738940  -19.589458     2  4504
4507  4506  H     -7.840469    1.679411  -19.711726     2  4504
4508  4507  O     -4.328462   -5.791971  -19.567188     1  4508  4509
4509  4508  H     -4.530457   -4.860943  -19.837415     2  4507
4510  4509  H     -4.349391   -5.859436  -18.613245     2  4507
4511  4510  O      4.442315    4.713166   -6.833262     1  4511  4512
4512  4511  H      3.492443    4.560573   -6.624485     2  4510
4513  4512  H      4.603189    4.626360   -7.772203     2  4510
4514  4513  O     -1.707072   -3.832282  -25.348165     1  4514  4515
4515  4514  H     -1.814257   -3.983920  -24.419625     2  4513
4516  4515  H     -2.232025   -2.974651  -25.521112     2  4513
4517  4516  O     -2.892515    1.761997  -12.294692     1  4517  4518
4518  4517  H     -3.045641    2.507566  -11.673612     2  4516
4519  4518  H     -2.202016    1.277423  -11.885303     2  4516
4520  4519  O     -4.524599    4.270751  -27.814252     1  4520  4521
4521  4520  H     -3.891720    4.217043  -27.022097     2  4519
4522  4521  H     -3.871337    4.152806  -28.534293     2  4519
4523  4522  O     -4.032765   -2.630234  -25.472210     1  4523  4524
4524  4523  H     -4.525590   -3.331333  -25.857507     2  4522
4525  4524  H     -4.608213   -2.477650  -24.691101     2  4522
4526  4525  O     -7.678611   -7.574304  -23.643128     1  4526  4527
4527  4526  H     -8.555085   -7.270488  -23.378204     2  4525
4528  4527  H     -6.996993   -6.998341  -23.257823     2  4525
4529  4528  O     -0.019910    0.604330  -12.709021     1  4529  4530
4530  4529  H      0.565734    0.849732  -11.972884     2  4528
4531  4530  H     -0.219626    1.371369  -13.248304     2  4528
4532  4531  O      0.570552   -3.395252  -11.864856     1  4532  4533
4533  4532  H      0.779650   -3.421428  -10.892174     2  4531
4534  4533  H      1.342254   -3.721214  -12.336990     2  4531
4535  4534  O     -4.077712    6.087193  -22.270370     1  4535  4536
4536  4535  H     -3.744562    6.872728  -21.831722     2  4534
4537  4536  H     -4.401383    5.455524  -21.568512     2  4534
4538  4537  O     -6.499768   -4.692280  -10.933540     1  4538  4539
4539  4538  H     -7.244171   -4.669253  -10.351219     2  4537
4540  4539  H     -6.105703   -3.735792  -10.899269     2  4537
4541  4540  O     -2.291115    3.135975  -16.617592     1  4541  4542
4542  4541  H     -1.700287    3.760692  -17.009128     2  4540
4543  4542  H     -2.563337    3.507991  -15.755028     2  4540
4544  4543  O      2.474490   -3.809198   27.036743     1  4544  4545
4545  4544  H      2.602885   -3.312517   26.218395     2  4543
4546  4545  H      3.367375   -3.858996   27.451179     2  4543
4547  4546  O      4.535600    2.881944  -24.165066     1  4547  4548
4548  4547  H      5.136161    3.512507  -24.490726     2  4546
4549  4548  H      4.568268    2.041808  -24.676641     2  4546
4550  4549  O      0.644226   -4.472219  -17.324214     1  4550  4551
4551  4550  H      0.374126   -3.544891  -17.339952     2  4549
4552  4551  H      0.259066   -4.780345  -16.518469     2  4549
4553  4552  O      4.472083    0.589179  -26.019072     1  4553  4554
4554  4553  H      5.397354    0.547790  -26.167852     2  4552
4555  4554  H      4.039996   -0.016752  -26.658428     2  4552
4556  4555  O      0.722083   -6.247809  -23.682973     1  4556  4557
4557  4556  H      1.296851   -5.473486  -23.800907     2  4555
4558  4557  H      0.618735   -6.719903  -24.504469     2  4555
4559  4558  O      4.197865   -9.070750  -10.221220     1  4559  4560
4560  4559  H      4.394603   -8.764619  -11.086245     2  4558
4561  4560  H      4.329128   -8.324286   -9.567894     2  4558
4562  4561  O     -1.919728    4.068175   -8.695980     1  4562  4563
4563  4562  H     -1.845710    3.165983   -8.359047     2  4561
4564  4563  H     -1.053549    4.473329   -8.707080     2  4561
4565  4564  O     -2.241569   -0.591176  -19.678824     1  4565  4566
4566  4565  H     -1.910548   -0.568011  -18.770458     2  4564
4567  4566  H     -3.145162   -0.239178  -19.712466     2  4564
4568  4567  O    -13.315468   -5.740570  -15.994976     1  4568  4569
4569  4568  H    -14.312946   -5.854729  -15.906874     2  4567
4570  4569  H    -13.041967   -6.301046  -16.694755     2  4567
4571  4570  O     -2.410259   -2.289026   -9.525777     1  4571  4572
4572  4571  H     -3.120445   -2.381269   -8.898593     2  4570
4573  4572  H     -2.271682   -1.336032   -9.692598     2  4570
4574  4573  O      5.909787   -5.968173  -17.438375     1  4574  4575
4575  4574  H      6.463554   -5.331350  -17.066079     2  4573
4576  4575  H      6.241703   -6.076179  -18.337955     2  4573
4577  4576  O     -5.826076    9.826452  -17.312284     1  4577  4578
4578  4577  H     -5.253471   10.484082  -16.909282     2  4576
4579  4578  H     -6.310064   10.233340  -18.020669     2  4576
4580  4579  O     -7.591738    1.678437  -15.660084     1  4580  4581
4581  4580  H     -7.737583    2.617220  -15.388224     2  4579
4582  4581  H     -6.663342    1.636984  -15.986894     2  4579
4583  4582  O     -4.714384   -5.560212   -8.927912     1  4583  4584
4584  4583  H     -5.113487   -6.381208   -8.470691     2  4582
4585  4584  H     -5.254197   -5.331084   -9.696334     2  4582
4586  4585  O      3.632556    7.945946  -21.847717     1  4586  4587
4587  4586  H      3.950612    8.828964  -21.847597     2  4585
4588  4587  H      4.065561    7.284081  -22.450889     2  4585
4589  4588  O     -1.602801   -4.979579  -22.762510     1  4589  4590
4590  4589  H     -1.713153   -4.503465  -21.912759     2  4588
4591  4590  H     -0.651135   -5.369768  -22.763791     2  4588
4592  4591  O    -10.712370   -1.123882  -20.723780     1  4592  4593
4593  4592  H    -11.315467   -0.963290  -20.010804     2  4591
4594  4593  H    -11.142037   -1.853501  -21.241415     2  4591
4595  4594  O     -2.846790   -8.322281   -8.493601     1  4595  4596
4596  4595  H     -3.318445   -8.537223   -9.346557     2  4594
4597  4596  H     -2.389877   -9.129506   -8.180587     2  4594
4598  4597  O      2.228993   -7.366254  -21.528312     1  4598  4599
4599  4598  H      1.680772   -7.003265  -22.267961     2  4597
4600  4599  H      1.749017   -6.926267  -20.816137     2  4597
4601  4600  O     -5.316021    6.973244  -17.582283     1  4601  4602
4602  4601  H     -5.392607    7.934783  -17.562189     2  4600
4603  4602  H     -6.008470    6.726330  -18.209615     2  4600
4604  4603  O     17.607778   22.517928    0.021544     1  4604  4605
4605  4604  H     17.939308   23.364281    0.430601     2  4603
4606  4605  H     17.901226   22.473009   -0.888536     2  4603
4607  4606  O      6.694962   10.029967  -24.222673     1  4607  4608
4608  4607  H      7.451417    9.793274  -23.710012     2  4606
4609  4608  H      6.020751    9.390342  -24.028056     2  4606
4610  4609  O      5.169933    7.060349  -23.937141     1  4610  4611
4611  4610  H      4.519545    7.119756  -24.623151     2  4609
4612  4611  H      5.485826    6.160132  -24.002539     2  4609
4613  4612  O     -6.079557   -7.645567  -20.824158     1  4613  4614
4614  4613  H     -5.290811   -7.136913  -20.602780     2  4612
4615  4614  H     -5.841135   -8.363541  -21.352209     2  4612
4616  4615  O     -0.387554   -9.305215  -11.413989     1  4616  4617
4617  4616  H     -0.125413   -8.518618  -10.876475     2  4615
4618  4617  H     -0.068139   -9.061902  -12.283858     2  4615
4619  4618  O     -4.058119   -1.960909  -13.970156     1  4619  4620
4620  4619  H     -4.431487   -1.120755  -14.315643     2  4618
4621  4620  H     -3.165696   -1.751770  -13.873609     2  4618
4622  4621  O      5.048810   -7.063382  -21.855719     1  4622  4623
4623  4622  H      4.105331   -6.838496  -21.707135     2  4621
4624  4623  H      5.168284   -6.726637  -22.767894     2  4621
4625  4624  O     -7.827218    3.684528  -22.558479     1  4625  4626
4626  4625  H     -7.853879    3.399696  -21.593452     2  4624
4627  4626  H     -7.062638    3.278959  -23.002975     2  4624
4628  4627  O      1.014492    2.757512  -14.894864     1  4628  4629
4629  4628  H      1.374254    3.529403  -15.370366     2  4627
4630  4629  H      1.649653    2.073998  -14.999698     2  4627
4631  4630  O      8.666242   -6.850944  -23.713483     1  4631  4632
4632  4631  H      8.845895   -7.727734  -23.952109     2  4630
4633  4632  H      9.329992   -6.586022  -23.027492     2  4630
4634  4633  O     -7.339603   -1.519318  -25.851410     1  4634  4635
4635  4634  H     -6.955982   -2.111236  -26.464010     2  4633
4636  4635  H     -7.412172   -0.655731  -26.301275     2  4633
4637  4636  O      7.661384   -3.812549  -16.448545     1  4637  4638
4638  4637  H      7.795049   -2.824593  -16.368129     2  4636
4639  4638  H      8.580357   -4.075045  -16.338132     2  4636
4640  4639  O     -1.822358    7.607673  -25.868760     1  4640  4641
4641  4640  H     -1.952687    7.169055  -24.976330     2  4639
4642  4641  H     -2.666965    7.484798  -26.319272     2  4639
4643  4642  O      2.368696   -0.778119   -7.337568     1  4643  4644
4644  4643  H      2.527504   -1.534967   -7.937589     2  4642
4645  4644  H      3.235396   -0.486572   -6.996192     2  4642
4646  4645  O      5.216795   -3.025695   26.502467     1  4646  4647
4647  4646  H      5.516040   -2.132862   26.459360     2  4645
4648  4647  H      5.621307   -3.333054   27.307219     2  4645
4649  4648  O      2.519644  -11.663915  -17.229828     1  4649  4650
4650  4649  H      2.108507  -12.268950  -17.850052     2  4648
4651  4650  H      3.288734  -11.287862  -17.620221     2  4648
4652  4651  O     -9.974319    7.629790   -9.840468     1  4652  4653
4653  4652  H     -9.591561    7.557539  -10.728912     2  4651
4654  4653  H    -10.662922    6.924831   -9.842691     2  4651
4655  4654  O      8.827601   -3.124724  -12.626985     1  4655  4656
4656  4655  H      9.061026   -2.548986  -13.393908     2  4654
4657  4656  H      8.210251   -3.779980  -12.969011     2  4654
4658  4657  O      7.699695   -5.092848   -9.214140     1  4658  4659
4659  4658  H      8.610420   -5.228197   -9.505735     2  4657
4660  4659  H      7.565332   -5.386392   -8.312297     2  4657
4661  4660  O     -2.013326   -7.550989  -13.938526     1  4661  4662
4662  4661  H     -2.643600   -8.179363  -14.259138     2  4660
4663  4662  H     -2.358571   -7.028022  -13.174770     2  4660
4664  4663  O      2.353284    2.426589  -12.553803     1  4664  4665
4665  4664  H      1.887167    2.793728  -13.272266     2  4663
4666  4665  H      3.268448    2.367075  -12.891313     2  4663
4667  4666  O     -9.973131    4.692760  -16.044212     1  4667  4668
4668  4667  H    -10.560349    3.965173  -15.847349     2  4666
4669  4668  H     -9.966891    4.782708  -17.058715     2  4666
4670  4669  O      9.293191    5.419870   22.193312     1  4670  4671
4671  4670  H      8.465625    5.879371   21.827914     2  4669
4672  4671  H      9.435884    5.901834   23.020103     2  4669
4673  4672  O     -2.183882   -9.808684   24.052295     1  4673  4674
4674  4673  H     -1.782109   -9.941378   23.142062     2  4672
4675  4674  H     -1.673071  -10.426705   24.636017     2  4672
4676  4675  O     -7.242609   -2.837643   25.180437     1  4676  4677
4677  4676  H     -7.404599   -2.708526   24.247558     2  4675
4678  4677  H     -7.717816   -2.211672   25.784180     2  4675
4679  4678  O      8.573536    2.522086    9.928101     1  4679  4680
4680  4679  H      7.831073    3.194744    9.953395     2  4678
4681  4680  H      8.328838    1.868671   10.613415     2  4678
4682  4681  O      6.355341    3.432081   20.907834     1  4682  4683
4683  4682  H      7.298012    3.368061   20.634810     2  4681
4684  4683  H      5.798088    3.257773   20.157785     2  4681
4685  4684  O     -2.200278  -11.703726   17.324669     1  4685  4686
4686  4685  H     -1.873373  -12.229241   16.568252     2  4684
4687  4686  H     -2.723227  -10.966522   16.903070     2  4684
4688  4687  O     -8.341774   -3.527418   20.436426     1  4688  4689
4689  4688  H     -8.313246   -3.596062   21.328224     2  4687
4690  4689  H     -8.554543   -2.586122   20.145004     2  4687
4691  4690  O     -1.568312    1.181234   11.376321     1  4691  4692
4692  4691  H     -0.730015    0.717657   11.421558     2  4690
4693  4692  H     -2.172513    0.447118   11.669959     2  4690
4694  4693  O     -4.550873   -4.917519   16.003515     1  4694  4695
4695  4694  H     -4.696553   -4.344412   15.228611     2  4693
4696  4695  H     -5.014582   -4.591468   16.811011     2  4693
4697  4696  O     -5.035461   -5.719711   20.472722     1  4697  4698
4698  4697  H     -5.040745   -5.913998   19.520175     2  4696
4699  4698  H     -4.651006   -4.824684   20.441968     2  4696
4700  4699  O      6.875672    3.776193   23.536538     1  4700  4701
4701  4700  H      7.830968    3.681011   23.550895     2  4699
4702  4701  H      6.562532    3.879170   22.629055     2  4699
4703  4702  O     -1.121198    4.241319   12.379781     1  4703  4704
4704  4703  H     -1.327094    3.303550   12.536870     2  4702
4705  4704  H     -0.652027    4.594737   13.193192     2  4702
4706  4705  O     -1.841415    6.610356   22.969845     1  4706  4707
4707  4706  H     -1.131878    6.919274   23.549599     2  4705
4708  4707  H     -2.165327    7.439386   22.678884     2  4705
4709  4708  O      2.180905    3.378906  -27.220483     1  4709  4710
4710  4709  H      1.641006    3.815090  -26.541719     2  4708
4711  4710  H      1.596630    2.653762  -27.580945     2  4708
4712  4711  O      5.047938    5.547652   14.365797     1  4712  4713
4713  4712  H      4.623409    4.869871   13.891747     2  4711
4714  4713  H      4.487864    6.287808   14.374606     2  4711
4715  4714  O      6.559927    3.759725   26.374232     1  4715  4716
4716  4715  H      6.312841    3.639069   25.474496     2  4714
4717  4716  H      6.137429    3.097460   26.961153     2  4714
4718  4717  O     -7.309899    8.342518   11.546561     1  4718  4719
4719  4718  H     -7.424383    7.347090   11.293576     2  4717
4720  4719  H     -7.831628    8.954089   10.997030     2  4717
4721  4720  O     -9.765522    0.760396   22.119513     1  4721  4722
4722  4721  H    -10.090170   -0.034318   22.530507     2  4720
4723  4722  H     -9.534883    1.458443   22.755850     2  4720
4724  4723  O      3.553762   -1.654220   20.935898     1  4724  4725
4725  4724  H      3.773731   -1.761746   21.872999     2  4723
4726  4725  H      3.957004   -0.769645   20.820013     2  4723
4727  4726  O     -3.185878   -5.778063  -26.509212     1  4727  4728
4728  4727  H     -2.604773   -5.154450  -25.998439     2  4726
4729  4728  H     -3.517479   -5.272524  -27.219002     2  4726
4730  4729  O      0.972715    8.463702   11.988967     1  4730  4731
4731  4730  H      0.793170    7.603199   11.598542     2  4729
4732  4731  H      0.292693    9.055657   11.721125     2  4729
4733  4732  O    -10.824125   -9.452623   17.158307     1  4733  4734
4734  4733  H    -10.046432   -9.481190   17.704144     2  4732
4735  4734  H    -10.615862   -8.932937   16.348671     2  4732
4736  4735  O     -6.608881   -9.081425   20.041552     1  4736  4737
4737  4736  H     -5.771985   -9.462928   20.269600     2  4735
4738  4737  H     -6.381471   -8.343679   19.480080     2  4735
4739  4738  O     -9.761327    0.396440   15.983076     1  4739  4740
4740  4739  H     -9.600234   -0.530515   16.013251     2  4738
4741  4740  H    -10.475902    0.423718   15.256916     2  4738
4742  4741  O     12.344689   -7.924701   12.417434     1  4742  4743
4743  4742  H     13.133708   -8.467279   12.619973     2  4741
4744  4743  H     12.196959   -7.333511   13.137995     2  4741
4745  4744  O     -0.608584   -7.317356   17.890593     1  4745  4746
4746  4745  H     -0.665904   -6.305747   17.884545     2  4744
4747  4746  H      0.270996   -7.433080   18.326962     2  4744
4748  4747  O      2.327245   -3.772915   22.424742     1  4748  4749
4749  4748  H      1.632691   -3.086530   22.424930     2  4747
4750  4749  H      2.044564   -4.558468   21.844604     2  4747
4751  4750  O      6.018786   -1.292866   15.616484     1  4751  4752
4752  4751  H      5.064287   -1.550946   15.853387     2  4750
4753  4752  H      6.466269   -2.037710   16.039716     2  4750
4754  4753  O     -1.173879    6.784668   17.314930     1  4754  4755
4755  4754  H     -1.973911    6.408879   16.950871     2  4753
4756  4755  H     -1.127303    7.104448   18.239132     2  4753
4757  4756  O      1.572095    9.562749   24.978721     1  4757  4758
4758  4757  H      2.141543   10.148898   24.362103     2  4756
4759  4758  H      2.206756    9.430507   25.723315     2  4756
4760  4759  O     10.253665    6.669738   17.159393     1  4760  4761
4761  4760  H     11.097282    6.311026   16.932891     2  4759
4762  4761  H     10.266418    6.831841   18.120177     2  4759
4763  4762  O     -9.927088    3.318586   20.361180     1  4763  4764
4764  4763  H     -8.985400    3.437176   20.376394     2  4762
4765  4764  H    -10.086743    2.395351   20.556935     2  4762
4766  4765  O      4.067568    4.378079    9.977622     1  4766  4767
4767  4766  H      3.750556    4.758985   10.833705     2  4765
4768  4767  H      3.823560    3.466935   10.160259     2  4765
4769  4768  O    -22.155826   14.620255   -3.025925     1  4769  4770
4770  4769  H    -22.040830   15.478661   -3.422481     2  4768
4771  4770  H    -21.334103   14.316774   -2.716709     2  4768
4772  4771  O    -11.247934    4.587034   15.580692     1  4772  4773
4773  4772  H    -12.131817    4.200673   15.951461     2  4771
4774  4773  H    -11.228805    4.282632   14.664162     2  4771
4775  4774  O      3.966663   -4.683194   24.359807     1  4775  4776
4776  4775  H      4.470108   -3.987407   24.950253     2  4774
4777  4776  H      3.438911   -4.157851   23.693910     2  4774
4778  4777  O      5.744219   -5.786129   22.385637     1  4778  4779
4779  4778  H      4.936238   -5.519494   22.915494     2  4777
4780  4779  H      5.948653   -6.630948   22.757149     2  4777
4781  4780  O      6.510976   -3.602937   16.881966     1  4781  4782
4782  4781  H      7.231616   -4.216291   16.778512     2  4780
4783  4782  H      5.971210   -4.031927   17.564758     2  4780
4784  4783  O     -3.716605   -2.816555   20.843158     1  4784  4785
4785  4784  H     -4.244429   -3.017247   21.600399     2  4783
4786  4785  H     -2.865227   -3.209279   20.970017     2  4783
4787  4786  O    -13.512150    2.307977   17.354915     1  4787  4788
4788  4787  H    -12.580321    2.350972   17.161214     2  4786
4789  4788  H    -13.836157    3.203562   17.614788     2  4786
4790  4789  O      3.750814    4.925021   24.112787     1  4790  4791
4791  4790  H      3.430028    4.134174   23.616549     2  4789
4792  4791  H      3.085530    5.055725   24.825085     2  4789
4793  4792  O     -2.631013   -9.303838   19.138372     1  4793  4794
4794  4793  H     -2.279535   -9.651659   19.995062     2  4792
4795  4794  H     -1.880571   -8.773975   18.872388     2  4792
4796  4795  O     -4.133173   -0.240062   17.303372     1  4796  4797
4797  4796  H     -3.827985    0.654791   17.116611     2  4795
4798  4797  H     -5.001571   -0.149360   17.698845     2  4795
4799  4798  O      2.197192    4.277485   15.020480     1  4799  4800
4800  4799  H      2.755636    4.983297   14.685381     2  4798
4801  4800  H      1.727634    4.537490   15.817839     2  4798
4802  4801  O     -3.652272    5.363653   16.647461     1  4802  4803
4803  4802  H     -4.017007    6.239941   16.662011     2  4801
4804  4803  H     -3.705299    4.991410   17.582278     2  4801
4805  4804  O    -10.854965    2.323520   17.844975     1  4805  4806
4806  4805  H    -10.290997    1.768599   17.262994     2  4804
4807  4806  H    -10.346052    3.102690   18.090131     2  4804
4808  4807  O     -5.169789    2.169479   20.741848     1  4808  4809
4809  4808  H     -4.924961    1.207393   20.609461     2  4807
4810  4809  H     -5.407705    2.198967   21.685096     2  4807
4811  4810  O      8.284221   -8.487830   12.956811     1  4811  4812
4812  4811  H      8.930812   -8.860330   12.304154     2  4810
4813  4812  H      7.360264   -8.502990   12.601746     2  4810
4814  4813  O      8.888186    0.505271   22.148017     1  4814  4815
4815  4814  H      9.144950    0.613345   21.223468     2  4813
4816  4815  H      7.967636    0.396506   22.130613     2  4813
4817  4816  O      2.683598   -1.764825   25.158258     1  4817  4818
4818  4817  H      3.459654   -1.885233   24.623583     2  4816
4819  4818  H      1.960506   -1.703704   24.552916     2  4816
4820  4819  O     -6.523089   -5.257072   26.798300     1  4820  4821
4821  4820  H     -6.833694   -6.059316   26.345816     2  4819
4822  4821  H     -6.880471   -4.578761   26.314877     2  4819
4823  4822  O     -4.401028   -3.641131   23.312333     1  4823  4824
4824  4823  H     -4.482324   -4.525814   23.711451     2  4822
4825  4824  H     -5.287303   -3.280847   23.465062     2  4822
4826  4825  O     -0.003337    2.411277   19.121943     1  4826  4827
4827  4826  H      0.271760    2.956131   18.305605     2  4825
4828  4827  H      0.824390    2.154974   19.477213     2  4825
4829  4828  O      1.273061   -5.447060   20.159293     1  4829  4830
4830  4829  H      1.511787   -4.665682   19.612545     2  4828
4831  4830  H      1.731162   -6.156150   19.739538     2  4828
4832  4831  O     -1.103059   -3.696353   21.321511     1  4832  4833
4833  4832  H     -1.395885   -3.288882   22.130615     2  4831
4834  4833  H     -1.303357   -4.660773   21.422325     2  4831
4835  4834  O      1.831023   -1.058913  -27.918681     1  4835  4836
4836  4835  H      1.849554   -1.559634  -27.077843     2  4834
4837  4836  H      2.037279   -1.633880  -28.696316     2  4834
4838  4837  O     -3.436415   -0.106097  -26.892595     1  4838  4839
4839  4838  H     -4.211914    0.101894  -26.317683     2  4837
4840  4839  H     -3.288799   -1.037179  -26.678798     2  4837
4841  4840  O     -2.313042   -1.899543   15.158753     1  4841  4842
4842  4841  H     -2.074093   -2.807740   14.888877     2  4840
4843  4842  H     -2.642244   -1.896163   16.040730     2  4840
4844  4843  O      3.504741   -1.628592   11.619858     1  4844  4845
4845  4844  H      3.240707   -0.730046   11.461188     2  4843
4846  4845  H      4.367580   -1.500366   12.068201     2  4843
4847  4846  O      0.725682   -1.523339   23.074372     1  4847  4848
4848  4847  H      0.427872   -0.688478   22.604478     2  4846
4849  4848  H     -0.122789   -1.829886   23.470840     2  4846
4850  4849  O      6.643880    4.582251    9.948966     1  4850  4851
4851  4850  H      5.776244    4.520752    9.483035     2  4849
4852  4851  H      6.430137    5.259680   10.619995     2  4849
4853  4852  O     -4.736402    7.922281   16.908817     1  4853  4854
4854  4853  H     -4.977518    7.941361   17.833610     2  4852
4855  4854  H     -5.470793    8.496578   16.498910     2  4852
4856  4855  O     -0.122312    0.665654   16.730459     1  4856  4857
4857  4856  H     -0.338032   -0.204639   16.424884     2  4855
4858  4857  H      0.700304    0.425654   17.193284     2  4855
4859  4858  O     -2.578659    6.922587   19.819861     1  4859  4860
4860  4859  H     -3.485573    6.932306   19.464181     2  4858
4861  4860  H     -2.641430    6.086929   20.369422     2  4858
4862  4861  O      1.841251   -4.648996   14.715433     1  4862  4863
4863  4862  H      2.816426   -4.566342   14.767465     2  4861
4864  4863  H      1.575656   -4.449051   15.621124     2  4861
4865  4864  O     -4.724758   -1.898398   26.082001     1  4865  4866
4866  4865  H     -5.618265   -2.091205   25.746451     2  4864
4867  4866  H     -4.526821   -2.656519   26.586303     2  4864
4868  4867  O     -9.921267   -2.798861   14.736792     1  4868  4869
4869  4868  H     -9.845154   -2.260846   13.954116     2  4867
4870  4869  H    -10.873918   -2.909618   14.857340     2  4867
4871  4870  O      4.253814    3.075411   19.066562     1  4871  4872
4872  4871  H      3.989144    4.014150   19.168401     2  4870
4873  4872  H      4.346024    2.827934   18.090334     2  4870
4874  4873  O      2.986685    1.649284   10.659512     1  4874  4875
4875  4874  H      2.097225    2.037064   10.574553     2  4873
4876  4875  H      3.054023    1.560744   11.581588     2  4873
4877  4876  O     -8.006515    8.873209   24.566166     1  4877  4878
4878  4877  H     -7.415630    9.471101   25.032397     2  4876
4879  4878  H     -8.237934    8.171434   25.216630     2  4876
4880  4879  O    -21.678386   17.998446   -2.104534     1  4880  4881
4881  4880  H    -22.492662   18.235837   -2.499639     2  4879
4882  4881  H    -21.007625   18.155796   -2.736138     2  4879
4883  4882  O     -3.586787    4.015336   19.085302     1  4883  4884
4884  4883  H     -2.860009    3.985026   19.697174     2  4882
4885  4884  H     -4.192526    3.417225   19.519917     2  4882
4886  4885  O      8.348749    2.003501  -27.529725     1  4886  4887
4887  4886  H      9.213412    1.725844  -27.242231     2  4885
4888  4887  H      8.278484    2.833989  -27.056327     2  4885
4889  4888  O     -2.723285    1.488299   23.023758     1  4889  4890
4890  4889  H     -3.404294    1.155339   22.391851     2  4888
4891  4890  H     -2.879289    2.460262   22.999004     2  4888
4892  4891  O      1.819946  -12.027743   25.979002     1  4892  4893
4893  4892  H      2.445209  -11.843431   25.199397     2  4891
4894  4893  H      2.449952  -12.110939   26.736080     2  4891
4895  4894  O      3.395026   -2.312658   16.561624     1  4895  4896
4896  4895  H      3.648708   -2.823763   17.340949     2  4894
4897  4896  H      2.442549   -2.528805   16.379169     2  4894
4898  4897  O     -2.819130   -5.502934   11.625516     1  4898  4899
4899  4898  H     -3.683796   -5.236339   11.295758     2  4897
4900  4899  H     -2.209486   -4.856099   11.339821     2  4897
4901  4900  O     -1.251573   -6.958226   21.424712     1  4901  4902
4902  4901  H     -1.230048   -7.009657   20.479499     2  4900
4903  4902  H     -0.308856   -7.102511   21.702246     2  4900
4904  4903  O      2.526743    3.349102   22.081697     1  4904  4905
4905  4904  H      1.525323    3.418236   22.184856     2  4903
4906  4905  H      2.498011    3.007713   21.206052     2  4903
4907  4906  O     -7.956692    5.526401    9.983778     1  4907  4908
4908  4907  H     -7.142899    5.523439    9.465700     2  4906
4909  4908  H     -8.067405    4.642829   10.415721     2  4906
4910  4909  O     -6.668998   -1.335642   22.802402     1  4910  4911
4911  4910  H     -6.088999   -0.636402   23.190551     2  4909
4912  4911  H     -6.917759   -1.053741   21.886750     2  4909
4913  4912  O      1.066532    4.719982   17.662658     1  4913  4914
4914  4913  H      0.503046    5.480952   17.853740     2  4912
4915  4914  H      1.911972    4.850165   18.119037     2  4912
4916  4915  O     -5.948031  -11.404138   12.745792     1  4916  4917
4917  4916  H     -6.082878  -11.500294   11.784892     2  4915
4918  4917  H     -6.775561  -11.433754   13.146572     2  4915
4919  4918  O      2.382044   -5.867359   10.535846     1  4919  4920
4920  4919  H      1.826157   -5.863349   11.337635     2  4918
4921  4920  H      2.666838   -4.996150   10.360820     2  4918
4922  4921  O      7.839733    5.368286   13.699639     1  4922  4923
4923  4922  H      6.922571    5.434107   13.723673     2  4921
4924  4923  H      8.181385    5.300722   14.601651     2  4921
4925  4924  O      3.734535    7.857994   14.853735     1  4925  4926
4926  4925  H      2.781778    7.874156   14.984786     2  4924
4927  4926  H      3.936917    8.732123   14.580521     2  4924
4928  4927  O     -2.719309   -8.426353   11.741718     1  4928  4929
4929  4928  H     -2.373409   -7.581616   11.494151     2  4927
4930  4929  H     -3.662505   -8.220271   11.867082     2  4927
4931  4930  O      0.698285   -2.275859   19.787308     1  4931  4932
4932  4931  H      1.535054   -1.915830   20.193076     2  4930
4933  4932  H      0.337921   -2.939847   20.358448     2  4930
4934  4933  O      4.510244  -11.913971   17.901445     1  4934  4935
4935  4934  H      5.075741  -11.795682   18.638730     2  4933
4936  4935  H      4.686991  -12.801027   17.627064     2  4933
4937  4936  O     -5.173434    6.251872   22.150389     1  4937  4938
4938  4937  H     -5.193289    6.720604   21.288641     2  4936
4939  4938  H     -5.100724    6.937256   22.802406     2  4936
4940  4939  O      1.089514   -8.276333   15.536295     1  4940  4941
4941  4940  H      0.940755   -7.961787   16.431194     2  4939
4942  4941  H      1.712596   -7.735976   15.060492     2  4939
4943  4942  O      4.486067    1.897346    8.088625     1  4943  4944
4944  4943  H      4.569285    1.059553    7.649733     2  4942
4945  4944  H      4.111691    1.661374    8.965384     2  4942
4946  4945  O      4.857898   -1.603782   23.707209     1  4946  4947
4947  4946  H      5.106198   -0.698759   23.340555     2  4945
4948  4947  H      5.777727   -2.026289   23.599416     2  4945
4949  4948  O    -11.794603    0.870460   13.796570     1  4949  4950
4950  4949  H    -12.746586    0.946899   14.071602     2  4948
4951  4950  H    -11.620097    1.455019   13.089395     2  4948
4952  4951  O     -3.376668   -8.357989   27.868445     1  4952  4953
4953  4952  H     -4.319780   -8.618503   28.092934     2  4951
4954  4953  H     -3.292036   -7.533769   28.395996     2  4951
4955  4954  O     -3.382734    3.600669   14.648171     1  4955  4956
4956  4955  H     -3.027835    2.925921   15.224105     2  4954
4957  4956  H     -3.522341    4.345745   15.277997     2  4954
4958  4957  O     -6.302334   -3.839604   18.273489     1  4958  4959
4959  4958  H     -6.929603   -3.681286   19.045374     2  4957
4960  4959  H     -6.418603   -3.037690   17.746969     2  4957
4961  4960  O     -7.871319    8.161625   19.035705     1  4961  4962
4962  4961  H     -8.509983    7.438248   18.863984     2  4960
4963  4962  H     -8.148454    8.433091   19.920570     2  4960
4964  4963  O      3.872402    2.421814   16.342166     1  4964  4965
4965  4964  H      3.275997    3.033231   15.988394     2  4963
4966  4965  H      4.608789    2.190797   15.755350     2  4963
4967  4966  O      0.647254    3.086095    9.919502     1  4967  4968
4968  4967  H     -0.012936    3.291245   10.623809     2  4966
4969  4968  H      0.152713    3.157861    9.073292     2  4966
4970  4969  O    -10.953626   -5.802002   13.191700     1  4970  4971
4971  4970  H    -10.321223   -5.505072   13.822602     2  4969
4972  4971  H    -11.666373   -6.179893   13.733125     2  4969
4973  4972  O    -11.726297    3.813747   12.971899     1  4973  4974
4974  4973  H    -10.989791    3.673493   12.382626     2  4972
4975  4974  H    -12.358743    4.248230   12.370105     2  4972
4976  4975  O      6.404748   -4.589572   12.996484     1  4976  4977
4977  4976  H      6.474281   -3.763713   12.524291     2  4975
4978  4977  H      6.932498   -5.214577   12.511028     2  4975
4979  4978  O     -0.371376   -6.068794    8.111870     1  4979  4980
4980  4979  H     -1.312305   -5.947842    8.277395     2  4978
4981  4980  H      0.005894   -5.210299    8.392000     2  4978
4982  4981  O     -3.075417    0.282135   26.250436     1  4982  4983
4983  4982  H     -3.137866    0.516710   27.134017     2  4981
4984  4983  H     -3.623052   -0.470780   26.184868     2  4981
4985  4984  O     -3.741472    0.037978   20.512117     1  4985  4986
4986  4985  H     -2.893340    0.354375   20.221747     2  4984
4987  4986  H     -3.593394   -0.887976   20.668990     2  4984
4988  4987  O      4.972945   -6.673394    9.980593     1  4988  4989
4989  4988  H      4.047370   -6.409340   10.206701     2  4987
4990  4989  H      5.020845   -7.052641    9.112135     2  4987
4991  4990  O     -7.551367   -7.455269   22.439364     1  4991  4992
4992  4991  H     -8.362287   -8.047893   22.455720     2  4990
4993  4992  H     -7.050984   -7.736025   21.689247     2  4990
4994  4993  O     -4.896051    6.939027   13.674613     1  4994  4995
4995  4994  H     -4.530073    6.305725   14.253792     2  4993
4996  4995  H     -4.967866    6.502844   12.835806     2  4993
4997  4996  O     -9.726218    6.106912   19.108742     1  4997  4998
4998  4997  H    -10.627496    5.843682   18.875510     2  4996
4999  4998  H     -9.880970    6.102361   20.054807     2  4996
5000  4999  O     -7.610819   -4.819019   22.696861     1  5000  5001
5001  5000  H     -6.674594   -4.868687   22.970771     2  4999
5002  5001  H     -7.866953   -5.757345   22.471215     2  4999
5003  5002  O     -5.072410   -0.777750   14.682930     1  5003  5004
5004  5003  H     -4.479962   -1.507350   14.742722     2  5002
5005  5004  H     -4.949277   -0.462687   15.590695     2  5002
5006  5005  O     -5.372183   -8.689239   12.737667     1  5006  5007
5007  5006  H     -6.190842   -8.366334   12.391459     2  5005
5008  5007  H     -5.478941   -9.648929   12.806175     2  5005
5009  5008  O      8.948588    5.422917    8.662251     1  5009  5010
5010  5009  H      9.371227    5.548370    9.544658     2  5008
5011  5010  H      8.054380    5.100888    8.833359     2  5008
5012  5011  O      2.722394    0.285593   17.402295     1  5012  5013
5013  5012  H      3.046425   -0.555682   17.034065     2  5011
5014  5013  H      3.001918    1.041323   16.852491     2  5011
5015  5014  O     -2.627569    2.269114   17.004869     1  5015  5016
5016  5015  H     -2.706114    2.916580   17.728708     2  5014
5017  5016  H     -1.698483    1.918751   17.061360     2  5014
5018  5017  O     -1.355603    4.062609   20.742157     1  5018  5019
5019  5018  H     -1.269991    3.929326   21.692675     2  5017
5020  5019  H     -0.777065    3.413724   20.347203     2  5017
5021  5020  O     -3.949410   -9.829794   15.958787     1  5021  5022
5022  5021  H     -4.092841   -9.926213   14.973866     2  5020
5023  5022  H     -3.647824   -8.939145   16.087157     2  5020
5024  5023  O      4.244642    0.044303   26.422825     1  5024  5025
5025  5024  H      3.556371   -0.655508   26.388060     2  5023
5026  5025  H      4.668105    0.117301   25.566062     2  5023
5027  5026  O     -0.803813   -9.499292   13.506198     1  5027  5028
5028  5027  H     -1.501448   -8.925853   13.162229     2  5026
5029  5028  H     -0.579948   -9.185726   14.365143     2  5026
5030  5029  O     -6.164543    4.129487    6.088201     1  5030  5031
5031  5030  H     -6.170961    4.230893    7.052205     2  5029
5032  5031  H     -5.284783    3.778621    5.801584     2  5029
5033  5032  O     -4.684840    9.398229   23.104502     1  5033  5034
5034  5033  H     -4.814495    8.732562   23.796430     2  5032
5035  5034  H     -5.090479   10.232662   23.311657     2  5032
5036  5035  O      0.869095    7.727164   15.058102     1  5036  5037
5037  5036  H      0.606523    7.939979   15.967050     2  5035
5038  5037  H      0.336338    8.283205   14.453395     2  5035
5039  5038  O     -9.898220    5.659992   12.392204     1  5039  5040
5040  5039  H     -9.602641    4.815172   11.919095     2  5038
5041  5040  H     -9.092418    5.973169   12.854503     2  5038
5042  5041  O     -8.531091   -2.225858   16.974346     1  5042  5043
5043  5042  H     -9.208528   -2.110231   17.662168     2  5041
5044  5043  H     -9.053953   -2.541276   16.232646     2  5041
5045  5044  O      4.637411   -4.965041   15.039003     1  5045  5046
5046  5045  H      5.032737   -4.244241   15.603302     2  5044
5047  5046  H      5.317368   -5.070377   14.322679     2  5044
5048  5047  O      3.211351    5.862852   19.065687     1  5048  5049
5049  5048  H      2.577478    6.270917   19.626037     2  5047
5050  5049  H      3.802793    6.515911   18.604962     2  5047
5051  5050  O      3.873733   -8.885450   13.877554     1  5051  5052
5052  5051  H      4.144519   -9.043552   14.808242     2  5050
5053  5052  H      4.666979   -8.478714   13.502427     2  5050
5054  5053  O      3.369016    0.566647   13.288917     1  5054  5055
5055  5054  H      2.582315    0.810481   13.717810     2  5053
5056  5055  H      4.156290    0.977275   13.775290     2  5053
5057  5056  O     -4.085810   -7.940618   21.688176     1  5057  5058
5058  5057  H     -4.609632   -7.119453   21.541452     2  5056
5059  5058  H     -3.166516   -7.620345   21.699073     2  5056
5060  5059  O     -9.640269   -3.195412  -26.735412     1  5060  5061
5061  5060  H     -9.199438   -2.565897  -27.332333     2  5059
5062  5061  H     -9.003632   -3.284716  -25.988769     2  5059
5063  5062  O      4.318820   -3.690226   18.771167     1  5063  5064
5064  5063  H      4.498951   -3.015126   19.444466     2  5062
5065  5064  H      4.188266   -4.445787   19.347517     2  5062
5066  5065  O     -0.164516    5.242514   14.754176     1  5066  5067
5067  5066  H     -0.858842    5.113394   15.439245     2  5065
5068  5067  H      0.185773    6.177839   14.921568     2  5065
5069  5068  O     -0.253283    0.814122   21.801846     1  5069  5070
5070  5069  H     -0.688973    0.487315   21.030472     2  5068
5071  5070  H     -0.976277    1.315808   22.212197     2  5068
5072  5071  O      4.947281    0.610138   20.081345     1  5072  5073
5073  5072  H      4.602847    1.467585   19.879358     2  5071
5074  5073  H      5.535307    0.445242   19.320544     2  5071
5075  5074  O      6.368486   -6.028108   18.201577     1  5075  5076
5076  5075  H      5.469256   -6.106670   18.643948     2  5074
5077  5076  H      6.959250   -5.524207   18.788395     2  5074
5078  5077  O      0.694750   -0.318736   11.868585     1  5078  5079
5079  5078  H      0.803725    0.317497   12.541200     2  5077
5080  5079  H      0.620679   -1.202194   12.249023     2  5077
5081  5080  O      1.071652    1.698806   14.241688     1  5081  5082
5082  5081  H      0.732660    1.514753   15.160050     2  5080
5083  5082  H      1.364910    2.619319   14.175226     2  5080
5084  5083  O      7.625629    2.858305   17.675344     1  5084  5085
5085  5084  H      8.439312    2.635475   17.233324     2  5083
5086  5085  H      7.300691    3.619853   17.188206     2  5083
5087  5086  O     -2.951617   -1.226963   12.025252     1  5087  5088
5088  5087  H     -3.133853   -1.263662   13.021484     2  5086
5089  5088  H     -3.841630   -1.340187   11.600023     2  5086
5090  5089  O      8.083439    2.547030   13.676445     1  5090  5091
5091  5090  H      9.024481    2.575749   13.996850     2  5089
5092  5091  H      7.803692    3.503523   13.507879     2  5089
5093  5092  O     -6.287763    1.656330   23.296863     1  5093  5094
5094  5093  H     -5.830728    1.903596   24.134158     2  5092
5095  5094  H     -7.143226    2.011040   23.457219     2  5092
5096  5095  O     10.013078    2.649330   16.241912     1  5096  5097
5097  5096  H     10.581353    3.442772   16.292077     2  5095
5098  5097  H     10.472706    1.904579   16.689549     2  5095
5099  5098  O     -4.787230    7.429544   24.795691     1  5099  5100
5100  5099  H     -3.860516    7.147636   24.964992     2  5098
5101  5100  H     -5.333368    6.597083   24.873333     2  5098
5102  5101  O     10.999639    2.949593   13.498188     1  5102  5103
5103  5102  H     11.716110    2.952872   14.216350     2  5101
5104  5103  H     11.258704    3.758601   12.967047     2  5101
5105  5104  O     -4.684651   -3.835739   13.402143     1  5105  5106
5106  5105  H     -3.856010   -4.175069   13.100893     2  5104
5107  5106  H     -5.345907   -3.881212   12.742445     2  5104
5108  5107  O      7.003528    6.497996   24.853147     1  5108  5109
5109  5108  H      7.318356    6.033790   25.634295     2  5107
5110  5109  H      6.559177    5.767752   24.379801     2  5107
5111  5110  O     -1.432793   -4.658679   16.871846     1  5111  5112
5112  5111  H     -1.640342   -4.815299   15.937374     2  5110
5113  5112  H     -2.162090   -4.103728   17.287080     2  5110
5114  5113  O      4.244048   -9.014125   24.086870     1  5114  5115
5115  5114  H      3.488644   -8.435812   24.238012     2  5113
5116  5115  H      4.907049   -8.526889   23.547713     2  5113
5117  5116  O      0.772186   -8.959899    9.732086     1  5117  5118
5118  5117  H      0.930515   -8.093975    9.402141     2  5116
5119  5118  H      1.296230   -9.081877   10.570429     2  5116
5120  5119  O     -1.525820    9.428334   23.445653     1  5120  5121
5121  5120  H     -1.643246   10.340004   23.120985     2  5119
5122  5121  H     -2.181450    9.317725   24.133499     2  5119
5123  5122  O     -2.338684    6.960357   25.949044     1  5123  5124
5124  5123  H     -2.347929    6.262259   26.544735     2  5122
5125  5124  H     -1.491488    6.985055   25.491464     2  5122
5126  5125  O      7.388315   -7.781189   15.371557     1  5126  5127
5127  5126  H      7.794126   -6.966006   15.713833     2  5125
5128  5127  H      7.936620   -8.117567   14.664482     2  5125
5129  5128  O     -7.590084    6.137640   13.692627     1  5129  5130
5130  5129  H     -7.227283    5.270833   13.951298     2  5128
5131  5130  H     -6.786837    6.612224   13.473756     2  5128
5132  5131  O     -4.466892    2.651875   25.795245     1  5132  5133
5133  5132  H     -4.017953    1.846146   26.056697     2  5131
5134  5133  H     -3.990450    2.979179   24.934179     2  5131
5135  5134  O     -5.279926   -9.197751   23.875465     1  5135  5136
5136  5135  H     -4.947615   -8.590269   23.167151     2  5134
5137  5136  H     -4.440800   -9.690768   24.016333     2  5134
5138  5137  O      6.194345   -1.764078   12.617430     1  5138  5139
5139  5138  H      6.322440   -1.724384   13.566042     2  5137
5140  5139  H      6.856889   -1.210512   12.210244     2  5137
5141  5140  O      6.737478    0.293331   18.019427     1  5141  5142
5142  5141  H      6.577565   -0.116393   17.167940     2  5140
5143  5142  H      6.949609    1.238913   17.787514     2  5140
5144  5143  O      1.144281   -2.876372   12.539794     1  5144  5145
5145  5144  H      1.197200   -3.432146   13.383284     2  5143
5146  5145  H      1.982041   -2.537473   12.248089     2  5143
5147  5146  O     12.293377    5.052214   12.006906     1  5147  5148
5148  5147  H     12.975476    5.283205   12.688188     2  5146
5149  5148  H     12.641493    4.610272   11.247019     2  5146
5150  5149  O     -6.544136    2.416063   11.296537     1  5150  5151
5151  5150  H     -6.399619    1.472807   11.546488     2  5149
5152  5151  H     -6.347790    2.900111   12.164148     2  5149
5153  5152  O     -8.905963    4.308956   17.119948     1  5153  5154
5154  5153  H     -9.613677    4.737761   16.588363     2  5152
5155  5154  H     -8.853370    4.892529   17.856435     2  5152
5156  5155  O     -2.979941   -7.207477   16.158016     1  5156  5157
5157  5156  H     -2.198174   -7.109123   16.761838     2  5155
5158  5157  H     -3.565762   -6.448449   16.331812     2  5155
5159  5158  O      1.940406    5.102681   26.499327     1  5159  5160
5160  5159  H      2.346526    5.789082   27.091073     2  5158
5161  5160  H      1.738798    4.393891   27.123150     2  5158
5162  5161  O     -1.343450   -3.203402   11.176871     1  5162  5163
5163  5162  H     -0.504286   -3.020087   11.651245     2  5161
5164  5163  H     -1.923767   -2.390809   11.179008     2  5161
5165  5164  O     -3.338464    4.256345   23.509261     1  5165  5166
5166  5165  H     -2.741263    5.004575   23.180143     2  5164
5167  5166  H     -4.154053    4.505682   23.073333     2  5164
5168  5167  O     -6.000181    3.547609   13.926594     1  5168  5169
5169  5168  H     -5.063102    3.593088   14.051004     2  5167
5170  5169  H     -6.348434    3.018738   14.661507     2  5167
5171  5170  O     -6.678840   -0.236507   12.166082     1  5171  5172
5172  5171  H     -6.002196   -0.662437   11.647041     2  5170
5173  5172  H     -6.309057   -0.252577   13.060121     2  5170
5174  5173  O     -8.959518   -5.536262   15.131761     1  5174  5175
5175  5174  H     -8.744119   -4.550026   15.145847     2  5173
5176  5175  H     -8.134370   -6.013418   15.025452     2  5173
5177  5176  O     -0.927695    2.404072   25.513803     1  5177  5178
5178  5177  H     -0.416864    1.981387   26.241121     2  5176
5179  5178  H     -1.473769    1.654775   25.132029     2  5176
5180  5179  O     -1.693577   -2.628002   24.066498     1  5180  5181
5181  5180  H     -2.637575   -2.535283   23.996795     2  5179
5182  5181  H     -1.599405   -3.231383   24.785294     2  5179
5183  5182  O     -2.407153    6.663084   12.083079     1  5183  5184
5184  5183  H     -2.685748    7.260582   12.834257     2  5182
5185  5184  H     -1.955691    5.852164   12.439407     2  5182
5186  5185  O      2.131273    1.072928   20.171091     1  5186  5187
5187  5186  H      1.481093    0.726701   20.828081     2  5185
5188  5187  H      2.187808    0.484632   19.449675     2  5185
5189  5188  O      3.011803   -3.355398    9.647176     1  5189  5190
5190  5189  H      3.635272   -3.207276    8.889590     2  5188
5191  5190  H      3.328846   -2.657351   10.284395     2  5188
5192  5191  O      5.807321    1.318125   14.743811     1  5192  5193
5193  5192  H      6.090150    0.424005   15.014816     2  5191
5194  5193  H      6.611713    1.784294   14.535264     2  5191
5195  5194  O      0.608521   -2.966084   16.844622     1  5195  5196
5196  5195  H      0.664832   -2.585259   17.788872     2  5194
5197  5196  H     -0.110897   -3.620876   17.033425     2  5194
5198  5197  O     15.303875    3.229720   13.937202     1  5198  5199
5199  5198  H     16.023919    2.703883   14.269998     2  5197
5200  5199  H     15.180221    2.854800   13.089985     2  5197
5201  5200  O      5.850656   -8.316257   11.852395     1  5201  5202
5202  5201  H      5.594406   -7.620225   11.248488     2  5200
5203  5202  H      5.505082   -9.103053   11.325219     2  5200
5204  5203  O      1.313807   -7.416182   22.474116     1  5204  5205
5205  5204  H      2.134330   -7.423314   21.921166     2  5203
5206  5205  H      1.127108   -8.321600   22.495265     2  5203
5207  5206  O      0.221512    7.071083   24.616102     1  5207  5208
5208  5207  H      0.798722    6.772774   25.328751     2  5206
5209  5208  H      0.465881    8.010906   24.533388     2  5206
5210  5209  O     -1.229185   -0.071106   19.560957     1  5210  5211
5211  5210  H     -0.817034   -0.897810   19.503744     2  5209
5212  5211  H     -0.954439    0.584516   18.899097     2  5209
5213  5212  O     -6.337087   -7.125480   18.217516     1  5213  5214
5214  5213  H     -6.957739   -6.468633   18.462169     2  5212
5215  5214  H     -6.267529   -7.182550   17.245969     2  5212
5216  5215  O     -8.615105    2.704081   24.119084     1  5216  5217
5217  5216  H     -8.378073    3.518174   23.634188     2  5215
5218  5217  H     -8.814613    2.909729   25.047765     2  5215
5219  5218  O     10.570325   -7.766103   16.683219     1  5219  5220
5220  5219  H     10.919960   -8.462389   17.265097     2  5218
5221  5220  H      9.626463   -7.959674   16.581010     2  5218
5222  5221  O     -2.977671    9.860516   20.906936     1  5222  5223
5223  5222  H     -2.745017    9.099270   20.437735     2  5221
5224  5223  H     -3.670762    9.529814   21.461734     2  5221
5225  5224  O     -7.143002    4.051108   20.046182     1  5225  5226
5226  5225  H     -6.489996    3.364348   20.163807     2  5224
5227  5226  H     -7.205109    4.456078   20.915360     2  5224
5228  5227  O     -4.869670   -6.193472   24.497156     1  5228  5229
5229  5228  H     -4.083858   -6.712703   24.517906     2  5227
5230  5229  H     -5.482936   -6.715158   24.957977     2  5227
5231  5230  O      5.008366    7.240853   17.558908     1  5231  5232
5232  5231  H      4.430669    7.350885   16.744067     2  5230
5233  5232  H      5.674745    7.983834   17.448497     2  5230
5234  5233  O     -1.691213   -4.539814   14.106816     1  5234  5235
5235  5234  H     -1.019116   -4.073219   13.551453     2  5233
5236  5235  H     -1.935015   -5.339822   13.519664     2  5233
5237  5236  O     -3.212645   -2.850486   17.957676     1  5237  5238
5238  5237  H     -3.495719   -1.954321   17.687904     2  5236
5239  5238  H     -3.580977   -2.848786   18.901377     2  5236
5240  5239  O     -3.884854   -4.189399   27.160196     1  5240  5241
5241  5240  H     -3.233827   -4.428720   26.479985     2  5239
5242  5241  H     -4.680855   -4.658570   26.883194     2  5239
5243  5242  O      1.911949   -7.630888   18.580633     1  5243  5244
5244  5243  H      2.188435   -8.550864   18.694179     2  5242
5245  5244  H      2.617258   -7.311445   18.008351     2  5242
5246  5245  O     -5.622110    6.958655   19.547687     1  5246  5247
5247  5246  H     -6.308642    7.547980   19.389637     2  5245
5248  5247  H     -6.031332    6.077177   19.389805     2  5245
5249  5248  O     -9.152946   -1.790406   12.209313     1  5249  5250
5250  5249  H     -8.341667   -1.227403   11.989106     2  5248
5251  5250  H     -9.813156   -1.336529   11.685977     2  5248
5252  5251  O      7.717574    5.383199   16.537062     1  5252  5253
5253  5252  H      8.522397    5.685043   16.936370     2  5251
5254  5253  H      6.975712    5.876423   16.916004     2  5251
5255  5254  O      9.549925    5.825260   11.605819     1  5255  5256
5256  5255  H      9.070273    5.340414   12.239416     2  5254
5257  5256  H     10.515324    5.901911   11.831408     2  5254
5258  5257  O     -6.501001   -6.781776   15.107332     1  5258  5259
5259  5258  H     -6.042478   -7.587384   14.712117     2  5257
5260  5259  H     -5.811590   -6.088696   15.152435     2  5257
5261  5260  O     -2.456265   -7.401277   25.396345     1  5261  5262
5262  5261  H     -2.352444   -8.174122   24.860903     2  5260
5263  5262  H     -2.732774   -7.793447   26.304288     2  5260
5264  5263  O     -8.569924   -0.792325   20.038394     1  5264  5265
5265  5264  H     -9.212050   -0.288372   20.498748     2  5263
5266  5265  H     -8.098863   -0.112267   19.473454     2  5263
5267  5266  O      5.465427   -9.199558   16.047152     1  5267  5268
5268  5267  H      5.354678   -9.966852   16.603242     2  5266
5269  5268  H      6.437750   -9.003591   16.038368     2  5266
5270  5269  O     -6.865957    0.191845   17.696831     1  5270  5271
5271  5270  H     -7.322795   -0.603716   17.378417     2  5269
5272  5271  H     -7.062311    0.769890   16.977173     2  5269
5273  5272  O      0.201131    4.174891   23.249997     1  5273  5274
5274  5273  H     -0.023217    3.634840   24.032452     2  5272
5275  5274  H      0.332319    5.048053   23.602959     2  5272
5276  5275  O      7.443717   -8.630657   18.312723     1  5276  5277
5277  5276  H      8.042268   -8.439214   19.063565     2  5275
5278  5277  H      6.971847   -7.767074   18.078963     2  5275
5279  5278  O     -7.720955    2.179866   15.765436     1  5279  5280
5280  5279  H     -8.003498    2.840833   16.404927     2  5278
5281  5280  H     -8.487823    1.590261   15.699313     2  5278
5282  5281  O      4.303910   -6.022054   20.071498     1  5282  5283
5283  5282  H      3.875835   -6.899594   20.188045     2  5281
5284  5283  H      4.877687   -6.003991   20.861783     2  5281
5285  5284  O      3.181111    5.381783   12.300423     1  5285  5286
5286  5285  H      2.237781    5.160111   12.337062     2  5284
5287  5286  H      3.270496    6.316676   12.094832     2  5284
5288  5287  O     -6.321780   -0.030333   27.612094     1  5288  5289
5289  5288  H     -5.569683   -0.579520   27.324217     2  5287
5290  5289  H     -6.250085    0.831314   27.214783     2  5287
5291  5290  O      8.741630   -7.631443    9.352845     1  5291  5292
5292  5291  H      8.409789   -6.836976    9.725454     2  5290
5293  5292  H      9.232025   -8.160406   10.013399     2  5290
5294  5293  O      3.447071   -8.520413   21.042699     1  5294  5295
5295  5294  H      2.966251   -9.027574   20.337569     2  5293
5296  5295  H      4.366117   -8.746856   20.950316     2  5293
5297  5296  O      8.608517    1.802437   25.742926     1  5297  5298
5298  5297  H      8.616307    2.245879   26.635753     2  5296
5299  5298  H      7.931749    2.294651   25.164081     2  5296
5300  5299  O      6.937169   -0.464894   27.150071     1  5300  5301
5301  5300  H      7.379258    0.332551   26.736505     2  5299
5302  5301  H      6.102853   -0.117157   27.300548     2  5299
5303  5302  O     -1.598990   -4.589816   25.951704     1  5303  5304
5304  5303  H     -1.555759   -5.446845   25.485618     2  5302
5305  5304  H     -0.982081   -4.655728   26.703146     2  5302
5306  5305  O      6.194194    0.742472   22.495206     1  5306  5307
5307  5306  H      5.822470    0.791263   21.551743     2  5305
5308  5307  H      6.292823    1.637538   22.769768     2  5305
5309  5308  O     -7.856434    4.943157   22.480859     1  5309  5310
5310  5309  H     -8.710618    5.477586   22.427895     2  5308
5311  5310  H     -7.208380    5.634088   22.653104     2  5308
5312  5311  O      0.771771    8.332281   -8.440028     1  5312  5313
5313  5312  H      0.911989    8.804598   -9.241145     2  5311
5314  5313  H      0.957049    7.412640   -8.690483     2  5311
5315  5314  O     -7.956410   19.561064   -8.601718     1  5315  5316
5316  5315  H     -8.367376   19.766971   -9.471102     2  5314
5317  5316  H     -7.136138   19.014251   -8.718428     2  5314
5318  5317  O     -3.700019    8.411937  -20.838628     1  5318  5319
5319  5318  H     -3.711758    9.332650  -21.174725     2  5317
5320  5319  H     -3.356046    8.517852  -19.906897     2  5317
5321  5320  O    -10.642389   13.235701  -15.023166     1  5321  5322
5322  5321  H    -11.213880   13.049974  -15.804796     2  5320
5323  5322  H    -10.675487   12.375562  -14.544727     2  5320
5324  5323  O     -4.021232   12.065932  -24.795456     1  5324  5325
5325  5324  H     -4.866321   12.096716  -25.346107     2  5323
5326  5325  H     -3.525788   12.847793  -25.141631     2  5323
5327  5326  O     -4.403577   14.702262  -16.909712     1  5327  5328
5328  5327  H     -4.892077   14.673304  -17.788388     2  5326
5329  5328  H     -5.051633   14.323374  -16.265308     2  5326
5330  5329  O      0.979580   25.526826  -15.349598     1  5330  5331
5331  5330  H      1.080025   24.822198  -14.672750     2  5329
5332  5331  H      0.101559   25.972234  -15.170772     2  5329
5333  5332  O    -22.921487   -3.306146   14.546044     1  5333  5334
5334  5333  H    -22.979046   -3.568996   15.487549     2  5332
5335  5334  H    -22.867807   -2.362779   14.628611     2  5332
5336  5335  O    -23.118517   -0.525052   14.368611     1  5336  5337
5337  5336  H    -22.266973   -0.345772   14.033599     2  5335
5338  5337  H    -23.697811   -0.263854   13.610946     2  5335
5339  5338  O     -8.512744   19.626834  -11.361461     1  5339  5340
5340  5339  H     -8.023545   19.345129  -12.190769     2  5338
5341  5340  H     -9.092541   20.458850  -11.522542     2  5338
5342  5341  O      8.315713   14.868189  -16.367611     1  5342  5343
5343  5342  H      8.061651   14.050278  -16.723456     2  5341
5344  5343  H      9.045927   14.600045  -15.815835     2  5341
5345  5344  O     -8.085933   14.999330  -12.104405     1  5345  5346
5346  5345  H     -7.862003   14.223708  -11.526706     2  5344
5347  5346  H     -7.248191   15.189023  -12.542209     2  5344
5348  5347  O     14.631477  -16.891124    6.493943     1  5348  5349
5349  5348  H     14.051556  -17.604552    6.268756     2  5347
5350  5349  H     15.066842  -17.069453    7.313671     2  5347
5351  5350  O    -10.218186    8.218244  -17.847112     1  5351  5352
5352  5351  H    -11.035801    7.877662  -18.205739     2  5350
5353  5352  H    -10.309307    8.457817  -16.923113     2  5350
5354  5353  O      1.871976   12.251095  -13.844170     1  5354  5355
5355  5354  H      1.228400   11.956030  -14.480540     2  5353
5356  5355  H      1.611501   11.873663  -13.009226     2  5353
5357  5356  O      0.043948   15.625740  -11.335634     1  5357  5358
5358  5357  H     -0.646048   16.054513  -11.938473     2  5356
5359  5358  H     -0.372144   14.959015  -10.816411     2  5356
5360  5359  O      5.321727   12.253286  -18.005316     1  5360  5361
5361  5360  H      4.848203   11.796102  -17.258285     2  5359
5362  5361  H      6.239424   11.957849  -17.918202     2  5359
5363  5362  O      3.371881    6.681081  -19.380282     1  5363  5364
5364  5363  H      2.442165    6.261782  -19.352986     2  5362
5365  5364  H      3.266800    7.319615  -20.112703     2  5362
5366  5365  O      2.544107   16.238508  -12.290496     1  5366  5367
5367  5366  H      3.216598   16.340839  -11.576114     2  5365
5368  5367  H      1.772091   15.919682  -11.720065     2  5365
5369  5368  O      3.595378   14.358598  -13.876659     1  5369  5370
5370  5369  H      3.239351   15.037522  -13.239409     2  5368
5371  5370  H      2.869664   13.743981  -13.886482     2  5368
5372  5371  O    -19.768294  -11.737415    6.036067     1  5372  5373
5373  5372  H    -19.600746  -11.214502    6.858383     2  5371
5374  5373  H    -20.739993  -11.504241    5.856156     2  5371
5375  5374  O     -5.546564   13.294497  -14.832989     1  5375  5376
5376  5375  H     -6.353901   12.730662  -14.840053     2  5374
5377  5376  H     -4.849913   12.735306  -14.365730     2  5374
5378  5377  O      7.050348   20.393998  -14.090495     1  5378  5379
5379  5378  H      7.963757   20.321801  -13.990341     2  5377
5380  5379  H      6.951736   21.364773  -14.092661     2  5377
5381  5380  O     -3.097192   14.048904  -20.165704     1  5381  5382
5382  5381  H     -4.089649   14.209476  -20.065903     2  5380
5383  5382  H     -2.882747   13.897090  -19.251343     2  5380
5384  5383  O      0.024144   20.248595  -16.859026     1  5384  5385
5385  5384  H     -0.982410   20.361048  -17.067918     2  5383
5386  5385  H      0.444191   20.991552  -17.326663     2  5383
5387  5386  O      6.213475   18.263804  -11.524415     1  5387  5388
5388  5387  H      5.743122   19.097936  -11.363259     2  5386
5389  5388  H      6.481584   18.273048  -12.439139     2  5386
5390  5389  O    -11.415333   14.310702  -12.688441     1  5390  5391
5391  5390  H    -10.879970   14.093709  -13.408602     2  5389
5392  5391  H    -10.963391   13.911448  -11.920688     2  5389
5393  5392  O     -5.236530   15.698290  -13.132321     1  5393  5394
5394  5393  H     -5.360060   15.220592  -13.959322     2  5392
5395  5394  H     -4.678491   16.472939  -13.174662     2  5392
5396  5395  O      0.547950   18.154630  -19.032528     1  5396  5397
5397  5396  H     -0.101521   18.316600  -18.340513     2  5395
5398  5397  H      0.120234   17.782768  -19.817734     2  5395
5399  5398  O      0.452524   11.435623  -16.383835     1  5399  5400
5400  5399  H     -0.160413   12.091436  -16.635185     2  5398
5401  5400  H      0.691558   10.988773  -17.223567     2  5398
5402  5401  O     -0.999224    9.027398  -11.987697     1  5402  5403
5403  5402  H     -0.083572    9.143154  -11.656214     2  5401
5404  5403  H     -0.980618    9.263432  -12.922812     2  5401
5405  5404  O      1.832026   18.885183  -12.023911     1  5405  5406
5406  5405  H      2.239715   18.034451  -12.184147     2  5404
5407  5406  H      0.889625   18.711010  -11.775899     2  5404
5408  5407  O      0.317057   19.450854   -7.139888     1  5408  5409
5409  5408  H     -0.560147   19.684574   -6.795404     2  5407
5410  5409  H      0.653185   18.672144   -6.637888     2  5407
5411  5410  O     -3.903523   18.054156  -13.043855     1  5411  5412
5412  5411  H     -3.782556   18.636033  -12.317471     2  5410
5413  5412  H     -3.806576   18.607562  -13.825568     2  5410
5414  5413  O     -1.039573   14.453263  -15.125196     1  5414  5415
5415  5414  H     -1.146155   15.283551  -14.703089     2  5413
5416  5415  H     -0.285982   14.513775  -15.651901     2  5413
5417  5416  O    -22.638193   -4.772752   10.900932     1  5417  5418
5418  5417  H    -22.535860   -3.882419   11.250061     2  5416
5419  5418  H    -21.854914   -5.152742   11.250178     2  5416
5420  5419  O      2.856104   15.488920  -20.357163     1  5420  5421
5421  5420  H      3.323658   15.635658  -19.540714     2  5419
5422  5421  H      3.469067   14.999671  -20.920501     2  5419
5423  5422  O     -1.476916   16.550446   -8.172070     1  5423  5424
5424  5423  H     -1.764966   17.169291   -7.455122     2  5422
5425  5424  H     -0.915644   15.818107   -7.795839     2  5422
5426  5425  O      5.077733   12.103532  -13.784022     1  5426  5427
5427  5426  H      4.873959   11.887108  -14.727221     2  5425
5428  5427  H      4.175085   12.331079  -13.407524     2  5425
5429  5428  O     -3.653020   22.176842  -12.852815     1  5429  5430
5430  5429  H     -2.837491   22.686960  -13.134794     2  5428
5431  5430  H     -3.338054   21.687414  -12.084154     2  5428
5432  5431  O     10.722756   16.658157  -11.023811     1  5432  5433
5433  5432  H     10.237952   16.739698  -11.845576     2  5431
5434  5433  H     10.070062   16.473260  -10.352285     2  5431
5435  5434  O      4.379028   18.768320  -14.288202     1  5435  5436
5436  5435  H      4.835554   19.441065  -13.770306     2  5434
5437  5436  H      3.915746   19.158794  -14.979911     2  5434
5438  5437  O      7.257395    8.513909  -12.626399     1  5438  5439
5439  5438  H      7.797238    7.691420  -12.341066     2  5437
5440  5439  H      7.850765    8.976246  -13.213400     2  5437
5441  5440  O      4.642662   15.189918  -18.249244     1  5441  5442
5442  5441  H      4.597179   15.396626  -17.302595     2  5440
5443  5442  H      4.784073   14.246255  -18.388658     2  5440
5444  5443  O      0.906694    8.034438  -26.535586     1  5444  5445
5445  5444  H      0.602049    8.854969  -26.844227     2  5443
5446  5445  H      0.115454    7.517503  -26.370885     2  5443
5447  5446  O     -3.468446   11.014778  -16.597918     1  5447  5448
5448  5447  H     -3.372808   11.509354  -15.717898     2  5446
5449  5448  H     -3.300130   11.692156  -17.199890     2  5446
5450  5449  O     18.789917   -9.259394   13.618933     1  5450  5451
5451  5450  H     18.415251   -9.068894   12.713517     2  5449
5452  5451  H     18.780883  -10.186081   13.774458     2  5449
5453  5452  O      1.524253   21.078740  -14.255112     1  5453  5454
5454  5453  H      1.524372   20.163201  -13.889801     2  5452
5455  5454  H      1.067918   20.962685  -15.152583     2  5452
5456  5455  O     -2.174633   10.760765  -27.543862     1  5456  5457
5457  5456  H     -2.000965   10.995917  -26.578372     2  5455
5458  5457  H     -2.621660    9.908576  -27.486696     2  5455
5459  5458  O     -0.640345   10.095003  -20.152941     1  5459  5460
5460  5459  H     -0.960545    9.706666  -20.985425     2  5458
5461  5460  H      0.256960    9.797361  -19.963644     2  5458
5462  5461  O     -1.562177   16.770879  -13.298551     1  5462  5463
5463  5462  H     -1.238432   17.525833  -13.780082     2  5461
5464  5463  H     -2.518018   16.814054  -13.187256     2  5461
5465  5464  O      7.192543    8.945671  -19.491674     1  5465  5466
5466  5465  H      7.120626    9.802869  -19.909509     2  5464
5467  5466  H      6.873293    8.302433  -20.142305     2  5464
5468  5467  O     -1.344953   12.246096  -18.514989     1  5468  5469
5469  5468  H     -1.231925   11.501232  -19.133236     2  5467
5470  5469  H     -0.705661   12.899823  -18.830873     2  5467
5471  5470  O    -16.103891   -8.844097   13.994476     1  5471  5472
5472  5471  H    -16.737430   -9.599649   14.114997     2  5470
5473  5472  H    -16.657587   -8.037673   13.829815     2  5470
5474  5473  O     -4.819712   11.157586   -9.407199     1  5474  5475
5475  5474  H     -5.711239   10.723293   -9.481338     2  5473
5476  5475  H     -5.054867   12.054137   -9.003263     2  5473
5477  5476  O     26.134186  -12.151062   -0.875324     1  5477  5478
5478  5477  H     25.359992  -11.957164   -0.253189     2  5476
5479  5478  H     26.878271  -11.974268   -0.280298     2  5476
5480  5479  O     22.882182   -0.071009   16.025941     1  5480  5481
5481  5480  H     22.610131    0.258359   15.131369     2  5479
5482  5481  H     23.442404   -0.850006   15.815014     2  5479
5483  5482  O     22.014434  -10.083101    9.834196     1  5483  5484
5484  5483  H     22.916673  -10.102299    9.506412     2  5482
5485  5484  H     21.466651   -9.603863    9.191351     2  5482
5486  5485  O     -8.427971   10.186617  -16.623169     1  5486  5487
5487  5486  H     -9.037192    9.802879  -15.945854     2  5485
5488  5487  H     -7.563864    9.697336  -16.608882     2  5485
5489  5488  O     -8.123342   10.931018  -11.912554     1  5489  5490
5490  5489  H     -7.607318   11.100245  -12.702119     2  5488
5491  5490  H     -7.612599   10.320327  -11.385321     2  5488
5492  5491  O     -1.315963    8.929012  -22.708979     1  5492  5493
5493  5492  H     -2.270585    8.893807  -22.991443     2  5491
5494  5493  H     -1.033904    7.983769  -22.872491     2  5491
5495  5494  O      2.280843   17.476341  -16.565585     1  5495  5496
5496  5495  H      2.210515   17.879209  -17.459164     2  5494
5497  5496  H      3.082230   16.984076  -16.445363     2  5494
5498  5497  O      1.934209   17.428007  -22.074434     1  5498  5499
5499  5498  H      1.014976   17.736091  -21.928007     2  5497
5500  5499  H      2.022631   16.588116  -21.546276     2  5497
5501  5500  O      1.943868   23.820442  -13.624042     1  5501  5502
5502  5501  H      2.115271   22.893051  -13.880160     2  5500
5503  5502  H      2.854549   24.195271  -13.598102     2  5500
5504  5503  O     -6.448261    7.247121  -21.022434     1  5504  5505
5505  5504  H     -5.613229    7.586000  -20.630823     2  5503
5506  5505  H     -6.972945    6.974899  -20.282270     2  5503
5507  5506  O      4.663782   16.327387  -10.167399     1  5507  5508
5508  5507  H      5.238587   16.984835  -10.629863     2  5506
5509  5508  H      5.259014   15.570590  -10.153926     2  5506
5510  5509  O     -0.567510   11.856499  -23.918351     1  5510  5511
5511  5510  H     -0.834256   12.253274  -23.107469     2  5509
5512  5511  H     -0.665595   10.897099  -23.840563     2  5509
5513  5512  O     -6.336418   19.730247  -15.443974     1  5513  5514
5514  5513  H     -7.185017   19.426360  -15.020379     2  5512
5515  5514  H     -6.190770   19.315300  -16.267176     2  5512
5516  5515  O    -25.791036  -15.184646   -0.050296     1  5516  5517
5517  5516  H    -25.528625  -14.739417   -0.888177     2  5515
5518  5517  H    -26.476593  -15.864778   -0.378228     2  5515
5519  5518  O     -2.850677   12.530167  -14.268479     1  5519  5520
5520  5519  H     -2.323291   12.003738  -13.673718     2  5518
5521  5520  H     -2.243138   13.249952  -14.585757     2  5518
5522  5521  O    -10.612713   16.427803   -8.452909     1  5522  5523
5523  5522  H    -11.463876   16.727701   -8.845606     2  5521
5524  5523  H    -10.053160   16.191515   -9.208751     2  5521
5525  5524  O      4.344822   16.014582  -15.744063     1  5525  5526
5526  5525  H      4.969020   16.483527  -15.217613     2  5524
5527  5526  H      4.006249   15.402633  -15.093570     2  5524
5528  5527  O    -21.449680   -8.921364   11.316896     1  5528  5529
5529  5528  H    -21.626286   -9.060004   12.251635     2  5527
5530  5529  H    -21.171332   -8.023122   11.261985     2  5527
5531  5530  O      4.529655   10.534749  -22.356893     1  5531  5532
5532  5531  H      4.373468   10.717098  -23.330061     2  5530
5533  5532  H      5.466989   10.704269  -22.226890     2  5530
5534  5533  O    -26.406108  -12.022623    3.254890     1  5534  5535
5535  5534  H    -27.191397  -12.565455    3.381461     2  5533
5536  5535  H    -26.437352  -11.367119    3.962293     2  5533
5537  5536  O     -3.673645   20.270413  -15.101113     1  5537  5538
5538  5537  H     -3.237217   21.084739  -14.818545     2  5536
5539  5538  H     -4.618419   20.373760  -15.010113     2  5536
5540  5539  O     -4.221133   11.482767  -21.973784     1  5540  5541
5541  5540  H     -4.118500   11.736297  -22.940863     2  5539
5542  5541  H     -3.662851   12.013406  -21.411368     2  5539
5543  5542  O      0.778353   14.691622  -17.171177     1  5543  5544
5544  5543  H      1.044503   14.084067  -17.845951     2  5542
5545  5544  H      1.448258   15.427419  -17.147007     2  5542
5546  5545  O      3.700448    8.039285  -16.921393     1  5546  5547
5547  5546  H      3.734213    7.621788  -17.818362     2  5545
5548  5547  H      4.413937    7.653263  -16.368885     2  5545
5549  5548  O      2.063756    7.384068  -23.928267     1  5549  5550
5550  5549  H      2.359617    8.145832  -23.444960     2  5548
5551  5550  H      1.706974    7.708819  -24.752338     2  5548
5552  5551  O     -0.103086   26.236875   -6.467459     1  5552  5553
5553  5552  H     -1.102393   26.376389   -6.541429     2  5551
5554  5553  H      0.286139   27.101231   -6.648388     2  5551
5555  5554  O     21.754534   -5.143646   14.144064     1  5555  5556
5556  5555  H     22.596636   -5.165572   14.648364     2  5554
5557  5556  H     22.044349   -5.026778   13.231659     2  5554
5558  5557  O     -2.614787   11.157369  -11.223680     1  5558  5559
5559  5558  H     -2.257583   10.235947  -11.076629     2  5557
5560  5559  H     -3.399542   11.148858  -10.693400     2  5557
5561  5560  O      4.552521   14.097885  -22.098566     1  5561  5562
5562  5561  H      5.315708   14.655129  -22.175173     2  5560
5563  5562  H      4.259977   13.986821  -23.063295     2  5560
5564  5563  O     -1.063371   15.642802  -23.504286     1  5564  5565
5565  5564  H     -0.973995   14.918198  -22.925880     2  5563
5566  5565  H     -1.746304   15.297240  -24.108621     2  5563
5567  5566  O      0.417800   13.539657  -25.949675     1  5567  5568
5568  5567  H      0.341854   12.726466  -25.390610     2  5566
5569  5568  H      1.123402   13.258308  -26.576015     2  5566
5570  5569  O     -0.397500   22.667994  -12.349698     1  5570  5571
5571  5570  H     -0.363864   21.864651  -12.871137     2  5569
5572  5571  H      0.440826   23.098439  -12.392737     2  5569
5573  5572  O      2.358165   19.710299   -9.177697     1  5573  5574
5574  5573  H      1.630013   19.841219   -8.543585     2  5572
5575  5574  H      1.952036   19.469672  -10.029348     2  5572
5576  5575  O     -0.358140   18.629858  -10.284883     1  5576  5577
5577  5576  H     -0.167021   19.224924   -9.485010     2  5575
5578  5577  H     -0.670584   17.779998   -9.957650     2  5575
5579  5578  O    -11.525296    9.874385  -10.255898     1  5579  5580
5580  5579  H    -11.220102    9.062353   -9.832817     2  5578
5581  5580  H    -12.299970   10.127318   -9.741704     2  5578
5582  5581  O      0.120922   18.331854  -14.786810     1  5582  5583
5583  5582  H      0.807019   17.757496  -15.092934     2  5581
5584  5583  H      0.045095   18.984348  -15.530469     2  5581
5585  5584  O      4.220364   11.123241  -25.143466     1  5585  5586
5586  5585  H      5.144633   11.344577  -25.282099     2  5584
5587  5586  H      3.718492   11.881172  -25.378786     2  5584
5588  5587  O      1.675767    9.622350  -10.816322     1  5588  5589
5589  5588  H      2.577668    9.419179  -11.053769     2  5587
5590  5589  H      1.703420   10.587433  -10.626526     2  5587
5591  5590  O      1.028924   22.067761   -8.545579     1  5591  5592
5592  5591  H      1.886208   21.812570   -8.780769     2  5590
5593  5592  H      1.013039   23.008197   -8.806742     2  5590
5594  5593  O     -2.852072   19.726251  -17.748471     1  5594  5595
5595  5594  H     -3.106214   19.471025  -16.832610     2  5593
5596  5595  H     -2.782943   18.917235  -18.261956     2  5593
5597  5596  O     -5.736676   15.354249  -19.812358     1  5597  5598
5598  5597  H     -6.537292   15.127246  -20.309155     2  5596
5599  5598  H     -5.793730   16.296779  -19.561637     2  5596
5600  5599  O     -2.952697   19.733568  -11.222019     1  5600  5601
5601  5600  H     -2.046622   19.591976  -10.940917     2  5599
5602  5601  H     -3.411477   20.120179  -10.437034     2  5599
5603  5602  O      3.655576   11.254758  -19.709223     1  5603  5604
5604  5603  H      4.448571   11.582411  -19.262564     2  5602
5605  5604  H      3.854784   11.051510  -20.643679     2  5602
5606  5605  O    -10.258782   12.325002  -10.881962     1  5606  5607
5607  5606  H     -9.410659   12.033833  -11.305928     2  5605
5608  5607  H    -10.742612   11.496361  -10.782098     2  5605
5609  5608  O      1.158903   13.433417  -19.444453     1  5609  5610
5610  5609  H      1.589996   14.179904  -19.950691     2  5608
5611  5610  H      1.839886   12.712793  -19.430806     2  5608
5612  5611  O     -6.866932   13.206755  -10.170962     1  5612  5613
5613  5612  H     -7.197859   12.493838  -10.737676     2  5611
5614  5613  H     -5.917077   13.303227  -10.450522     2  5611
5615  5614  O     -2.466034    8.965318  -18.481246     1  5615  5616
5616  5615  H     -1.690419    9.426034  -18.773724     2  5614
5617  5616  H     -2.843375    9.654476  -17.931049     2  5614
5618  5617  O     -7.449395    9.916787  -19.606439     1  5618  5619
5619  5618  H     -8.045281    9.183650  -19.363586     2  5617
5620  5619  H     -7.372376   10.044416  -20.600227     2  5617
5621  5620  O     -4.711244    8.607844  -11.233763     1  5621  5622
5622  5621  H     -5.225467    9.326425  -10.796505     2  5620
5623  5622  H     -4.295476    8.126150  -10.487279     2  5620
5624  5623  O     -8.125787   12.044501  -14.511330     1  5624  5625
5625  5624  H     -8.249056   11.439367  -15.249957     2  5623
5626  5625  H     -8.769946   12.723791  -14.425971     2  5623
5627  5626  O     -0.780663   13.696345  -21.476183     1  5627  5628
5628  5627  H     -0.180971   13.413857  -20.803926     2  5626
5629  5628  H     -1.697626   13.684085  -21.021239     2  5626
5630  5629  O    -20.600556   -4.583507   13.501019     1  5630  5631
5631  5630  H    -19.871634   -4.013526   13.833916     2  5629
5632  5631  H    -21.401938   -4.061389   13.820586     2  5629
5633  5632  O      3.672567   11.048067  -16.229310     1  5633  5634
5634  5633  H      3.632036   10.118304  -16.230124     2  5632
5635  5634  H      2.759465   11.342472  -16.164848     2  5632
5636  5635  O     -5.664379   18.211990   -8.437837     1  5636  5637
5637  5636  H     -5.370643   17.386772   -8.730118     2  5635
5638  5637  H     -4.916288   18.865117   -8.628741     2  5635
5639  5638  O      2.305898    8.330283  -14.378104     1  5639  5640
5640  5639  H      2.685377    8.299996  -15.257066     2  5638
5641  5640  H      3.063347    8.627905  -13.848013     2  5638
5642  5641  O      6.894444   14.439779  -10.643065     1  5642  5643
5643  5642  H      6.975519   13.575768  -10.229485     2  5641
5644  5643  H      6.828384   14.380387  -11.633424     2  5641
5645  5644  O      4.574076    9.282831  -13.012698     1  5645  5646
5646  5645  H      4.625703   10.141634  -13.459988     2  5644
5647  5646  H      5.508380    9.068531  -12.969082     2  5644
5648  5647  O     -4.298135   13.857699  -11.213620     1  5648  5649
5649  5648  H     -3.551277   13.378177  -11.550406     2  5647
5650  5649  H     -4.655773   14.498376  -11.894457     2  5647
5651  5650  O     11.334067   23.694014    1.921815     1  5651  5652
5652  5651  H     10.452070   23.467350    1.665718     2  5650
5653  5652  H     11.152083   24.110031    2.809092     2  5650
5654  5653  O      0.789307    8.469395    5.797242     1  5654  5655
5655  5654  H      1.567538    8.546876    6.297646     2  5653
5656  5655  H      0.385358    7.615685    5.809115     2  5653
5657  5656  O     -7.092836   17.665209    7.912314     1  5657  5658
5658  5657  H     -7.409039   18.542069    7.494536     2  5656
5659  5658  H     -7.279591   17.823236    8.827507     2  5656
5660  5659  O      5.843702   19.272558   -8.005403     1  5660  5661
5661  5660  H      6.680887   19.725761   -8.250658     2  5659
5662  5661  H      5.920866   18.369857   -7.633360     2  5659
5663  5662  O      8.575384   23.948144    0.492140     1  5663  5664
5664  5663  H      7.672662   23.839720    0.239160     2  5662
5665  5664  H      9.010693   23.840795   -0.369621     2  5662
5666  5665  O     -3.295833   12.210277   -3.911691     1  5666  5667
5667  5666  H     -3.315616   12.353263   -2.936141     2  5665
5668  5667  H     -4.031055   12.756587   -4.184757     2  5665
5669  5668  O    -10.045447   14.803809    3.506862     1  5669  5670
5670  5669  H     -9.473897   15.476126    2.970824     2  5668
5671  5670  H     -9.471278   14.068554    3.708697     2  5668
5672  5671  O      3.396390   23.805338   -8.925508     1  5672  5673
5673  5672  H      3.808305   23.201241   -8.265015     2  5671
5674  5673  H      3.729542   24.653752   -8.576983     2  5671
5675  5674  O     -6.036139   16.916608   -3.599164     1  5675  5676
5676  5675  H     -6.299025   17.369036   -4.368138     2  5674
5677  5676  H     -5.753047   17.524876   -2.963323     2  5674
5678  5677  O     -4.637667   11.676694    1.470309     1  5678  5679
5679  5678  H     -5.518608   12.133449    1.529277     2  5677
5680  5679  H     -4.865861   10.723833    1.682038     2  5677
5681  5680  O      9.786018   23.372074    5.896738     1  5681  5682
5682  5681  H      9.895314   23.170523    6.864032     2  5680
5683  5682  H      8.814029   23.243396    5.737115     2  5680
5684  5683  O      0.662837   23.018552   -2.229599     1  5684  5685
5685  5684  H      1.418149   23.041918   -2.877030     2  5683
5686  5685  H      0.308297   22.135320   -2.379768     2  5683
5687  5686  O      0.752151   25.560042    7.935776     1  5687  5688
5688  5687  H      1.612650   25.987921    8.144300     2  5686
5689  5688  H      0.261382   25.480161    8.760816     2  5686
5690  5689  O      6.804884   24.197566    9.495562     1  5690  5691
5691  5690  H      6.801105   23.629967    8.756416     2  5689
5692  5691  H      7.578213   23.904226    9.995253     2  5689
5693  5692  O      1.741026   23.448902    0.597332     1  5693  5694
5694  5693  H      1.570365   23.103447   -0.306094     2  5692
5695  5694  H      2.341341   24.167079    0.441999     2  5692
5696  5695  O    -18.682766   -4.225815  -17.069355     1  5696  5697
5697  5696  H    -18.713805   -4.556661  -16.164357     2  5695
5698  5697  H    -18.362334   -3.355572  -16.909833     2  5695
5699  5698  O     -6.885291   24.491002   -9.725678     1  5699  5700
5700  5699  H     -6.116408   23.947466   -9.755958     2  5698
5701  5700  H     -7.014888   24.977825  -10.526155     2  5698
5702  5701  O     -7.788906   20.113126    6.766254     1  5702  5703
5703  5702  H     -8.582675   20.339425    6.280510     2  5701
5704  5703  H     -7.289565   20.916992    6.826564     2  5701
5705  5704  O      3.667753   19.122503    1.679045     1  5705  5706
5706  5705  H      3.782173   20.047092    1.892402     2  5704
5707  5706  H      2.697916   18.922643    1.763785     2  5704
5708  5707  O     -1.611509   10.055292    8.552676     1  5708  5709
5709  5708  H     -2.357352   10.482124    8.165911     2  5707
5710  5709  H     -1.959749    9.167612    8.766616     2  5707
5711  5710  O      6.496817   26.267951   -3.662881     1  5711  5712
5712  5711  H      5.657555   26.213682   -3.205126     2  5710
5713  5712  H      6.492086   27.019872   -4.268588     2  5710
5714  5713  O     -8.587205    9.979856   -2.825580     1  5714  5715
5715  5714  H     -7.900536   10.050700   -2.165691     2  5713
5716  5715  H     -8.711505    9.016875   -2.814425     2  5713
5717  5716  O     -6.788853   10.515450   -0.807680     1  5717  5718
5718  5717  H     -6.178426    9.803616   -0.874042     2  5716
5719  5718  H     -7.175851   10.488211    0.033981     2  5716
5720  5719  O     -8.291886   16.039460   -2.216613     1  5720  5721
5721  5720  H     -7.543274   16.479130   -2.696549     2  5719
5722  5721  H     -8.981282   15.823545   -2.844611     2  5719
5723  5722  O      5.920508   11.193917   -6.502931     1  5723  5724
5724  5723  H      6.241763   10.293625   -6.407757     2  5722
5725  5724  H      6.509129   11.698591   -5.890652     2  5722
5726  5725  O     -0.088685   13.800068    1.151827     1  5726  5727
5727  5726  H      0.059364   14.216175    0.258472     2  5725
5728  5727  H     -1.002606   13.879260    1.347667     2  5725
5729  5728  O      1.335561   11.983304    6.299185     1  5729  5730
5730  5729  H      1.289534   12.795334    5.763035     2  5728
5731  5730  H      0.654355   11.376345    5.900024     2  5728
5732  5731  O      9.743810   15.007722    0.501349     1  5732  5733
5733  5732  H      9.174853   15.829880    0.447032     2  5731
5734  5733  H      9.113898   14.320575    0.402454     2  5731
5735  5734  O      0.013766   24.193147    5.400237     1  5735  5736
5736  5735  H      0.525800   24.192593    6.192156     2  5734
5737  5736  H      0.130288   25.051296    4.993160     2  5734
5738  5737  O      5.062523   26.523861    6.624529     1  5738  5739
5739  5738  H      5.008042   25.587274    6.622931     2  5737
5740  5739  H      6.036865   26.623636    6.818945     2  5737
5741  5740  O      9.903497   26.482603   -3.566755     1  5741  5742
5742  5741  H      9.399168   25.825644   -3.145185     2  5740
5743  5742  H      9.397109   26.898149   -4.289914     2  5740
5744  5743  O    -10.702049   20.823778    5.844532     1  5744  5745
5745  5744  H    -11.191961   21.043009    6.704770     2  5743
5746  5745  H    -11.111036   19.992810    5.659230     2  5743
5747  5746  O      4.191600   20.282224  -11.287757     1  5747  5748
5748  5747  H      3.726988   20.012810  -12.072437     2  5746
5749  5748  H      3.512386   20.250607  -10.624827     2  5746
5750  5749  O      4.485609    9.693452    2.012408     1  5750  5751
5751  5750  H      3.595193    9.609864    2.348894     2  5749
5752  5751  H      4.546295   10.602097    1.632999     2  5749
5753  5752  O     -7.675018   21.865329   -7.189522     1  5753  5754
5754  5753  H     -7.780351   22.617188   -7.752159     2  5752
5755  5754  H     -7.883948   21.044932   -7.652125     2  5752
5756  5755  O      3.822931   14.177953    7.693236     1  5756  5757
5757  5756  H      3.468201   14.745830    8.465783     2  5755
5758  5757  H      3.687941   13.271231    7.827887     2  5755
5759  5758  O      6.311426   16.512938    7.380215     1  5759  5760
5760  5759  H      7.060811   16.279151    6.736054     2  5758
5761  5760  H      5.998881   15.626441    7.682877     2  5758
5762  5761  O      8.357021   13.156552   -0.962962     1  5762  5763
5763  5762  H      8.123183   12.258013   -0.691010     2  5761
5764  5763  H      9.132899   13.162418   -1.459498     2  5761
5765  5764  O     -3.313448   15.069755   -1.039645     1  5765  5766
5766  5765  H     -2.681417   15.396997   -1.666276     2  5764
5767  5766  H     -3.055977   14.166710   -0.861806     2  5764
5768  5767  O    -12.991452   19.426279    0.081581     1  5768  5769
5769  5768  H    -12.085525   19.602607    0.333566     2  5767
5770  5769  H    -13.410985   20.269265   -0.065320     2  5767
5771  5770  O      5.983050   22.477331    7.299092     1  5771  5772
5772  5771  H      5.068277   22.849591    7.174184     2  5770
5773  5772  H      6.403085   22.766505    6.435187     2  5770
5774  5773  O     -6.066213   13.541306   -4.517087     1  5774  5775
5775  5774  H     -6.386593   13.296534   -3.669616     2  5773
5776  5775  H     -6.598966   14.009471   -5.133736     2  5773
5777  5776  O     -4.529038   20.384757   -2.027299     1  5777  5778
5778  5777  H     -4.447427   19.567257   -1.509166     2  5776
5779  5778  H     -5.373964   20.738550   -1.967328     2  5776
5780  5779  O     -1.517819   21.098085    2.500754     1  5780  5781
5781  5780  H     -1.317363   21.916979    2.111097     2  5779
5782  5781  H     -1.694385   21.288333    3.449565     2  5779
5783  5782  O     -1.746708   23.901388   -1.441147     1  5783  5784
5784  5783  H     -0.981926   23.470596   -1.763708     2  5782
5785  5784  H     -1.492510   23.877847   -0.438917     2  5782
5786  5785  O     -9.341709   18.294607   -1.219067     1  5786  5787
5787  5786  H     -9.609306   18.152135   -0.318793     2  5785
5788  5787  H     -9.061166   17.425111   -1.499805     2  5785
5789  5788  O     -4.056801   20.805082    1.283474     1  5789  5790
5790  5789  H     -3.106331   20.614099    1.459216     2  5788
5791  5790  H     -4.388158   20.052412    0.818990     2  5788
5792  5791  O      4.580254   14.018628   -6.421206     1  5792  5793
5793  5792  H      4.427936   13.739032   -5.468244     2  5791
5794  5793  H      4.749021   14.936197   -6.320819     2  5791
5795  5794  O      9.809917   18.081899    3.784650     1  5795  5796
5796  5795  H     10.385172   17.410033    3.334078     2  5794
5797  5796  H      9.075682   18.361166    3.230964     2  5794
5798  5797  O      4.797174   18.841577    7.707078     1  5798  5799
5799  5798  H      5.180193   18.000026    7.555681     2  5797
5800  5799  H      5.480517   19.469965    7.487257     2  5797
5801  5800  O     -9.243328   16.035499    8.228329     1  5801  5802
5802  5801  H     -9.643485   16.215448    7.347263     2  5800
5803  5802  H     -8.442312   16.585582    8.160271     2  5800
5804  5803  O     -4.166932   12.883252    7.228965     1  5804  5805
5805  5804  H     -3.775052   13.108220    6.400016     2  5803
5806  5805  H     -3.881837   13.591741    7.809500     2  5803
5807  5806  O     -1.181495   19.489294   -1.097346     1  5807  5808
5808  5807  H     -1.433773   18.556366   -0.878440     2  5806
5809  5808  H     -1.527349   19.644663   -1.954730     2  5806
5810  5809  O      6.642111   14.749209    0.933555     1  5810  5811
5811  5810  H      6.437259   15.080287    0.089250     2  5809
5812  5811  H      6.290444   15.356223    1.608065     2  5809
5813  5812  O      1.413788   13.807485    3.923176     1  5813  5814
5814  5813  H      2.051585   13.073683    3.794649     2  5812
5815  5814  H      0.812828   13.819222    3.164562     2  5812
5816  5815  O      1.876387   16.695661    5.112957     1  5816  5817
5817  5816  H      2.776156   16.385708    4.793383     2  5815
5818  5817  H      1.198765   16.100494    4.804180     2  5815
5819  5818  O     -0.229050   18.472183   10.800047     1  5819  5820
5820  5819  H     -1.084810   18.885254   11.062148     2  5818
5821  5820  H      0.081839   18.927105   10.002666     2  5818
5822  5821  O     -3.957778   15.833099   -9.008383     1  5822  5823
5823  5822  H     -3.003567   16.079697   -8.851853     2  5821
5824  5823  H     -3.999213   15.526799   -9.909220     2  5821
5825  5824  O      3.204297   20.357472   -3.588396     1  5825  5826
5826  5825  H      2.795109   20.199525   -2.722217     2  5824
5827  5826  H      3.644757   19.499937   -3.730648     2  5824
5828  5827  O     -6.318826   15.382323    5.891139     1  5828  5829
5829  5828  H     -5.597113   14.976237    6.375332     2  5827
5830  5829  H     -6.511701   16.175159    6.339535     2  5827
5831  5830  O      4.938757   23.170740  -11.117748     1  5831  5832
5832  5831  H      4.492108   23.310570  -10.253752     2  5830
5833  5832  H      4.677382   22.263633  -11.352595     2  5830
5834  5833  O     -5.671304   23.834941   -3.306582     1  5834  5835
5835  5834  H     -6.606258   23.819420   -3.178956     2  5833
5836  5835  H     -5.279174   23.693251   -2.424578     2  5833
5837  5836  O     -2.160735   17.184099    0.499892     1  5837  5838
5838  5837  H     -2.466155   16.323200    0.177680     2  5836
5839  5838  H     -1.503697   16.948675    1.173142     2  5836
5840  5839  O     -5.976652   22.285540    2.886442     1  5840  5841
5841  5840  H     -5.256693   21.974165    2.370978     2  5839
5842  5841  H     -5.828109   21.744021    3.687592     2  5839
5843  5842  O      2.596352   15.737276    0.269585     1  5843  5844
5844  5843  H      2.666510   14.962462   -0.314886     2  5842
5845  5844  H      3.001984   15.410259    1.016248     2  5842
5846  5845  O      0.210456   14.232555    8.931006     1  5846  5847
5847  5846  H      0.646506   13.431231    8.724083     2  5845
5848  5847  H      0.592561   14.430962    9.773993     2  5845
5849  5848  O     -7.514994   13.752067   -7.018318     1  5849  5850
5850  5849  H     -7.576004   13.332563   -7.843962     2  5848
5851  5850  H     -8.361218   14.208129   -6.983547     2  5848
5852  5851  O      3.051190   21.989175    2.294666     1  5852  5853
5853  5852  H      2.489373   22.398661    1.589774     2  5851
5854  5853  H      2.467461   21.930641    3.139096     2  5851
5855  5854  O      2.356929   21.111344   -6.086016     1  5855  5856
5856  5855  H      1.652532   20.633863   -6.499746     2  5854
5857  5856  H      2.458305   20.722897   -5.237363     2  5854
5858  5857  O     -5.265717  -27.107962    6.238865     1  5858  5859
5859  5858  H     -4.601269  -27.504303    5.685303     2  5857
5860  5859  H     -4.788521  -26.375592    6.644917     2  5857
5861  5860  O      4.749158   15.554523    5.171321     1  5861  5862
5862  5861  H      4.288408   15.064321    5.890773     2  5860
5863  5862  H      5.419678   16.093758    5.597012     2  5860
5864  5863  O     -6.123259   19.475643    4.273210     1  5864  5865
5865  5864  H     -5.403735   18.842729    4.558010     2  5863
5866  5865  H     -6.598610   19.694200    5.097252     2  5863
5867  5866  O      7.104305   19.981118    5.046251     1  5867  5868
5868  5867  H      7.172496   19.441330    4.177041     2  5866
5869  5868  H      7.964258   20.049146    5.354856     2  5866
5870  5869  O      1.502672   17.369540    8.251970     1  5870  5871
5871  5870  H      1.542823   16.989555    7.339447     2  5869
5872  5871  H      1.846259   16.715413    8.845653     2  5869
5873  5872  O      5.614605    6.315350    7.422476     1  5873  5874
5874  5873  H      4.659900    6.247751    7.370357     2  5872
5875  5874  H      5.818549    6.988298    8.115586     2  5872
5876  5875  O      3.485684   15.099839    2.768074     1  5876  5877
5877  5876  H      4.192714   15.636927    3.133562     2  5875
5878  5877  H      2.912501   14.974691    3.442235     2  5875
5879  5878  O     -1.335525   12.311874   -7.563316     1  5879  5880
5880  5879  H     -1.398513   11.437935   -7.144668     2  5878
5881  5880  H     -2.250954   12.645448   -7.371028     2  5878
5882  5881  O     -1.693674    9.042449    1.059514     1  5882  5883
5883  5882  H     -1.144226    9.704295    1.516741     2  5881
5884  5883  H     -2.586799    9.214037    1.351214     2  5881
5885  5884  O      6.684661   25.214341    3.340875     1  5885  5886
5886  5885  H      6.721517   25.853059    4.006920     2  5884
5887  5886  H      6.973616   24.380452    3.707381     2  5884
5888  5887  O     -4.960203   15.427355    3.403735     1  5888  5889
5889  5888  H     -4.510294   16.172586    3.870700     2  5887
5890  5889  H     -5.633103   15.101506    3.989234     2  5887
5891  5890  O     -0.596693   18.699608    6.064486     1  5891  5892
5892  5891  H     -0.853507   18.154782    5.273898     2  5890
5893  5892  H      0.376040   18.727085    6.089553     2  5890
5894  5893  O     -6.996723    9.543332   -9.838374     1  5894  5895
5895  5894  H     -7.786830    9.887549   -9.385519     2  5893
5896  5895  H     -7.183607    8.635295   -9.732853     2  5893
5897  5896  O      1.134446   17.066514   -6.081192     1  5897  5898
5898  5897  H      0.467620   16.412355   -6.020533     2  5896
5899  5898  H      1.712262   16.819945   -6.835580     2  5896
5900  5899  O    -21.061029   -1.387703   18.261588     1  5900  5901
5901  5900  H    -20.616025   -2.205896   17.949845     2  5899
5902  5901  H    -21.885749   -1.711083   18.658557     2  5899
5903  5902  O      3.782329   26.646022   -2.781631     1  5903  5904
5904  5903  H      3.536054   27.607778   -2.516788     2  5902
5905  5904  H      2.922626   26.253439   -2.732995     2  5902
5906  5905  O     -2.829196   10.158283   -5.831044     1  5906  5907
5907  5906  H     -2.794958    9.252009   -6.167477     2  5905
5908  5907  H     -3.750217   10.372907   -5.631832     2  5905
5909  5908  O     -2.897601   13.765884    2.441873     1  5909  5910
5910  5909  H     -3.676890   14.315891    2.706926     2  5908
5911  5910  H     -3.274144   12.965979    2.125711     2  5908
5912  5911  O      7.994758   10.534926    0.020479     1  5912  5913
5913  5912  H      8.499557   10.567835    0.833421     2  5911
5914  5913  H      8.105312    9.687901   -0.413855     2  5911
5915  5914  O     -6.735538   24.907095    2.773403     1  5915  5916
5916  5915  H     -6.165674   24.151290    2.943685     2  5914
5917  5916  H     -6.191469   25.715282    3.116874     2  5914
5918  5917  O     -0.535867   11.523937   -4.532963     1  5918  5919
5919  5918  H     -1.465817   11.665480   -4.458563     2  5917
5920  5919  H     -0.253660   10.966889   -5.301776     2  5917
5921  5920  O      5.268156   16.560045   -6.177170     1  5921  5922
5922  5921  H      4.643526   16.746918   -6.830115     2  5920
5923  5922  H      5.003578   17.043946   -5.355615     2  5920
5924  5923  O      8.377139   16.092601    5.562483     1  5924  5925
5925  5924  H      8.764743   16.800526    5.042157     2  5923
5926  5925  H      8.756798   15.236567    5.237585     2  5923
5927  5926  O     -7.451556   13.254961   -2.192177     1  5927  5928
5928  5927  H     -7.374167   12.638285   -1.401937     2  5926
5929  5928  H     -7.687995   14.075741   -1.835632     2  5926
5930  5929  O     -5.124096    5.675317   11.354864     1  5930  5931
5931  5930  H     -4.319810    5.105362   11.340441     2  5929
5932  5931  H     -5.400931    6.031801   10.473137     2  5929
5933  5932  O     -2.878084   24.886910   -3.807239     1  5933  5934
5934  5933  H     -3.883976   24.667280   -3.807787     2  5932
5935  5934  H     -2.579912   24.612093   -2.941004     2  5932
5936  5935  O     -8.441046   16.525767    1.937478     1  5936  5937
5937  5936  H     -7.765389   17.206017    1.882786     2  5935
5938  5937  H     -8.057693   15.936857    1.213375     2  5935
5939  5938  O     -5.355439   25.496905    0.087384     1  5939  5940
5940  5939  H     -5.061338   24.569720   -0.016069     2  5938
5941  5940  H     -6.265695   25.637587   -0.026927     2  5938
5942  5941  O      4.593718   17.502048   -0.967559     1  5942  5943
5943  5942  H      4.509888   18.381059   -0.557714     2  5941
5944  5943  H      3.989883   16.904449   -0.509941     2  5941
5945  5944  O     -1.917749   21.372479   -7.520863     1  5945  5946
5946  5945  H     -1.128621   21.521615   -8.123520     2  5944
5947  5946  H     -1.972676   22.238962   -7.091312     2  5944
5948  5947  O     -8.749509   10.624089   -7.155578     1  5948  5949
5949  5948  H     -9.579096   11.070100   -7.213872     2  5947
5950  5949  H     -8.315747   11.270594   -6.550643     2  5947
5951  5950  O     -8.672708   19.729603   -4.685760     1  5951  5952
5952  5951  H     -7.818725   19.497768   -4.931500     2  5950
5953  5952  H     -9.273641   19.529890   -5.457347     2  5950
5954  5953  O      8.784724   15.860090   -9.449475     1  5954  5955
5955  5954  H      8.069734   15.420878   -9.903490     2  5953
5956  5955  H      8.454222   15.792191   -8.521677     2  5953
5957  5956  O     -1.120395   13.226692  -10.417054     1  5957  5958
5958  5957  H     -1.107717   13.057547   -9.422509     2  5956
5959  5958  H     -1.664739   12.561926  -10.828949     2  5956
5960  5959  O     -3.147586   24.027484    9.350362     1  5960  5961
5961  5960  H     -3.597400   23.998789   10.227791     2  5959
5962  5961  H     -2.245230   24.208058    9.547467     2  5959
5963  5962  O     -4.768731   18.374828   -0.147913     1  5963  5964
5964  5963  H     -5.581150   18.282912    0.443081     2  5962
5965  5964  H     -4.086375   17.713098    0.133124     2  5962
5966  5965  O      1.692668   12.495773  -10.606086     1  5966  5967
5967  5966  H      2.150055   12.670287   -9.709362     2  5965
5968  5967  H      0.745113   12.715359  -10.494433     2  5965
5969  5968  O     -8.224245    8.797878    5.694526     1  5969  5970
5970  5969  H     -8.438671    9.185796    6.554384     2  5968
5971  5970  H     -8.963114    8.186549    5.529698     2  5968
5972  5971  O      1.161273   25.766966   -3.567263     1  5972  5973
5973  5972  H      0.708100   25.041152   -3.140748     2  5971
5974  5973  H      0.862229   25.825424   -4.499377     2  5971
5975  5974  O    -12.396899   22.647788    1.668481     1  5975  5976
5976  5975  H    -12.424391   22.608311    0.681789     2  5974
5977  5976  H    -13.361055   22.679282    1.894468     2  5974
5978  5977  O     -6.866570   12.441783    6.899889     1  5978  5979
5979  5978  H     -6.883634   11.496444    6.844876     2  5977
5980  5979  H     -5.960750   12.734902    6.824862     2  5977
5981  5980  O     -2.343938   18.212132   -5.572474     1  5981  5982
5982  5981  H     -2.625451   19.095502   -5.395513     2  5980
5983  5982  H     -1.534818   18.106988   -5.005613     2  5980
5984  5983  O     -4.802768    8.956408   -7.357523     1  5984  5985
5985  5984  H     -5.206420    9.763048   -7.417899     2  5983
5986  5985  H     -4.606864    8.633611   -8.268812     2  5983
5987  5986  O      4.596547   21.722105   -7.536273     1  5987  5988
5988  5987  H      5.006801   20.865617   -7.812889     2  5986
5989  5988  H      3.741170   21.459711   -7.186685     2  5986
5990  5989  O      0.802604   19.755629    2.529043     1  5990  5991
5991  5990  H      1.008294   20.120216    3.433028     2  5989
5992  5991  H     -0.054704   20.071014    2.198016     2  5989
5993  5992  O      1.584658   19.882877   -1.164382     1  5993  5994
5994  5993  H      1.888692   20.206556   -0.334440     2  5992
5995  5994  H      0.710733   19.521073   -1.005424     2  5992
5996  5995  O      4.078830   24.314915    3.552099     1  5996  5997
5997  5996  H      3.802323   23.551424    2.983451     2  5995
5998  5997  H      4.857086   24.703022    3.097971     2  5995
5999  5998  O     -4.557239    8.909396   -1.016527     1  5999  6000
6000  5999  H     -4.104898    9.376013   -1.680125     2  5998
6001  6000  H     -5.006574    8.181755   -1.437790     2  5998
6002  6001  O      5.687066   17.488024   10.631543     1  6002  6003
6003  6002  H      5.621319   18.086124    9.870601     2  6001
6004  6003  H      6.344175   16.825847   10.345381     2  6001
6005  6004  O      0.049422   14.456710   -6.517744     1  6005  6006
6006  6005  H      0.296624   14.214182   -5.640022     2  6004
6007  6006  H     -0.584071   13.670983   -6.699367     2  6004
6008  6007  O     -2.067386   23.662178  -10.179487     1  6008  6009
6009  6008  H     -1.853090   23.523062  -11.122209     2  6007
6010  6009  H     -1.302997   24.038552   -9.745303     2  6007
6011  6010  O     -2.692819   24.254835    3.663041     1  6011  6012
6012  6011  H     -2.048893   24.094396    4.411151     2  6010
6013  6012  H     -3.269975   24.968132    3.966158     2  6010
6014  6013  O     -1.091153   23.684795    1.326334     1  6014  6015
6015  6014  H     -0.173696   23.605938    1.584679     2  6013
6016  6015  H     -1.630588   24.139207    1.984986     2  6013
6017  6016  O     18.794056   -5.884837   14.512545     1  6017  6018
6018  6017  H     18.621228   -6.258774   13.627147     2  6016
6019  6018  H     19.760458   -5.710507   14.453318     2  6016
6020  6019  O    -10.599983   18.899615    1.733884     1  6020  6021
6021  6020  H    -10.260429   19.692819    2.172029     2  6019
6022  6021  H     -9.960468   18.194851    1.970661     2  6019
6023  6022  O      4.038657   17.820318   -3.709771     1  6023  6024
6024  6023  H      4.416612   17.798230   -2.824574     2  6022
6025  6024  H      3.222405   17.267678   -3.748359     2  6022
6026  6025  O      3.970484   25.719861   -0.034782     1  6026  6027
6027  6026  H      3.549559   26.556845    0.313855     2  6025
6028  6027  H      4.120132   25.914489   -1.027401     2  6025
6029  6028  O      2.384707   12.752684   -7.610077     1  6029  6030
6030  6029  H      3.167085   13.294040   -7.239553     2  6028
6031  6030  H      1.619778   13.337540   -7.566383     2  6028
6032  6031  O      5.151944   23.013000   -1.795542     1  6032  6033
6033  6032  H      4.283141   23.232827   -2.185932     2  6031
6034  6033  H      5.748118   23.413270   -2.473382     2  6031
6035  6034  O     -4.612588    8.997689    2.226025     1  6035  6036
6036  6035  H     -4.372551    8.761441    3.138554     2  6034
6037  6036  H     -4.941979    8.156354    1.874378     2  6034
6038  6037  O    -10.969239   16.247884    5.708600     1  6038  6039
6039  6038  H    -11.207540   16.985872    5.144064     2  6037
6040  6039  H    -10.603762   15.655942    5.000186     2  6037
6041  6040  O      5.768916   17.098480    1.982152     1  6041  6042
6042  6041  H      4.985112   17.547447    1.518110     2  6040
6043  6042  H      5.839843   17.696446    2.738950     2  6040
6044  6043  O     -4.232302   23.124972   -0.587665     1  6044  6045
6045  6044  H     -4.170499   22.210523   -0.261514     2  6043
6046  6045  H     -3.358191   23.216828   -0.948254     2  6043
6047  6046  O      4.349372   18.153588    4.339009     1  6047  6048
6048  6047  H      4.081809   18.721193    3.596113     2  6046
6049  6048  H      5.042998   18.618967    4.780966     2  6046
6050  6049  O      7.844933   19.341681    2.424808     1  6050  6051
6051  6050  H      7.806360   20.332837    2.416809     2  6049
6052  6051  H      7.884059   19.065232    1.474866     2  6049
6053  6052  O      3.507328   13.256020   -0.651919     1  6053  6054
6054  6053  H      3.122462   12.657823   -1.212485     2  6052
6055  6054  H      4.333828   12.731953   -0.377064     2  6052
6056  6055  O     -3.382090   20.632230   -4.620294     1  6056  6057
6057  6056  H     -3.673409   21.489873   -4.995877     2  6055
6058  6057  H     -3.716820   20.506960   -3.653385     2  6055
6059  6058  O      5.949628   20.304165   -2.207300     1  6059  6060
6060  6059  H      5.150204   20.354954   -2.804109     2  6058
6061  6060  H      5.767274   21.077184   -1.638823     2  6058
6062  6061  O      8.828486   21.915177    2.102684     1  6062  6063
6063  6062  H      9.691422   21.602801    1.837321     2  6061
6064  6063  H      8.680327   22.501692    1.361758     2  6061
6065  6064  O     -0.333569   17.996646   -3.914250     1  6065  6066
6066  6065  H     -0.089259   18.954455   -3.843603     2  6064
6067  6066  H      0.556939   17.547689   -4.029369     2  6064
6068  6067  O     10.043576   18.525411   -6.971413     1  6068  6069
6069  6068  H     10.465138   19.154764   -6.367191     2  6067
6070  6069  H     10.618760   17.712896   -6.900227     2  6067
6071  6070  O     -4.027761   17.478238    5.064589     1  6071  6072
6072  6071  H     -3.146380   17.416945    4.664438     2  6070
6073  6072  H     -3.996443   17.163998    5.965788     2  6070
6074  6073  O      6.867682   15.294697   -2.183536     1  6074  6075
6075  6074  H      7.433562   14.539423   -1.941682     2  6073
6076  6075  H      6.267651   14.945152   -2.845451     2  6073
6077  6076  O     -6.625963   25.077761    5.829106     1  6077  6078
6078  6077  H     -5.639733   25.159064    5.960802     2  6076
6079  6078  H     -6.692376   24.669547    4.959586     2  6076
6080  6079  O     10.785245   19.156347   -9.743992     1  6080  6081
6081  6080  H     10.648283   18.942034   -8.814838     2  6079
6082  6081  H     11.278975   18.393700  -10.110599     2  6079
6083  6082  O     -5.815270   11.383260   -6.375627     1  6083  6084
6084  6083  H     -5.825932   11.943226   -5.613579     2  6082
6085  6084  H     -5.349960   11.954485   -7.033499     2  6082
6086  6085  O     11.118279   25.233369    4.222893     1  6086  6087
6087  6086  H     10.692977   26.075383    4.137988     2  6085
6088  6087  H     10.501710   24.843046    4.870235     2  6085
6089  6088  O      0.564495   14.517597   -1.542762     1  6089  6090
6090  6089  H      0.749691   13.751279   -2.097874     2  6088
6091  6090  H     -0.229484   14.813144   -1.948932     2  6088
6092  6091  O      5.319182   13.089191    3.526599     1  6092  6093
6093  6092  H      4.858876   12.476254    4.105850     2  6091
6094  6093  H      5.147919   14.019881    3.773751     2  6091
6095  6094  O      0.906491    9.429428   -5.897230     1  6095  6096
6096  6095  H      0.902016    9.072103   -6.789770     2  6094
6097  6096  H      1.798938    9.277746   -5.440876     2  6094
6098  6097  O     -1.611721   21.476053    5.260313     1  6098  6099
6099  6098  H     -1.405793   20.606761    5.585623     2  6097
6100  6099  H     -0.990427   22.059344    5.686514     2  6097
6101  6100  O     -1.153629   25.685858   10.296737     1  6101  6102
6102  6101  H     -1.722110   26.433821   10.195589     2  6100
6103  6102  H     -1.269676   25.418674   11.206286     2  6100
6104  6103  O      4.516811   13.906784   -3.609287     1  6104  6105
6105  6104  H      5.330096   13.357226   -3.702450     2  6103
6106  6105  H      4.117304   13.709187   -2.763643     2  6103
6107  6106  O     -4.569860   23.277086   -8.763991     1  6107  6108
6108  6107  H     -4.679106   23.411592   -7.783617     2  6106
6109  6108  H     -3.629912   23.344911   -9.058451     2  6106
6110  6109  O     -6.559326   22.607263    7.475842     1  6110  6111
6111  6110  H     -6.832740   23.439172    7.080703     2  6109
6112  6111  H     -5.573143   22.602126    7.284544     2  6109
6113  6112  O     -0.599160   10.633773    4.809872     1  6113  6114
6114  6113  H     -0.420846   10.893801    3.887003     2  6112
6115  6114  H     -0.312958    9.720886    4.915933     2  6112
6116  6115  O      1.720953   16.245418   -3.510544     1  6116  6117
6117  6116  H      1.694726   15.348415   -3.897990     2  6115
6118  6117  H      1.822399   15.983274   -2.536556     2  6115
6119  6118  O      8.238295   17.695793    0.001634     1  6119  6120
6120  6119  H      7.398517   17.177806   -0.050201     2  6118
6121  6120  H      8.496083   17.937998   -0.861529     2  6118
6122  6121  O      1.323357   13.456578   -4.166494     1  6122  6123
6123  6122  H      0.664326   12.792400   -4.273854     2  6121
6124  6123  H      2.112155   13.137863   -4.640097     2  6121
6125  6124  O      9.069784   23.814546   -2.102088     1  6125  6126
6126  6125  H      8.330000   23.589564   -2.732176     2  6124
6127  6126  H      9.921890   23.452275   -2.439273     2  6124
6128  6127  O     -4.184594   20.493291   -8.935419     1  6128  6129
6129  6128  H     -3.407550   20.747371   -8.428035     2  6127
6130  6129  H     -4.586603   21.393654   -8.990962     2  6127
6131  6130  O     -7.555842   20.486658   -1.018370     1  6131  6132
6132  6131  H     -7.931033   19.618016   -1.205961     2  6130
6133  6132  H     -7.599264   20.723452   -0.069805     2  6130
6134  6133  O     -3.657332   15.383089   -4.923737     1  6134  6135
6135  6134  H     -4.505154   15.638467   -4.621290     2  6133
6136  6135  H     -3.342273   16.217008   -5.330798     2  6133
6137  6136  O      7.412210   21.088735    9.340620     1  6137  6138
6138  6137  H      6.714292   21.560923    8.887021     2  6136
6139  6138  H      7.106927   20.937534   10.236072     2  6136
6140  6139  O     -3.610449   13.670952   -7.087513     1  6140  6141
6141  6140  H     -3.886645   14.241405   -6.358996     2  6139
6142  6141  H     -3.937221   14.273679   -7.795534     2  6139
6143  6142  O     -4.019774   22.328968    5.960215     1  6143  6144
6144  6143  H     -3.830060   23.256442    6.075435     2  6142
6145  6144  H     -3.274689   22.024709    5.388989     2  6142
6146  6145  O     -0.564061   20.924381   -4.209193     1  6146  6147
6147  6146  H     -0.120837   21.730199   -4.595734     2  6145
6148  6147  H     -1.464819   21.038296   -4.564371     2  6145
6149  6148  O     -9.504843   16.855051  -10.856285     1  6149  6150
6150  6149  H     -9.186078   17.706948  -10.966209     2  6148
6151  6150  H     -8.879974   16.187687  -11.181834     2  6148
6152  6151  O     -9.672078   12.332186   -3.907616     1  6152  6153
6153  6152  H     -8.992560   12.898831   -3.509915     2  6151
6154  6153  H     -9.252754   11.490819   -3.900863     2  6151
6155  6154  O      2.585206   19.714598    5.758494     1  6155  6156
6156  6155  H      3.357211   19.715510    6.351582     2  6154
6157  6156  H      2.485170   18.868687    5.347424     2  6154
6158  6157  O     -0.719088   14.715973    6.238784     1  6158  6159
6159  6158  H     -0.329273   14.969167    7.094656     2  6157
6160  6159  H     -1.327387   13.955883    6.357108     2  6157
6161  6160  O      3.126476   23.207307   -3.493214     1  6161  6162
6162  6161  H      2.745357   23.808976   -4.198361     2  6160
6163  6162  H      3.491335   22.368653   -3.857140     2  6160
6164  6163  O     -5.768501    9.351179    8.960151     1  6164  6165
6165  6164  H     -6.737502    9.375785    8.864402     2  6163
6166  6165  H     -5.565950    9.557265    9.829364     2  6163
6167  6166  O      1.463498   21.987880    4.608208     1  6167  6168
6168  6167  H      0.990647   22.831830    4.885891     2  6166
6169  6168  H      2.109751   21.790937    5.231805     2  6166
6170  6169  O      3.233891   16.985537   -7.897551     1  6170  6171
6171  6170  H      2.794720   17.789338   -8.337074     2  6169
6172  6171  H      3.621348   16.456493   -8.628630     2  6169
6173  6172  O      9.004693   16.582186   -3.316249     1  6173  6174
6174  6173  H      8.322689   16.252776   -2.686372     2  6172
6175  6174  H      8.966715   17.560293   -3.214270     2  6172
6176  6175  O      0.268624   17.048559    2.049999     1  6176  6177
6177  6176  H      0.543151   17.947129    2.160042     2  6175
6178  6177  H      1.073122   16.517383    1.644501     2  6175
6179  6178  O      7.108557   22.146737   -6.312387     1  6179  6180
6180  6179  H      7.358698   21.332041   -6.799153     2  6178
6181  6180  H      6.200404   22.198967   -6.474442     2  6178
6182  6181  O      2.992483   11.565161   -5.160142     1  6182  6183
6183  6182  H      2.731876   11.631284   -6.108662     2  6181
6184  6183  H      3.964001   11.276651   -5.234054     2  6181
6185  6184  O      3.596625    8.585124    6.267216     1  6185  6186
6186  6185  H      3.577891    8.729414    7.258028     2  6184
6187  6186  H      3.704828    9.398802    5.859471     2  6184
6188  6187  O      1.768921   22.648817    7.916193     1  6188  6189
6189  6188  H      2.004633   21.704517    7.853712     2  6187
6190  6189  H      1.390483   22.827079    8.789735     2  6187
6191  6190  O     -1.263381   16.637638    4.334147     1  6191  6192
6192  6191  H     -1.135413   15.878733    4.964835     2  6190
6193  6192  H     -0.618173   16.561788    3.652347     2  6190
6194  6193  O     -7.416551   13.011018    4.003174     1  6194  6195
6195  6194  H     -7.122342   13.515879    4.763322     2  6193
6196  6195  H     -6.934913   12.160460    4.026394     2  6193
6197  6196  O     -3.539149   21.351411    8.619712     1  6197  6198
6198  6197  H     -3.745606   21.408262    7.689020     2  6196
6199  6198  H     -3.319461   22.288447    8.849773     2  6196
6200  6199  O      5.466705   11.963952    0.777974     1  6200  6201
6201  6200  H      6.145909   11.471538    0.415812     2  6199
6202  6201  H      5.858490   12.952768    0.902166     2  6199
6203  6202  O     -1.396940   27.338526    1.388165     1  6203  6204
6204  6203  H     -0.859168   27.014238    0.669924     2  6202
6205  6204  H     -2.311022   27.464222    1.046513     2  6202
6206  6205  O     -6.962174   18.819590    1.783421     1  6206  6207
6207  6206  H     -6.712087   19.102836    2.670159     2  6205
6208  6207  H     -7.374869   19.614195    1.505437     2  6205
6209  6208  O     -6.919484   10.313900    3.793610     1  6209  6210
6210  6209  H     -6.404395    9.726828    3.189584     2  6208
6211  6210  H     -7.317182    9.718447    4.476475     2  6208
6212  6211  O      5.860315   23.922394    0.564939     1  6212  6213
6213  6212  H      5.202387   24.594229    0.709726     2  6211
6214  6213  H      5.469719   23.403152   -0.148388     2  6211
6215  6214  O     -1.557439   15.651515   -2.928666     1  6215  6216
6216  6215  H     -1.945341   15.503746   -3.794569     2  6214
6217  6216  H     -1.129623   16.512708   -2.992395     2  6214
6218  6217  O     -9.491086   22.327719   -4.133472     1  6218  6219
6219  6218  H     -9.480489   23.022861   -4.808170     2  6217
6220  6219  H     -9.030264   21.550761   -4.455055     2  6217
6221  6220  O     -8.753189   13.036767    8.820391     1  6221  6222
6222  6221  H     -9.070348   13.881377    8.474052     2  6220
6223  6222  H     -7.914611   12.819356    8.392623     2  6220
6224  6223  O     -0.130093   10.753299   -1.698623     1  6224  6225
6225  6224  H     -0.364076   10.774579   -2.653619     2  6223
6226  6225  H      0.729268   11.092281   -1.708126     2  6223
6227  6226  O     -8.046068   21.500416    1.630683     1  6227  6228
6228  6227  H     -7.384200   22.058815    2.088292     2  6226
6229  6228  H     -8.853292   21.519737    2.235566     2  6226
6230  6229  O    -10.396068   14.782005   -6.324635     1  6230  6231
6231  6230  H    -10.704966   13.990257   -6.811615     2  6229
6232  6231  H    -10.447435   15.455307   -7.035493     2  6229
6233  6232  O      3.472394   27.887168   -5.613977     1  6233  6234
6234  6233  H      4.340940   28.287395   -5.652588     2  6232
6235  6234  H      3.333036   27.335972   -4.803607     2  6232
6236  6235  O      6.955416   23.430086   -3.868397     1  6236  6237
6237  6236  H      6.963782   24.350589   -4.220026     2  6235
6238  6237  H      7.023204   22.762028   -4.598144     2  6235
6239  6238  O     -7.590194   13.250695    1.171824     1  6239  6240
6240  6239  H     -7.140454   13.968949    0.758649     2  6238
6241  6240  H     -7.513690   13.257141    2.160183     2  6238
6242  6241  O     -3.919861    9.995032    6.882701     1  6242  6243
6243  6242  H     -3.921751   10.923943    6.519965     2  6241
6244  6243  H     -4.597284    9.805729    7.481891     2  6241
6245  6244  O     -5.773711   15.284889    0.944323     1  6245  6246
6246  6245  H     -4.986311   15.193197    0.428031     2  6244
6247  6246  H     -5.513539   15.561328    1.867856     2  6244
6248  6247  O      2.491147   11.264150   -2.243357     1  6248  6249
6249  6248  H      3.190351   10.546849   -2.067181     2  6247
6250  6249  H      2.478273   11.343756   -3.180462     2  6247
6251  6250  O     -2.171911   23.934558   -6.391173     1  6251  6252
6252  6251  H     -2.514352   24.688444   -6.922232     2  6250
6253  6252  H     -2.363338   24.173567   -5.484075     2  6250
6254  6253  O      3.798854   23.781802    6.360464     1  6254  6255
6255  6254  H      2.984959   23.744222    6.922648     2  6253
6256  6255  H      3.636875   24.081480    5.474854     2  6253
6257  6256  O      6.865863   12.408336   -3.893665     1  6257  6258
6258  6257  H      6.946827   11.540264   -3.439580     2  6256
6259  6258  H      7.774674   12.684078   -4.148558     2  6256
6260  6259  O     -6.011508   19.243797   -5.533061     1  6260  6261
6261  6260  H     -6.111959   19.004484   -6.451368     2  6259
6262  6261  H     -5.166286   19.791479   -5.459489     2  6259
6263  6262  O      8.140158   12.855291    4.111599     1  6263  6264
6264  6263  H      7.849303   12.435592    4.920412     2  6262
6265  6264  H      7.280766   13.230115    3.756991     2  6262
6266  6265  O      0.033965   24.608726   -8.555462     1  6266  6267
6267  6266  H      0.219995   25.257331   -9.257060     2  6265
6268  6267  H      0.077710   25.218426   -7.796921     2  6265
6269  6268  O     -2.783440   19.513084   10.991657     1  6269  6270
6270  6269  H     -2.960293   19.993193   10.160283     2  6268
6271  6270  H     -2.888713   20.227086   11.544556     2  6268
6272  6271  O      6.837812   12.239573   -8.992704     1  6272  6273
6273  6272  H      6.613640   11.395530   -9.463411     2  6271
6274  6273  H      6.389917   12.127183   -8.140837     2  6271
6275  6274  O      2.923526   12.211043    2.288614     1  6275  6276
6276  6275  H      2.498946   12.709159    1.577876     2  6274
6277  6276  H      3.763974   12.681186    2.442849     2  6274
6278  6277  O      9.960149   17.528404    8.125170     1  6278  6279
6279  6278  H     10.856234   17.377050    7.909440     2  6277
6280  6279  H      9.573086   18.208696    7.535805     2  6277
6281  6280  O      3.962104   11.348489    5.381855     1  6281  6282
6282  6281  H      4.678102   11.573395    6.032417     2  6280
6283  6282  H      3.110561   11.491831    5.848024     2  6280
6284  6283  O     -2.411148   12.648553    5.101217     1  6284  6285
6285  6284  H     -1.847345   11.854019    5.110649     2  6283
6286  6285  H     -2.280116   12.923282    4.166607     2  6283
6287  6286  O      7.491690   22.565245    4.488538     1  6287  6288
6288  6287  H      7.861051   22.411891    3.537188     2  6286
6289  6288  H      7.322601   21.660646    4.660612     2  6286
6290  6289  O    -10.487148   21.327653    2.975639     1  6290  6291
6291  6290  H    -10.642086   21.284955    3.951392     2  6289
6292  6291  H    -11.272639   21.754222    2.618734     2  6289
6293  6292  O      0.913523   13.035679   24.022152     1  6293  6294
6294  6293  H      1.148055   12.258243   24.520862     2  6292
6295  6294  H      1.385966   13.117414   23.216382     2  6292
6296  6295  O      4.021643   20.226655   13.003702     1  6296  6297
6297  6296  H      3.878929   19.242611   13.033197     2  6295
6298  6297  H      4.085900   20.502054   13.934295     2  6295
6299  6298  O     -2.470289    9.604055   16.488300     1  6299  6300
6300  6299  H     -2.931106   10.433808   16.410907     2  6298
6301  6300  H     -3.033768    8.844453   16.757048     2  6298
6302  6301  O      2.499770   26.650970   11.193248     1  6302  6303
6303  6302  H      3.363179   26.381617   11.349807     2  6301
6304  6303  H      2.563847   26.950011   10.249403     2  6301
6305  6304  O     -3.108552   17.870555   16.307732     1  6305  6306
6306  6305  H     -3.852433   17.579304   15.783529     2  6304
6307  6306  H     -3.235017   18.769196   16.594955     2  6304
6308  6307  O     -8.985914   15.593287   17.322338     1  6308  6309
6309  6308  H     -9.134958   14.808885   16.799795     2  6307
6310  6309  H     -9.756357   15.555615   17.907976     2  6307
6311  6310  O     -2.958932   21.629888   12.835347     1  6311  6312
6312  6311  H     -2.423559   22.347888   12.573643     2  6310
6313  6312  H     -2.619199   21.399497   13.713266     2  6310
6314  6313  O     -8.002512   13.480077   15.594234     1  6314  6315
6315  6314  H     -7.212000   13.243241   16.177323     2  6313
6316  6315  H     -7.589341   13.868912   14.781827     2  6313
6317  6316  O     -6.089848   12.886469   17.965628     1  6317  6318
6318  6317  H     -5.366428   12.527006   18.506361     2  6316
6319  6318  H     -5.970958   13.901271   17.898674     2  6316
6320  6319  O     -1.702319   17.166612    8.792008     1  6320  6321
6321  6320  H     -1.380888   17.425083    9.675959     2  6319
6322  6321  H     -1.036649   17.526054    8.157136     2  6319
6323  6322  O      9.599792    9.647687   12.800510     1  6323  6324
6324  6323  H      9.619074   10.480324   13.291667     2  6322
6325  6324  H      8.708194    9.397531   12.646299     2  6322
6326  6325  O     -2.363454   14.544067   20.467672     1  6326  6327
6327  6326  H     -1.443364   14.692463   20.706906     2  6325
6328  6327  H     -2.567810   15.339837   19.885135     2  6325
6329  6328  O     -1.432264   17.168352   22.579571     1  6329  6330
6330  6329  H     -0.771527   16.734361   21.931365     2  6328
6331  6330  H     -1.422283   16.457366   23.223829     2  6328
6332  6331  O      1.959550   24.153249   12.552448     1  6332  6333
6333  6332  H      1.860395   24.776848   11.855376     2  6331
6334  6333  H      2.091908   23.242277   12.277932     2  6331
6335  6334  O      4.508543    7.409581   22.858186     1  6335  6336
6336  6335  H      4.157677    6.548650   23.089281     2  6334
6337  6336  H      4.670566    7.874717   23.732139     2  6334
6338  6337  O      6.419846    9.702417   17.749924     1  6338  6339
6339  6338  H      7.157381    9.892907   17.203986     2  6337
6340  6339  H      6.873924    9.368997   18.524167     2  6337
6341  6340  O     21.305214  -11.831236   -6.725681     1  6341  6342
6342  6341  H     21.804849  -11.448537   -5.977029     2  6340
6343  6342  H     20.770889  -12.534145   -6.371167     2  6340
6344  6343  O     -4.915353   16.551490   14.719019     1  6344  6345
6345  6344  H     -4.764826   15.582620   14.452568     2  6343
6346  6345  H     -5.535747   16.479501   15.478721     2  6343
6347  6346  O     -6.028626   19.706511   15.504026     1  6347  6348
6348  6347  H     -6.162335   20.196090   14.663843     2  6346
6349  6348  H     -6.778502   19.106553   15.687836     2  6346
6350  6349  O      0.715094   22.899700   15.155659     1  6350  6351
6351  6350  H      0.743393   23.463039   14.326847     2  6349
6352  6351  H     -0.053526   22.278364   14.997300     2  6349
6353  6352  O     22.466508   -1.630453  -12.644349     1  6353  6354
6354  6353  H     22.210691   -0.668774  -12.913397     2  6352
6355  6354  H     21.629080   -2.142677  -12.710132     2  6352
6356  6355  O     17.884458  -10.689369  -12.670230     1  6356  6357
6357  6356  H     18.132799  -11.187473  -13.506167     2  6355
6358  6357  H     18.174958  -11.283051  -11.982519     2  6355
6359  6358  O      6.786696   10.533853   10.295084     1  6359  6360
6360  6359  H      7.698468   10.982875   10.266076     2  6358
6361  6360  H      6.504141   10.758921   11.151285     2  6358
6362  6361  O     24.136047   -4.251895  -10.403893     1  6362  6363
6363  6362  H     24.539278   -5.075285  -10.181569     2  6361
6364  6363  H     24.098884   -4.170331  -11.344102     2  6361
6365  6364  O      1.705155   11.677699   19.474903     1  6365  6366
6366  6365  H      0.878298   11.179129   19.398425     2  6364
6367  6366  H      2.387733   11.238783   18.937147     2  6364
6368  6367  O      0.546745   15.597280   21.097073     1  6368  6369
6369  6368  H      1.166392   15.758332   20.358509     2  6367
6370  6369  H      1.021841   15.202643   21.851685     2  6367
6371  6370  O     -5.281128   18.097736   12.354157     1  6371  6372
6372  6371  H     -5.161807   17.613505   13.186420     2  6370
6373  6372  H     -4.434818   18.285967   11.998569     2  6370
6374  6373  O      2.261885   21.172747   11.257348     1  6374  6375
6375  6374  H      2.358736   20.555522   10.446794     2  6373
6376  6375  H      2.738330   20.750921   12.030740     2  6373
6377  6376  O     -1.100987   19.170628   19.947416     1  6377  6378
6378  6377  H     -1.129104   20.111853   19.725398     2  6376
6379  6378  H     -0.259250   19.029333   20.383027     2  6376
6380  6379  O      0.163239   22.564192   10.300677     1  6380  6381
6381  6380  H     -0.019730   23.168228   11.025879     2  6379
6382  6381  H      0.739761   21.861379   10.740761     2  6379
6383  6382  O     -2.890044   17.020002   18.976475     1  6383  6384
6384  6383  H     -2.929418   17.236873   18.047283     2  6382
6385  6384  H     -2.144710   17.623125   19.230411     2  6382
6386  6385  O      2.097892   16.545167   15.050040     1  6386  6387
6387  6386  H      1.619836   16.086783   15.789224     2  6385
6388  6387  H      2.578358   15.865181   14.558082     2  6385
6389  6388  O     -5.660987   10.808787   11.389856     1  6389  6390
6390  6389  H     -6.430643   11.367868   11.428127     2  6388
6391  6390  H     -5.779428   10.002188   11.941447     2  6388
6392  6391  O      2.415862   19.887449    8.793275     1  6392  6393
6393  6392  H      3.173309   19.271910    8.738833     2  6391
6394  6393  H      1.609984   19.338206    8.717722     2  6391
6395  6394  O      0.624067    7.011338   19.972651     1  6395  6396
6396  6395  H      0.317402    6.352114   20.592958     2  6394
6397  6396  H      0.611875    7.808904   20.495484     2  6394
6398  6397  O      2.667868   16.723991   19.295604     1  6398  6399
6399  6398  H      3.459987   16.432180   18.803587     2  6397
6400  6399  H      3.092284   16.992943   20.153830     2  6397
6401  6400  O     -1.554973    7.230894    9.680678     1  6401  6402
6402  6401  H     -0.762787    7.774310    9.816568     2  6400
6403  6402  H     -1.999687    7.225372   10.537255     2  6400
6404  6403  O     -3.683500   12.144177   19.512618     1  6404  6405
6405  6404  H     -3.480431   11.313893   20.008520     2  6403
6406  6405  H     -3.111769   12.909973   19.860668     2  6403
6407  6406  O      0.542160   22.519067   17.975501     1  6407  6408
6408  6407  H      0.634218   23.142969   17.228651     2  6406
6409  6408  H      0.266904   21.638244   17.656324     2  6406
6410  6409  O     -1.345415   10.286625   11.895530     1  6410  6411
6411  6410  H     -1.952292   10.947004   11.451954     2  6409
6412  6411  H     -1.152594   10.484610   12.828805     2  6409
6413  6412  O      3.229560   15.762754    9.951077     1  6413  6414
6414  6413  H      4.046112   16.206275    9.930924     2  6412
6415  6414  H      3.438928   15.051985   10.601249     2  6412
6416  6415  O      3.719791    8.103523   12.010994     1  6416  6417
6417  6416  H      2.755183    8.168354   12.127012     2  6415
6418  6417  H      3.846225    8.585989   11.207721     2  6415
6419  6418  O     23.923392  -10.672756   -6.437136     1  6419  6420
6420  6419  H     24.208824  -10.582821   -7.413440     2  6418
6421  6420  H     24.766855  -10.683848   -5.990714     2  6418
6422  6421  O      6.273716    6.293047   20.949860     1  6422  6423
6423  6422  H      6.055729    5.343888   20.875484     2  6421
6424  6423  H      5.652563    6.671008   21.520769     2  6421
6425  6424  O     -0.338347   10.544684   14.590276     1  6425  6426
6426  6425  H      0.266448   11.236922   14.962451     2  6424
6427  6426  H     -0.800411   10.302315   15.371344     2  6424
6428  6427  O      3.790474   17.510654   12.629873     1  6428  6429
6429  6428  H      4.567078   17.308742   12.056709     2  6427
6430  6429  H      4.022357   17.173484   13.522269     2  6427
6431  6430  O     -7.326210   14.338923   12.633405     1  6431  6432
6432  6431  H     -7.429998   13.523410   12.006929     2  6430
6433  6432  H     -6.356788   14.446798   12.814438     2  6430
6434  6433  O     20.619860   -4.951134  -15.536627     1  6434  6435
6435  6434  H     20.572886   -5.593952  -14.791861     2  6433
6436  6435  H     20.583044   -5.485495  -16.348160     2  6433
6437  6436  O     -0.838930   20.381053    8.720216     1  6437  6438
6438  6437  H     -0.715557   21.101241    9.318046     2  6436
6439  6438  H     -1.651516   20.562617    8.265758     2  6436
6440  6439  O     -5.533559    6.410547    8.739609     1  6440  6441
6441  6440  H     -4.690577    6.031161    8.419815     2  6439
6442  6441  H     -5.477583    7.409577    8.711270     2  6439
6443  6442  O     -9.301015   19.987257   11.561343     1  6443  6444
6444  6443  H    -10.205108   19.811050   11.449471     2  6442
6445  6444  H     -9.042759   20.584465   10.843690     2  6442
6446  6445  O      9.007270   15.054109    9.023047     1  6446  6447
6447  6446  H      9.395975   15.759094    8.434198     2  6445
6448  6447  H      9.622002   14.981070    9.778068     2  6445
6449  6448  O      0.938992   10.981818    9.029967     1  6449  6450
6450  6449  H      1.275844   11.330085    8.212582     2  6448
6451  6450  H      0.066566   10.646221    8.854785     2  6448
6452  6451  O     20.018716   -9.505194  -10.821572     1  6452  6453
6453  6452  H     19.310635   -8.827015  -10.576876     2  6451
6454  6453  H     19.735809  -10.335793  -10.531691     2  6451
6455  6454  O      6.376687   14.822709    9.862528     1  6455  6456
6456  6455  H      5.693504   14.273872    9.343385     2  6454
6457  6456  H      7.153217   14.848133    9.248690     2  6454
6458  6457  O     -6.860614    9.632903   16.962860     1  6458  6459
6459  6458  H     -7.292025    9.283426   17.745703     2  6457
6460  6459  H     -7.104156   10.583176   16.921549     2  6457
6461  6460  O     -7.466009   21.489270   10.028276     1  6461  6462
6462  6461  H     -7.113145   21.927134    9.254169     2  6460
6463  6462  H     -7.125791   20.594279   10.053213     2  6460
6464  6463  O     -2.637149   14.504343    8.908119     1  6464  6465
6465  6464  H     -2.585603   15.474930    9.020292     2  6463
6466  6465  H     -1.701582   14.162381    9.056019     2  6463
6467  6466  O      6.580066   20.457081   12.037209     1  6467  6468
6468  6467  H      5.624330   20.250618   12.177470     2  6466
6469  6468  H      7.008673   19.620553   12.307851     2  6466
6470  6469  O     -0.965085   16.587309   14.888862     1  6470  6471
6471  6470  H     -1.568867   17.192319   15.306882     2  6469
6472  6471  H     -0.290601   16.412044   15.576363     2  6469
6473  6472  O     -0.806807   19.654327   17.267811     1  6473  6474
6474  6473  H     -1.488743   19.873371   17.843600     2  6472
6475  6474  H     -0.127813   19.149036   17.710453     2  6472
6476  6475  O     -4.134080   11.411883   13.968549     1  6476  6477
6477  6476  H     -3.399458   11.122173   13.467670     2  6475
6478  6477  H     -4.835279   10.742024   13.942246     2  6475
6479  6478  O      1.142224   12.176070   11.857612     1  6479  6480
6480  6479  H      0.307609   12.232850   12.303431     2  6478
6481  6480  H      0.930169   11.602233   11.023716     2  6478
6482  6481  O     -4.607046  -27.145430    9.648666     1  6482  6483
6483  6482  H     -5.219920  -27.554777    9.055399     2  6481
6484  6483  H     -3.760651  -27.541551    9.635216     2  6481
6485  6484  O     17.754236   -2.427343  -17.374847     1  6485  6486
6486  6485  H     18.540884   -2.433001  -16.834859     2  6484
6487  6486  H     17.898168   -1.739547  -18.037713     2  6484
6488  6487  O      2.788607   12.936464   15.194496     1  6488  6489
6489  6488  H      3.371494   13.674388   15.052270     2  6487
6490  6489  H      1.998914   13.317585   15.582566     2  6487
6491  6490  O      3.353801   13.746847   12.051897     1  6491  6492
6492  6491  H      3.757112   13.696342   12.964004     2  6490
6493  6492  H      2.564070   13.129849   12.055280     2  6490
6494  6493  O      3.147364   21.764475   15.800268     1  6494  6495
6495  6494  H      2.999903   20.832930   15.962313     2  6493
6496  6495  H      2.308919   22.245892   15.845510     2  6493
6497  6496  O     -5.911426   12.033480   22.893563     1  6497  6498
6498  6497  H     -5.535616   12.905366   23.083950     2  6496
6499  6498  H     -6.806140   12.141162   22.488730     2  6496
6500  6499  O      3.429789   10.616696   17.455702     1  6500  6501
6501  6500  H      4.366856   10.409910   17.569259     2  6499
6502  6501  H      3.288324   11.100908   16.653042     2  6499
6503  6502  O     -5.781370   20.711353   12.801008     1  6503  6504
6504  6503  H     -5.057429   21.301296   12.548935     2  6502
6505  6504  H     -5.620965   19.843609   12.417121     2  6502
6506  6505  O     -0.979579   20.680355   14.672520     1  6506  6507
6507  6506  H     -0.413281   20.089263   14.155705     2  6505
6508  6507  H     -0.874853   20.322214   15.621781     2  6505
6509  6508  O      0.536158   18.583548   13.443750     1  6509  6510
6510  6509  H      0.689728   18.649366   12.514675     2  6508
6511  6510  H      0.154792   17.703165   13.696887     2  6508
6512  6511  O      8.315185   14.341009   15.812997     1  6512  6513
6513  6512  H      8.441526   14.713207   16.680830     2  6511
6514  6513  H      7.531974   13.785856   15.936617     2  6511
6515  6514  O      6.431173   14.038776   12.538701     1  6515  6516
6516  6515  H      6.464772   13.084723   12.791616     2  6514
6517  6516  H      6.308037   14.085911   11.566119     2  6514
6518  6517  O     -3.170200   12.259036   10.950161     1  6518  6519
6519  6518  H     -3.260434   12.635540   10.096120     2  6517
6520  6519  H     -4.051978   11.900285   11.140432     2  6517
6521  6520  O      0.543706   12.626520   16.952484     1  6521  6522
6522  6521  H      0.793834   12.301961   17.830378     2  6520
6523  6522  H     -0.435696   12.655937   16.989352     2  6520
6524  6523  O      2.295633   13.645540   21.708630     1  6524  6525
6525  6524  H      2.261002   13.013049   21.010371     2  6523
6526  6525  H      3.190869   13.920822   21.869179     2  6523
6527  6526  O      4.886251   11.188819    8.380102     1  6527  6528
6528  6527  H      4.323366   10.411283    8.663462     2  6526
6529  6528  H      5.785094   10.972563    8.822587     2  6526
6530  6529  O      6.113615   11.186999   12.843188     1  6530  6531
6531  6530  H      6.896656   11.095327   13.424739     2  6529
6532  6531  H      5.346350   11.102250   13.419775     2  6529
6533  6532  O     -3.730531   13.927300   22.853372     1  6533  6534
6534  6533  H     -3.541044   14.294072   22.007656     2  6532
6535  6534  H     -2.989763   13.375984   23.181480     2  6532
6536  6535  O      4.803886   17.302537   16.221776     1  6536  6537
6537  6536  H      5.048620   16.934394   17.098771     2  6535
6538  6537  H      5.323114   18.145954   16.188399     2  6535
6539  6538  O     -0.484201   13.738970   14.015806     1  6539  6540
6540  6539  H     -1.145127   14.216700   14.479382     2  6538
6541  6540  H      0.186042   14.368671   13.734763     2  6538
6542  6541  O     -4.301188   24.286208   11.787405     1  6542  6543
6543  6542  H     -4.123280   25.220468   12.064073     2  6541
6544  6543  H     -5.170247   24.053725   12.057870     2  6541
6545  6544  O     -2.418029   12.255207   17.008886     1  6545  6546
6546  6545  H     -2.859429   12.101105   17.826408     2  6544
6547  6546  H     -3.030374   12.696333   16.341632     2  6544
6548  6547  O     -2.352113   15.909767   12.461680     1  6548  6549
6549  6548  H     -1.831848   15.507942   11.761885     2  6547
6550  6549  H     -1.805274   16.388925   13.149460     2  6547
6551  6550  O     24.187342   -0.989385  -15.496504     1  6551  6552
6552  6551  H     23.768364   -0.231577  -16.029693     2  6550
6553  6552  H     24.279072   -0.615612  -14.641066     2  6550
6554  6553  O     -4.345351   16.874537    7.668623     1  6554  6555
6555  6554  H     -3.509374   17.162527    8.024813     2  6553
6556  6555  H     -4.927444   17.500502    7.996608     2  6553
6557  6556  O    -10.660432   13.648687   14.237404     1  6557  6558
6558  6557  H     -9.878905   13.282474   14.656917     2  6556
6559  6558  H    -10.383943   14.436063   13.777669     2  6556
6560  6559  O     24.607546   -3.334366  -12.837733     1  6560  6561
6561  6560  H     23.779067   -2.897892  -13.063885     2  6559
6562  6561  H     25.140403   -2.647638  -12.421760     2  6559
6563  6562  O      4.476080   14.928386   14.734320     1  6563  6564
6564  6563  H      5.312601   14.328884   14.816758     2  6562
6565  6564  H      4.485885   15.719274   15.296213     2  6562
6566  6565  O    -21.457862   -8.402148  -11.673490     1  6566  6567
6567  6566  H    -21.421101   -7.455374  -11.870069     2  6565
6568  6567  H    -20.772982   -8.788356  -12.259284     2  6565
6569  6568  O      0.981546   15.271272   17.434358     1  6569  6570
6570  6569  H      0.703091   14.339806   17.440825     2  6568
6571  6570  H      1.519522   15.467962   18.233693     2  6568
6572  6571  O      3.524763   10.789273   13.871709     1  6572  6573
6573  6572  H      3.188922   11.595070   14.311001     2  6571
6574  6573  H      3.023492   10.569874   13.144037     2  6571
6575  6574  O      0.411526   10.520985   27.736740     1  6575  6576
6576  6575  H      0.566953   10.188661   26.835612     2  6574
6577  6576  H     -0.481107   10.850667   27.705888     2  6574
6578  6577  O      2.507385    9.749771   22.169340     1  6578  6579
6579  6578  H      1.687911    9.438971   21.754287     2  6577
6580  6579  H      3.276049    9.148842   21.976329     2  6577
6581  6580  O     22.582353  -12.788980   -3.375704     1  6581  6582
6582  6581  H     23.263188  -13.238110   -3.879850     2  6580
6583  6582  H     22.755748  -13.101564   -2.480230     2  6580
6584  6583  O      0.956240   16.104640   11.556675     1  6584  6585
6585  6584  H      0.501735   16.773741   11.030311     2  6583
6586  6585  H      1.712906   16.537661   12.049878     2  6583
6587  6586  O     20.350460   -5.660017  -12.510357     1  6587  6588
6588  6587  H     19.578210   -6.207479  -12.788199     2  6586
6589  6588  H     20.834189   -6.158514  -11.783677     2  6586
6590  6589  O     -0.862307   10.179247   18.514365     1  6590  6591
6591  6590  H     -1.649214   10.386381   18.036075     2  6589
6592  6591  H     -0.251106    9.649540   17.942057     2  6589
6593  6592  O     -8.259762   11.878696   11.334998     1  6593  6594
6594  6593  H     -8.716291   12.169487   10.577955     2  6592
6595  6594  H     -8.796603   11.302517   11.887653     2  6592
6596  6595  O     -4.272523   14.210410   13.396214     1  6596  6597
6597  6596  H     -4.247808   13.217597   13.315904     2  6595
6598  6597  H     -3.498541   14.455326   12.857347     2  6595
6599  6598  O     -1.658824   12.343876   23.834225     1  6599  6600
6600  6599  H     -0.770142   12.535380   23.645645     2  6598
6601  6600  H     -1.625011   12.235448   24.842561     2  6598
6602  6601  O      1.237164    8.504997   17.636621     1  6602  6603
6603  6602  H      2.173044    8.838007   17.654883     2  6601
6604  6603  H      1.131951    7.822112   18.320695     2  6601
6605  6604  O      8.403299   11.432381   14.654584     1  6605  6606
6606  6605  H      8.705046   10.967993   15.412604     2  6604
6607  6606  H      8.638240   12.333888   14.769773     2  6604
6608  6607  O     -7.452320   18.388785   10.475516     1  6608  6609
6609  6608  H     -6.824146   18.140561   11.137091     2  6607
6610  6609  H     -8.260287   18.745248   10.829026     2  6607
6611  6610  O      4.838311   13.928530   22.584808     1  6611  6612
6612  6611  H      4.896911   14.128086   23.587592     2  6610
6613  6612  H      5.703343   14.059812   22.300482     2  6610
6614  6613  O      6.874128    7.733733    9.345364     1  6614  6615
6615  6614  H      7.009100    8.673780    9.637667     2  6613
6616  6615  H      7.695238    7.421175    8.998460     2  6613
6617  6616  O     -0.062369    9.420354   21.034333     1  6617  6618
6618  6617  H     -0.545275    9.953577   20.353958     2  6616
6619  6618  H     -0.687914    9.040323   21.596903     2  6616
6620  6619  O     23.944448   -9.724069   -2.662662     1  6620  6621
6621  6620  H     23.993669  -10.614206   -2.963503     2  6619
6622  6621  H     23.995516   -9.708294   -1.686509     2  6619
6623  6622  O     13.310379  -16.971523  -10.872589     1  6623  6624
6624  6623  H     13.077126  -17.287403   -9.986082     2  6622
6625  6624  H     14.196702  -16.620819  -10.898085     2  6622
6626  6625  O     14.322336  -13.803449   -9.692105     1  6626  6627
6627  6626  H     13.608105  -14.400522   -9.725355     2  6625
6628  6627  H     14.325348  -13.426137  -10.566284     2  6625
6629  6628  O      6.173688  -17.661804  -13.391277     1  6629  6630
6630  6629  H      6.072039  -17.855677  -14.294479     2  6628
6631  6630  H      6.757504  -18.321763  -13.077755     2  6628
6632  6631  O     10.924298  -12.503913  -12.092398     1  6632  6633
6633  6632  H     11.312187  -11.639777  -12.023650     2  6631
6634  6633  H      9.994888  -12.467391  -12.302138     2  6631
6635  6634  O     10.661986  -11.258593  -15.458318     1  6635  6636
6636  6635  H     10.293463  -12.213434  -15.413256     2  6634
6637  6636  H     11.197855  -11.241746  -16.318044     2  6634
6638  6637  O     15.092786  -10.050553  -12.256924     1  6638  6639
6639  6638  H     14.721434   -9.369686  -12.868437     2  6637
6640  6639  H     16.044235   -9.947044  -12.242001     2  6637
6641  6640  O      5.896585  -17.220847   -8.747185     1  6641  6642
6642  6641  H      4.899287  -17.397142   -8.806315     2  6640
6643  6642  H      6.325136  -18.073765   -9.002345     2  6640
6644  6643  O      9.004342  -14.128871  -15.553549     1  6644  6645
6645  6644  H      9.567109  -14.851379  -15.736331     2  6643
6646  6645  H      8.479174  -14.416339  -14.795156     2  6643
6647  6646  O     -9.680542   15.966036   12.929620     1  6647  6648
6648  6647  H     -9.815747   16.311284   12.043834     2  6646
6649  6648  H     -8.883983   15.424278   12.837975     2  6646
6650  6649  O     13.817286   -9.381860   -9.891737     1  6650  6651
6651  6650  H     13.784640  -10.281879   -9.442594     2  6649
6652  6651  H     14.268149   -9.615306  -10.776352     2  6649
6653  6652  O      8.522257  -10.985848  -12.454679     1  6653  6654
6654  6653  H      8.674546  -10.114183  -12.740615     2  6652
6655  6654  H      8.752263  -10.991420  -11.482426     2  6652
6656  6655  O      9.542922   -7.992488  -11.971346     1  6656  6657
6657  6656  H     10.206633   -8.605543  -12.297156     2  6655
6658  6657  H      9.359915   -8.269531  -11.053513     2  6655
6659  6658  O    -27.898211  -11.196415    0.866379     1  6659  6660
6660  6659  H    -28.438276  -10.399598    1.137493     2  6658
6661  6660  H    -27.538261  -11.496459    1.710643     2  6658
6662  6661  O     13.167571  -21.622747    5.501504     1  6662  6663
6663  6662  H     12.833088  -22.238111    6.204901     2  6661
6664  6663  H     12.416759  -21.172250    5.095555     2  6661
6665  6664  O     25.563803  -13.681069    2.364794     1  6665  6666
6666  6665  H     25.259167  -12.831202    1.970212     2  6664
6667  6666  H     26.459843  -13.874144    1.973602     2  6664
6668  6667  O    -15.687895    3.342853  -22.427401     1  6668  6669
6669  6668  H    -15.896417    2.460347  -22.112944     2  6667
6670  6669  H    -15.009793    3.185003  -23.081918     2  6667
6671  6670  O     17.203464  -11.769333   -8.579450     1  6671  6672
6672  6671  H     17.314687  -12.133474   -7.680702     2  6670
6673  6672  H     17.286184  -10.837572   -8.492024     2  6670
6674  6673  O     12.079971  -17.565322   -7.419781     1  6674  6675
6675  6674  H     11.651360  -16.715133   -7.369372     2  6673
6676  6675  H     12.952987  -17.415888   -6.916563     2  6673
6677  6676  O     16.777999  -23.772364    1.177880     1  6677  6678
6678  6677  H     17.220079  -24.241848    1.838202     2  6676
6679  6678  H     17.500073  -23.528568    0.607799     2  6676
6680  6679  O     22.296368   -9.240475   -8.930035     1  6680  6681
6681  6680  H     23.250128   -9.494766   -9.088656     2  6679
6682  6681  H     21.911318   -9.132378   -9.798791     2  6679
6683  6682  O     22.205633  -11.797077    4.853171     1  6683  6684
6684  6683  H     22.643026  -12.018375    5.705668     2  6682
6685  6684  H     21.730872  -12.560813    4.514960     2  6682
6686  6685  O     21.831619  -13.251874    0.919799     1  6686  6687
6687  6686  H     22.283889  -13.919454    0.365915     2  6685
6688  6687  H     21.208938  -12.795724    0.304438     2  6685
6689  6688  O      8.373565  -11.424122   -9.606620     1  6689  6690
6690  6689  H      9.060659  -11.908887   -9.074876     2  6688
6691  6690  H      7.576802  -11.855317   -9.310726     2  6688
6692  6691  O     10.726456  -15.940879    9.567227     1  6692  6693
6693  6692  H     10.186183  -15.677101    8.791021     2  6691
6694  6693  H     11.480246  -15.286363    9.573308     2  6691
6695  6694  O     19.035503  -10.411286   -4.423098     1  6695  6696
6696  6695  H     19.596597  -11.162756   -4.740934     2  6694
6697  6696  H     19.393727   -9.669564   -4.856604     2  6694
6698  6697  O     12.570329  -25.166921   -3.137846     1  6698  6699
6699  6698  H     12.330398  -26.107700   -3.001087     2  6697
6700  6699  H     13.186929  -25.230568   -3.907541     2  6697
6701  6700  O     11.388344  -27.363247   -2.031128     1  6701  6702
6702  6701  H     11.507490  -27.713477   -1.125287     2  6700
6703  6702  H     10.943631  -28.023486   -2.570416     2  6700
6704  6703  O     10.104584  -19.210747   -6.779843     1  6704  6705
6705  6704  H     11.031388  -18.894949   -6.992611     2  6703
6706  6705  H      9.619144  -18.495173   -7.237527     2  6703
6707  6706  O     18.898895  -10.335542    2.439292     1  6707  6708
6708  6707  H     19.320589  -10.569296    3.314944     2  6706
6709  6708  H     18.013528  -10.125609    2.751124     2  6706
6710  6709  O     -1.877122   15.318744  -17.787826     1  6710  6711
6711  6710  H     -2.139217   14.960382  -16.907442     2  6709
6712  6711  H     -0.902827   15.145894  -17.926106     2  6709
6713  6712  O     26.160331   -8.189839   -4.244153     1  6713  6714
6714  6713  H     26.605471   -8.887995   -4.834514     2  6712
6715  6714  H     25.485464   -8.700423   -3.726732     2  6712
6716  6715  O     12.841147  -18.778021    4.951566     1  6716  6717
6717  6716  H     12.982172  -18.176585    4.247387     2  6715
6718  6717  H     11.976306  -18.724302    5.336925     2  6715
6719  6718  O      7.979430  -13.659410   -6.275474     1  6719  6720
6720  6719  H      7.203238  -13.847482   -6.841974     2  6718
6721  6720  H      8.797237  -13.566428   -6.856559     2  6718
6722  6721  O     -7.078770    2.612341  -25.691316     1  6722  6723
6723  6722  H     -6.249766    2.124072  -25.596509     2  6721
6724  6723  H     -7.190452    2.555909  -26.645182     2  6721
6725  6724  O      9.580757  -19.211152   -4.075897     1  6725  6726
6726  6725  H      9.378997  -20.153213   -3.963828     2  6724
6727  6726  H      9.710066  -19.129633   -5.049227     2  6724
6728  6727  O    -14.342576   -0.841060   25.944283     1  6728  6729
6729  6728  H    -14.863354   -0.081214   25.761722     2  6727
6730  6729  H    -13.668114   -0.748936   26.673845     2  6727
6731  6730  O     18.700625  -14.332603   -2.090384     1  6731  6732
6732  6731  H     17.796120  -14.068169   -2.389613     2  6730
6733  6732  H     18.972542  -13.612740   -1.541368     2  6730
6734  6733  O     22.858358  -14.722652   -1.369127     1  6734  6735
6735  6734  H     23.743712  -15.031825   -1.513964     2  6733
6736  6735  H     22.262422  -15.372544   -1.757811     2  6733
6737  6736  O     19.543138  -12.121864   -0.323020     1  6737  6738
6738  6737  H     19.216142  -11.334317   -0.709702     2  6736
6739  6738  H     19.125569  -12.252514    0.539840     2  6736
6740  6739  O      8.595662  -21.764852   -3.651537     1  6740  6741
6741  6740  H      8.444958  -21.423611   -2.782203     2  6739
6742  6741  H      9.401549  -22.263308   -3.591120     2  6739
6743  6742  O     17.769793  -16.925990   -0.136158     1  6743  6744
6744  6743  H     17.210789  -16.459136    0.491736     2  6742
6745  6744  H     17.538352  -17.884514   -0.084003     2  6742
6746  6745  O      9.460130  -21.045594    6.271768     1  6746  6747
6747  6746  H      9.737767  -21.211416    5.361704     2  6745
6748  6747  H      8.609132  -21.475521    6.346390     2  6745
6749  6748  O     17.648618  -17.227055   -2.778080     1  6749  6750
6750  6749  H     17.920309  -16.777806   -1.964175     2  6748
6751  6750  H     18.328448  -17.830148   -3.029446     2  6748
6752  6751  O     14.616448  -17.620006   -6.174573     1  6752  6753
6753  6752  H     14.743592  -17.543971   -5.220971     2  6751
6754  6753  H     15.177720  -16.922502   -6.634143     2  6751
6755  6754  O     14.697862  -13.876224   -0.534549     1  6755  6756
6756  6755  H     14.004302  -14.535626   -0.636226     2  6754
6757  6756  H     14.263109  -13.023524   -0.634782     2  6754
6758  6757  O     17.120006  -19.677022    0.299712     1  6758  6759
6759  6758  H     17.402070  -20.142188    1.077803     2  6757
6760  6759  H     16.181093  -19.932531    0.178240     2  6757
6761  6760  O     16.550591   -9.602274    3.648265     1  6761  6762
6762  6761  H     16.257795   -9.117868    4.440716     2  6760
6763  6762  H     15.865904   -9.292450    2.979103     2  6760
6764  6763  O     -4.126894    9.053049  -23.761211     1  6764  6765
6765  6764  H     -4.057493    9.740259  -24.384452     2  6763
6766  6765  H     -4.491120    8.311647  -24.286156     2  6763
6767  6766  O     11.375893   -9.647822    4.813867     1  6767  6768
6768  6767  H     11.520848   -9.367015    5.717390     2  6766
6769  6768  H     11.099393  -10.556695    4.915857     2  6766
6770  6769  O     14.020231  -12.985630    3.155037     1  6770  6771
6771  6770  H     13.558648  -13.323142    2.330485     2  6769
6772  6771  H     13.485554  -13.400535    3.829084     2  6769
6773  6772  O     16.879345  -18.196584    4.520036     1  6773  6774
6774  6773  H     16.892941  -18.940332    3.939400     2  6772
6775  6774  H     17.555281  -17.548575    4.239665     2  6772
6776  6775  O     21.137527  -14.210846    3.704395     1  6776  6777
6777  6776  H     21.089769  -13.905800    2.764538     2  6775
6778  6777  H     20.330012  -14.748168    3.811478     2  6775
6779  6778  O      9.118666   -8.714606   -9.139271     1  6779  6780
6780  6779  H      8.599261   -9.516011   -9.557147     2  6778
6781  6780  H      8.558850   -8.181190   -8.547973     2  6778
6782  6781  O    -11.511673   11.122681  -18.921621     1  6782  6783
6783  6782  H    -10.608583   11.392866  -18.698223     2  6781
6784  6783  H    -11.563949   10.229763  -18.604190     2  6781
6785  6784  O     18.995438  -16.016502    4.405685     1  6785  6786
6786  6785  H     18.292255  -15.731975    5.098866     2  6784
6787  6786  H     19.661664  -16.538638    4.867213     2  6784
6788  6787  O     20.121628   -9.367951   -6.810474     1  6788  6789
6789  6788  H     20.833304   -9.012141   -7.317284     2  6787
6790  6789  H     20.344280  -10.295173   -6.782453     2  6787
6791  6790  O     16.079662   -9.009181   -3.210393     1  6791  6792
6792  6791  H     16.168943   -9.097699   -2.236629     2  6790
6793  6792  H     16.831616   -8.470693   -3.449639     2  6790
6794  6793  O     14.633016   -8.790100    5.526474     1  6794  6795
6795  6794  H     14.406859   -7.961655    5.044857     2  6793
6796  6795  H     14.632808   -8.454859    6.396211     2  6793
6797  6796  O      7.646681  -24.005647   -8.257727     1  6797  6798
6798  6797  H      6.734768  -24.356912   -8.468926     2  6796
6799  6798  H      7.499520  -23.294962   -7.560102     2  6796
6800  6799  O     16.172012  -15.162218    1.428854     1  6800  6801
6801  6800  H     15.874033  -15.193905    2.355387     2  6799
6802  6801  H     15.778578  -14.426026    1.024651     2  6799
6803  6802  O     12.898392  -21.420379   -3.654479     1  6803  6804
6804  6803  H     12.482302  -22.019231   -4.238352     2  6802
6805  6804  H     12.728880  -21.759666   -2.761824     2  6802
6806  6805  O     10.079255   -8.459946    2.565777     1  6806  6807
6807  6806  H      9.231807   -8.908483    2.848601     2  6805
6808  6807  H     10.613388   -8.809952    3.320956     2  6805
6809  6808  O      6.840488  -15.216294  -10.621586     1  6809  6810
6810  6809  H      6.529950  -14.355879  -10.270780     2  6808
6811  6810  H      6.238189  -15.909001  -10.291213     2  6808
6812  6811  O     14.643323  -14.174147    7.820726     1  6812  6813
6813  6812  H     14.287572  -13.295016    7.453640     2  6811
6814  6813  H     14.216025  -14.824703    7.255489     2  6811
6815  6814  O     15.377923  -18.600373   -3.463044     1  6815  6816
6816  6815  H     16.242418  -18.223428   -3.185653     2  6814
6817  6816  H     15.532146  -19.519953   -3.691069     2  6814
6818  6817  O    -12.862378   -0.242986  -27.889394     1  6818  6819
6819  6818  H    -12.914760   -1.023206  -27.282218     2  6817
6820  6819  H    -13.448432    0.334559  -27.345618     2  6817
6821  6820  O     10.723747   -9.175377   -5.665545     1  6821  6822
6822  6821  H     11.206589   -9.950936   -6.059296     2  6820
6823  6822  H     11.316044   -8.449327   -5.763837     2  6820
6824  6823  O     12.103187  -14.609227    1.934987     1  6824  6825
6825  6824  H     11.122114  -14.664120    2.257503     2  6823
6826  6825  H     12.052617  -14.923071    0.981201     2  6823
6827  6826  O     16.252110  -15.508731   -7.368721     1  6827  6828
6828  6827  H     16.685284  -14.924152   -7.951763     2  6826
6829  6828  H     16.554287  -15.152024   -6.551784     2  6826
6830  6829  O     22.195592  -17.407097   -0.247121     1  6830  6831
6831  6830  H     21.663352  -17.104781   -0.983898     2  6829
6832  6831  H     21.652421  -17.471544    0.574782     2  6829
6833  6832  O     20.874635  -16.272349   -2.588234     1  6833  6834
6834  6833  H     20.101122  -15.705410   -2.573266     2  6832
6835  6834  H     21.418739  -16.079050   -3.392847     2  6832
6836  6835  O     23.590642   -8.546405    5.383323     1  6836  6837
6837  6836  H     24.019071   -9.165003    4.825303     2  6835
6838  6837  H     24.289828   -8.327017    5.913724     2  6835
6839  6838  O    -15.441916   -2.579242   23.846694     1  6839  6840
6840  6839  H    -16.281575   -2.153112   24.005912     2  6838
6841  6840  H    -14.887864   -2.212537   24.528890     2  6838
6842  6841  O     11.734846   -7.851705   -9.148011     1  6842  6843
6843  6842  H     12.476183   -8.342312   -9.512083     2  6841
6844  6843  H     10.908287   -8.386623   -9.179539     2  6841
6845  6844  O     16.141569   -9.900958   -0.485081     1  6845  6846
6846  6845  H     15.314473  -10.281653   -0.878276     2  6844
6847  6846  H     15.807798   -9.442775    0.314686     2  6844
6848  6847  O     20.460655   -9.110140    0.259401     1  6848  6849
6849  6848  H     19.918152   -9.733420    0.793543     2  6847
6850  6849  H     19.959377   -9.185461   -0.559464     2  6847
6851  6850  O     11.725814  -14.338722   -9.949735     1  6851  6852
6852  6851  H     11.047284  -14.989645  -10.116501     2  6850
6853  6852  H     11.618880  -13.774037  -10.720139     2  6850
6854  6853  O     14.409416  -23.266640   -1.741628     1  6854  6855
6855  6854  H     15.109909  -23.878163   -1.901771     2  6853
6856  6855  H     13.612876  -23.606903   -2.188245     2  6853
6857  6856  O     24.089198  -11.687920    0.847393     1  6857  6858
6858  6857  H     23.891075  -10.732724    0.850131     2  6856
6859  6858  H     23.250647  -12.127339    0.969517     2  6856
6860  6859  O     10.501634  -16.133945    5.063113     1  6860  6861
6861  6860  H      9.951539  -15.960399    4.269351     2  6859
6862  6861  H     10.064227  -16.966538    5.421566     2  6859
6863  6862  O     16.171913  -13.884891   -2.852511     1  6863  6864
6864  6863  H     15.765917  -13.183587   -3.367244     2  6862
6865  6864  H     15.686703  -14.029132   -1.980890     2  6862
6866  6865  O     -6.929540   10.449802  -22.520381     1  6866  6867
6867  6866  H     -5.992103   10.696562  -22.387113     2  6865
6868  6867  H     -6.844846    9.747242  -23.159468     2  6865
6869  6868  O     -6.139887   15.783179   17.579049     1  6869  6870
6870  6869  H     -7.042393   15.722287   17.315079     2  6868
6871  6870  H     -6.100410   16.331690   18.407958     2  6868
6872  6871  O     -2.276271   12.881936   26.478850     1  6872  6873
6873  6872  H     -1.789436   13.586341   26.961528     2  6871
6874  6873  H     -2.225471   12.081972   26.981800     2  6871
6875  6874  O     15.458406  -15.486698    4.408784     1  6875  6876
6876  6875  H     15.155537  -15.902322    5.204489     2  6874
6877  6876  H     15.049428  -14.614247    4.405659     2  6874
6878  6877  O     16.575897  -12.451066    4.010771     1  6878  6879
6879  6878  H     16.342168  -11.548391    4.336467     2  6877
6880  6879  H     15.913270  -12.676292    3.380961     2  6877
6881  6880  O     16.573580  -10.663072    8.216975     1  6881  6882
6882  6881  H     16.986512  -11.286380    8.836338     2  6880
6883  6882  H     15.900675  -11.149979    7.746821     2  6880
6884  6883  O     18.015807  -12.984107    9.594269     1  6884  6885
6885  6884  H     18.240011  -13.893199    9.923547     2  6883
6886  6885  H     18.662147  -12.447439   10.005499     2  6883
6887  6886  O     12.061071  -11.599787   -6.295574     1  6887  6888
6888  6887  H     12.828642  -11.394856   -6.842386     2  6886
6889  6888  H     12.361021  -11.595824   -5.358474     2  6886
6890  6889  O     14.136342  -11.405145    6.783159     1  6890  6891
6891  6890  H     13.518831  -10.696102    7.056106     2  6889
6892  6891  H     14.255474  -11.175151    5.873605     2  6889
6893  6892  O     14.185656  -11.863494   -7.889917     1  6893  6894
6894  6893  H     14.012105  -12.533848   -8.540371     2  6892
6895  6894  H     15.118448  -11.714843   -7.976599     2  6892
6896  6895  O     12.806202  -15.736388   -0.697319     1  6896  6897
6897  6896  H     12.587229  -15.541991   -1.641571     2  6895
6898  6897  H     13.302737  -16.531455   -0.723395     2  6895
6899  6898  O     19.699134  -13.022764    7.078985     1  6899  6900
6900  6899  H     19.512571  -13.853808    6.569723     2  6898
6901  6900  H     19.154310  -13.050987    7.884951     2  6898
6902  6901  O     13.526078  -14.607552   -6.672382     1  6902  6903
6903  6902  H     14.336222  -14.984397   -7.095867     2  6901
6904  6903  H     13.406362  -13.735914   -7.034763     2  6901
6905  6904  O    -16.046106    6.486171   18.534884     1  6905  6906
6906  6905  H    -17.010914    6.650887   18.502521     2  6904
6907  6906  H    -15.687059    6.640235   19.372692     2  6904
6908  6907  O     20.219080  -13.111395   -4.429141     1  6908  6909
6909  6908  H     19.594272  -13.381721   -3.787260     2  6907
6910  6909  H     21.008690  -12.841730   -3.928372     2  6907
6911  6910  O     18.955693  -13.308871    2.038708     1  6911  6912
6912  6911  H     18.745789  -12.806331    2.850415     2  6910
6913  6912  H     18.192815  -13.889643    1.871488     2  6910
6914  6913  O     -3.263386   17.333808  -18.989833     1  6914  6915
6915  6914  H     -2.897600   16.953642  -19.806622     2  6913
6916  6915  H     -2.883587   16.787681  -18.287544     2  6913
6917  6916  O     14.584287  -20.836358   -0.283941     1  6917  6918
6918  6917  H     14.422232  -21.686816   -0.725683     2  6916
6919  6918  H     14.216973  -20.994983    0.613878     2  6916
6920  6919  O     13.832902  -23.677032    0.799868     1  6920  6921
6921  6920  H     14.755533  -23.815217    0.758928     2  6919
6922  6921  H     13.462214  -23.709968   -0.069651     2  6919
6923  6922  O     12.647359  -14.340086    5.329627     1  6923  6924
6924  6923  H     12.239105  -15.147202    5.051423     2  6922
6925  6924  H     12.040425  -13.623626    5.533371     2  6922
6926  6925  O     18.661916  -10.098582   -1.707715     1  6926  6927
6927  6926  H     18.674757  -10.197599   -2.721526     2  6925
6928  6927  H     17.708734  -10.152090   -1.555675     2  6925
6929  6928  O     14.211944  -18.022004   -0.662156     1  6929  6930
6930  6929  H     13.953202  -18.980855   -0.687981     2  6928
6931  6930  H     15.059216  -18.083758   -0.194433     2  6928
6932  6931  O     26.310203   -9.146052    1.929239     1  6932  6933
6933  6932  H     26.958986   -8.929610    2.624425     2  6931
6934  6933  H     25.598095   -9.550582    2.435699     2  6931
6935  6934  O     12.291690  -15.530074   -3.506363     1  6935  6936
6936  6935  H     12.696234  -15.355040   -4.335560     2  6934
6937  6936  H     12.088915  -16.491594   -3.491698     2  6934
6938  6937  O     13.059284  -10.244597    2.792489     1  6938  6939
6939  6938  H     13.649862  -10.987042    2.958041     2  6937
6940  6939  H     12.648838  -10.083686    3.633461     2  6937
6941  6940  O     21.636539   -8.535656   -3.562222     1  6941  6942
6942  6941  H     22.423103   -8.986726   -3.235015     2  6940
6943  6942  H     20.877669   -8.790767   -3.066064     2  6940
6944  6943  O     10.812704  -23.405433   -4.415577     1  6944  6945
6945  6944  H     11.399326  -24.068916   -3.950875     2  6943
6946  6945  H     10.570104  -23.863801   -5.186417     2  6943
6947  6946  O     15.299445  -22.247340    3.807806     1  6947  6948
6948  6947  H     14.462164  -22.119554    4.282583     2  6946
6949  6948  H     15.027333  -21.812488    2.950235     2  6946
6950  6949  O     10.139847  -11.886779   -2.010291     1  6950  6951
6951  6950  H      9.901120  -12.865581   -2.016791     2  6949
6952  6951  H     10.145464  -11.698518   -1.070824     2  6949
6953  6952  O     17.260331  -13.960378    6.201741     1  6953  6954
6954  6953  H     16.839336  -13.491328    5.438261     2  6952
6955  6954  H     16.431936  -14.122187    6.799254     2  6952
6956  6955  O     10.235645  -12.959095   -7.748870     1  6956  6957
6957  6956  H     10.827258  -12.520032   -7.134426     2  6955
6958  6957  H     10.979184  -13.417339   -8.328414     2  6955
6959  6958  O     12.208363  -10.880727   -3.685216     1  6959  6960
6960  6959  H     11.475872  -11.303922   -3.329989     2  6958
6961  6960  H     11.962793   -9.956590   -3.815935     2  6958
6962  6961  O     12.005153   -9.476222    7.573015     1  6962  6963
6963  6962  H     11.548682   -9.838151    8.342809     2  6961
6964  6963  H     12.438604   -8.654936    7.788048     2  6961
6965  6964  O     11.697873  -11.043042    0.469616     1  6965  6966
6966  6965  H     11.435554  -11.949927    0.721306     2  6964
6967  6966  H     12.153955  -10.663606    1.230058     2  6964
6968  6967  O     -9.180122   15.914894  -14.554599     1  6968  6969
6969  6968  H     -9.971639   16.081845  -15.077970     2  6967
6970  6969  H     -9.195334   15.656204  -13.636636     2  6967
6971  6970  O      8.980311  -12.431418   12.602769     1  6971  6972
6972  6971  H      9.811752  -12.840180   12.812730     2  6970
6973  6972  H      8.643797  -12.050005   13.425688     2  6970
6974  6973  O      8.379806  -16.842026   11.233257     1  6974  6975
6975  6974  H      9.381258  -16.742721   10.994592     2  6973
6976  6975  H      7.928461  -16.096488   10.900907     2  6973
6977  6976  O     13.686066   -6.750935   10.298143     1  6977  6978
6978  6977  H     13.446134   -5.923235   10.742408     2  6976
6979  6978  H     13.403528   -7.435296   10.888641     2  6976
6980  6979  O    -18.411780   16.276097   -6.981399     1  6980  6981
6981  6980  H    -19.259244   16.787695   -7.026402     2  6979
6982  6981  H    -18.517347   15.578535   -6.308985     2  6979
6983  6982  O    -15.448398    6.956356  -17.789178     1  6983  6984
6984  6983  H    -15.789998    7.818939  -17.874516     2  6982
6985  6984  H    -16.092817    6.545900  -17.221419     2  6982
6986  6985  O     13.456664  -10.426423   14.004353     1  6986  6987
6987  6986  H     12.760950  -11.018521   13.627818     2  6985
6988  6987  H     13.861209  -10.853538   14.758195     2  6985
6989  6988  O     17.670312   -9.695274   10.981744     1  6989  6990
6990  6989  H     18.490320  -10.155440   10.615287     2  6988
6991  6990  H     17.429594   -9.049923   10.346303     2  6988
6992  6991  O     12.758041  -13.803688    9.715581     1  6992  6993
6993  6992  H     13.541843  -13.908345    9.193343     2  6991
6994  6993  H     13.064652  -13.830953   10.615262     2  6991
6995  6994  O     10.494595  -13.685317   16.324711     1  6995  6996
6996  6995  H     10.250264  -14.554677   16.554976     2  6994
6997  6996  H     10.865682  -13.279761   17.063031     2  6994
6998  6997  O     11.613478  -13.327067   13.786259     1  6998  6999
6999  6998  H     11.511236  -13.403473   14.733799     2  6997
7000  6999  H     12.476398  -13.470858   13.435835     2  6997
7001  7000  O     16.416995   -7.607501    9.370555     1  7001  7002
7002  7001  H     16.002823   -8.273303    8.923696     2  7000
7003  7002  H     15.707168   -7.002594    9.675183     2  7000
7004  7003  O    -12.635865   12.422846  -16.802699     1  7004  7005
7005  7004  H    -12.755406   11.425727  -16.575719     2  7003
7006  7005  H    -12.440493   12.375437  -17.787757     2  7003
7007  7006  O     10.369549  -16.021440   13.534012     1  7007  7008
7008  7007  H     11.125993  -16.686965   13.409766     2  7006
7009  7008  H     10.799598  -15.171327   13.667264     2  7006
7010  7009  O     13.948399  -13.380922   12.083883     1  7010  7011
7011  7010  H     14.468268  -14.234200   11.943753     2  7009
7012  7011  H     14.640922  -12.698226   12.043402     2  7009
7013  7012  O     18.574455   -7.686471  -13.585726     1  7013  7014
7014  7013  H     18.757254   -7.900784  -14.521318     2  7012
7015  7014  H     18.366487   -8.488549  -13.153839     2  7012
7016  7015  O     14.419952    2.934349  -13.610746     1  7016  7017
7017  7016  H     14.944007    3.060891  -14.454304     2  7015
7018  7017  H     14.691267    3.693405  -13.042553     2  7015
7019  7018  O     12.655393   -1.218669  -17.764843     1  7019  7020
7020  7019  H     12.825849   -0.416368  -18.273279     2  7018
7021  7020  H     13.090986   -0.964741  -16.944497     2  7018
7022  7021  O     10.027172   -3.535013  -21.042256     1  7022  7023
7023  7022  H      9.245222   -3.196621  -20.621981     2  7021
7024  7023  H     10.686691   -3.418314  -20.392462     2  7021
7025  7024  O     11.994655   -3.632306  -19.181928     1  7025  7026
7026  7025  H     12.546935   -2.873752  -18.897490     2  7024
7027  7026  H     12.616285   -4.286798  -19.420353     2  7024
7028  7027  O     22.007860    2.486696  -12.576286     1  7028  7029
7029  7028  H     21.258602    1.930763  -12.542951     2  7027
7030  7029  H     22.312681    2.387713  -13.508190     2  7027
7031  7030  O     -5.543939  -20.612080   15.230298     1  7031  7032
7032  7031  H     -4.960526  -21.372563   15.275044     2  7030
7033  7032  H     -6.494016  -21.002079   15.266218     2  7030
7034  7033  O     -3.705494  -22.686763   15.089791     1  7034  7035
7035  7034  H     -2.934391  -22.458950   14.508595     2  7033
7036  7035  H     -3.778539  -23.688372   14.917991     2  7033
7037  7036  O    -18.441014  -20.360770    1.757252     1  7037  7038
7038  7037  H    -17.666981  -20.845209    1.462626     2  7036
7039  7038  H    -19.157585  -20.517769    1.092070     2  7036
7040  7039  O     11.767353    3.031580  -15.085435     1  7040  7041
7041  7040  H     10.933504    2.667594  -14.816940     2  7039
7042  7041  H     12.467766    2.609009  -14.539697     2  7039
7043  7042  O     22.619841    1.710598  -15.369777     1  7043  7044
7044  7043  H     21.819227    1.102487  -15.376076     2  7042
7045  7044  H     22.353984    2.337266  -16.028951     2  7042
7046  7045  O     15.246443   -3.569421   -9.405187     1  7046  7047
7047  7046  H     14.522367   -3.436804   -8.801415     2  7045
7048  7047  H     15.974748   -3.954667   -8.844086     2  7045
7049  7048  O      8.663835   -8.064156  -20.177820     1  7049  7050
7050  7049  H      9.493293   -7.667492  -20.622515     2  7048
7051  7050  H      8.649047   -8.212371  -19.205498     2  7048
7052  7051  O      9.373416   -7.414800  -17.277193     1  7052  7053
7053  7052  H      9.225483   -6.681069  -16.744868     2  7051
7054  7053  H      9.033974   -8.258511  -16.958641     2  7051
7055  7054  O     10.781514    1.813486  -26.047163     1  7055  7056
7056  7055  H     10.721623    2.345810  -25.239455     2  7054
7057  7056  H     11.429300    1.131466  -25.818277     2  7054
7058  7057  O     14.208057   -4.459023  -20.485715     1  7058  7059
7059  7058  H     14.786122   -3.807488  -20.061180     2  7057
7060  7059  H     14.180127   -4.184781  -21.460272     2  7057
7061  7060  O     14.966013   -3.009054  -16.901423     1  7061  7062
7062  7061  H     14.672603   -2.766331  -17.777516     2  7060
7063  7062  H     15.905455   -2.987440  -16.899995     2  7060
7064  7063  O      7.350671    2.339944  -15.496823     1  7064  7065
7065  7064  H      7.758762    2.719494  -16.311635     2  7063
7066  7065  H      6.855444    1.585069  -15.791611     2  7063
7067  7066  O      8.898230    4.585480  -25.991811     1  7067  7068
7068  7067  H      9.085811    4.737452  -26.915742     2  7066
7069  7068  H      9.704997    4.287255  -25.538270     2  7066
7070  7069  O     19.287839   -2.455402  -15.258543     1  7070  7071
7071  7070  H     18.518948   -2.418793  -14.728532     2  7069
7072  7071  H     19.639919   -3.381100  -15.398372     2  7069
7073  7072  O     14.873943    2.097987  -16.508091     1  7073  7074
7074  7073  H     14.332749    2.808265  -16.984130     2  7072
7075  7074  H     14.267738    1.473074  -16.020537     2  7072
7076  7075  O      7.399665    0.923085  -22.701734     1  7076  7077
7077  7076  H      7.541549    1.085048  -23.622235     2  7075
7078  7077  H      6.812612    1.666419  -22.427015     2  7075
7079  7078  O     -2.787414  -24.892639   13.451798     1  7079  7080
7080  7079  H     -3.317058  -24.393636   12.813922     2  7078
7081  7080  H     -3.222651  -25.764473   13.600287     2  7078
7082  7081  O     12.198615   -7.055963  -18.186402     1  7082  7083
7083  7082  H     12.176566   -7.274143  -19.162375     2  7081
7084  7083  H     11.340718   -7.326698  -17.863124     2  7081
7085  7084  O     12.169278    0.791963  -22.012792     1  7085  7086
7086  7085  H     11.603416    1.464959  -22.512563     2  7084
7087  7086  H     11.809929   -0.137191  -22.038724     2  7084
7088  7087  O     10.827094   -1.471326  -22.754345     1  7088  7089
7089  7088  H     10.219504   -2.153851  -22.438742     2  7087
7090  7089  H     11.139893   -1.729060  -23.651865     2  7087
7091  7090  O     17.788342    3.319514  -18.989413     1  7091  7092
7092  7091  H     18.357071    2.930540  -18.282776     2  7090
7093  7092  H     17.736031    4.215532  -18.689738     2  7090
7094  7093  O     20.642512   -0.122388  -16.343213     1  7094  7095
7095  7094  H     20.969178   -0.444355  -17.236477     2  7093
7096  7095  H     20.345007   -0.899977  -15.894776     2  7093
7097  7096  O     10.118695   -1.857611  -17.013051     1  7097  7098
7098  7097  H     10.951354   -1.444320  -17.180811     2  7096
7099  7098  H     10.332276   -2.808190  -17.278505     2  7096
7100  7099  O     14.361199   -0.647734  -15.693930     1  7100  7101
7101  7100  H     14.854038   -1.464368  -16.024565     2  7099
7102  7101  H     14.038086   -0.941022  -14.790865     2  7099
7103  7102  O     -7.881264  -26.238249    5.721929     1  7103  7104
7104  7103  H     -6.945660  -26.560862    5.820620     2  7102
7105  7104  H     -7.924864  -25.324280    6.053216     2  7102
7106  7105  O     17.400514   -5.342139  -17.164730     1  7106  7107
7107  7106  H     17.703006   -4.464906  -17.263062     2  7105
7108  7107  H     16.829693   -5.427283  -16.405684     2  7105
7109  7108  O     17.874939    0.197710  -14.548599     1  7109  7110
7110  7109  H     17.567927    0.230081  -15.463042     2  7108
7111  7110  H     17.038575    0.023280  -14.032677     2  7108
7112  7111  O     19.728784    0.162903  -12.743579     1  7112  7113
7113  7112  H     19.260694    0.335106  -13.533138     2  7111
7114  7113  H     19.793536   -0.765190  -12.604837     2  7111
7115  7114  O     14.133632   -4.012663  -23.189344     1  7115  7116
7116  7115  H     15.007368   -3.716910  -23.557983     2  7114
7117  7116  H     13.382059   -3.679930  -23.724681     2  7114
7118  7117  O     15.872720    0.551761  -12.646767     1  7118  7119
7119  7118  H     15.364619   -0.229219  -12.654792     2  7117
7120  7119  H     15.205601    1.293091  -12.781334     2  7117
7121  7120  O     11.591657    7.762472  -22.452346     1  7121  7122
7122  7121  H     11.922639    7.214598  -21.737082     2  7120
7123  7122  H     12.329509    7.736087  -23.102305     2  7120
7124  7123  O     15.507224    2.357422  -20.409560     1  7124  7125
7125  7124  H     15.981924    2.767021  -19.622523     2  7123
7126  7125  H     14.787584    1.872173  -20.032835     2  7123
7127  7126  O     16.406275    4.613877  -15.264667     1  7127  7128
7128  7127  H     16.439565    4.592493  -16.234153     2  7126
7129  7128  H     16.886105    5.419110  -15.093328     2  7126
7130  7129  O     17.253593   -4.164094  -11.153404     1  7130  7131
7131  7130  H     16.364805   -4.012380  -10.864609     2  7129
7132  7131  H     17.821497   -3.390609  -10.928062     2  7129
7133  7132  O      7.571993    4.289361  -10.612199     1  7133  7134
7134  7133  H      8.506525    4.083878  -10.357030     2  7132
7135  7134  H      7.659401    4.909882  -11.304222     2  7132
7136  7135  O     17.719100    5.869734  -17.765980     1  7136  7137
7137  7136  H     16.785867    6.117726  -17.851885     2  7135
7138  7137  H     18.302520    6.615676  -17.818824     2  7135
7139  7138  O     25.336833    4.258107   -9.190906     1  7139  7140
7140  7139  H     24.508086    3.914933   -9.463410     2  7138
7141  7140  H     25.766416    3.563221   -8.678645     2  7138
7142  7141  O     19.839344    2.406992  -17.096555     1  7142  7143
7143  7142  H     19.731286    2.973739  -16.267856     2  7141
7144  7143  H     19.945927    1.414990  -16.773017     2  7141
7145  7144  O     13.351638   -8.903116  -16.799532     1  7145  7146
7146  7145  H     13.001979   -8.090401  -17.174975     2  7144
7147  7146  H     12.913744   -9.604811  -17.326954     2  7144
7148  7147  O     10.027149    2.192677  -19.274754     1  7148  7149
7149  7148  H      9.772938    1.485918  -19.902276     2  7147
7150  7149  H      9.245602    2.555556  -18.910265     2  7147
7151  7150  O     -8.717871  -23.863891    6.819078     1  7151  7152
7152  7151  H     -9.393569  -24.283009    7.404898     2  7150
7153  7152  H     -7.981646  -23.546468    7.328273     2  7150
7154  7153  O     17.050165    0.528843  -17.183293     1  7154  7155
7155  7154  H     17.784589    0.959994  -17.550700     2  7153
7156  7155  H     16.375497    1.228287  -17.060120     2  7153
7157  7156  O      8.718992    5.900483  -19.562008     1  7157  7158
7158  7157  H      8.162627    6.547417  -19.972228     2  7156
7159  7158  H      8.877671    5.219345  -20.230453     2  7156
7160  7159  O    -14.136134   25.811888    1.998197     1  7160  7161
7161  7160  H    -13.885343   25.984767    1.109386     2  7159
7162  7161  H    -13.369120   25.397520    2.442044     2  7159
7163  7162  O     10.697107   -5.353864   -9.845979     1  7163  7164
7164  7163  H     10.966580   -6.286884   -9.778535     2  7162
7165  7164  H     11.267428   -5.000319  -10.474354     2  7162
7166  7165  O     15.137853   -0.075200  -22.260626     1  7166  7167
7167  7166  H     14.272025    0.276816  -22.315279     2  7165
7168  7167  H     15.582120    0.521426  -21.676617     2  7165
7169  7168  O      7.006927   -3.190885  -20.149075     1  7169  7170
7170  7169  H      6.937846   -4.146952  -20.058236     2  7168
7171  7170  H      6.505015   -2.865759  -19.414527     2  7168
7172  7171  O      7.741177    7.614608  -16.732617     1  7172  7173
7173  7172  H      7.507501    7.948813  -17.595467     2  7171
7174  7173  H      6.970167    7.195424  -16.364574     2  7171
7175  7174  O    -11.975136   27.853392    0.835766     1  7175  7176
7176  7175  H    -12.123210   28.637364    0.294533     2  7174
7177  7176  H    -12.244655   27.095742    0.273805     2  7174
7178  7177  O     19.549077    6.876349  -12.814008     1  7178  7179
7179  7178  H     18.941768    6.265811  -12.342313     2  7177
7180  7179  H     19.422496    7.711551  -12.347940     2  7177
7181  7180  O     16.060861   -6.226029  -19.648287     1  7181  7182
7182  7181  H     16.717697   -5.694762  -19.158074     2  7180
7183  7182  H     15.296586   -5.647775  -19.712947     2  7180
7184  7183  O     11.438131   -9.907176  -13.068480     1  7184  7185
7185  7184  H     12.208758   -9.406281  -13.468977     2  7183
7186  7185  H     11.066145  -10.469702  -13.820381     2  7183
7187  7186  O      6.091980    3.207743  -21.781202     1  7187  7188
7188  7187  H      5.561622    3.583233  -21.034998     2  7186
7189  7188  H      5.464825    3.337558  -22.507070     2  7186
7190  7189  O     13.495657   -5.404380  -13.487381     1  7190  7191
7191  7190  H     13.603873   -5.042407  -12.623753     2  7189
7192  7191  H     12.746054   -4.982436  -13.875839     2  7189
7193  7192  O     21.311695   -1.252123  -18.805572     1  7193  7194
7194  7193  H     20.688398   -1.215560  -19.563411     2  7192
7195  7194  H     21.526085   -2.203131  -18.774550     2  7192
7196  7195  O     19.641577   -0.925330  -21.013239     1  7196  7197
7197  7196  H     19.893376   -0.033966  -21.364565     2  7195
7198  7197  H     20.325478   -1.466955  -21.465618     2  7195
7199  7198  O     17.447923    7.340510  -14.618830     1  7199  7200
7200  7199  H     18.336177    7.162985  -14.752281     2  7198
7201  7200  H     17.382751    7.802425  -13.820710     2  7198
7202  7201  O     11.367780   -8.538431  -20.847842     1  7202  7203
7203  7202  H     11.891171   -8.516959  -21.672490     2  7201
7204  7203  H     11.034967   -9.455842  -20.769707     2  7201
7205  7204  O     21.697769   -3.384652   -9.654503     1  7205  7206
7206  7205  H     21.754639   -2.859045   -8.807163     2  7204
7207  7206  H     22.532891   -3.696779   -9.919320     2  7204
7208  7207  O      9.440087    9.737388  -16.030774     1  7208  7209
7209  7208  H     10.347501    9.556397  -16.375209     2  7207
7210  7209  H      9.056499    8.907706  -16.286011     2  7207
7211  7210  O      9.151020   -0.056073  -20.923920     1  7211  7212
7212  7211  H      8.698277    0.226260  -21.751989     2  7210
7213  7212  H      9.801024   -0.696373  -21.250647     2  7210
7214  7213  O     13.634082   -8.260944  -13.744954     1  7214  7215
7215  7214  H     13.460989   -7.289818  -13.734245     2  7213
7216  7215  H     13.752385   -8.394073  -14.680944     2  7213
7217  7216  O      7.067055    1.678269   -8.091432     1  7217  7218
7218  7217  H      7.328954    0.781839   -8.171788     2  7216
7219  7218  H      7.810627    2.307152   -8.258747     2  7216
7220  7219  O     -6.396895  -23.150489    8.325622     1  7220  7221
7221  7220  H     -6.468377  -22.646705    9.136291     2  7219
7222  7221  H     -5.589053  -23.738207    8.463610     2  7219
7223  7222  O     12.909809    4.117389  -17.232126     1  7223  7224
7224  7223  H     12.467456    4.216679  -18.071593     2  7222
7225  7224  H     12.348385    3.590455  -16.645815     2  7222
7226  7225  O     10.158360    6.036562  -16.681388     1  7226  7227
7227  7226  H     10.166291    6.173551  -15.721826     2  7225
7228  7227  H      9.300428    6.196178  -16.992057     2  7225
7229  7228  O     13.953340    6.581332  -14.713002     1  7229  7230
7230  7229  H     14.418671    6.209915  -13.928209     2  7228
7231  7230  H     13.985439    7.565377  -14.675468     2  7228
7232  7231  O     14.946423    7.144703  -10.055441     1  7232  7233
7233  7232  H     15.330990    6.579001   -9.431675     2  7231
7234  7233  H     15.616316    7.820730  -10.244455     2  7231
7235  7234  O      9.199052    6.551722  -12.045604     1  7235  7236
7236  7235  H      9.977178    6.117635  -12.442872     2  7234
7237  7236  H      9.448835    6.835713  -11.179835     2  7234
7238  7237  O     16.110835   -6.091301  -14.674923     1  7238  7239
7239  7238  H     15.286127   -5.975300  -14.219763     2  7237
7240  7239  H     16.775126   -6.462983  -14.068092     2  7237
7241  7240  O      8.862028    4.362538  -22.100148     1  7241  7242
7242  7241  H      8.310089    3.596860  -22.062990     2  7240
7243  7242  H      8.592291    5.003260  -22.779371     2  7240
7244  7243  O     15.140833    5.493749  -12.383690     1  7244  7245
7245  7244  H     14.991821    6.269599  -11.809037     2  7243
7246  7245  H     16.114735    5.359825  -12.335372     2  7243
7247  7246  O    -16.758400   23.882482   -0.702168     1  7247  7248
7248  7247  H    -16.790881   24.183847   -1.608614     2  7246
7249  7248  H    -15.935111   23.416405   -0.643187     2  7246
7250  7249  O     17.786026    5.059509  -11.697483     1  7250  7251
7251  7250  H     17.649900    4.901408  -10.790017     2  7249
7252  7251  H     18.087851    4.240872  -12.101742     2  7249
7253  7252  O     17.065463   -3.502975  -13.933202     1  7253  7254
7254  7253  H     17.335578   -3.627864  -12.975703     2  7252
7255  7254  H     16.910438   -4.397804  -14.376656     2  7252
7256  7255  O     10.608960   -5.149613  -13.247667     1  7256  7257
7257  7256  H     10.191550   -5.864829  -12.723536     2  7255
7258  7257  H     10.430758   -4.363276  -12.790706     2  7255
7259  7258  O     15.600315   -2.183677  -19.967651     1  7259  7260
7260  7259  H     15.341437   -1.438633  -20.543424     2  7258
7261  7260  H     16.497054   -2.371488  -20.228949     2  7258
7262  7261  O     19.884340   -2.791308  -12.014328     1  7262  7263
7263  7262  H     20.131227   -3.610358  -12.494791     2  7261
7264  7263  H     20.272062   -2.868700  -11.106246     2  7261
7265  7264  O     19.375551    6.441124   -9.829499     1  7265  7266
7266  7265  H     19.883395    5.827646  -10.418943     2  7264
7267  7266  H     19.990793    7.176481   -9.653259     2  7264
7268  7267  O     11.298082    4.680455  -19.274054     1  7268  7269
7269  7268  H     10.567873    5.251843  -18.933863     2  7267
7270  7269  H     10.808803    3.921818  -19.681576     2  7267
7271  7270  O     12.803478   -5.136942  -16.449298     1  7271  7272
7272  7271  H     13.513009   -4.442256  -16.519651     2  7270
7273  7272  H     12.771919   -5.583410  -17.301219     2  7270
7274  7273  O     11.266631    5.671540  -13.884201     1  7274  7275
7275  7274  H     11.363260    4.746081  -14.010135     2  7273
7276  7275  H     12.125287    6.085497  -14.165182     2  7273
7277  7276  O     15.049449    3.830288  -22.891893     1  7277  7278
7278  7277  H     14.248719    4.261024  -22.599868     2  7276
7279  7278  H     15.373444    3.357505  -22.081648     2  7276
7280  7279  O     14.802106   -1.872237  -13.325136     1  7280  7281
7281  7280  H     14.308582   -2.356200  -12.630534     2  7279
7282  7281  H     15.603199   -2.365065  -13.539312     2  7279
7283  7282  O     11.098560    3.371057  -23.614709     1  7283  7284
7284  7283  H     11.549159    4.244713  -23.739663     2  7282
7285  7284  H     10.286952    3.553515  -23.151464     2  7282
7286  7285  O     12.784766   -2.816362   -7.561676     1  7286  7287
7287  7286  H     12.188731   -2.743665   -8.323198     2  7285
7288  7287  H     12.282664   -2.727617   -6.753915     2  7285
7289  7288  O      9.961378    9.619602  -19.473228     1  7289  7290
7290  7289  H      9.084336    9.285544  -19.611785     2  7288
7291  7290  H     10.354863    9.080598  -18.740701     2  7288
7292  7291  O     10.425261   -6.215114  -21.748256     1  7292  7293
7293  7292  H     11.341311   -6.225247  -22.098631     2  7291
7294  7293  H     10.474528   -5.445981  -21.135864     2  7291
7295  7294  O     14.905839   -9.185245   -6.593472     1  7295  7296
7296  7295  H     15.822144   -8.943959   -6.501181     2  7294
7297  7296  H     14.599152   -8.904751   -7.460181     2  7294
7298  7297  O     13.030904    1.448683  -19.560843     1  7298  7299
7299  7298  H     12.435692    2.050909  -19.105109     2  7297
7300  7299  H     12.574721    1.353848  -20.453335     2  7297
7301  7300  O    -14.982606  -22.742316    3.714486     1  7301  7302
7302  7301  H    -14.697623  -22.065833    4.346776     2  7300
7303  7302  H    -14.951005  -22.307274    2.853478     2  7300
7304  7303  O     20.539335    4.271531  -15.163811     1  7304  7305
7305  7304  H     20.193120    4.210266  -14.303871     2  7303
7306  7305  H     21.476650    4.376920  -15.079572     2  7303
7307  7306  O    -12.152664  -25.413425    2.720117     1  7307  7308
7308  7307  H    -11.473721  -26.148571    2.756611     2  7306
7309  7308  H    -12.188893  -24.967495    3.568393     2  7306
7310  7309  O     18.195644    3.028290  -13.755633     1  7310  7311
7311  7310  H     17.679557    3.636470  -14.368716     2  7309
7312  7311  H     17.955199    2.087221  -13.940785     2  7309
7313  7312  O      5.940834    7.538328   -9.110062     1  7313  7314
7314  7313  H      5.923338    6.744186   -9.660695     2  7312
7315  7314  H      5.582841    7.349696   -8.263075     2  7312
7316  7315  O     25.438322    1.319399  -10.564734     1  7316  7317
7317  7316  H     24.765160    1.693234   -9.992071     2  7315
7318  7317  H     25.796263    2.107045  -11.102840     2  7315
7319  7318  O     13.000697   -4.110496  -11.209620     1  7319  7320
7320  7319  H     13.689158   -4.330459  -10.510661     2  7318
7321  7320  H     13.001437   -3.139570  -11.276637     2  7318
7322  7321  O      7.937466    3.428735  -17.953312     1  7322  7323
7323  7322  H      7.221878    2.999607  -18.390421     2  7321
7324  7323  H      7.860510    4.389101  -18.102063     2  7321
7325  7324  O     27.321565    3.479454    0.005220     1  7325  7326
7326  7325  H     27.221127    4.342947    0.400758     2  7324
7327  7326  H     28.040299    3.591209   -0.616088     2  7324
7328  7327  O     17.655050   -8.839330    6.333439     1  7328  7329
7329  7328  H     18.446136   -9.147366    5.899670     2  7327
7330  7329  H     17.375972   -9.544085    6.922394     2  7327
7331  7330  O     13.626344    0.780233    9.754051     1  7331  7332
7332  7331  H     14.158872    0.971043    8.968185     2  7330
7333  7332  H     12.858911    1.284211    9.603219     2  7330
7334  7333  O     25.064408    2.560521   -6.841521     1  7334  7335
7335  7334  H     25.000958    2.161436   -5.955576     2  7333
7336  7335  H     24.208409    2.435550   -7.272806     2  7333
7337  7336  O     25.976802    5.893240    1.011053     1  7337  7338
7338  7337  H     25.078174    5.850693    1.361560     2  7336
7339  7338  H     26.575354    6.297205    1.663679     2  7336
7340  7339  O     13.814450  -11.346023   -1.372777     1  7340  7341
7341  7340  H     13.449141  -11.191887   -2.240929     2  7339
7342  7341  H     13.136375  -11.138722   -0.703208     2  7339
7343  7342  O     12.583331   -2.421179    4.562376     1  7343  7344
7344  7343  H     11.917243   -2.832876    5.151096     2  7342
7345  7344  H     12.632000   -1.534491    4.896329     2  7342
7346  7345  O     17.558588    6.257469   -2.941428     1  7346  7347
7347  7346  H     16.891031    5.746569   -2.509987     2  7345
7348  7347  H     18.369244    5.850089   -2.593734     2  7345
7349  7348  O     11.184553    2.284187   -4.324354     1  7349  7350
7350  7349  H     12.104573    2.404621   -4.040318     2  7348
7351  7350  H     11.048090    1.426803   -4.662701     2  7348
7352  7351  O     13.662718   -5.286306   -0.812342     1  7352  7353
7353  7352  H     13.602724   -6.133970   -0.358901     2  7351
7354  7353  H     13.705156   -4.702776   -0.054453     2  7351
7355  7354  O    -26.265749    3.588597    4.872526     1  7355  7356
7356  7355  H    -26.225328    4.540514    4.729670     2  7354
7357  7356  H    -27.091675    3.270378    4.410362     2  7354
7358  7357  O     17.768509    3.601715   -9.239904     1  7358  7359
7359  7358  H     18.586085    3.576495   -8.679845     2  7357
7360  7359  H     17.752753    2.677342   -9.672670     2  7357
7361  7360  O     15.279380    8.413066    4.004450     1  7361  7362
7362  7361  H     15.697268    8.464646    3.150270     2  7360
7363  7362  H     15.727459    7.649085    4.438248     2  7360
7364  7363  O     23.013350    7.246562    7.256211     1  7364  7365
7365  7364  H     23.304565    6.365692    7.009122     2  7363
7366  7365  H     22.441526    7.512836    6.550726     2  7363
7367  7366  O     21.188793    6.707654   -3.121938     1  7367  7368
7368  7367  H     20.774396    6.463309   -2.285445     2  7366
7369  7368  H     21.264815    7.732856   -3.065601     2  7366
7370  7369  O     25.589940    5.391694    4.292957     1  7370  7371
7371  7370  H     26.349654    5.983808    4.081758     2  7369
7372  7371  H     24.830545    5.754927    3.798502     2  7369
7373  7372  O     10.077343    6.854612   -5.618313     1  7373  7374
7374  7373  H     10.307473    7.802097   -5.310144     2  7372
7375  7374  H      9.547355    7.063184   -6.386485     2  7372
7376  7375  O     14.272106    1.063222    7.151996     1  7376  7377
7377  7376  H     13.745854    0.443505    6.577113     2  7375
7378  7377  H     13.998613    1.912998    6.720387     2  7375
7379  7378  O     24.431829   -0.227911    3.498556     1  7379  7380
7380  7379  H     24.931036   -0.184062    2.647638     2  7378
7381  7380  H     24.612115   -1.030587    3.898429     2  7378
7382  7381  O     14.792493   -1.953782    8.184330     1  7382  7383
7383  7382  H     14.967744   -2.780891    8.734878     2  7381
7384  7383  H     13.907156   -1.648020    8.415504     2  7381
7385  7384  O     20.292952    9.228307   -2.388746     1  7385  7386
7386  7385  H     20.712622   10.010315   -2.092402     2  7384
7387  7386  H     19.450596    9.262968   -1.973956     2  7384
7388  7387  O     10.839893   -3.588139   -0.164714     1  7388  7389
7389  7388  H     10.941583   -3.314104    0.740082     2  7387
7390  7389  H      9.860980   -3.639426   -0.165820     2  7387
7391  7390  O     12.580966   -8.472940    0.630606     1  7391  7392
7392  7391  H     11.824587   -8.576890    1.191842     2  7390
7393  7392  H     12.309528   -8.370178   -0.345395     2  7390
7394  7393  O     10.536651    0.983301   -6.972390     1  7394  7395
7395  7394  H     11.250025    1.061090   -7.651130     2  7393
7396  7395  H      9.773299    0.538357   -7.385696     2  7393
7397  7396  O     22.957005   -8.069766   -6.211673     1  7397  7398
7398  7397  H     23.081543   -9.050066   -6.341086     2  7396
7399  7398  H     22.581273   -7.965153   -5.317116     2  7396
7400  7399  O     15.911256   -5.795711    0.981895     1  7400  7401
7401  7400  H     16.379650   -5.453140    0.238575     2  7399
7402  7401  H     15.331089   -5.047032    1.296491     2  7399
7403  7402  O     18.544624   -3.889650    6.492165     1  7403  7404
7404  7403  H     17.801110   -4.498080    6.347253     2  7402
7405  7404  H     18.185999   -3.193540    7.088571     2  7402
7406  7405  O    -26.251097   -2.889227   -4.905774     1  7406  7407
7407  7406  H    -26.642488   -2.216274   -4.359029     2  7405
7408  7407  H    -26.690128   -2.922112   -5.742916     2  7405
7409  7408  O     20.250800    7.797463    1.352372     1  7409  7410
7410  7409  H     20.932692    8.474126    1.343745     2  7408
7411  7410  H     19.749025    7.890063    2.209757     2  7408
7412  7411  O     -2.364109  -17.859062  -17.648634     1  7412  7413
7413  7412  H     -2.552392  -18.055498  -18.575170     2  7411
7414  7413  H     -3.271010  -17.919012  -17.175627     2  7411
7415  7414  O    -27.717792    8.601744   -3.435383     1  7415  7416
7416  7415  H    -27.345259    8.404781   -4.336054     2  7414
7417  7416  H    -28.622522    8.860521   -3.602857     2  7414
7418  7417  O     10.574357    0.794569    7.454617     1  7418  7419
7419  7418  H      9.887487    1.398811    7.192678     2  7417
7420  7419  H     11.006986    1.155172    8.283432     2  7417
7421  7420  O     20.187871    3.406944   -7.191465     1  7421  7422
7422  7421  H     20.903687    2.737549   -7.262751     2  7420
7423  7422  H     20.703561    4.148479   -6.851616     2  7420
7424  7423  O    -27.454758   -8.255515    3.653048     1  7424  7425
7425  7424  H    -26.666725   -7.938808    3.312025     2  7423
7426  7425  H    -27.765918   -7.515941    4.214818     2  7423
7427  7426  O      7.476836    5.401371   -6.038352     1  7427  7428
7428  7427  H      6.501650    5.373983   -6.032063     2  7426
7429  7428  H      7.740843    6.116863   -5.405707     2  7426
7430  7429  O     21.078526   -5.174772    5.653260     1  7430  7431
7431  7430  H     20.348450   -4.819943    6.186972     2  7429
7432  7431  H     20.735262   -5.453002    4.806754     2  7429
7433  7432  O     24.676394   -5.947456    3.745418     1  7433  7434
7434  7433  H     25.599719   -5.689120    4.106482     2  7432
7435  7434  H     24.375470   -6.645849    4.305614     2  7432
7436  7435  O     25.730272   -5.439650   -3.455090     1  7436  7437
7437  7436  H     26.073515   -6.338712   -3.635360     2  7435
7438  7437  H     25.806568   -5.036651   -4.298985     2  7435
7439  7438  O     13.929714   -3.410367    1.339004     1  7439  7440
7440  7439  H     14.287892   -2.564432    0.942021     2  7438
7441  7440  H     13.001170   -3.269039    1.542177     2  7438
7442  7441  O      9.266305    0.085814   -0.549549     1  7442  7443
7443  7442  H      9.234928   -0.310932    0.344856     2  7441
7444  7443  H      9.555189    0.976393   -0.406672     2  7441
7445  7444  O     25.411465    1.064366    5.741285     1  7445  7446
7446  7445  H     25.115144    0.555958    4.984126     2  7444
7447  7446  H     26.297388    0.806715    6.034483     2  7444
7448  7447  O     15.647997   -2.308499   -2.068321     1  7448  7449
7449  7448  H     15.288976   -1.637112   -1.453339     2  7447
7450  7449  H     15.922122   -3.130686   -1.587423     2  7447
7451  7450  O     18.342174    3.328034   -5.137160     1  7451  7452
7452  7451  H     18.889583    3.121381   -5.927484     2  7450
7453  7452  H     18.846527    4.019463   -4.710688     2  7450
7454  7453  O     20.653934    2.150622   -2.060505     1  7454  7455
7455  7454  H     20.802585    1.317005   -2.508151     2  7453
7456  7455  H     20.490776    2.027262   -1.112479     2  7453
7457  7456  O     19.545381    4.766585   -1.735822     1  7457  7458
7458  7457  H     19.745947    4.890037   -0.771590     2  7456
7459  7458  H     19.911234    3.875375   -2.045852     2  7456
7460  7459  O     11.572920   -1.432509   -1.830152     1  7460  7461
7461  7460  H     11.754298   -2.243779   -1.280856     2  7459
7462  7461  H     10.647518   -1.184710   -1.611094     2  7459
7463  7462  O     15.566516    4.598996   -1.461714     1  7463  7464
7464  7463  H     14.943115    5.014998   -0.819943     2  7462
7465  7464  H     15.000566    3.997823   -1.895745     2  7462
7466  7465  O     25.719976   -3.048666   -8.191402     1  7466  7467
7467  7466  H     25.270404   -3.393252   -9.009394     2  7465
7468  7467  H     25.884913   -2.113545   -8.247816     2  7465
7469  7468  O    -26.862852   -0.467482    2.773109     1  7469  7470
7470  7469  H    -26.338552   -0.330769    1.977087     2  7468
7471  7470  H    -27.703088    0.011991    2.680963     2  7468
7472  7471  O     23.297182   -1.161203    6.396245     1  7472  7473
7473  7472  H     23.819836   -0.332037    6.337335     2  7471
7474  7473  H     22.399609   -0.866820    6.129221     2  7471
7475  7474  O     10.139356   -1.534916   10.479671     1  7475  7476
7476  7475  H      9.378361   -1.013300   10.212175     2  7474
7477  7476  H     10.558833   -0.991169   11.176822     2  7474
7478  7477  O     11.852285   -1.826880    8.298631     1  7478  7479
7479  7478  H     11.508885   -1.854983    9.134826     2  7477
7480  7479  H     11.475155   -0.993364    7.871483     2  7477
7481  7480  O     19.870159   -0.709588    0.124031     1  7481  7482
7482  7481  H     19.650287    0.244689   -0.004885     2  7480
7483  7482  H     20.822757   -0.798529    0.088519     2  7480
7484  7483  O     21.895033   -8.152507    2.427058     1  7484  7485
7485  7484  H     22.225264   -7.237539    2.458192     2  7483
7486  7485  H     21.320936   -8.145211    1.672733     2  7483
7487  7486  O     19.632799  -10.533510    5.455710     1  7487  7488
7488  7487  H     19.179405  -11.124825    6.027056     2  7486
7489  7488  H     20.579809  -10.768535    5.436221     2  7486
7490  7489  O     20.937403   -0.324996    5.244391     1  7490  7491
7491  7490  H     20.418091   -0.055416    5.992984     2  7489
7492  7491  H     20.256167   -0.836066    4.744456     2  7489
7493  7492  O     19.096519    0.325487    7.381106     1  7493  7494
7494  7493  H     18.300523    0.865929    7.202140     2  7492
7495  7494  H     19.410010    0.541141    8.328869     2  7492
7496  7495  O     16.679605    0.300487   -8.261020     1  7496  7497
7497  7496  H     17.257043   -0.288984   -7.754737     2  7495
7498  7497  H     17.128145    0.522010   -9.067596     2  7495
7499  7498  O     21.114486   -2.348510   -7.024893     1  7499  7500
7500  7499  H     21.160637   -1.429912   -6.681540     2  7498
7501  7500  H     21.549189   -2.986534   -6.394166     2  7498
7502  7501  O     17.842241   -0.610088    2.364011     1  7502  7503
7503  7502  H     18.085677   -1.286554    3.051802     2  7501
7504  7503  H     18.599153   -0.550573    1.757742     2  7501
7505  7504  O      0.673606  -20.118758   17.755060     1  7505  7506
7506  7505  H     -0.189195  -20.393932   18.136090     2  7504
7507  7506  H      1.345435  -20.156249   18.471402     2  7504
7508  7507  O     10.742625    6.750875   -1.724611     1  7508  7509
7509  7508  H     10.606151    6.046359   -2.364335     2  7507
7510  7509  H     11.625369    7.168042   -1.879732     2  7507
7511  7510  O     16.705294    1.449344   -3.499255     1  7511  7512
7512  7511  H     17.510068    1.801455   -3.855300     2  7510
7513  7512  H     17.026750    0.707787   -2.923139     2  7510
7514  7513  O     21.180825    5.402794    0.529399     1  7514  7515
7515  7514  H     21.110949    4.837378    1.311872     2  7513
7516  7515  H     21.036108    6.233708    0.901448     2  7513
7517  7516  O     21.790915   -0.044542   -3.143200     1  7517  7518
7518  7517  H     22.517909    0.165626   -2.493198     2  7516
7519  7518  H     21.560934   -0.988631   -3.005634     2  7516
7520  7519  O     17.718859   -1.820054    8.262560     1  7520  7521
7521  7520  H     16.764460   -1.707000    8.405165     2  7519
7522  7521  H     17.959742   -1.042956    7.830343     2  7519
7523  7522  O      9.815965   -2.402304   -6.306981     1  7523  7524
7524  7523  H     10.526168   -1.979197   -5.799515     2  7522
7525  7524  H     10.060595   -3.332210   -6.486146     2  7522
7526  7525  O     23.239450    5.403565   -1.305768     1  7526  7527
7527  7526  H     22.717545    5.805166   -2.024263     2  7525
7528  7527  H     22.518381    5.199966   -0.632401     2  7525
7529  7528  O     23.094295   -0.312761   -8.990210     1  7529  7530
7530  7529  H     23.070346   -0.471611   -9.927162     2  7528
7531  7530  H     24.038304   -0.403601   -8.707648     2  7528
7532  7531  O     11.376005    7.060409    6.618052     1  7532  7533
7533  7532  H     10.661842    7.698270    6.899479     2  7531
7534  7533  H     11.770957    7.302026    5.786468     2  7531
7535  7534  O     27.191220   -6.268200    5.095311     1  7535  7536
7536  7535  H     27.795565   -5.529299    5.342746     2  7534
7537  7536  H     26.706076   -6.461261    5.935637     2  7534
7538  7537  O     17.097343    4.166519    4.527869     1  7538  7539
7539  7538  H     16.664299    3.310030    4.327172     2  7537
7540  7539  H     16.993579    4.641718    3.703917     2  7537
7541  7540  O    -27.708836    2.160141    9.020604     1  7541  7542
7542  7541  H    -28.574388    2.460181    9.289974     2  7540
7543  7542  H    -27.258310    2.991855    8.721685     2  7540
7544  7543  O     19.762837    2.071083    0.562499     1  7544  7545
7545  7544  H     19.840995    2.003172    1.503096     2  7543
7546  7545  H     18.947730    2.484021    0.278936     2  7543
7547  7546  O     -0.736311   18.011417  -21.844981     1  7547  7548
7548  7547  H     -0.678982   18.699324  -22.457127     2  7546
7549  7548  H     -1.059236   17.263157  -22.371571     2  7546
7550  7549  O     22.996096   -3.413135    0.400346     1  7550  7551
7551  7550  H     22.935641   -3.854787    1.246836     2  7549
7552  7551  H     23.283732   -4.096741   -0.246334     2  7549
7553  7552  O     17.477147  -12.777196   -5.976442     1  7553  7554
7554  7553  H     18.314366  -12.694868   -5.451261     2  7552
7555  7554  H     16.804573  -12.410288   -5.382166     2  7552
7556  7555  O     14.948535   -8.292996    1.749622     1  7556  7557
7557  7556  H     15.031512   -7.369343    1.375123     2  7555
7558  7557  H     14.038355   -8.465028    1.568247     2  7555
7559  7558  O     21.469082    8.396866    4.959876     1  7559  7560
7560  7559  H     20.883580    7.813918    4.435345     2  7558
7561  7560  H     22.074201    8.700711    4.287679     2  7558
7562  7561  O      8.771775    8.075828   -7.674955     1  7562  7563
7563  7562  H      8.995477    9.027434   -7.795118     2  7561
7564  7563  H      8.079633    7.931453   -8.379538     2  7561
7565  7564  O     16.905812    1.567204    6.248705     1  7565  7566
7566  7565  H     16.850133    1.268975    5.291840     2  7564
7567  7566  H     16.060938    1.379079    6.666929     2  7564
7568  7567  O     17.215297    3.220668    0.492427     1  7568  7569
7569  7568  H     16.709590    3.469761   -0.316802     2  7567
7570  7569  H     16.711162    3.742446    1.118725     2  7567
7571  7570  O     12.479485   -6.950643   -6.663117     1  7571  7572
7572  7571  H     12.002606   -6.152607   -6.554883     2  7570
7573  7572  H     12.095244   -7.290101   -7.515653     2  7570
7574  7573  O     19.942949   -5.295349   -8.588782     1  7574  7575
7575  7574  H     20.307645   -5.828172   -7.890863     2  7573
7576  7575  H     20.622578   -4.685842   -8.922222     2  7573
7577  7576  O     23.421125    8.581543   -5.389145     1  7577  7578
7578  7577  H     23.757685    8.307454   -6.219179     2  7576
7579  7578  H     23.551144    9.559562   -5.278916     2  7576
7580  7579  O     18.313491    9.931070   -5.302223     1  7580  7581
7581  7580  H     19.114364    9.594608   -5.674469     2  7579
7582  7581  H     18.114231    9.458277   -4.463658     2  7579
7583  7582  O     15.391541  -11.439408   -4.600684     1  7583  7584
7584  7583  H     14.687224  -11.165886   -5.184028     2  7582
7585  7584  H     15.703500  -10.601528   -4.208454     2  7582
7586  7585  O     19.042113   -2.553588    4.136419     1  7586  7587
7587  7586  H     18.934399   -2.989821    5.010153     2  7585
7588  7587  H     19.555201   -3.103741    3.549522     2  7585
7589  7588  O     27.431562   -8.263487   -1.270383     1  7589  7590
7590  7589  H     26.798921   -8.338028   -1.999063     2  7588
7591  7590  H     27.385809   -7.317729   -1.006817     2  7588
7592  7591  O     11.048430    6.975916    2.071038     1  7592  7593
7593  7592  H     10.098026    7.042596    1.896106     2  7591
7594  7593  H     11.387221    6.341124    1.432435     2  7591
7595  7594  O     17.254797   -4.497309   -0.979929     1  7595  7596
7596  7595  H     17.974861   -3.898733   -0.597433     2  7594
7597  7596  H     17.798817   -5.178718   -1.467250     2  7594
7598  7597  O     23.076536    3.017666   -9.992981     1  7598  7599
7599  7598  H     22.739611    2.428722   -9.367486     2  7597
7600  7599  H     22.814368    2.757092  -10.917370     2  7597
7601  7600  O     26.474996   -3.467321    3.420832     1  7601  7602
7602  7601  H     26.320387   -3.036389    4.310907     2  7600
7603  7602  H     27.426348   -3.464072    3.179201     2  7600
7604  7603  O      5.381878    1.933519   -5.919249     1  7604  7605
7605  7604  H      6.045369    1.936166   -6.579379     2  7603
7606  7605  H      5.096371    2.824542   -6.077543     2  7603
7607  7606  O     15.695693   -4.972988    8.209733     1  7607  7608
7608  7607  H     16.180974   -5.551446    7.574091     2  7606
7609  7608  H     14.952242   -4.627035    7.741019     2  7606
7610  7609  O     15.863992    4.264791   -5.618959     1  7610  7611
7611  7610  H     15.192764    3.800753   -5.181143     2  7609
7612  7611  H     16.680622    3.840751   -5.401925     2  7609
7613  7612  O     11.314164   -2.306707    2.177106     1  7613  7614
7614  7613  H     11.658147   -2.269640    3.045694     2  7612
7615  7614  H     10.477066   -1.806872    2.115809     2  7612
7616  7615  O      7.922856    6.419190    2.013705     1  7616  7617
7617  7616  H      7.670492    7.173408    2.458691     2  7615
7618  7617  H      7.785537    5.672676    2.570249     2  7615
7619  7618  O     24.106985    0.668245   -1.872428     1  7619  7620
7620  7619  H     24.790684    0.106739   -2.184953     2  7618
7621  7620  H     24.292137    1.598804   -2.033589     2  7618
7622  7621  O     21.331921    4.961776  -11.490119     1  7622  7623
7623  7622  H     21.337049    4.016344  -11.580824     2  7621
7624  7623  H     22.209549    5.305661  -11.203036     2  7621
7625  7624  O     10.324249   -5.031829   -6.558374     1  7625  7626
7626  7625  H     10.384574   -5.157429   -7.514030     2  7624
7627  7626  H      9.495338   -5.491151   -6.338571     2  7624
7628  7627  O     12.396675    1.593822   -8.908115     1  7628  7629
7629  7628  H     13.116839    1.171102   -8.367287     2  7627
7630  7629  H     12.431144    2.570806   -8.762277     2  7627
7631  7630  O     26.063446   -0.470609   -8.818311     1  7631  7632
7632  7631  H     26.565947    0.260114   -8.495930     2  7630
7633  7632  H     26.305249   -0.382125   -9.754589     2  7630
7634  7633  O     17.324753   -7.910308   -5.480422     1  7634  7635
7635  7634  H     18.242017   -7.888990   -5.752850     2  7633
7636  7635  H     17.126937   -6.975291   -5.382974     2  7633
7637  7636  O     20.170126    7.548090    7.881376     1  7637  7638
7638  7637  H     19.317304    7.134262    7.980100     2  7636
7639  7638  H     20.467000    7.900588    8.743431     2  7636
7640  7639  O     12.356324   -1.489647   -4.648797     1  7640  7641
7641  7640  H     13.226250   -1.095307   -4.615067     2  7639
7642  7641  H     12.096175   -1.621493   -3.710563     2  7639
7643  7642  O     18.383963   -7.085403  -10.092671     1  7643  7644
7644  7643  H     18.977555   -6.465021   -9.662291     2  7642
7645  7644  H     17.754050   -6.407698  -10.483997     2  7642
7646  7645  O     11.058995   -6.028079    3.755094     1  7646  7647
7647  7646  H     10.516304   -5.239025    3.707381     2  7645
7648  7647  H     10.441100   -6.639310    3.223866     2  7645
7649  7648  O     11.363484    9.198714   -4.658747     1  7649  7650
7650  7649  H     11.997139    8.759413   -4.049769     2  7648
7651  7650  H     11.882116    9.674631   -5.348901     2  7648
7652  7651  O     11.978095    1.730357    1.003264     1  7652  7653
7653  7652  H     11.166115    2.111899    0.640834     2  7651
7654  7653  H     12.443053    1.206587    0.313382     2  7651
7655  7654  O     10.253689   -3.081843    5.987781     1  7655  7656
7656  7655  H      9.727617   -3.566751    5.363719     2  7654
7657  7656  H     10.245904   -3.558486    6.860800     2  7654
7658  7657  O     14.329400    1.783832   -6.699830     1  7658  7659
7659  7658  H     15.207152    1.406504   -6.922730     2  7657
7660  7659  H     14.104365    2.654690   -7.086343     2  7657
7661  7660  O     13.660186   -7.828918   -4.426575     1  7661  7662
7662  7661  H     13.292096   -7.481310   -5.233646     2  7660
7663  7662  H     14.296779   -8.412515   -4.819797     2  7660
7664  7663  O     -1.590712  -21.454530   17.667459     1  7664  7665
7665  7664  H     -2.031335  -22.257310   18.040060     2  7663
7666  7665  H     -2.308309  -21.152946   17.119701     2  7663
7667  7666  O     22.536764   -0.781094    0.057386     1  7667  7668
7668  7667  H     22.959762   -1.633974    0.176190     2  7666
7669  7668  H     23.177630   -0.180343   -0.260479     2  7666
7670  7669  O     18.222542   -1.013473   -2.174923     1  7670  7671
7671  7670  H     18.742044   -0.755220   -1.404780     2  7669
7672  7671  H     17.487665   -1.516857   -1.817788     2  7669
7673  7672  O     19.105387    7.561852    4.015639     1  7673  7674
7674  7673  H     18.672542    8.038452    4.752984     2  7672
7675  7674  H     19.255049    6.648783    4.350815     2  7672
7676  7675  O     12.493552   -7.833196   -2.033163     1  7676  7677
7677  7676  H     12.989413   -8.061203   -2.830175     2  7675
7678  7677  H     12.196273   -6.980799   -2.188689     2  7675
7679  7678  O     23.912801   -2.678088    8.466793     1  7679  7680
7680  7679  H     23.658228   -2.113148    7.731377     2  7678
7681  7680  H     23.718144   -3.581855    8.193387     2  7678
7682  7681  O     17.100852   -5.131613   -4.823562     1  7682  7683
7683  7682  H     17.479147   -4.223251   -4.844424     2  7681
7684  7683  H     16.490489   -5.040654   -4.098094     2  7681
7685  7684  O     12.951452    8.135486   -8.574286     1  7685  7686
7686  7685  H     13.581441    7.761913   -9.189790     2  7684
7687  7686  H     12.907640    7.525918   -7.830259     2  7684
7688  7687  O     16.549585    5.574154    2.118148     1  7688  7689
7689  7688  H     15.663587    5.371187    1.807392     2  7687
7690  7689  H     16.660449    6.534176    1.941788     2  7687
7691  7690  O     18.147578    9.181317   -0.322933     1  7691  7692
7692  7691  H     18.874974    8.599432   -0.110531     2  7690
7693  7692  H     18.180346   10.012507    0.087973     2  7690
7694  7693  O     10.642737    6.640019   -9.557152     1  7694  7695
7695  7694  H     10.103704    6.581566   -8.725644     2  7693
7696  7695  H     11.457404    7.222129   -9.352821     2  7693
7697  7696  O     15.153582   -0.900504    0.512691     1  7697  7698
7698  7697  H     15.841588   -0.854847    1.250212     2  7696
7699  7698  H     14.794040   -0.001343    0.428463     2  7696
7700  7699  O     24.900914   -2.149813   -5.340176     1  7700  7701
7701  7700  H     25.348230   -2.501235   -6.204487     2  7699
7702  7701  H     24.093718   -2.740484   -5.302459     2  7699
7703  7702  O     23.600011    6.073123    2.410197     1  7703  7704
7704  7703  H     22.886941    5.479781    2.714107     2  7702
7705  7704  H     23.288215    6.968872    2.582261     2  7702
7706  7705  O     18.589652   -2.498929   -4.736104     1  7706  7707
7707  7706  H     18.083577   -2.027082   -4.033774     2  7705
7708  7707  H     18.506468   -2.066176   -5.590143     2  7705
7709  7708  O     21.453931    5.526123   -5.830138     1  7709  7710
7710  7709  H     21.391244    5.697785   -4.853333     2  7708
7711  7710  H     22.362426    5.524145   -6.143088     2  7708
7712  7711  O     13.476687   -6.524335    4.565641     1  7712  7713
7713  7712  H     13.799439   -5.688470    4.398271     2  7711
7714  7713  H     12.544117   -6.544782    4.396488     2  7711
7715  7714  O      7.978643    0.341308   11.982467     1  7715  7716
7716  7715  H      7.888625    1.161132   12.481368     2  7714
7717  7716  H      8.999665    0.186895   12.090914     2  7714
7718  7717  O     23.124828   -3.603469    3.341683     1  7718  7719
7719  7718  H     22.488675   -3.512583    4.049566     2  7717
7720  7719  H     23.622971   -4.421932    3.441476     2  7717
7721  7720  O     13.007501    7.489223   -2.938400     1  7721  7722
7722  7721  H     13.638606    6.954697   -3.431580     2  7720
7723  7722  H     13.377012    8.349939   -2.870398     2  7720
7724  7723  O     20.981829    1.317508    2.901371     1  7724  7725
7725  7724  H     21.790767    0.840473    2.697169     2  7723
7726  7725  H     20.812318    0.976354    3.794619     2  7723
7727  7726  O     27.064547    1.285275    2.002383     1  7727  7728
7728  7727  H     26.953121    1.973044    2.640247     2  7726
7729  7728  H     27.174559    1.796262    1.201471     2  7726
7730  7729  O     21.783329   -5.835569   -2.835517     1  7730  7731
7731  7730  H     21.756292   -6.771922   -2.996048     2  7729
7732  7731  H     22.492087   -5.716182   -2.129742     2  7729
7733  7732  O     21.140259    0.314585   -5.724707     1  7733  7734
7734  7733  H     21.698950    0.233712   -4.932899     2  7732
7735  7734  H     20.280681    0.554132   -5.412768     2  7732
7736  7735  O     22.449719    1.915062   -7.431148     1  7736  7737
7737  7736  H     22.460962    1.081710   -7.968065     2  7735
7738  7737  H     22.417563    1.650195   -6.533511     2  7735
7739  7738  O     25.025473    3.275053   -2.071939     1  7739  7740
7740  7739  H     24.359420    3.987398   -1.989819     2  7738
7741  7740  H     25.688803    3.227071   -1.358323     2  7738
7742  7741  O     18.091616   -1.811465   -7.274717     1  7742  7743
7743  7742  H     19.010714   -2.142487   -7.641283     2  7741
7744  7743  H     17.441539   -2.461240   -7.584648     2  7741
7745  7744  O    -27.641923   -0.039902   -3.904377     1  7745  7746
7746  7745  H    -26.800433    0.200107   -3.466781     2  7744
7747  7746  H    -27.397306   -0.055558   -4.868668     2  7744
7748  7747  O     16.267344    1.352638    3.358592     1  7748  7749
7749  7748  H     15.612119    1.513723    2.718397     2  7747
7750  7749  H     16.945264    0.872839    2.854635     2  7747
7751  7750  O    -27.599625   -3.348106   -7.153847     1  7751  7752
7752  7751  H    -28.571093   -3.280836   -7.184501     2  7750
7753  7752  H    -27.275229   -3.201786   -8.072339     2  7750
7754  7753  O     10.516028    4.463414    6.608542     1  7754  7755
7755  7754  H      9.987617    4.576973    7.426772     2  7753
7756  7755  H     10.857234    5.319347    6.427016     2  7753
7757  7756  O    -27.352846    3.700683   -9.117575     1  7757  7758
7758  7757  H    -27.866566    3.876675   -9.923732     2  7756
7759  7758  H    -27.430229    4.435539   -8.533995     2  7756
7760  7759  O     17.412078   -4.552176   -7.825543     1  7760  7761
7761  7760  H     18.344820   -4.684684   -8.151160     2  7759
7762  7761  H     17.348386   -5.035589   -7.019591     2  7759
7763  7762  O    -26.573699    6.318904    4.679055     1  7763  7764
7764  7763  H    -25.671484    6.676358    4.450695     2  7762
7765  7764  H    -26.766960    6.583885    5.585100     2  7762
7766  7765  O     19.977636   -3.559447   -0.653422     1  7766  7767
7767  7766  H     20.428654   -3.128342    0.042885     2  7765
7768  7767  H     20.228899   -3.237843   -1.535039     2  7765
7769  7768  O     24.777614   -6.948795    1.092083     1  7769  7770
7770  7769  H     25.293771   -7.681816    1.446418     2  7768
7771  7770  H     24.582036   -6.371846    1.847569     2  7768
7772  7771  O     17.496184   -9.193238   -8.026262     1  7772  7773
7773  7772  H     18.430458   -9.291745   -7.748789     2  7771
7774  7773  H     17.666640   -8.608701   -8.754056     2  7771
7775  7774  O     12.569233    8.061887    4.071856     1  7775  7776
7776  7775  H     12.348608    7.775291    3.134145     2  7774
7777  7776  H     13.490097    8.282273    4.053280     2  7774
7778  7777  O     17.651394    6.653923    8.299456     1  7778  7779
7779  7778  H     17.335611    5.850995    8.683771     2  7777
7780  7779  H     17.121884    7.416048    8.566149     2  7777
7781  7780  O     22.822979   -4.228925   -5.259672     1  7781  7782
7782  7781  H     23.505645   -4.507213   -5.882303     2  7780
7783  7782  H     22.722707   -5.003664   -4.602150     2  7780
7784  7783  O     12.721348    6.084349   -6.304251     1  7784  7785
7785  7784  H     11.811532    6.296907   -5.943990     2  7783
7786  7785  H     13.382907    6.266042   -5.565119     2  7783
7787  7786  O     13.754189    6.297223    8.019481     1  7787  7788
7788  7787  H     12.953237    6.724272    7.599043     2  7786
7789  7788  H     14.439280    6.181175    7.356662     2  7786
7790  7789  O     17.463040   -6.544969    3.210223     1  7790  7791
7791  7790  H     16.970493   -6.388012    2.392706     2  7789
7792  7791  H     17.277980   -7.456638    3.351199     2  7789
7793  7792  O     27.423503    1.561054   -7.694583     1  7793  7794
7794  7793  H     26.772503    2.111218   -7.173630     2  7792
7795  7794  H     27.904604    2.235208   -8.194563     2  7792
7796  7795  O     25.979909   -1.095547   -2.737429     1  7796  7797
7797  7796  H     26.784612   -0.569252   -2.925030     2  7795
7798  7797  H     25.641318   -1.507955   -3.538663     2  7795
7799  7798  O     20.972033   -2.696830   -3.107136     1  7799  7800
7800  7799  H     21.515324   -3.336110   -3.592762     2  7798
7801  7800  H     20.228054   -2.524801   -3.661960     2  7798
7802  7801  O    -26.602113    3.813060   -2.054667     1  7802  7803
7803  7802  H    -26.868802    3.135752   -2.666413     2  7801
7804  7803  H    -26.918648    4.662470   -2.411693     2  7801
7805  7804  O     13.340603    4.131522   -8.118441     1  7805  7806
7806  7805  H     12.788796    4.758782   -7.644437     2  7804
7807  7806  H     14.019882    4.665668   -8.553228     2  7804
7808  7807  O     10.275376    4.842733   -3.818601     1  7808  7809
7809  7808  H     10.091362    5.527873   -4.505381     2  7807
7810  7809  H     10.468870    3.984962   -4.171082     2  7807
7811  7810  O     13.000399   -4.313480   -4.335776     1  7811  7812
7812  7811  H     13.066171   -3.451290   -4.800814     2  7810
7813  7812  H     13.876454   -4.654029   -4.089216     2  7810
7814  7813  O     25.249586    5.468067    7.133204     1  7814  7815
7815  7814  H     25.693771    5.644826    6.297641     2  7813
7816  7815  H     25.778192    5.791940    7.868716     2  7813
7817  7816  O     14.269527   -0.680949   -8.783615     1  7817  7818
7818  7817  H     15.141927   -0.303743   -8.745421     2  7816
7819  7818  H     14.093867   -1.142049   -7.932445     2  7816
7820  7819  O     21.035057    4.574407    7.294268     1  7820  7821
7821  7820  H     21.487684    5.304765    7.749241     2  7819
7822  7821  H     21.686566    3.839221    7.267789     2  7819
7823  7822  O     16.038141    5.321321   -8.320610     1  7823  7824
7824  7823  H     16.481755    4.537261   -8.758037     2  7822
7825  7824  H     15.955278    5.064453   -7.358421     2  7822
7826  7825  O     17.839192    1.131430  -10.821395     1  7826  7827
7827  7826  H     18.706635    0.941082  -11.245661     2  7825
7828  7827  H     17.197468    0.898246  -11.593783     2  7825
7829  7828  O     11.167115   -5.384250   -2.317528     1  7829  7830
7830  7829  H     11.850000   -5.104702   -2.962531     2  7828
7831  7830  H     11.385052   -4.950195   -1.477776     2  7828
7832  7831  O     23.327673    1.230217    9.107147     1  7832  7833
7833  7832  H     23.076664    0.631616    9.823329     2  7831
7834  7833  H     22.546598    1.283319    8.525404     2  7831
7835  7834  O     19.781035   -5.240666    3.302410     1  7835  7836
7836  7835  H     18.952451   -5.727302    3.429350     2  7834
7837  7836  H     19.963165   -5.453933    2.371746     2  7834
7838  7837  O     16.993061    8.866508   -3.076691     1  7838  7839
7839  7838  H     17.068185    7.913126   -3.194720     2  7837
7840  7839  H     17.375292    9.076685   -2.151625     2  7837
7841  7840  O     13.167196   -6.973877    7.620866     1  7841  7842
7842  7841  H     13.233347   -6.776083    8.560208     2  7840
7843  7842  H     12.987247   -6.090445    7.212874     2  7840
7844  7843  O     21.676965    4.136096    2.948280     1  7844  7845
7845  7844  H     21.448071    3.170688    2.895697     2  7843
7846  7845  H     21.215407    4.520209    3.753940     2  7843
7847  7846  O     23.088620   -6.362763   -8.439119     1  7847  7848
7848  7847  H     23.051799   -7.147514   -7.855055     2  7846
7849  7848  H     23.147474   -5.580576   -7.924611     2  7846
7850  7849  O     24.233518    0.749521   -4.928397     1  7850  7851
7851  7850  H     24.655890   -0.041883   -5.224910     2  7849
7852  7851  H     24.230121    0.749269   -3.932635     2  7849
7853  7852  O     20.816997   -6.221014    0.207522     1  7853  7854
7854  7853  H     20.099267   -6.842202   -0.082854     2  7852
7855  7854  H     20.441952   -5.317161    0.096228     2  7852
7856  7855  O     26.444044    5.720833   -4.920357     1  7856  7857
7857  7856  H     26.376954    6.528695   -4.412661     2  7855
7858  7857  H     25.496022    5.416012   -5.132503     2  7855
7859  7858  O     20.550101   -6.323722   -6.007985     1  7859  7860
7860  7859  H     20.652881   -7.230708   -5.841945     2  7858
7861  7860  H     20.875511   -5.768022   -5.265572     2  7858
7862  7861  O     21.444960   -8.928147    7.252555     1  7862  7863
7863  7862  H     21.106059   -9.058955    6.350223     2  7861
7864  7863  H     22.293749   -8.513913    6.992633     2  7861
7865  7864  O     18.606195    9.138085    6.334633     1  7865  7866
7866  7865  H     19.357028    8.712081    6.783993     2  7864
7867  7866  H     17.755939    8.993497    6.794889     2  7864
7868  7867  O     13.896752    2.368055   -3.935952     1  7868  7869
7869  7868  H     14.734619    2.157684   -3.531276     2  7867
7870  7869  H     14.078736    2.074554   -4.842185     2  7867
7871  7870  O      8.928987   -4.179687    3.808666     1  7871  7872
7872  7871  H      8.587784   -3.670875    3.071785     2  7870
7873  7872  H      8.173046   -4.684778    4.159145     2  7870
7874  7873  O     12.781963    3.209526    5.837527     1  7874  7875
7875  7874  H     11.874105    3.352216    6.164410     2  7873
7876  7875  H     13.397201    3.841589    6.158074     2  7873
7877  7876  O     23.992578   -5.494661   -1.266796     1  7877  7878
7878  7877  H     24.315024   -6.287294   -0.778489     2  7876
7879  7878  H     24.539040   -5.408728   -2.060771     2  7876
7880  7879  O     16.793457   12.929173    0.966118     1  7880  7881
7881  7880  H     17.385911   12.425994    0.429664     2  7879
7882  7881  H     15.991996   13.058654    0.491800     2  7879
7883  7882  O     13.264499    0.547081   -1.311546     1  7883  7884
7884  7883  H     13.397874    1.234726   -1.943785     2  7882
7885  7884  H     12.637444   -0.144495   -1.634634     2  7882
7886  7885  O     14.880013   -3.908853    4.209038     1  7886  7887
7887  7886  H     15.606130   -3.727335    3.597877     2  7885
7888  7887  H     14.332550   -3.137275    4.161348     2  7885
7889  7888  O     24.690678    7.626199   -0.725653     1  7889  7890
7890  7889  H     25.373045    7.555319   -0.061126     2  7888
7891  7890  H     24.337987    6.761198   -0.990711     2  7888
7892  7891  O     15.200139   -1.080235   -4.646259     1  7892  7893
7893  7892  H     15.370990   -1.539588   -3.809389     2  7891
7894  7893  H     15.698598   -0.247086   -4.670670     2  7891
7895  7894  O      9.299456    3.512635   -7.186042     1  7895  7896
7896  7895  H      8.589996    3.728705   -6.533229     2  7894
7897  7896  H      9.673590    2.633642   -6.922335     2  7894
7898  7897  O     13.075025   -4.309104    7.040228     1  7898  7899
7899  7898  H     12.634425   -3.632130    7.562924     2  7897
7900  7899  H     13.563611   -3.852621    6.328907     2  7897
7901  7900  O     18.797570   -6.224015   -2.619710     1  7901  7902
7902  7901  H     18.396667   -6.023476   -3.461133     2  7900
7903  7902  H     19.750631   -6.097471   -2.663876     2  7900
7904  7903  O     14.329853    6.094513    0.539427     1  7904  7905
7905  7904  H     14.344222    7.034201    0.176093     2  7903
7906  7905  H     13.456574    5.743819    0.358621     2  7903
7907  7906  O     12.864201   -1.416542  -10.994099     1  7907  7908
7908  7907  H     12.878025   -0.677325  -11.645067     2  7906
7909  7908  H     13.258001   -1.141789  -10.138288     2  7906
7910  7909  O     25.288579    7.775932   -3.285230     1  7910  7911
7911  7910  H     24.596877    7.893356   -3.935390     2  7909
7912  7911  H     24.970551    7.943215   -2.361385     2  7909
7913  7912  O     27.311709    3.095091   -4.000366     1  7913  7914
7914  7913  H     26.362329    2.864675   -3.836353     2  7912
7915  7914  H     27.435730    3.978739   -4.389948     2  7912
7916  7915  O     15.228346   -5.674282   -2.961523     1  7916  7917
7917  7916  H     14.901178   -6.528952   -3.139495     2  7915
7918  7917  H     14.564629   -5.363060   -2.268164     2  7915
7919  7918  O     19.328769   -7.210111    8.872125     1  7919  7920
7920  7919  H     19.485111   -7.874299    8.174986     2  7918
7921  7920  H     18.329645   -7.219398    9.045092     2  7918
7922  7921  O     12.290041    0.189350    5.443111     1  7922  7923
7923  7922  H     12.666800    0.856610    4.802987     2  7921
7924  7923  H     11.663173    0.576231    6.076176     2  7921
7925  7924  O     23.421509   -9.006006    0.009156     1  7925  7926
7926  7925  H     22.497580   -9.127203   -0.057403     2  7924
7927  7926  H     23.553528   -8.223676    0.595780     2  7924
7928  7927  O     14.897756    6.567825   -4.647774     1  7928  7929
7929  7928  H     15.650769    5.943586   -4.825466     2  7927
7930  7929  H     15.169008    7.419768   -5.057442     2  7927
7931  7930  O     19.856577    4.836312    4.851480     1  7931  7932
7932  7931  H     19.114288    4.283881    4.586628     2  7930
7933  7932  H     20.057200    4.628640    5.755801     2  7930
7934  7933  O     24.887315   -5.774692   -6.329826     1  7934  7935
7935  7934  H     24.437349   -6.634035   -6.413501     2  7933
7936  7935  H     25.662111   -5.892386   -6.906815     2  7933
7937  7936  O     12.638091    0.815573  -12.712063     1  7937  7938
7938  7937  H     11.806107    1.111733  -12.281185     2  7936
7939  7938  H     13.118873    1.631711  -12.783822     2  7936
7940  7939  O     25.499531   -2.213516    1.061788     1  7940  7941
7941  7940  H     24.742203   -2.762642    1.066558     2  7939
7942  7941  H     25.980366   -2.522486    1.809711     2  7939
7943  7942  O     15.863359    8.704722   -6.157035     1  7943  7944
7944  7943  H     15.578436    9.022842   -7.033603     2  7942
7945  7944  H     16.726953    9.142551   -5.901433     2  7942
7946  7945  O     17.787789    3.899724    7.552086     1  7946  7947
7947  7946  H     18.553563    4.465963    7.304239     2  7945
7948  7947  H     17.729164    3.253832    6.786279     2  7945
7949  7948  O     -4.001820   20.571888   17.024374     1  7949  7950
7950  7949  H     -4.783754   20.180893   16.600026     2  7948
7951  7950  H     -4.301680   20.809438   17.910820     2  7948
7952  7951  O     23.932595   -9.674776    3.133012     1  7952  7953
7953  7952  H     23.269027   -9.051126    2.773651     2  7951
7954  7953  H     23.496635  -10.536578    3.215497     2  7951
7955  7954  O      9.649366    8.397417   10.254140     1  7955  7956
7956  7955  H      9.357880    7.733552   10.923202     2  7954
7957  7956  H      9.545111    9.236417   10.755713     2  7954
7958  7957  O     25.614964   -2.831281    6.038253     1  7958  7959
7959  7958  H     26.053502   -2.155126    6.517540     2  7957
7960  7959  H     24.679063   -2.684996    6.175791     2  7957
7961  7960  O     24.620694   -5.086075   10.499660     1  7961  7962
7962  7961  H     25.218958   -4.830970    9.746522     2  7960
7963  7962  H     24.579850   -6.030636   10.378890     2  7960
7964  7963  O     16.652583   -6.209707    5.988365     1  7964  7965
7965  7964  H     17.034255   -7.086793    6.038887     2  7963
7966  7965  H     16.682900   -6.035999    5.052690     2  7963
7967  7966  O     26.765819    3.011120    4.208824     1  7967  7968
7968  7967  H     26.389494    3.877462    3.915340     2  7966
7969  7968  H     26.038840    2.593753    4.735787     2  7966
7970  7969  O     13.560924    1.887218    3.281364     1  7970  7971
7971  7970  H     13.480650    2.654832    3.878728     2  7969
7972  7971  H     12.959546    1.928378    2.596192     2  7969
7973  7972  O     11.169766   -2.948108   24.827766     1  7973  7974
7974  7973  H     11.818755   -3.179674   24.106096     2  7972
7975  7974  H     10.638330   -2.166329   24.574101     2  7972
7976  7975  O     26.747769   -0.955272   13.867371     1  7976  7977
7977  7976  H     27.403144   -0.354495   14.268139     2  7975
7978  7977  H     26.325106   -0.476359   13.152557     2  7975
7979  7978  O     10.960145   -5.018822   17.991942     1  7979  7980
7980  7979  H     11.781642   -5.475325   18.092040     2  7978
7981  7980  H     11.258767   -4.148911   17.690707     2  7978
7982  7981  O      7.049935   -3.128616   22.800653     1  7982  7983
7983  7982  H      6.688387   -3.974442   22.459736     2  7981
7984  7983  H      7.761856   -3.309498   23.462700     2  7981
7985  7984  O     21.214737    5.373267   11.946055     1  7985  7986
7986  7985  H     21.341019    4.379085   11.755001     2  7984
7987  7986  H     21.705243    5.906682   11.327695     2  7984
7988  7987  O     20.064762    0.171766   17.616831     1  7988  7989
7989  7988  H     20.851251   -0.110799   17.101929     2  7987
7990  7989  H     20.099892    1.123204   17.693482     2  7987
7991  7990  O     13.976432   -5.884441   18.418239     1  7991  7992
7992  7991  H     14.536969   -6.637400   18.192047     2  7990
7993  7992  H     13.877030   -5.743969   19.415320     2  7990
7994  7993  O     21.852746    2.961237   11.034594     1  7994  7995
7995  7994  H     22.258294    2.480114   11.770157     2  7993
7996  7995  H     21.196775    2.354478   10.768220     2  7993
7997  7996  O     11.912057    8.387383   13.058504     1  7997  7998
7998  7997  H     11.042206    8.705062   12.878593     2  7996
7999  7998  H     12.256852    7.976298   12.247721     2  7996
8000  7999  O      9.101116    5.056731   26.759551     1  8000  8001
8001  8000  H      8.265721    4.570042   26.621533     2  7999
8002  8001  H      9.448280    5.094271   25.868474     2  7999
8003  8002  O     11.711997   -9.156043   18.910352     1  8003  8004
8004  8003  H     11.805163  -10.116070   18.917477     2  8002
8005  8004  H     12.571357   -8.752382   19.193786     2  8002
8006  8005  O      9.333557   -8.026712   20.643488     1  8006  8007
8007  8006  H     10.267803   -8.238088   20.409809     2  8005
8008  8007  H      9.134775   -7.632991   21.511556     2  8005
8009  8008  O     12.304907   -2.138250   18.070966     1  8009  8010
8010  8009  H     13.065160   -2.358079   17.489560     2  8008
8011  8010  H     12.018654   -1.251006   17.823143     2  8008
8012  8011  O     10.006965   -0.395012   24.545022     1  8012  8013
8013  8012  H      9.661267   -0.151368   23.715431     2  8011
8014  8013  H      9.428506    0.031860   25.238663     2  8011
8015  8014  O     23.710436    2.990344    6.647036     1  8015  8016
8016  8015  H     24.441930    3.610075    6.375575     2  8014
8017  8016  H     23.856440    2.141509    6.163080     2  8014
8018  8017  O     13.081300    2.719777   15.447994     1  8018  8019
8019  8018  H     13.265476    1.796039   15.598644     2  8017
8020  8019  H     13.719553    2.999665   14.737378     2  8017
8021  8020  O     12.095032   -5.943358   21.657568     1  8021  8022
8022  8021  H     12.370985   -5.292811   20.977162     2  8020
8023  8022  H     11.230226   -5.960927   22.004497     2  8020
8024  8023  O     10.992268    0.314411   17.750830     1  8024  8025
8025  8024  H     10.300054    0.018474   18.334443     2  8023
8026  8025  H     11.510726    0.983916   18.225417     2  8023
8027  8026  O     17.434283   -6.455496   17.262502     1  8027  8028
8028  8027  H     17.695160   -5.607503   17.632678     2  8026
8029  8028  H     16.714562   -6.276653   16.679285     2  8026
8030  8029  O     19.669457    1.490397   15.226566     1  8030  8031
8031  8030  H     19.967282    0.732043   14.645555     2  8029
8032  8031  H     20.475352    1.900167   15.548507     2  8029
8033  8032  O     -4.944868  -22.573953  -10.461109     1  8033  8034
8034  8033  H     -4.710772  -23.470272  -10.740530     2  8032
8035  8034  H     -5.907482  -22.551763  -10.456825     2  8032
8036  8035  O     20.236343    3.011668   18.068028     1  8036  8037
8037  8036  H     21.124429    3.152302   17.588492     2  8035
8038  8037  H     20.468035    3.031569   19.080519     2  8035
8039  8038  O     11.969000   -3.305045   20.301207     1  8039  8040
8040  8039  H     11.013087   -3.107808   20.459726     2  8038
8041  8040  H     12.197824   -3.020109   19.390056     2  8038
8042  8041  O    -13.010458  -22.314215   -6.324270     1  8042  8043
8043  8042  H    -12.234990  -21.688140   -6.284406     2  8041
8044  8043  H    -12.687686  -23.194955   -6.450972     2  8041
8045  8044  O     22.389175   -4.404160   11.651611     1  8045  8046
8046  8045  H     23.093530   -4.449836   11.000530     2  8044
8047  8046  H     21.598465   -4.673259   11.137305     2  8044
8048  8047  O    -13.390895   26.069977   -0.787716     1  8048  8049
8049  8048  H    -14.000326   26.623773   -1.286542     2  8047
8050  8049  H    -13.017693   25.585183   -1.575347     2  8047
8051  8050  O     -2.288968   27.092200   -9.818400     1  8051  8052
8052  8051  H     -2.541850   27.641357  -10.554797     2  8050
8053  8052  H     -1.320450   27.186262   -9.838178     2  8050
8054  8053  O     16.015489   -0.424506   13.356256     1  8054  8055
8055  8054  H     16.033155    0.529496   13.044871     2  8053
8056  8055  H     15.402783   -0.926087   12.784578     2  8053
8057  8056  O     20.102209    0.752236   10.066416     1  8057  8058
8058  8057  H     19.392103    0.674072   10.660345     2  8056
8059  8058  H     20.667386   -0.016774   10.203865     2  8056
8060  8059  O     22.167369    7.468485    9.970295     1  8060  8061
8061  8060  H     22.594018    8.229768   10.338272     2  8059
8062  8061  H     22.550404    7.383188    9.106709     2  8059
8063  8062  O     12.509815    5.028802   17.204317     1  8063  8064
8064  8063  H     12.490461    4.539731   18.008795     2  8062
8065  8064  H     12.987261    4.430531   16.621311     2  8062
8066  8065  O     -4.962166   22.424200   -5.864167     1  8066  8067
8067  8066  H     -5.395139   22.892780   -5.194458     2  8065
8068  8067  H     -5.674998   21.965699   -6.397670     2  8065
8069  8068  O     -3.248282  -26.234409  -10.722865     1  8069  8070
8070  8069  H     -4.016821  -26.716838  -11.123526     2  8068
8071  8070  H     -3.207319  -26.040039   -9.764808     2  8068
8072  8071  O     12.700108   -3.985998   11.197073     1  8072  8073
8073  8072  H     13.071839   -3.154919   10.898060     2  8071
8074  8073  H     11.750959   -3.935268   11.231829     2  8071
8075  8074  O     25.768884    2.735161    9.913994     1  8075  8076
8076  8075  H     24.909409    2.340993    9.581810     2  8074
8077  8076  H     25.472345    3.521479   10.462272     2  8074
8078  8077  O     14.833696   -5.074310   12.561979     1  8078  8079
8079  8078  H     15.355006   -4.641322   11.916755     2  8077
8080  8079  H     13.949211   -4.767125   12.228220     2  8077
8081  8080  O     11.204977   11.088463   10.339325     1  8081  8082
8082  8081  H     11.533570   11.995945   10.503128     2  8080
8083  8082  H     12.005961   10.552041   10.061939     2  8080
8084  8083  O     18.169313    0.053598   23.159589     1  8084  8085
8085  8084  H     17.228256   -0.143581   23.198296     2  8083
8086  8085  H     18.310026    0.594205   23.968018     2  8083
8087  8086  O     20.694009    0.147173   20.408884     1  8087  8088
8088  8087  H     20.339241   -0.084574   19.518052     2  8086
8089  8088  H     20.321091    0.993667   20.727633     2  8086
8090  8089  O     12.242111   -6.437145   14.893995     1  8090  8091
8091  8090  H     11.736916   -5.797292   14.306122     2  8089
8092  8091  H     11.623101   -7.037589   15.397726     2  8089
8093  8092  O     19.185893   -2.832532   10.374212     1  8093  8094
8094  8093  H     19.275448   -2.093047   11.024019     2  8092
8095  8094  H     18.643985   -2.413946    9.681902     2  8092
8096  8095  O     15.631727  -11.350690   12.442467     1  8096  8097
8097  8096  H     15.143952  -10.721022   12.988648     2  8095
8098  8097  H     16.228773  -10.906488   11.872479     2  8095
8099  8098  O     14.110620    2.144650   21.885041     1  8099  8100
8100  8099  H     13.900897    1.267874   21.587173     2  8098
8101  8100  H     13.693241    2.418360   22.735696     2  8098
8102  8101  O     16.599620   -8.698913   15.169411     1  8102  8103
8103  8102  H     17.523796   -8.673759   14.951943     2  8101
8104  8103  H     16.197090   -8.334433   14.382104     2  8101
8105  8104  O     25.801697    0.237616   11.589352     1  8105  8106
8106  8105  H     26.058723   -0.428343   10.903802     2  8104
8107  8106  H     26.076107    1.010265   11.121279     2  8104
8108  8107  O      8.667427   -5.409836   19.658394     1  8108  8109
8109  8108  H      8.601760   -6.364261   19.771380     2  8107
8110  8109  H      9.422321   -5.214898   19.054738     2  8107
8111  8110  O     16.917931    1.668495   15.131213     1  8111  8112
8112  8111  H     17.870280    1.635915   15.027710     2  8110
8113  8112  H     16.823388    2.090774   16.000357     2  8110
8114  8113  O      8.980427   -0.464723   19.419621     1  8114  8115
8115  8114  H      8.805482   -1.333648   19.833402     2  8113
8116  8115  H      8.251007   -0.335105   18.797776     2  8113
8117  8116  O     10.681294    7.400039   19.787666     1  8117  8118
8118  8117  H     10.883164    6.765497   20.450646     2  8116
8119  8118  H     11.466722    8.002175   19.664271     2  8116
8120  8119  O     23.178164    4.624941    9.305540     1  8120  8121
8121  8120  H     22.677526    3.983296    9.855904     2  8119
8122  8121  H     23.528712    4.048934    8.596219     2  8119
8123  8122  O     10.007559   -4.208948   11.265572     1  8123  8124
8124  8123  H      9.611948   -3.372430   11.006443     2  8122
8125  8124  H      9.508949   -4.439059   12.105641     2  8122
8126  8125  O     10.830100    0.353010   12.575921     1  8126  8127
8127  8126  H     11.044414    0.166570   13.459702     2  8125
8128  8127  H     10.804564    1.323012   12.538268     2  8125
8129  8128  O     26.373820   -1.598377    9.564961     1  8129  8130
8130  8129  H     27.106109   -2.256177    9.613631     2  8128
8131  8130  H     25.675202   -2.192296    9.244680     2  8128
8132  8131  O     16.966486   -4.426883   10.826188     1  8132  8133
8133  8132  H     16.684188   -4.395454    9.903785     2  8131
8134  8133  H     17.764608   -3.926804   10.849995     2  8131
8135  8134  O     17.716911   -1.339363   17.741786     1  8135  8136
8136  8135  H     17.642663   -1.482179   16.793298     2  8134
8137  8136  H     18.394082   -0.640657   17.816946     2  8134
8138  8137  O     20.774871   -4.860666    9.342592     1  8138  8139
8139  8138  H     20.320795   -5.685373    9.251912     2  8137
8140  8139  H     20.148209   -4.152529    9.586824     2  8137
8141  8140  O      9.455785   -5.949815   22.670209     1  8141  8142
8142  8141  H      8.888886   -5.489693   22.077959     2  8140
8143  8142  H      9.146572   -5.731538   23.504463     2  8140
8144  8143  O     13.696097    7.442786   15.123730     1  8144  8145
8145  8144  H     14.214120    6.757951   14.659661     2  8143
8146  8145  H     13.103467    7.869911   14.519055     2  8143
8147  8146  O      9.148100    3.382702   20.198801     1  8147  8148
8148  8147  H      8.661746    3.230586   19.386750     2  8146
8149  8148  H     10.091345    3.426212   19.991584     2  8146
8150  8149  O     15.366143    1.811794   11.660327     1  8150  8151
8151  8150  H     14.511218    1.538084   11.169265     2  8149
8152  8151  H     15.667460    2.458208   11.012483     2  8149
8153  8152  O     15.502304   -7.901143   12.868660     1  8153  8154
8154  8153  H     15.145015   -6.958123   12.999694     2  8152
8155  8154  H     16.145277   -7.822955   12.178048     2  8152
8156  8155  O     24.880760    5.085627   11.431063     1  8156  8157
8157  8156  H     24.356511    5.148045   10.631688     2  8155
8158  8157  H     25.621019    5.737729   11.250154     2  8155
8159  8158  O     -4.626489  -27.802809   -5.633412     1  8159  8160
8160  8159  H     -4.856677  -28.386324   -4.845654     2  8158
8161  8160  H     -5.349229  -27.844437   -6.253614     2  8158
8162  8161  O     20.778877   -0.908992   14.044874     1  8162  8163
8163  8162  H     21.712313   -1.127468   13.699253     2  8161
8164  8163  H     20.671987   -1.670233   14.650642     2  8161
8165  8164  O      8.753010  -11.171927   16.803737     1  8165  8166
8166  8165  H      8.323010  -10.489640   17.236626     2  8164
8167  8166  H      8.919358  -11.820879   17.503444     2  8164
8168  8167  O     16.236450   -4.633557   15.069284     1  8168  8169
8169  8168  H     15.801190   -4.767175   14.202762     2  8167
8170  8169  H     17.129304   -5.043756   14.938433     2  8167
8171  8170  O     15.766382    6.235125    6.165875     1  8171  8172
8172  8171  H     16.030636    5.421027    5.773272     2  8170
8173  8172  H     16.449338    6.415023    6.833084     2  8170
8174  8173  O     -9.422170  -23.168618   -8.778580     1  8174  8175
8175  8174  H     -9.610944  -23.182027   -7.788933     2  8173
8176  8175  H     -9.881917  -22.373734   -9.059407     2  8173
8177  8176  O     13.513123    4.147159    9.787728     1  8177  8178
8178  8177  H     14.452912    4.064130    9.824129     2  8176
8179  8178  H     13.390145    4.836205    9.111571     2  8176
8180  8179  O     13.823523   -0.715574   21.134353     1  8180  8181
8181  8180  H     12.999652   -1.179241   20.866699     2  8179
8182  8181  H     14.507569   -0.862312   20.424457     2  8179
8183  8182  O     18.205341   -6.674344   11.962281     1  8183  8184
8184  8183  H     18.683302   -7.214554   11.343429     2  8182
8185  8184  H     17.721663   -5.894089   11.577673     2  8182
8186  8185  O     -2.725115  -20.869638  -10.514851     1  8186  8187
8187  8186  H     -3.614207  -21.306712  -10.459127     2  8185
8188  8187  H     -2.500680  -21.086887  -11.409229     2  8185
8189  8188  O     13.094881    0.003717   25.264301     1  8189  8190
8190  8189  H     13.342584    0.848386   24.870991     2  8188
8191  8190  H     12.217421   -0.145114   24.939476     2  8188
8192  8191  O     17.326871    2.458301   17.921918     1  8192  8193
8193  8192  H     17.965861    1.753002   17.741396     2  8191
8194  8193  H     17.897597    3.232143   18.281568     2  8191
8195  8194  O     22.223324    3.119254   15.757750     1  8195  8196
8196  8195  H     23.129154    2.903295   15.694182     2  8194
8197  8196  H     22.146827    3.949853   15.267145     2  8194
8198  8197  O     23.585128    1.096433   13.221493     1  8198  8199
8199  8198  H     24.023913    1.942110   13.462696     2  8197
8200  8199  H     24.215462    0.566694   12.762531     2  8197
8201  8200  O     18.711803   -0.467640   12.051532     1  8201  8202
8202  8201  H     17.743328   -0.328877   12.302304     2  8200
8203  8202  H     19.286131   -0.696108   12.800083     2  8200
8204  8203  O     -8.150171   26.089586   -5.896869     1  8204  8205
8205  8204  H     -7.685515   26.748910   -6.411847     2  8203
8206  8205  H     -8.781734   26.747766   -5.480298     2  8203
8207  8206  O    -25.694937    0.868415   10.334587     1  8207  8208
8208  8207  H    -26.539252    1.166163   10.041255     2  8206
8209  8208  H    -25.036611    1.180280    9.686864     2  8206
8210  8209  O     10.252786   -3.309692   14.709593     1  8210  8211
8211  8210  H     10.685670   -2.430380   14.771808     2  8209
8212  8211  H     10.351977   -3.652908   13.816227     2  8209
8213  8212  O    -10.092804   19.101967   -7.110505     1  8213  8214
8214  8213  H    -10.406718   18.188198   -7.161648     2  8212
8215  8214  H     -9.346471   19.010047   -7.720303     2  8212
8216  8215  O     -8.020625   16.598588  -16.987996     1  8216  8217
8217  8216  H     -7.114786   16.745323  -17.271741     2  8215
8218  8217  H     -7.910205   16.489045  -16.029430     2  8215
8219  8218  O     13.582989    7.360371   10.974234     1  8219  8220
8220  8219  H     13.441618    6.753797   10.197474     2  8218
8221  8220  H     14.256557    6.966617   11.576697     2  8218
8222  8221  O     -3.146090   25.967471  -12.411338     1  8222  8223
8223  8222  H     -2.830237   25.783714  -11.529997     2  8221
8224  8223  H     -2.358488   26.158084  -13.012897     2  8221
8225  8224  O     23.244742   -2.146536   13.099561     1  8225  8226
8226  8225  H     23.072774   -3.055589   12.721783     2  8224
8227  8226  H     23.754446   -2.342387   13.914760     2  8224
8228  8227  O     16.228420    3.786008    9.925366     1  8228  8229
8229  8228  H     16.834284    4.275659   10.610725     2  8227
8230  8229  H     16.809664    3.700774    9.162118     2  8227
8231  8230  O     12.366087    2.202128   19.188771     1  8231  8232
8232  8231  H     12.423345    2.317757   20.169288     2  8230
8233  8232  H     13.249019    1.995695   18.877098     2  8230
8234  8233  O     18.204916   -4.035831   18.727434     1  8234  8235
8235  8234  H     18.031852   -3.181316   18.310286     2  8233
8236  8235  H     19.164790   -4.087733   18.525097     2  8233
8237  8236  O     17.379200   -2.234036   15.227967     1  8237  8238
8238  8237  H     16.764306   -3.016501   15.256257     2  8236
8239  8238  H     16.954485   -1.713605   14.536804     2  8236
8240  8239  O     18.002696    5.556418   11.147973     1  8240  8241
8241  8240  H     18.939282    5.638498   11.214296     2  8239
8242  8241  H     17.610308    6.392192   11.421693     2  8239
8243  8242  O     13.669448   -1.123715   11.721300     1  8243  8244
8244  8243  H     13.717189   -0.596579   10.883211     2  8242
8245  8244  H     13.259019   -0.607986   12.428523     2  8242
8246  8245  O      9.062015   -5.598012   13.264031     1  8246  8247
8247  8246  H      8.616938   -6.430945   12.954331     2  8245
8248  8247  H      8.566806   -5.352091   14.118646     2  8245
8249  8248  O     17.365115    7.853149   12.906211     1  8249  8250
8250  8249  H     17.990178    7.793675   13.618208     2  8248
8251  8250  H     17.032055    8.724907   12.905475     2  8248
8252  8251  O     22.439122   -1.097715   10.417379     1  8252  8253
8253  8252  H     22.643858   -1.867388    9.906544     2  8251
8254  8253  H     22.744765   -1.330972   11.252717     2  8251
8255  8254  O     -3.086465  -24.199365  -14.094556     1  8255  8256
8256  8255  H     -3.425571  -23.400634  -13.700729     2  8254
8257  8256  H     -3.121158  -23.901204  -15.062096     2  8254
8258  8257  O     14.682683   -3.567935   17.273849     1  8258  8259
8259  8258  H     15.255286   -3.920846   16.490450     2  8257
8260  8259  H     14.266625   -4.397698   17.550509     2  8257
8261  8260  O      9.288832   -3.023234   20.902826     1  8261  8262
8262  8261  H      8.781352   -2.728234   21.717062     2  8260
8263  8262  H      8.869365   -3.771882   20.495906     2  8260
8264  8263  O     15.305561   -1.297639   18.867120     1  8264  8265
8265  8264  H     15.000215   -2.092462   18.406714     2  8263
8266  8265  H     16.167517   -1.092982   18.592258     2  8263
8267  8266  O     20.374750   -2.994950   15.586080     1  8267  8268
8268  8267  H     19.425683   -3.008491   15.598394     2  8266
8269  8268  H     20.718815   -3.806271   15.233503     2  8266
8270  8269  O     14.814731    1.132498   18.006371     1  8270  8271
8271  8270  H     14.841432    0.208256   18.355677     2  8269
8272  8271  H     15.598987    1.608767   18.299383     2  8269
8273  8272  O     11.787556    4.488291   21.255709     1  8273  8274
8274  8273  H     12.684319    4.780454   21.333977     2  8272
8275  8274  H     11.271794    4.939455   21.900024     2  8272
8276  8275  O     10.196971   -4.568267    8.225338     1  8276  8277
8277  8276  H     10.927231   -4.444220    8.868468     2  8275
8278  8277  H      9.619245   -5.218016    8.642183     2  8275
8279  8278  O      8.700617   -5.151976   16.142204     1  8279  8280
8280  8279  H      9.414559   -5.476719   16.631952     2  8278
8281  8280  H      9.005009   -4.277450   15.736875     2  8278
8282  8281  O     13.053921   -3.087660   22.965481     1  8282  8283
8283  8282  H     13.683763   -3.816833   23.034886     2  8281
8284  8283  H     12.725142   -3.058918   22.035226     2  8281
8285  8284  O     14.202396   -0.201409   15.560173     1  8285  8286
8286  8285  H     14.542304    0.324251   16.354528     2  8284
8287  8286  H     14.903055   -0.201389   14.928775     2  8284
8288  8287  O     11.357353   -0.800994   15.126765     1  8288  8289
8289  8288  H     10.876445   -0.278866   15.785258     2  8287
8290  8289  H     12.327418   -0.538602   15.201688     2  8287
8291  8290  O     15.127264    6.049381   13.424389     1  8291  8292
8292  8291  H     15.417492    5.138070   13.751426     2  8290
8293  8292  H     15.949966    6.603914   13.465051     2  8290
8294  8293  O     23.226887   -5.673189    7.680510     1  8294  8295
8295  8294  H     22.630098   -5.437115    6.990097     2  8293
8296  8295  H     22.682332   -5.385746    8.432962     2  8293
8297  8296  O      9.590789    2.985639   23.356537     1  8297  8298
8298  8297  H      9.463266    2.089145   23.106637     2  8296
8299  8298  H      9.575572    3.503100   22.565456     2  8296
8300  8299  O     14.946572    6.290840  -17.258663     1  8300  8301
8301  8300  H     14.827350    6.399986  -16.296894     2  8299
8302  8301  H     14.327704    5.580757  -17.494306     2  8299
8303  8302  O    -11.846203   -7.587596   20.471609     1  8303  8304
8304  8303  H    -11.362807   -6.890051   20.013530     2  8302
8305  8304  H    -12.670282   -7.133580   20.863186     2  8302
8306  8305  O     11.370445    8.403528  -17.499955     1  8306  8307
8307  8306  H     12.346911    8.454212  -17.489291     2  8305
8308  8307  H     11.222289    7.420309  -17.367941     2  8305
8309  8308  O     18.205755   12.525201   -9.632721     1  8309  8310
8310  8309  H     17.895137   11.784056   -9.043191     2  8308
8311  8310  H     19.127430   12.594593   -9.631170     2  8308
8312  8311  O      7.998743   12.177319  -17.134808     1  8312  8313
8313  8312  H      8.542906   12.345552  -17.945186     2  8311
8314  8313  H      8.386762   11.506900  -16.577402     2  8311
8315  8314  O      7.350092   13.948759  -13.520859     1  8315  8316
8316  8315  H      8.080068   13.460142  -13.109820     2  8314
8317  8316  H      6.594408   13.353539  -13.685965     2  8314
8318  8317  O    -13.770830  -12.824287   13.333624     1  8318  8319
8319  8318  H    -14.314135  -12.623123   12.579685     2  8317
8320  8319  H    -14.342453  -12.774772   14.132037     2  8317
8321  8320  O      9.625387   10.035167  -13.170753     1  8321  8322
8322  8321  H     10.553954    9.661445  -13.058917     2  8320
8323  8322  H      9.457242   10.179985  -14.126841     2  8320
8324  8323  O     15.228016   14.562164   -9.346748     1  8324  8325
8325  8324  H     14.590044   15.092790   -8.861062     2  8323
8326  8325  H     16.053666   14.751084   -8.909376     2  8323
8327  8326  O     10.039828   16.849252  -13.826408     1  8327  8328
8328  8327  H      9.080765   17.059513  -13.924089     2  8326
8329  8328  H     10.206623   15.926705  -14.053143     2  8326
8330  8329  O     13.986682   12.619019  -10.738792     1  8330  8331
8331  8330  H     13.381279   11.935027  -10.411008     2  8329
8332  8331  H     14.456167   13.013545   -9.973201     2  8329
8333  8332  O     12.098817   10.880522   -9.434773     1  8333  8334
8334  8333  H     12.219051    9.974463   -9.129259     2  8332
8335  8334  H     11.126700   10.891928   -9.414581     2  8332
8336  8335  O     13.447480   17.551695  -10.718027     1  8336  8337
8337  8336  H     13.980763   17.467776   -9.889306     2  8335
8338  8337  H     12.765585   16.885811  -10.602423     2  8335
8339  8338  O     13.923618    9.892082  -15.115949     1  8339  8340
8340  8339  H     14.066499    9.985427  -16.078799     2  8338
8341  8340  H     14.667686   10.279475  -14.682727     2  8338
8342  8341  O      9.962654   12.892101  -12.432347     1  8342  8343
8343  8342  H     10.579047   13.470642  -12.878955     2  8341
8344  8343  H      9.928982   11.983605  -12.711152     2  8341
8345  8344  O      7.471381   16.710544  -14.383464     1  8345  8346
8346  8345  H      7.281914   15.978082  -13.733323     2  8344
8347  8346  H      7.598580   16.245115  -15.248075     2  8344
8348  8347  O     15.318490   10.228974   -8.298934     1  8348  8349
8349  8348  H     15.680901   11.022681   -7.904879     2  8347
8350  8349  H     15.860046    9.998916   -9.087926     2  8347
8351  8350  O     18.048582   15.213679   -8.208472     1  8351  8352
8352  8351  H     17.932154   14.817837   -7.317772     2  8350
8353  8352  H     18.278765   14.404280   -8.786994     2  8350
8354  8353  O     19.280765    9.363195  -11.424861     1  8354  8355
8355  8354  H     19.764928    9.741700  -12.128881     2  8353
8356  8355  H     19.908055    9.148187  -10.678883     2  8353
8357  8356  O     16.315572   11.605318  -12.014871     1  8357  8358
8358  8357  H     15.576533   12.030118  -11.633152     2  8356
8359  8358  H     17.102018   12.183597  -11.950787     2  8356
8360  8359  O     14.475437   10.081044    6.062095     1  8360  8361
8361  8360  H     13.583121   10.492528    5.934745     2  8359
8362  8361  H     14.845331    9.736691    5.209650     2  8359
8363  8362  O     12.245807   15.684182    8.252817     1  8363  8364
8364  8363  H     11.461196   15.173212    7.952826     2  8362
8365  8364  H     11.955481   16.216194    8.998821     2  8362
8366  8365  O     15.341887   12.352245   -2.635955     1  8366  8367
8367  8366  H     14.934300   12.633339   -1.863592     2  8365
8368  8367  H     16.351835   12.519280   -2.648638     2  8365
8369  8368  O     10.288955   13.825594    6.757739     1  8369  8370
8370  8369  H     10.237027   12.863523    6.818626     2  8368
8371  8370  H      9.430059   14.060187    7.047310     2  8368
8372  8371  O     13.926261   15.986406   -0.751918     1  8372  8373
8373  8372  H     13.059111   16.099155   -1.099672     2  8371
8374  8373  H     13.983133   16.463793    0.051952     2  8371
8375  8374  O     14.276963   13.260833   -0.249804     1  8375  8376
8376  8375  H     13.507136   12.805399    0.124992     2  8374
8377  8376  H     14.000068   14.188341   -0.408202     2  8374
8378  8377  O    -17.921567   -4.037484   18.726965     1  8378  8379
8379  8378  H    -18.222582   -4.164319   19.679418     2  8377
8380  8379  H    -18.674773   -3.638778   18.247319     2  8377
8381  8380  O     11.776243   20.636155    7.839114     1  8381  8382
8382  8381  H     12.448254   20.880011    7.110027     2  8380
8383  8382  H     11.445626   21.521295    8.065733     2  8380
8384  8383  O     -8.256649  -12.250406  -16.402705     1  8384  8385
8385  8384  H     -8.607239  -13.137504  -16.328613     2  8383
8386  8385  H     -7.734782  -12.179213  -17.214199     2  8383
8387  8386  O     12.382498   12.140384    1.581874     1  8387  8388
8388  8387  H     11.778426   11.341140    1.219616     2  8386
8389  8388  H     11.741362   12.643022    2.101852     2  8386
8390  8389  O     11.237505    9.726554    0.340067     1  8390  8391
8391  8390  H     11.179510    9.769861   -0.603258     2  8389
8392  8391  H     10.952902    8.838069    0.604778     2  8389
8393  8392  O     11.602794   16.200164   -6.097050     1  8393  8394
8394  8393  H     11.587880   15.322721   -5.793877     2  8392
8395  8394  H     12.137145   16.750517   -5.505659     2  8392
8396  8395  O     14.075272   12.408787    3.971773     1  8396  8397
8397  8396  H     14.877836   11.883582    3.973249     2  8395
8398  8397  H     13.578175   12.306184    3.114856     2  8395
8399  8398  O     21.125198   12.326941    3.275364     1  8399  8400
8400  8399  H     21.833607   12.035334    2.660876     2  8398
8401  8400  H     21.513957   13.029903    3.822301     2  8398
8402  8401  O     12.001924   17.976504    5.458129     1  8402  8403
8403  8402  H     12.249025   18.519187    4.656872     2  8401
8404  8403  H     11.075573   18.012124    5.440582     2  8401
8405  8404  O     27.444240    7.341664    3.356860     1  8405  8406
8406  8405  H     27.110573    8.105281    3.881994     2  8404
8407  8406  H     28.242028    7.081956    3.802779     2  8404
8408  8407  O     11.652410   20.029237   -5.347546     1  8408  8409
8409  8408  H     12.459348   19.761331   -4.875353     2  8407
8410  8409  H     11.990787   20.370860   -6.218256     2  8407
8411  8410  O    -27.280925   13.988222    0.512367     1  8411  8412
8412  8411  H    -27.604220   14.255457   -0.382999     2  8410
8413  8412  H    -26.438125   13.627789    0.290297     2  8410
8414  8413  O     14.207231   15.235485    3.833200     1  8414  8415
8415  8414  H     14.287059   15.615757    4.717538     2  8413
8416  8415  H     14.184004   14.253268    3.865820     2  8413
8417  8416  O      8.645232   19.239300   -2.323051     1  8417  8418
8418  8417  H      9.437995   19.787160   -2.192133     2  8416
8419  8418  H      7.838806   19.716688   -1.990214     2  8416
8420  8419  O     14.484013    9.622272   -2.746248     1  8420  8421
8421  8420  H     14.827881   10.498972   -2.962122     2  8419
8422  8421  H     15.337827    9.174347   -2.863554     2  8419
8423  8422  O     15.848979   16.200049   -2.883518     1  8423  8424
8424  8423  H     16.715200   16.548314   -2.571721     2  8422
8425  8424  H     15.332303   16.131370   -2.054208     2  8422
8426  8425  O     11.192807   15.990227   -1.718762     1  8426  8427
8427  8426  H     10.716378   15.627389   -0.930649     2  8425
8428  8427  H     10.621297   15.979805   -2.508454     2  8425
8429  8428  O     18.400522   17.764154    2.206971     1  8429  8430
8430  8429  H     19.299509   17.928939    1.875237     2  8428
8431  8430  H     18.300672   16.909528    1.756221     2  8428
8432  8431  O     13.249057   12.953870    7.199035     1  8432  8433
8433  8432  H     12.517996   12.747319    6.604362     2  8431
8434  8433  H     13.263442   12.218544    7.734702     2  8431
8435  8434  O     17.024618   14.197657    9.161550     1  8435  8436
8436  8435  H     17.312467   13.878427    8.296509     2  8434
8437  8436  H     17.791617   14.016831    9.717927     2  8434
8438  8437  O     -9.465256   -6.318467   25.320819     1  8438  8439
8439  8438  H     -8.598748   -6.822983   25.107000     2  8437
8440  8439  H    -10.216851   -6.941934   25.290627     2  8437
8441  8440  O     24.707341   15.687418    1.239666     1  8441  8442
8442  8441  H     24.235285   16.071399    2.052771     2  8440
8443  8442  H     25.332445   16.276838    0.910481     2  8440
8444  8443  O     20.101275   14.832066    6.764502     1  8444  8445
8445  8444  H     19.955451   15.789239    6.554081     2  8443
8446  8445  H     21.009338   14.619917    6.349041     2  8443
8447  8446  O     17.315448   15.000920   -5.160272     1  8447  8448
8448  8447  H     16.834045   15.261661   -4.324491     2  8446
8449  8448  H     16.497503   14.965560   -5.716372     2  8446
8450  8449  O     17.174479   13.357622    4.151934     1  8450  8451
8451  8450  H     16.501197   13.848521    3.716319     2  8449
8452  8451  H     17.028590   13.475883    5.114763     2  8449
8453  8452  O     11.752556   22.109440   -1.502950     1  8453  8454
8454  8453  H     12.280841   21.345668   -1.718982     2  8452
8455  8454  H     12.345227   22.840940   -1.589964     2  8452
8456  8455  O     17.151764   15.833135    0.677761     1  8456  8457
8457  8456  H     17.238369   14.824878    0.706881     2  8455
8458  8457  H     16.253966   16.046002    0.870610     2  8455
8459  8458  O     25.528364   13.053941    1.296334     1  8459  8460
8460  8459  H     26.079368   13.192011    0.550462     2  8458
8461  8460  H     25.068418   13.919373    1.357759     2  8458
8462  8461  O     12.711073   15.644613   -8.514920     1  8462  8463
8463  8462  H     12.424016   16.067301   -7.726347     2  8461
8464  8463  H     12.040501   14.953113   -8.733673     2  8461
8465  8464  O     22.027913   10.162528    7.160664     1  8465  8466
8466  8465  H     21.416657    9.764315    6.510541     2  8464
8467  8466  H     22.733683    9.455387    7.131141     2  8464
8468  8467  O     20.627264   16.961676    0.666699     1  8468  8469
8469  8468  H     20.572919   16.422844    1.460768     2  8467
8470  8469  H     21.049792   16.349949    0.089593     2  8467
8471  8470  O     17.922251   10.097065   -8.066985     1  8471  8472
8472  8471  H     18.448607    9.341067   -8.146750     2  8470
8473  8472  H     17.687366   10.116166   -7.110442     2  8470
8474  8473  O     14.297276    9.055537   -0.039756     1  8474  8475
8475  8474  H     14.281498    9.379776   -0.987775     2  8473
8476  8475  H     13.483886    9.476554    0.328976     2  8473
8477  8476  O     14.112448   16.549239    6.300870     1  8477  8478
8478  8477  H     13.374241   17.150315    5.998855     2  8476
8479  8478  H     13.680570   16.181506    7.095967     2  8476
8480  8479  O     -7.763090   -6.661224  -26.626244     1  8480  8481
8481  8480  H     -7.659694   -6.714296  -25.669263     2  8479
8482  8481  H     -8.669067   -6.255730  -26.684195     2  8479
8483  8482  O     11.328828   12.694970   -6.707051     1  8483  8484
8484  8483  H     11.309572   12.876611   -7.657534     2  8482
8485  8484  H     11.888135   11.981539   -6.445692     2  8482
8486  8485  O     15.322844   12.871759   -5.673153     1  8486  8487
8487  8486  H     14.915551   13.625439   -5.986429     2  8485
8488  8487  H     15.162659   12.970300   -4.695058     2  8485
8489  8488  O     19.183137   13.935509    2.319165     1  8489  8490
8490  8489  H     18.338027   13.832807    2.796846     2  8488
8491  8490  H     19.806039   13.227889    2.606138     2  8488
8492  8491  O    -27.578535    8.070323    0.625267     1  8492  8493
8493  8492  H    -27.168379    8.980122    0.589668     2  8491
8494  8493  H    -27.872323    8.013101    1.556875     2  8491
8495  8494  O     13.018533   25.370000    0.456236     1  8495  8496
8496  8495  H     12.427190   24.830074    1.004538     2  8494
8497  8496  H     12.474674   26.153401    0.197153     2  8494
8498  8497  O     19.210664   11.838461   -0.014784     1  8498  8499
8499  8498  H     19.484010   12.275774    0.761403     2  8497
8500  8499  H     20.031491   11.891841   -0.525657     2  8497
8501  8500  O      8.091980   16.044057   -6.863283     1  8501  8502
8502  8501  H      7.152127   16.078696   -6.650370     2  8500
8503  8502  H      8.515366   16.763719   -6.433417     2  8500
8504  8503  O     17.268791   11.429536    9.432890     1  8504  8505
8505  8504  H     17.861687   11.718904    8.692989     2  8503
8506  8505  H     16.510354   12.080368    9.438698     2  8503
8507  8506  O     16.572946   19.678825   -2.774834     1  8507  8508
8508  8507  H     16.746373   18.923596   -2.172812     2  8506
8509  8508  H     15.978586   20.213814   -2.299182     2  8506
8510  8509  O     11.836714   16.214048    2.613816     1  8510  8511
8511  8510  H     12.602825   15.889499    3.116123     2  8509
8512  8511  H     11.393058   15.410265    2.264885     2  8509
8513  8512  O     11.396294   27.637736    0.564912     1  8513  8514
8514  8513  H     11.990510   28.278380    0.986501     2  8512
8515  8514  H     10.467426   27.970494    0.606384     2  8512
8516  8515  O      9.102889   10.889242   -8.075331     1  8516  8517
8517  8516  H      8.601877   11.576681   -8.551006     2  8515
8518  8517  H      9.465339   11.376431   -7.305141     2  8515
8519  8518  O     12.772062   20.480644   -7.992463     1  8519  8520
8520  8519  H     12.919050   21.375284   -8.155146     2  8518
8521  8520  H     12.167437   20.250119   -8.704696     2  8518
8522  8521  O     18.282577    7.629488   -7.419127     1  8522  8523
8523  8522  H     17.442334    7.496198   -6.887732     2  8521
8524  8523  H     18.326986    6.934171   -8.120015     2  8521
8525  8524  O     14.792300   17.140354    1.742707     1  8525  8526
8526  8525  H     15.338226   17.830381    2.211731     2  8524
8527  8526  H     14.676430   16.415883    2.363337     2  8524
8528  8527  O      8.821701   10.439136    2.666801     1  8528  8529
8529  8528  H      9.740171   10.419427    2.943839     2  8527
8530  8529  H      8.404396   11.188027    3.129447     2  8527
8531  8530  O     11.351890   20.834768    1.161854     1  8531  8532
8532  8531  H     11.427741   21.427078    0.373983     2  8530
8533  8532  H     11.909519   21.307903    1.790079     2  8530
8534  8533  O     11.223972   11.272046    6.514028     1  8534  8535
8535  8534  H     10.912342   10.975670    5.625682     2  8533
8536  8535  H     10.982001   10.641259    7.167291     2  8533
8537  8536  O     13.213424   10.796342   -6.167734     1  8537  8538
8538  8537  H     14.043952   11.216975   -5.919646     2  8536
8539  8538  H     13.399553   10.434210   -7.004675     2  8536
8540  8539  O     22.504850   15.091771   -0.453027     1  8540  8541
8541  8540  H     23.264913   15.288937    0.122534     2  8539
8542  8541  H     22.780437   15.297842   -1.411335     2  8539
8543  8542  O     17.763885   17.557716   -1.342085     1  8543  8544
8544  8543  H     17.716566   16.850044   -0.674604     2  8542
8545  8544  H     18.569066   18.002497   -1.006615     2  8542
8546  8545  O     10.831566   10.480831   -2.281070     1  8546  8547
8547  8546  H     10.782214   11.461088   -2.272112     2  8545
8548  8547  H     10.544485   10.153595   -3.179905     2  8545
8549  8548  O     21.292445   12.934810   -4.372413     1  8549  8550
8550  8549  H     20.575017   13.091544   -5.013130     2  8548
8551  8550  H     21.571809   13.775660   -3.939049     2  8548
8552  8551  O     12.297261   18.439633    0.655917     1  8552  8553
8553  8552  H     11.752485   19.208291    0.603517     2  8551
8554  8553  H     11.796317   17.640512    0.824735     2  8551
8555  8554  O     22.010043   10.756927   -6.964569     1  8555  8556
8556  8555  H     21.417255   11.526619   -6.761861     2  8554
8557  8556  H     21.479371    9.904897   -6.804973     2  8554
8558  8557  O     11.286267   10.476834    3.945737     1  8558  8559
8559  8558  H     12.082774   11.040803    3.908588     2  8557
8560  8559  H     11.652468    9.602338    4.024865     2  8557
8561  8560  O     11.677568   17.018206   10.522791     1  8561  8562
8562  8561  H     12.231067   17.781324   10.659595     2  8560
8563  8562  H     11.388136   16.605966   11.367422     2  8560
8564  8563  O     25.614294   10.747003   -0.632693     1  8564  8565
8565  8564  H     25.120993    9.935522   -0.672672     2  8563
8566  8565  H     26.514227   10.377022   -0.338019     2  8563
8567  8566  O     20.727723   13.217708   -7.609811     1  8567  8568
8568  8567  H     20.996701   14.150310   -7.500784     2  8566
8569  8568  H     19.859547   13.060499   -7.275345     2  8566
8570  8569  O     15.675875   18.743529    5.952190     1  8570  8571
8571  8570  H     16.558791   18.797078    6.356966     2  8569
8572  8571  H     15.354312   17.910524    6.329316     2  8569
8573  8572  O     13.379051   14.331154   -3.600707     1  8573  8574
8574  8573  H     13.396584   15.265333   -3.928343     2  8572
8575  8574  H     14.135474   14.291079   -2.966496     2  8572
8576  8575  O     19.845585   14.836640   -1.489674     1  8576  8577
8577  8576  H     20.742929   14.673088   -1.077752     2  8575
8578  8577  H     20.054738   15.358191   -2.231822     2  8575
8579  8578  O     26.201698    9.793783    4.455996     1  8579  8580
8580  8579  H     26.429616   10.331475    5.226131     2  8578
8581  8580  H     26.493737   10.351667    3.748128     2  8578
8582  8581  O     20.650448    8.449629   -6.312446     1  8582  8583
8583  8582  H     21.257646    8.297919   -5.577213     2  8581
8584  8583  H     20.171580    7.597771   -6.348771     2  8581
8585  8584  O     16.438167    8.280328    1.767046     1  8585  8586
8586  8585  H     15.678696    8.641135    1.268051     2  8584
8587  8586  H     17.180338    8.881504    1.663349     2  8584
8588  8587  O     23.912684   12.396895   -1.664040     1  8588  8589
8589  8588  H     24.688846   12.187137   -1.202090     2  8587
8590  8589  H     24.010855   13.327147   -1.915618     2  8587
8591  8590  O     15.418911   21.305759    1.557344     1  8591  8592
8592  8591  H     16.083238   21.641457    0.975030     2  8590
8593  8592  H     15.794857   20.668429    2.213910     2  8590
8594  8593  O     13.733600   17.352686   -4.340539     1  8594  8595
8595  8594  H     13.454116   17.838765   -3.499643     2  8593
8596  8595  H     14.759575   17.256069   -4.297280     2  8593
8597  8596  O     18.794136   12.630441   -5.727419     1  8597  8598
8598  8597  H     18.222273   13.380808   -5.412206     2  8596
8599  8598  H     18.416663   11.830284   -5.392266     2  8596
8600  8599  O     15.288377   17.397283   -8.499058     1  8600  8601
8601  8600  H     16.211214   17.187829   -8.718525     2  8599
8602  8601  H     15.315962   18.358145   -8.422303     2  8599
8603  8602  O      9.102448   13.660741   -5.164062     1  8603  8604
8604  8603  H      8.685281   14.242748   -5.795497     2  8602
8605  8604  H      9.835365   13.219671   -5.679741     2  8602
8606  8605  O      7.465877   11.370852    6.458927     1  8606  8607
8607  8606  H      7.117961   10.473263    6.532987     2  8605
8608  8607  H      8.204652   11.322906    7.025631     2  8605
8609  8608  O     22.974136   11.334653    1.382335     1  8609  8610
8610  8609  H     22.789413   10.567607    0.802172     2  8608
8611  8610  H     23.754438   11.783697    1.188179     2  8608
8612  8611  O     21.325147   11.753400   -1.887913     1  8612  8613
8613  8612  H     21.207475   12.257705   -2.700822     2  8611
8614  8613  H     22.196435   11.953596   -1.599791     2  8611
8615  8614  O     19.031585   11.151146    4.709955     1  8615  8616
8616  8615  H     19.844413   11.436297    4.276111     2  8614
8617  8616  H     19.197614   10.247684    4.897365     2  8614
8618  8617  O     16.239967   19.144857    3.279988     1  8618  8619
8619  8618  H     16.232347   19.101494    4.223832     2  8617
8620  8619  H     17.118326   18.850468    3.002814     2  8617
8621  8620  O     10.798517   13.436771    3.565326     1  8621  8622
8622  8621  H      9.866941   13.208496    3.778008     2  8620
8623  8622  H     11.137596   13.709538    4.415877     2  8620
8624  8623  O    -27.584364   10.665671    0.141776     1  8624  8625
8625  8624  H    -27.749031   11.203799    0.935536     2  8623
8626  8625  H    -26.878126   11.205051   -0.216727     2  8623
8627  8626  O     13.323582   19.018227    3.373716     1  8627  8628
8628  8627  H     13.142191   18.739826    2.489386     2  8626
8629  8628  H     14.260117   18.837480    3.531150     2  8626
8630  8629  O     13.531777    9.683653    9.785276     1  8630  8631
8631  8630  H     13.592720    9.054164   10.544420     2  8629
8632  8631  H     13.762232    9.090490    9.137640     2  8629
8633  8632  O     18.076942   12.748034   -2.883558     1  8633  8634
8634  8633  H     18.300840   12.781756   -1.922291     2  8632
8635  8634  H     18.233160   13.654501   -3.210901     2  8632
8636  8635  O     12.557788   18.389012   -2.118144     1  8636  8637
8637  8636  H     11.939732   17.684213   -1.997907     2  8635
8638  8637  H     12.846555   18.751139   -1.337078     2  8635
8639  8638  O     14.411297   14.914256    9.968848     1  8639  8640
8640  8639  H     13.838320   15.052184    9.203633     2  8638
8641  8640  H     15.225032   14.516899    9.631477     2  8638
8642  8641  O     17.031429   10.831776    2.761134     1  8642  8643
8643  8642  H     17.537972   10.988236    3.593955     2  8641
8644  8643  H     17.071382   11.716896    2.414984     2  8641
8645  8644  O     13.690649   24.039057   -1.733976     1  8645  8646
8646  8645  H     14.588220   24.272613   -2.009324     2  8644
8647  8646  H     13.601057   24.551849   -0.895049     2  8644
8648  8647  O     10.548293   13.791323   -9.486967     1  8648  8649
8649  8648  H     10.327486   13.186216  -10.236489     2  8647
8650  8649  H      9.826544   14.356385   -9.373247     2  8647
8651  8650  O     10.775710   13.371011   -2.823669     1  8651  8652
8652  8651  H     10.234974   13.549053   -3.604956     2  8650
8653  8652  H     11.595738   13.859944   -2.971536     2  8650
8654  8653  O     16.252720    9.025456    7.964088     1  8654  8655
8655  8654  H     15.522569    9.306352    7.368545     2  8653
8656  8655  H     16.502601    9.831619    8.471471     2  8653
8657  8656  O     16.332548   14.359442    6.561074     1  8657  8658
8658  8657  H     15.408244   14.033456    6.523900     2  8656
8659  8658  H     16.235307   15.279446    6.732539     2  8656
8660  8659  O     22.327449    8.866906    0.184145     1  8660  8661
8661  8660  H     23.189538    8.481041   -0.034902     2  8659
8662  8661  H     21.993754    8.869876   -0.744372     2  8659
8663  8662  O     14.159251   21.828626   -5.866945     1  8663  8664
8664  8663  H     14.767640   21.862949   -5.125936     2  8662
8665  8664  H     13.999121   22.758579   -6.135546     2  8662
8666  8665  O     14.709833   15.386534   -6.421946     1  8666  8667
8667  8666  H     14.751052   16.040968   -7.136271     2  8665
8668  8667  H     13.914722   15.624186   -5.960355     2  8665
8669  8668  O     27.288170   11.526310    2.673717     1  8669  8670
8670  8669  H     26.649403   12.063745    2.164258     2  8668
8671  8670  H     27.983876   12.167667    2.916187     2  8668
8672  8671  O     23.806738    9.027301    3.241027     1  8672  8673
8673  8672  H     23.686395    9.815938    2.606951     2  8671
8674  8673  H     24.591220    9.272982    3.746968     2  8671
8675  8674  O     18.899762   12.200213    7.288634     1  8675  8676
8676  8675  H     18.937620   12.016710    6.369020     2  8674
8677  8676  H     19.089925   13.127353    7.258476     2  8674
8678  8677  O     11.700013   21.706970    4.177624     1  8678  8679
8679  8678  H     10.990333   22.220180    4.606512     2  8677
8680  8679  H     11.285903   20.992042    3.698437     2  8677
8681  8680  O    -13.794945  -16.675357  -10.984946     1  8681  8682
8682  8681  H    -13.093096  -17.308463  -11.263749     2  8680
8683  8682  H    -14.634023  -17.070374  -11.213377     2  8680
8684  8683  O      9.024911    9.846640   16.743535     1  8684  8685
8685  8684  H      9.320021    8.956930   16.619107     2  8683
8686  8685  H      9.792547   10.289241   17.090856     2  8683
8687  8686  O      4.487784   11.375137   20.964633     1  8687  8688
8688  8687  H      4.619662   12.135012   21.605741     2  8686
8689  8688  H      3.526073   11.125193   21.158367     2  8686
8690  8689  O     14.868203   12.124043   10.705070     1  8690  8691
8691  8690  H     14.732887   11.118481   10.546660     2  8689
8692  8691  H     14.003691   12.584887   10.565357     2  8689
8693  8692  O     -9.112941  -14.651582  -16.652141     1  8693  8694
8694  8693  H     -9.900248  -14.935567  -16.106741     2  8692
8695  8694  H     -8.563536  -15.410915  -16.962956     2  8692
8696  8695  O     14.429466    9.806234   12.907036     1  8696  8697
8697  8696  H     14.617192   10.209296   13.774859     2  8695
8698  8697  H     13.600435    9.402766   12.910926     2  8695
8699  8698  O     -9.672638  -17.485818  -14.125373     1  8699  8700
8700  8699  H     -9.153621  -17.801748  -14.847004     2  8698
8701  8700  H    -10.141689  -16.726171  -14.508660     2  8698
8702  8701  O     10.668355   15.639408   12.806061     1  8702  8703
8703  8702  H      9.730844   15.642940   13.032709     2  8701
8704  8703  H     11.093501   15.737711   13.666270     2  8701
8705  8704  O     12.133595   13.485216   10.797987     1  8705  8706
8706  8705  H     12.834065   14.175674   10.589500     2  8704
8707  8706  H     11.806592   13.723825   11.659144     2  8704
8708  8707  O      8.133569   15.997349   13.432261     1  8708  8709
8709  8708  H      8.184419   15.697976   14.392786     2  8707
8710  8709  H      7.568671   15.342026   13.021878     2  8707
8711  8710  O     -5.217752  -14.820300  -18.268563     1  8711  8712
8712  8711  H     -5.385301  -13.845335  -18.329822     2  8710
8713  8712  H     -6.042118  -15.224792  -18.195251     2  8710
8714  8713  O     15.718376    9.619286   15.426548     1  8714  8715
8715  8714  H     16.577722    9.617619   15.028333     2  8713
8716  8715  H     15.299800    8.809981   15.201453     2  8713
8717  8716  O     13.605135    7.471444   17.823534     1  8717  8718
8718  8717  H     13.681854    7.480786   16.867442     2  8716
8719  8718  H     13.144416    6.703767   17.946435     2  8716
8720  8719  O    -11.272320  -15.345882  -15.044183     1  8720  8721
8721  8720  H    -11.711945  -14.730052  -14.452359     2  8719
8722  8721  H    -11.924644  -15.630368  -15.736238     2  8719
8723  8722  O     18.938188   10.050163   11.098736     1  8723  8724
8724  8723  H     19.679510   10.290242   10.521385     2  8722
8725  8724  H     18.129405   10.415081   10.687118     2  8722
8726  8725  O     10.921953   13.062432   15.306513     1  8726  8727
8727  8726  H     10.643913   13.978802   15.411666     2  8725
8728  8727  H     11.684501   13.137766   14.741488     2  8725
8729  8728  O      9.136055   12.025096    8.982986     1  8729  8730
8730  8729  H      9.937616   11.548428    9.347048     2  8728
8731  8730  H      9.418316   12.970324    9.022024     2  8728
8732  8731  O     13.670434   13.149943   14.942496     1  8732  8733
8733  8732  H     13.991070   12.749911   15.794007     2  8731
8734  8733  H     14.416056   13.604425   14.477111     2  8731
8735