1  4800  Water Cubic Box (36.342 Ang, 1600 TIP3P)
2     1  O      7.801866   15.203752   -3.825662     1     2     3
3     2  H      7.593339   15.479832   -4.718147     2     1
4     3  H      7.125906   14.561598   -3.608981     2     1
5     4  O    -17.850035    8.459260   -8.645465     1     5     6
6     5  H    -17.441620    8.299282   -9.496251     2     4
7     6  H    -17.131874    8.755980   -8.086506     2     4
8     7  O      5.288577  -17.872426  -11.447375     1     8     9
9     8  H      5.725156  -18.100262  -12.268180     2     7
10     9  H      5.669130  -18.466271  -10.800259     2     7
11    10  O     17.206192   -1.653711   15.459111     1    11    12
12    11  H     16.249850   -1.613440   15.454617     2    10
13    12  H     17.450838   -1.447485   16.361248     2    10
14    13  O     -3.868507  -11.175765   -6.380520     1    14    15
15    14  H     -3.903604  -10.268331   -6.683119     2    13
16    15  H     -4.771821  -11.384436   -6.142373     2    13
17    16  O    -11.131108  -12.368047    5.430244     1    17    18
18    17  H    -10.863367  -12.796055    4.617006     2    16
19    18  H    -12.087066  -12.416313    5.423388     2    16
20    19  O    -14.909497   15.709560  -17.816201     1    20    21
21    20  H    -15.183167   15.052713  -18.456427     2    19
22    21  H    -15.647431   16.317089  -17.765263     2    19
23    22  O     -6.755676    9.163157   -0.822098     1    23    24
24    23  H     -6.012507    8.781658   -0.354775     2    22
25    24  H     -6.358122    9.699040   -1.508401     2    22
26    25  O     -1.940231   -4.760434   16.810792     1    26    27
27    26  H     -2.460424   -4.575466   16.028859     2    25
28    27  H     -1.445071   -3.955989   16.965450     2    25
29    28  O      9.672998    3.435563   10.232443     1    29    30
30    29  H     10.470825    3.957866   10.315534     2    28
31    30  H      9.094160    3.771031   10.917016     2    28
32    31  O     -1.420708   -1.877167    3.079961     1    32    33
33    32  H     -2.227188   -1.664873    2.610116     2    31
34    33  H     -1.696663   -2.480488    3.769949     2    31
35    34  O     11.623842   -9.074626    3.540071     1    35    36
36    35  H     11.601589   -9.352170    4.455880     2    34
37    36  H     10.842655   -9.467895    3.151072     2    34
38    37  O     -0.592521    3.982819   -7.133451     1    38    39
39    38  H     -0.975071    4.356907   -7.927143     2    37
40    39  H     -1.308251    3.985315   -6.497875     2    37
41    40  O     17.305708   -8.201322   17.594420     1    41    42
42    41  H     16.605571   -8.537481   17.034921     2    40
43    42  H     17.367105   -8.835210   18.309016     2    40
44    43  O     14.427284    3.672699   15.280232     1    44    45
45    44  H     13.751006    2.997596   15.224407     2    43
46    45  H     14.195175    4.301951   14.597297     2    43
47    46  O      9.092890    6.263889   13.699658     1    47    48
48    47  H      8.876750    7.178603   13.880803     2    46
49    48  H     10.047089    6.225316   13.764845     2    46
50    49  O     -2.551476   -1.248604  -11.368315     1    50    51
51    50  H     -2.028768   -0.883470  -12.082238     2    49
52    51  H     -2.851455   -2.095226  -11.699186     2    49
53    52  O      3.480555  -10.451198    9.974735     1    53    54
54    53  H      3.869074  -11.161565   10.485288     2    52
55    54  H      3.275723   -9.775409   10.620945     2    52
56    55  O     17.268132  -13.048060   -1.542484     1    56    57
57    56  H     16.543846  -13.613759   -1.810117     2    55
58    57  H     17.196603  -12.281389   -2.111106     2    55
59    58  O     16.755893   -5.507376    4.489776     1    59    60
60    59  H     17.056341   -5.445796    5.396513     2    58
61    60  H     17.358566   -6.127168    4.078830     2    58
62    61  O     14.674720   -9.867711   -9.081161     1    62    63
63    62  H     15.126830   -9.438752   -8.354646     2    61
64    63  H     13.747825   -9.824265   -8.846193     2    61
65    64  O      9.048856  -14.368900    7.507976     1    65    66
66    65  H      9.594164  -14.265658    8.287856     2    64
67    66  H      9.275011  -15.235424    7.170005     2    64
68    67  O      8.650216   11.609485   -6.513566     1    68    69
69    68  H      7.864047   12.149957   -6.435717     2    67
70    69  H      9.368925   12.238718   -6.574845     2    67
71    70  O     -7.370047   -6.384750  -17.924120     1    71    72
72    71  H     -6.545725   -5.911797  -17.809915     2    70
73    72  H     -7.125625   -7.183656  -18.391281     2    70
74    73  O     -1.465005  -13.734498    0.480197     1    74    75
75    74  H     -1.023149  -13.054349    0.988519     2    73
76    75  H     -0.755367  -14.212676    0.051255     2    73
77    76  O     12.625342   -2.484267  -10.038999     1    77    78
78    77  H     11.822314   -2.105771   -9.681062     2    76
79    78  H     12.559902   -2.337642  -10.982636     2    76
80    79  O    -11.876544  -14.967265    3.808718     1    80    81
81    80  H    -11.099031  -15.515743    3.704422     2    79
82    81  H    -11.685275  -14.180284    3.298512     2    79
83    82  O    -12.514802   16.858549   12.693847     1    83    84
84    83  H    -11.971804   16.163689   13.066078     2    82
85    84  H    -12.932037   17.268871   13.451332     2    82
86    85  O      0.524779   -2.966520  -16.858801     1    86    87
87    86  H      0.781836   -2.064147  -16.669390     2    85
88    87  H      0.071436   -3.257989  -16.067752     2    85
89    88  O      3.244279  -11.504238   -3.897401     1    89    90
90    89  H      2.415715  -11.120354   -3.610438     2    88
91    90  H      3.805111  -11.471483   -3.122399     2    88
92    91  O     -6.516978    9.529733   14.219757     1    92    93
93    92  H     -7.458772    9.446047   14.368933     2    91
94    93  H     -6.301303   10.407763   14.534050     2    91
95    94  O     10.551778    3.014008    3.476848     1    95    96
96    95  H     10.076498    2.545688    2.790541     2    94
97    96  H     11.175148    3.565201    3.003743     2    94
98    97  O    -17.962766  -13.870252    6.501203     1    98    99
99    98  H    -17.796717  -13.585852    7.399967     2    97
100    99  H    -18.811419  -14.311121    6.541910     2    97
101   100  O     -3.926422   -9.698990    8.567637     1   101   102
102   101  H     -4.533978   -9.137483    9.049112     2   100
103   102  H     -3.129554   -9.700603    9.097950     2   100
104   103  O    -17.490763   13.548556   -9.246453     1   104   105
105   104  H    -17.201123   12.658621   -9.045563     2   103
106   105  H    -18.246622   13.689382   -8.676297     2   103
107   106  O      4.870203   14.888318  -17.164932     1   107   108
108   107  H      4.945129   15.659006  -17.727656     2   106
109   108  H      4.049780   14.474376  -17.432871     2   106
110   109  O     -2.905097   -1.774178    5.864416     1   110   111
111   110  H     -3.463872   -1.237167    5.302614     2   109
112   111  H     -3.490441   -2.446777    6.212576     2   109
113   112  O     -0.353697   -8.327182    2.389579     1   113   114
114   113  H      0.186798   -8.650562    3.110359     2   112
115   114  H     -1.139039   -8.873853    2.414519     2   112
116   115  O     -8.964070  -10.731964   17.373696     1   116   117
117   116  H     -9.546641  -11.057726   16.687604     2   115
118   117  H     -9.122465  -11.312052   18.118439     2   115
119   118  O      9.486840   17.748063   -0.079603     1   119   120
120   119  H     10.388556   17.767470   -0.400171     2   118
121   120  H      9.044428   18.444183   -0.565320     2   118
122   121  O      3.994699   -4.157344  -14.916946     1   122   123
123   122  H      4.835845   -4.516652  -15.199088     2   121
124   123  H      3.364615   -4.491929  -15.555130     2   121
125   124  O    -10.724756   -2.084838    5.476597     1   125   126
126   125  H     -9.840109   -2.442513    5.552096     2   124
127   126  H    -10.928714   -1.761789    6.354249     2   124
128   127  O    -14.584111   -5.058263    3.386493     1   128   129
129   128  H    -14.232259   -4.510187    2.685034     2   127
130   129  H    -14.454787   -5.955141    3.078080     2   127
131   130  O     14.487015    6.163217    2.595462     1   131   132
132   131  H     14.056235    7.015078    2.524793     2   130
133   132  H     15.374433    6.315360    2.270542     2   130
134   133  O     -7.086670   -9.622951  -13.816495     1   134   135
135   134  H     -6.616714   -9.760239  -12.993983     2   133
136   135  H     -7.318408  -10.503937  -14.110420     2   133
137   136  O    -13.017468  -11.399407   -2.049307     1   137   138
138   137  H    -12.984199  -11.962837   -2.822399     2   136
139   138  H    -13.190082  -10.524534   -2.397207     2   136
140   139  O      4.865383    2.273776    3.830262     1   140   141
141   140  H      5.583459    2.464346    4.433821     2   139
142   141  H      4.099757    2.166045    4.394570     2   139
143   142  O    -15.265597    1.389197   13.458950     1   143   144
144   143  H    -14.588281    1.300375   12.788439     2   142
145   144  H    -15.870766    2.040348   13.103980     2   142
146   145  O    -16.089285   -1.755499   -7.426345     1   146   147
147   146  H    -16.522373   -2.318861   -6.785026     2   145
148   147  H    -15.159731   -1.968492   -7.343904     2   145
149   148  O     -6.363777  -10.000725   -8.687428     1   149   150
150   149  H     -6.187269  -10.883631   -8.362538     2   148
151   150  H     -6.069549   -9.422688   -7.983485     2   148
152   151  O      7.534315   -7.331885    5.496542     1   152   153
153   152  H      6.767423   -7.105923    6.022899     2   151
154   153  H      8.193926   -6.683413    5.742774     2   151
155   154  O     -9.452741    5.226209    9.167180     1   155   156
156   155  H    -10.406279    5.158936    9.117461     2   154
157   156  H     -9.285976    5.657838   10.005105     2   154
158   157  O     -8.381190   -0.503138   -6.518163     1   158   159
159   158  H     -8.964231   -0.157169   -5.842440     2   157
160   159  H     -8.969905   -0.848358   -7.189333     2   157
161   160  O    -14.461171   15.789010    0.920658     1   161   162
162   161  H    -13.957426   15.500963    1.681908     2   160
163   162  H    -15.319706   16.020882    1.274756     2   160
164   163  O      9.560171    3.574268  -15.269096     1   164   165
165   164  H      9.416593    3.240064  -16.154492     2   163
166   165  H      9.533575    4.526311  -15.364695     2   163
167   166  O      5.681329  -16.570912    5.240184     1   167   168
168   167  H      5.408093  -17.485586    5.310519     2   166
169   168  H      6.041111  -16.495203    4.356409     2   166
170   169  O     -9.310247   -6.890572   -7.109040     1   170   171
171   170  H     -8.958573   -6.002800   -7.042571     2   169
172   171  H    -10.113489   -6.792851   -7.620396     2   169
173   172  O     -6.754554   17.882579  -14.089854     1   173   174
174   173  H     -7.465960   17.598238  -14.663686     2   172
175   174  H     -7.003993   18.765798  -13.817940     2   172
176   175  O    -17.214455   15.521081   -6.965587     1   176   177
177   176  H    -16.469351   15.529314   -6.364767     2   175
178   177  H    -16.991553   14.854352   -7.615218     2   175
179   178  O      1.449913   14.728516   -2.927671     1   179   180
180   179  H      1.295241   15.593837   -3.306521     2   178
181   180  H      1.086738   14.117467   -3.568730     2   178
182   181  O     -1.126238    1.788063  -15.712614     1   182   183
183   182  H     -1.871385    2.295808  -16.033836     2   181
184   183  H     -0.436761    2.436839  -15.571386     2   181
185   184  O    -10.638808    7.212480   -5.877520     1   185   186
186   185  H    -10.075312    7.515501   -5.165562     2   184
187   186  H    -10.058488    6.702010   -6.442217     2   184
188   187  O      4.252341    3.110161   -9.855821     1   188   189
189   188  H      4.292050    3.173501   -8.901544     2   187
190   189  H      3.329968    2.939981  -10.046866     2   187
191   190  O    -14.201874  -10.169559    4.532849     1   191   192
192   191  H    -14.060413  -10.686592    3.739818     2   190
193   192  H    -14.846517  -10.669564    5.033513     2   190
194   193  O     -9.756539   -5.008924   17.723094     1   194   195
195   194  H     -9.125322   -5.714829   17.862725     2   193
196   195  H    -10.609974   -5.441635   17.748414     2   193
197   196  O    -12.198780   -0.383273   -0.914345     1   197   198
198   197  H    -12.083730    0.316399   -0.271340     2   196
199   198  H    -11.970932   -1.183683   -0.441417     2   196
200   199  O     -2.376219  -16.853657   -3.215403     1   200   201
201   200  H     -2.684972  -17.079841   -2.338052     2   199
202   201  H     -2.323112  -15.897937   -3.212154     2   199
203   202  O     -9.973833  -14.040768   17.727916     1   203   204
204   203  H     -9.919069  -13.618055   18.584973     2   202
205   204  H     -9.078168  -14.322328   17.541527     2   202
206   205  O     -0.229752   -9.940212   11.895892     1   206   207
207   206  H      0.575093   -9.430647   11.989704     2   205
208   207  H     -0.740104   -9.464307   11.240691     2   205
209   208  O     11.620866   15.647524   -1.395263     1   209   210
210   209  H     11.068037   14.866717   -1.426141     2   208
211   210  H     11.235444   16.240136   -2.040625     2   208
212   211  O     16.401272   -4.485870   -6.601205     1   212   213
213   212  H     16.154430   -4.578772   -7.521352     2   211
214   213  H     15.678564   -4.885596   -6.117319     2   211
215   214  O    -12.896150  -16.711372   -8.960311     1   215   216
216   215  H    -13.366646  -17.387838   -9.447404     2   214
217   216  H    -12.464555  -17.184319   -8.248777     2   214
218   217  O     -8.670897   13.797455    0.576659     1   218   219
219   218  H     -9.468899   13.278729    0.678389     2   217
220   219  H     -7.981739   13.150516    0.425782     2   217
221   220  O     16.078894    3.062513  -12.822650     1   221   222
222   221  H     16.094054    2.349317  -13.460893     2   220
223   222  H     15.159054    3.323156  -12.775834     2   220
224   223  O    -16.348451    5.638070   17.282873     1   224   225
225   224  H    -17.292766    5.762289   17.378114     2   223
226   225  H    -16.263041    4.854657   16.739547     2   223
227   226  O     -8.689806  -17.601788   10.137951     1   227   228
228   227  H     -8.061929  -18.222979   10.506902     2   226
229   228  H     -8.981173  -17.081694   10.886843     2   226
230   229  O    -13.009515   17.437072   15.351232     1   230   231
231   230  H    -13.593886   18.136078   15.644718     2   229
232   231  H    -13.585244   16.684812   15.213850     2   229
233   232  O     -7.999924   -4.016164   11.017002     1   233   234
234   233  H     -7.659755   -4.180358   11.896524     2   232
235   234  H     -8.405015   -4.843838   10.757982     2   232
236   235  O     10.324366  -14.747062   -6.508919     1   236   237
237   236  H     10.211894  -15.678451   -6.698913     2   235
238   237  H     10.285361  -14.321043   -7.365201     2   235
239   238  O      7.539864   -6.906712    1.186223     1   239   240
240   239  H      7.495110   -7.743970    1.647990     2   238
241   240  H      7.272720   -7.112180    0.290316     2   238
242   241  O    -14.475655  -16.689769   16.005213     1   242   243
243   242  H    -14.218822  -15.965961   16.576502     2   241
244   243  H    -14.527617  -16.299918   15.132545     2   241
245   244  O    -17.345424   -1.679655  -14.514140     1   245   246
246   245  H    -16.917476   -1.090771  -13.892602     2   244
247   246  H    -17.526944   -1.131827  -15.277795     2   244
248   247  O    -17.296435    1.670789    8.305383     1   248   249
249   248  H    -17.984109    1.035080    8.107364     2   247
250   249  H    -17.004793    1.983426    7.448974     2   247
251   250  O      0.381936  -11.489884   16.164045     1   251   252
252   251  H     -0.402255  -11.137130   16.584570     2   250
253   252  H      0.687936  -10.783163   15.595588     2   250
254   253  O    -12.849759   -0.899587   16.339543     1   254   255
255   254  H    -13.440990   -1.638935   16.197976     2   253
256   255  H    -11.977491   -1.292490   16.371297     2   253
257   256  O     -9.443065   15.476317  -17.916130     1   257   258
258   257  H    -10.210062   15.728909  -18.430080     2   256
259   258  H     -8.802088   16.166494  -18.086534     2   256
260   259  O     -9.381376  -11.160429   -7.412925     1   260   261
261   260  H     -9.549956  -10.392736   -7.959242     2   259
262   261  H     -9.092796  -10.799690   -6.574580     2   259
263   262  O    -17.982420  -17.102141    8.848053     1   263   264
264   263  H    -18.660427  -17.771147    8.753347     2   262
265   264  H    -18.435068  -16.275999    8.678254     2   262
266   265  O     -3.938354   -2.917751   -3.569446     1   266   267
267   266  H     -3.690350   -2.210006   -4.164276     2   265
268   267  H     -4.528932   -3.467877   -4.084045     2   265
269   268  O    -14.464543   11.273850   13.585434     1   269   270
270   269  H    -13.872041   12.010574   13.735142     2   268
271   270  H    -15.339241   11.662290   13.601282     2   268
272   271  O     -9.195796   -8.674619   12.154694     1   272   273
273   272  H     -9.788425   -8.657818   11.403201     2   271
274   273  H     -8.892693   -9.581377   12.201073     2   271
275   274  O     -4.711449   -4.489985  -16.559956     1   275   276
276   275  H     -4.583025   -4.544649  -17.506926     2   274
277   276  H     -3.856665   -4.708713  -16.188829     2   274
278   277  O     -2.331477   -3.272082   10.214341     1   278   279
279   278  H     -2.553459   -2.552192    9.623820     2   277
280   279  H     -3.069800   -3.320725   10.821586     2   277
281   280  O      5.737603   10.878763   16.681110     1   281   282
282   281  H      5.764132    9.932776   16.537449     2   280
283   282  H      6.653206   11.154162   16.635730     2   280
284   283  O     -8.884015    7.778518  -13.356839     1   284   285
285   284  H     -8.361510    7.850888  -14.155578     2   283
286   285  H     -8.275613    7.998366  -12.651328     2   283
287   286  O    -12.421098   13.658334   13.313430     1   287   288
288   287  H    -11.671913   13.488036   12.742507     2   286
289   288  H    -12.060022   13.625769   14.199317     2   286
290   289  O    -16.304124  -10.162883   -7.704658     1   290   291
291   290  H    -17.134419  -10.177525   -7.228604     2   289
292   291  H    -15.821178  -10.917684   -7.368098     2   289
293   292  O     -2.929807  -10.542388  -11.852122     1   293   294
294   293  H     -2.956912  -10.767989  -10.922282     2   292
295   294  H     -2.070944  -10.844644  -12.147468     2   292
296   295  O     -3.174381   12.311387   -2.890815     1   296   297
297   296  H     -2.707132   12.022454   -3.674671     2   295
298   297  H     -2.526538   12.813861   -2.396798     2   295
299   298  O     -5.950756  -17.882851   -6.330261     1   299   300
300   299  H     -5.551476  -18.632672   -5.889154     2   298
301   300  H     -6.866538  -17.900630   -6.052305     2   298
302   301  O     11.763548   -2.652481   15.935311     1   302   303
303   302  H     11.897816   -3.231112   15.184717     2   301
304   303  H     11.420429   -3.225046   16.621366     2   301
305   304  O     -2.786694   -4.529762   -9.413326     1   305   306
306   305  H     -3.295845   -5.044621  -10.039359     2   304
307   306  H     -2.073077   -5.110467   -9.149193     2   304
308   307  O     -9.102748  -11.968974  -16.630193     1   308   309
309   308  H     -8.427041  -12.149177  -15.976603     2   307
310   309  H     -9.817783  -11.571865  -16.132940     2   307
311   310  O      0.288160   -1.661549  -12.963154     1   311   312
312   311  H      1.146176   -1.419634  -13.311748     2   310
313   312  H      0.482866   -2.143353  -12.159296     2   310
314   313  O     -7.883632  -15.445176    8.053237     1   314   315
315   314  H     -8.752821  -15.090616    7.866079     2   313
316   315  H     -8.037928  -16.125148    8.709030     2   313
317   316  O      0.789904   -2.816688    7.622495     1   317   318
318   317  H      0.110418   -2.328310    8.087273     2   316
319   318  H      0.923307   -3.603894    8.150456     2   316
320   319  O     14.192100   -5.990339    3.960762     1   320   321
321   320  H     15.119808   -5.882431    4.170395     2   319
322   321  H     13.986411   -5.247698    3.392950     2   319
323   322  O     16.389458   -0.213241    7.588233     1   323   324
324   323  H     15.944626    0.544126    7.968696     2   322
325   324  H     16.071623   -0.250037    6.686092     2   322
326   325  O     -9.741358   15.830105   -0.956012     1   326   327
327   326  H     -9.172185   16.579968   -1.129160     2   325
328   327  H     -9.417503   15.468430   -0.131062     2   325
329   328  O     -5.019747   -9.005857  -16.926496     1   329   330
330   329  H     -4.363201   -9.332349  -16.311206     2   328
331   330  H     -4.817599   -8.075097  -17.021651     2   328
332   331  O     -3.595710    2.767463   16.340329     1   332   333
333   332  H     -3.925207    3.659587   16.231800     2   331
334   333  H     -4.262208    2.328057   16.868472     2   331
335   334  O     -7.876792   -5.359563    7.067330     1   335   336
336   335  H     -7.428504   -5.060649    7.858481     2   334
337   336  H     -7.226186   -5.891771    6.609402     2   334
338   337  O     13.894068  -15.977640   -1.024303     1   338   339
339   338  H     14.527849  -16.389865   -1.611351     2   337
340   339  H     14.421274  -15.642884   -0.298889     2   337
341   340  O    -16.551076   11.502872   -7.801682     1   341   342
342   341  H    -15.752085   11.282836   -7.322694     2   340
343   342  H    -17.221384   11.588586   -7.123764     2   340
344   343  O     10.982026    8.122524   17.787967     1   344   345
345   344  H     11.807733    8.246748   18.255952     2   343
346   345  H     11.058929    7.254545   17.391821     2   343
347   346  O     -2.323448   11.196090   -5.217729     1   347   348
348   347  H     -2.073840   10.272604   -5.184533     2   346
349   348  H     -2.817795   11.281919   -6.032890     2   346
350   349  O      0.681916  -12.448330   12.726076     1   350   351
351   350  H     -0.235071  -12.639026   12.528586     2   349
352   351  H      0.715701  -11.495634   12.812456     2   349
353   352  O     -3.158646  -10.543232   -2.304711     1   353   354
354   353  H     -2.422861  -10.327865   -2.877835     2   352
355   354  H     -2.924906  -10.159378   -1.459576     2   352
356   355  O     13.372193   12.228186   -5.818804     1   356   357
357   356  H     13.297764   11.888642   -6.710657     2   355
358   357  H     13.262150   13.174432   -5.912303     2   355
359   358  O      1.818134   -3.966258   13.310635     1   359   360
360   359  H      2.720015   -3.820050   13.025211     2   358
361   360  H      1.899819   -4.505053   14.097565     2   358
362   361  O    -16.193438  -16.275162  -14.792259     1   362   363
363   362  H    -15.843384  -15.415303  -14.559154     2   361
364   363  H    -16.966082  -16.083658  -15.323842     2   361
365   364  O    -16.717131   15.982927   15.679896     1   365   366
366   365  H    -16.103386   15.618936   15.041883     2   364
367   366  H    -17.057780   15.220256   16.147361     2   364
368   367  O    -13.228812   -0.452558   -5.401847     1   368   369
369   368  H    -12.947007    0.353885   -5.833666     2   367
370   369  H    -13.173421   -1.121937   -6.083826     2   367
371   370  O      7.518652   15.951635   -6.674707     1   371   372
372   371  H      7.545232   16.901723   -6.561312     2   370
373   372  H      7.973933   15.795874   -7.502167     2   370
374   373  O     -3.787450  -12.314260   10.088263     1   374   375
375   374  H     -4.537263  -11.977041    9.598062     2   373
376   375  H     -3.105191  -12.437756    9.428336     2   373
377   376  O    -10.157340   13.767387   11.794363     1   377   378
378   377  H    -10.147710   13.841365   10.840074     2   376
379   378  H     -9.262057   13.519266   12.024881     2   376
380   379  O     -2.004945    8.589226    3.574632     1   380   381
381   380  H     -1.531645    9.291336    3.128245     2   379
382   381  H     -2.164008    8.929122    4.455202     2   379
383   382  O      5.295328   -3.180405   -8.552202     1   383   384
384   383  H      4.596253   -2.639211   -8.919128     2   382
385   384  H      5.787345   -2.585581   -7.986219     2   382
386   385  O      0.090732  -15.345099    4.632488     1   386   387
387   386  H     -0.767461  -14.927583    4.706098     2   385
388   387  H      0.530971  -14.866551    3.930054     2   385
389   388  O     -0.649666   13.052920   -7.429863     1   389   390
390   389  H     -1.534763   13.169662   -7.775128     2   388
391   390  H     -0.203959   12.519114   -8.087609     2   388
392   391  O     13.183634   -1.727826   -6.350329     1   392   393
393   392  H     13.067994   -1.155103   -7.108516     2   391
394   393  H     13.640141   -1.185381   -5.707222     2   391
395   394  O      7.142867   -3.714690   -5.502032     1   395   396
396   395  H      6.218494   -3.479122   -5.422821     2   394
397   396  H      7.331511   -4.216292   -4.708910     2   394
398   397  O    -14.428056  -14.713247   -2.961556     1   398   399
399   398  H    -13.804634  -14.740809   -2.235734     2   397
400   399  H    -14.037403  -14.106626   -3.590549     2   397
401   400  O     -4.009864   10.781823   -7.462077     1   401   402
402   401  H     -3.896617    9.893613   -7.800442     2   400
403   402  H     -4.013509   11.337022   -8.241803     2   400
404   403  O     -9.325230   -8.386735  -16.150728     1   404   405
405   404  H     -8.412844   -8.596848  -16.349819     2   403
406   405  H     -9.709431   -9.220013  -15.878203     2   403
407   406  O    -13.896523   -3.915990    5.956297     1   407   408
408   407  H    -14.183496   -4.355323    5.155757     2   406
409   408  H    -13.923174   -2.983664    5.741145     2   406
410   409  O     -9.983183   -3.953993   14.763801     1   410   411
411   410  H     -9.496920   -4.219712   15.544297     2   409
412   411  H    -10.035866   -3.000334   14.826976     2   409
413   412  O    -11.265551   18.025538   -3.250221     1   413   414
414   413  H    -10.553143   18.407123   -3.763154     2   412
415   414  H    -10.951274   18.051640   -2.346461     2   412
416   415  O      0.888279   -0.380591  -16.503441     1   416   417
417   416  H      0.164164    0.231970  -16.632510     2   415
418   417  H      1.347660   -0.049914  -15.731525     2   415
419   418  O      4.070013  -14.004827    2.384024     1   419   420
420   419  H      3.506491  -14.672924    2.774307     2   418
421   420  H      4.960305  -14.304836    2.567348     2   418
422   421  O      8.877736    0.651948    6.540681     1   422   423
423   422  H      9.244282    1.025638    5.739287     2   421
424   423  H      9.357609   -0.166895    6.664986     2   421
425   424  O      1.640560   16.561740   15.000836     1   425   426
426   425  H      1.826277   16.349086   14.086222     2   424
427   426  H      0.743316   16.895077   14.992304     2   424
428   427  O      8.936071   18.184920   -9.379425     1   428   429
429   428  H      9.628993   17.693605   -9.820675     2   427
430   429  H      8.169221   17.614072   -9.427441     2   427
431   430  O      4.478936   -7.643547    0.775197     1   431   432
432   431  H      4.796627   -6.941456    0.207418     2   430
433   432  H      3.891879   -7.206307    1.391976     2   430
434   433  O     -8.003083   -7.168981    0.854879     1   434   435
435   434  H     -8.296733   -6.905432   -0.017213     2   433
436   435  H     -7.457866   -6.441536    1.154537     2   433
437   436  O    -12.999205   -7.058664  -14.753060     1   437   438
438   437  H    -13.064853   -7.131225  -13.800874     2   436
439   438  H    -12.078232   -6.854369  -14.915246     2   436
440   439  O     -0.623800    0.480031    4.840423     1   440   441
441   440  H     -0.504176    1.270531    4.314084     2   439
442   441  H     -1.274585   -0.031869    4.360142     2   439
443   442  O    -10.325284   11.184280  -16.126082     1   443   444
444   443  H    -10.585399   11.207174  -17.046977     2   442
445   444  H     -9.382236   11.347766  -16.138941     2   442
446   445  O     -2.116889   14.262781    9.098768     1   446   447
447   446  H     -1.782925   13.841510    8.306788     2   445
448   447  H     -1.635238   15.088201    9.152864     2   445
449   448  O      2.270128   -1.672596   -5.072068     1   449   450
450   449  H      1.331863   -1.574364   -4.910071     2   448
451   450  H      2.380278   -1.438992   -5.993767     2   448
452   451  O      2.295010   -6.635904  -15.863200     1   452   453
453   452  H      1.648450   -6.599386  -15.158318     2   451
454   453  H      1.801965   -6.413295  -16.652874     2   451
455   454  O     14.942554   17.384402   -2.011898     1   455   456
456   455  H     15.203955   18.215655   -2.408028     2   454
457   456  H     15.192474   17.467984   -1.091688     2   454
458   457  O    -12.017624   -1.817855    2.928662     1   458   459
459   458  H    -12.486785   -2.556965    2.541577     2   457
460   459  H    -11.692629   -2.151335    3.764964     2   457
461   460  O    -11.524937   -3.163121   -3.460473     1   461   462
462   461  H    -10.798781   -3.564671   -3.937638     2   460
463   462  H    -11.159118   -2.949501   -2.602117     2   460
464   463  O     -4.572877   -1.918163   12.094387     1   464   465
465   464  H     -3.879660   -1.515179   12.617155     2   463
466   465  H     -4.424116   -1.592509   11.206664     2   463
467   466  O     -6.809878   -7.091404    4.612758     1   467   468
468   467  H     -5.933703   -7.452389    4.747819     2   466
469   468  H     -6.656594   -6.197382    4.307043     2   466
470   469  O     -3.845983  -12.501293   -9.626654     1   470   471
471   470  H     -3.345330  -13.126232  -10.151087     2   469
472   471  H     -4.079265  -12.985352   -8.834505     2   469
473   472  O     -0.370495   -7.485029   -6.610505     1   473   474
474   473  H      0.209401   -7.832148   -7.288342     2   472
475   474  H      0.201807   -6.960304   -6.050713     2   472
476   475  O     -4.309086   -7.138668    0.533466     1   476   477
477   476  H     -3.589894   -7.749225    0.371552     2   475
478   477  H     -5.100867   -7.660392    0.402627     2   475
479   478  O    -10.436366  -16.147681  -14.666710     1   479   480
480   479  H    -10.589787  -15.203270  -14.694681     2   478
481   480  H    -10.013234  -16.346913  -15.501874     2   478
482   481  O     16.845418  -15.689156  -10.694366     1   482   483
483   482  H     17.242261  -15.333990   -9.899001     2   481
484   483  H     17.253699  -15.197029  -11.406651     2   481
485   484  O     -1.731066  -14.498824  -10.726313     1   485   486
486   485  H     -1.406374  -14.339603   -9.840053     2   484
487   486  H     -0.975727  -14.847737  -11.199552     2   484
488   487  O     -2.416890  -13.127757  -13.046836     1   488   489
489   488  H     -3.080052  -12.520722  -12.718269     2   487
490   489  H     -2.397089  -13.834062  -12.401100     2   487
491   490  O      7.518466  -16.404276   10.894917     1   491   492
492   491  H      7.124475  -17.163470   11.324601     2   490
493   492  H      7.595099  -15.748968   11.588409     2   490
494   493  O    -13.034089  -11.954147  -10.002843     1   494   495
495   494  H    -12.477128  -11.177242   -9.953402     2   493
496   495  H    -12.916690  -12.387779   -9.157613     2   493
497   496  O     15.062424   11.779197    8.424554     1   497   498
498   497  H     15.790781   11.231125    8.716696     2   496
499   498  H     15.459325   12.632449    8.249447     2   496
500   499  O     10.240594   16.766967   -4.157149     1   500   501
501   500  H      9.571910   16.094247   -4.028528     2   499
502   501  H     10.482866   16.691162   -5.080074     2   499
503   502  O      0.705187  -12.204017  -10.344827     1   503   504
504   503  H      0.840241  -12.847122  -11.040821     2   502
505   504  H      1.575036  -11.838418  -10.183799     2   502
506   505  O      4.730045   12.484279  -10.456143     1   506   507
507   506  H      4.087869   13.193839  -10.475282     2   505
508   507  H      5.467746   12.814346  -10.969062     2   505
509   508  O     -5.330392   13.938967   -2.673161     1   509   510
510   509  H     -4.596551   13.379590   -2.418589     2   508
511   510  H     -4.963886   14.823073   -2.689360     2   508
512   511  O      5.335550   -8.130580   -4.066626     1   512   513
513   512  H      5.515318   -7.754921   -4.928482     2   511
514   513  H      5.644848   -9.034250   -4.129460     2   511
515   514  O     -8.289267   16.078535   -9.952660     1   515   516
516   515  H     -8.607396   15.742599   -9.114702     2   514
517   516  H     -8.826946   16.852425  -10.120675     2   514
518   517  O    -14.115783  -14.324534  -17.837209     1   518   519
519   518  H    -13.810114  -15.131971  -17.423875     2   517
520   519  H    -13.710113  -13.624576  -17.325620     2   517
521   520  O      5.923443    9.374082    0.122927     1   521   522
522   521  H      5.298835    9.659584    0.789699     2   520
523   522  H      5.921824    8.418954    0.185864     2   520
524   523  O     -6.224558  -14.383112   -0.852240     1   524   525
525   524  H     -5.704514  -13.997059   -1.557045     2   523
526   525  H     -6.489924  -13.637568   -0.313746     2   523
527   526  O     -9.576472  -11.116788  -12.004524     1   527   528
528   527  H     -9.294447  -10.409812  -11.424111     2   526
529   528  H     -8.871218  -11.762213  -11.956825     2   526
530   529  O    -13.721261    4.415843   15.845403     1   530   531
531   530  H    -13.711536    3.459287   15.811678     2   529
532   531  H    -14.571918    4.660196   15.480839     2   529
533   532  O     16.513520   -4.798547   -9.994607     1   533   534
534   533  H     16.153658   -5.219977  -10.775074     2   532
535   534  H     17.274821   -4.313596  -10.313161     2   532
536   535  O     -1.955989    0.557679   18.048646     1   536   537
537   536  H     -2.129966    0.998686   17.217095     2   535
538   537  H     -2.586318    0.939693   18.659370     2   535
539   538  O      7.392455    7.935933    6.219431     1   539   540
540   539  H      8.039935    7.388764    6.663963     2   538
541   540  H      7.658911    8.833338    6.419176     2   538
542   541  O      9.362651  -13.737085   -1.470968     1   542   543
543   542  H      9.102468  -12.853302   -1.730709     2   541
544   543  H     10.243863  -13.842932   -1.829430     2   541
545   544  O      7.931999   -4.429968  -13.109775     1   545   546
546   545  H      7.162398   -4.308994  -12.553617     2   544
547   546  H      8.501454   -3.691008  -12.895549     2   544
548   547  O     -9.574733   -3.381340    1.616691     1   548   549
549   548  H    -10.071222   -3.955623    2.199726     2   547
550   549  H     -9.594320   -2.526870    2.047655     2   547
551   550  O      2.258875   -3.950445  -10.387620     1   551   552
552   551  H      2.455488   -4.059107  -11.318087     2   550
553   552  H      1.879382   -4.788435  -10.123065     2   550
554   553  O    -12.613398   10.690893   -9.092206     1   554   555
555   554  H    -12.044053   10.054246   -9.524362     2   553
556   555  H    -13.488029   10.499266   -9.430632     2   553
557   556  O     -8.581763    0.813071   -2.470316     1   557   558
558   557  H     -7.858574    0.675387   -3.082095     2   556
559   558  H     -9.351934    0.478800   -2.930024     2   556
560   559  O     14.945685  -11.441322    7.651632     1   560   561
561   560  H     14.549355  -12.248423    7.323389     2   559
562   561  H     15.102241  -10.914780    6.867747     2   559
563   562  O     12.402546   14.423280    4.917499     1   563   564
564   563  H     12.686892   13.558073    5.212112     2   562
565   564  H     13.108863   14.726704    4.347162     2   562
566   565  O     -1.687319   -5.827435    1.588326     1   566   567
567   566  H     -1.043654   -6.455557    1.916031     2   565
568   567  H     -2.486423   -6.341348    1.471878     2   565
569   568  O     -2.041221  -11.859938  -16.097579     1   569   570
570   569  H     -2.366696  -12.017519  -15.211313     2   568
571   570  H     -1.606369  -11.008792  -16.045740     2   568
572   571  O      4.876277    7.872638    7.196980     1   572   573
573   572  H      5.581399    7.687114    6.576806     2   571
574   573  H      4.404835    8.610660    6.810588     2   571
575   574  O     -1.600940   17.286232   -5.004365     1   575   576
576   575  H     -1.920236   17.514475   -4.131331     2   574
577   576  H     -2.349200   16.870105   -5.432359     2   574
578   577  O     -9.068781  -15.501031   -6.778002     1   578   579
579   578  H     -9.175377  -16.375107   -6.402687     2   577
580   579  H     -8.543154  -15.025960   -6.134374     2   577
581   580  O      7.444118   11.496371   -0.472889     1   581   582
582   581  H      6.905665   10.771592   -0.155090     2   580
583   582  H      7.182044   12.243734    0.064696     2   580
584   583  O      0.610716   -8.675239   -0.120472     1   584   585
585   584  H      1.166446   -8.018873   -0.540686     2   583
586   585  H      0.259037   -8.232856    0.652090     2   583
587   586  O     -7.873961   17.875961   16.965099     1   587   588
588   587  H     -7.355797   17.106008   16.730767     2   586
589   588  H     -7.719309   18.495431   16.251956     2   586
590   589  O     -3.933921   -0.945846    9.412116     1   590   591
591   590  H     -3.771177   -0.531705    8.564629     2   589
592   591  H     -4.831097   -1.273762    9.350642     2   589
593   592  O    -15.061301    8.418703   -3.103158     1   593   594
594   593  H    -14.793665    9.288264   -3.400592     2   592
595   594  H    -15.670944    8.587862   -2.384859     2   592
596   595  O     -0.800768   -6.572979   -9.425413     1   596   597
597   596  H      0.129762   -6.385949   -9.549371     2   595
598   597  H     -0.824470   -7.210061   -8.711411     2   595
599   598  O     -8.139449    9.465815    7.218030     1   599   600
600   599  H     -8.435855    8.919821    7.946225     2   598
601   600  H     -7.296367    9.814724    7.507351     2   598
602   601  O    -15.416807    9.910729  -16.024387     1   602   603
603   602  H    -15.244430    9.014166  -15.736826     2   601
604   603  H    -14.553681   10.323512  -16.053641     2   601
605   604  O    -12.826441   -8.957463   -7.683159     1   605   606
606   605  H    -13.554019   -8.798557   -8.284502     2   604
607   606  H    -12.585619   -9.871500   -7.834067     2   604
608   607  O      8.193364  -12.694988   11.400654     1   608   609
609   608  H      9.069689  -12.494462   11.729406     2   607
610   609  H      8.275680  -12.639469   10.448618     2   607
611   610  O     14.841233   -0.983693  -13.159717     1   611   612
612   611  H     14.908029   -1.446598  -13.994875     2   610
613   612  H     15.702149   -1.092233  -12.755644     2   610
614   613  O     -2.160071   15.334185   -2.879353     1   614   615
615   614  H     -2.623656   15.481991   -3.703656     2   613
616   615  H     -2.847272   15.340516   -2.213060     2   613
617   616  O      5.543817   -0.323378   -7.416420     1   617   618
618   617  H      5.904916   -0.366796   -8.301832     2   616
619   618  H      5.886171    0.495280   -7.057498     2   616
620   619  O     -1.210063   -2.062957   17.336434     1   620   621
621   620  H     -1.303409   -1.113782   17.417580     2   619
622   621  H     -0.684071   -2.318042   18.094390     2   619
623   622  O    -13.995332    0.462068    2.011385     1   623   624
624   623  H    -14.736240    0.894490    1.586769     2   622
625   624  H    -14.237280   -0.463828    2.031636     2   622
626   625  O     10.409618   -7.129021    8.252560     1   626   627
627   626  H     11.178870   -7.606782    8.562767     2   625
628   627  H      9.760454   -7.809403    8.073958     2   625
629   628  O     10.989367  -16.808302   17.329644     1   629   630
630   629  H     11.620509  -16.116416   17.131689     2   628
631   630  H     11.087647  -16.961079   18.269448     2   628
632   631  O      4.319434   13.056793   -6.319568     1   632   633
633   632  H      5.172026   13.249082   -6.709881     2   631
634   633  H      3.692904   13.531599   -6.865692     2   631
635   634  O     -6.952089   -3.232556   13.531294     1   635   636
636   635  H     -6.178995   -2.905999   13.070946     2   634
637   636  H     -7.262551   -2.483635   14.040178     2   634
638   637  O     17.452675   -0.656010    0.767378     1   638   639
639   638  H     17.468137   -0.179077    1.597154     2   637
640   639  H     17.614229   -1.567385    1.011363     2   637
641   640  O      3.623912  -11.689162   -1.210840     1   641   642
642   641  H      3.652361  -10.992677   -0.554843     2   640
643   642  H      2.713349  -11.704163   -1.505600     2   640
644   643  O     10.790577   12.597092    1.634562     1   644   645
645   644  H     11.027581   12.738610    0.718028     2   643
646   645  H     10.333486   13.398154    1.890687     2   643
647   646  O     10.434939   -4.070465  -15.308412     1   647   648
648   647  H      9.591198   -4.467875  -15.093008     2   646
649   648  H     11.023392   -4.365009  -14.613286     2   646
650   649  O     15.677760  -14.120714    4.978978     1   650   651
651   650  H     14.837930  -14.192333    5.432617     2   649
652   651  H     15.622983  -13.292680    4.501912     2   649
653   652  O    -10.351447  -13.417725   -9.240924     1   653   654
654   653  H     -9.683355  -13.252114   -9.906100     2   652
655   654  H    -10.074285  -12.896508   -8.487434     2   652
656   655  O     11.566475  -13.113645    5.061111     1   656   657
657   656  H     11.472616  -13.040812    4.111312     2   655
658   657  H     11.427909  -12.223597    5.384912     2   655
659   658  O     -3.990805  -17.143048    6.601407     1   659   660
660   659  H     -3.416114  -17.900302    6.713344     2   658
661   660  H     -4.875553  -17.498997    6.683582     2   658
662   661  O     -6.108963   11.368904   -5.478033     1   662   663
663   662  H     -5.337033   11.501906   -6.028185     2   661
664   663  H     -6.794958   11.098513   -6.088387     2   661
665   664  O    -15.082379   15.286719   -5.123471     1   665   666
666   665  H    -14.307509   15.388957   -4.570880     2   664
667   666  H    -15.659674   16.004223   -4.862414     2   664
668   667  O    -14.864171   -7.975735    2.845173     1   668   669
669   668  H    -14.190187   -7.970985    2.165500     2   667
670   669  H    -14.577020   -8.647909    3.463201     2   667
671   670  O     16.409306    9.250762   11.717180     1   671   672
672   671  H     17.330855    9.481133   11.835116     2   670
673   672  H     16.284334    9.239332   10.768242     2   670
674   673  O      1.019464  -17.474816   12.446770     1   674   675
675   674  H      0.484546  -17.977837   13.060826     2   673
676   675  H      0.702223  -16.575818   12.532758     2   673
677   676  O     -3.993295  -12.316725    1.883973     1   677   678
678   677  H     -3.453756  -13.003289    1.491851     2   676
679   678  H     -4.269291  -12.679705    2.725581     2   676
680   679  O    -10.702979   -2.794757  -15.732107     1   680   681
681   680  H    -10.215197   -3.067809  -14.955097     2   679
682   681  H    -11.610262   -2.727485  -15.434543     2   679
683   682  O    -14.986802   10.503120  -10.168606     1   683   684
684   683  H    -15.500092    9.761241  -10.488577     2   682
685   684  H    -15.414565   10.755850   -9.350450     2   682
686   685  O    -11.485194   -6.772662   -4.094672     1   686   687
687   686  H    -11.322065   -6.233593   -3.320704     2   685
688   687  H    -10.709721   -7.329068   -4.167383     2   685
689   688  O     17.098228   -1.947510  -11.879541     1   689   690
690   689  H     17.823234   -1.716991  -12.460454     2   688
691   690  H     17.517115   -2.365511  -11.127184     2   688
692   691  O     17.211314   15.645274   -5.120992     1   692   693
693   692  H     17.661059   16.227443   -4.508585     2   691
694   693  H     17.849065   15.491170   -5.817955     2   691
695   694  O     -1.179074   11.902037  -12.880640     1   695   696
696   695  H     -1.947545   12.022351  -12.322778     2   694
697   696  H     -1.519551   11.957945  -13.773491     2   694
698   697  O     16.483891   17.792990  -12.724956     1   698   699
699   698  H     16.491978   17.631998  -11.781426     2   697
700   699  H     16.986150   18.600372  -12.834963     2   697
701   700  O     -6.751724  -13.009825    9.286589     1   701   702
702   701  H     -6.275779  -12.755613    8.495966     2   700
703   702  H     -7.029909  -13.910450    9.120094     2   700
704   703  O    -16.957835   17.407132   -3.862648     1   704   705
705   704  H    -16.260947   16.975636   -3.368290     2   703
706   705  H    -17.378648   17.987042   -3.227940     2   703
707   706  O     -5.077475   -8.946277   -3.297641     1   707   708
708   707  H     -4.271967   -9.449124   -3.177084     2   706
709   708  H     -5.723641   -9.393511   -2.751120     2   706
710   709  O     -1.467893   -8.637750    9.607347     1   710   711
711   710  H     -1.867882   -7.771462    9.531276     2   709
712   711  H     -0.795755   -8.652410    8.925990     2   709
713   712  O     -4.561710    3.549277   12.434503     1   713   714
714   713  H     -3.819440    3.751556   13.004021     2   712
715   714  H     -4.524415    2.599705   12.319812     2   712
716   715  O     14.876203   -8.875135   16.414377     1   716   717
717   716  H     14.532189   -9.694536   16.770000     2   715
718   717  H     14.676282   -8.916721   15.479212     2   715
719   718  O    -10.954551   -4.690315    3.702794     1   719   720
720   719  H    -11.195417   -4.508860    4.611249     2   718
721   720  H    -10.962877   -5.645315    3.638475     2   718
722   721  O     -4.640747    7.529067    0.297791     1   722   723
723   722  H     -4.912436    7.346503    1.197285     2   721
724   723  H     -3.684266    7.505655    0.326558     2   721
725   724  O      8.974982   13.063344  -10.427147     1   725   726
726   725  H      9.011030   12.394527   -9.743322     2   724
727   726  H      9.381182   12.649858  -11.188897     2   724
728   727  O     -6.221910   -1.738060    4.502764     1   728   729
729   728  H     -6.757570   -1.470795    3.755857     2   727
730   729  H     -5.978466   -0.916640    4.929656     2   727
731   730  O    -10.010362    9.041830   -3.621778     1   731   732
732   731  H     -9.320834    8.492155   -3.249433     2   730
733   732  H    -10.823933    8.587603   -3.402659     2   730
734   733  O     -3.559192  -16.462887  -12.338828     1   734   735
735   734  H     -2.775350  -16.255794  -11.829969     2   733
736   735  H     -3.228038  -16.691447  -13.207349     2   733
737   736  O    -14.428882   -2.008674   11.729906     1   737   738
738   737  H    -13.474037   -1.941729   11.725225     2   736
739   738  H    -14.733054   -1.101118   11.737212     2   736
740   739  O    -16.678608   -0.258926  -12.274209     1   740   741
741   740  H    -17.281695    0.335980  -11.828557     2   739
742   741  H    -15.870752   -0.208876  -11.763233     2   739
743   742  O     18.147823    5.196689   12.115719     1   743   744
744   743  H     18.599674    4.353916   12.073324     2   742
745   744  H     17.227020    4.983162   11.964854     2   742
746   745  O     15.242831  -17.552787   -7.050297     1   746   747
747   746  H     15.016861  -18.135761   -6.325514     2   745
748   747  H     15.876326  -18.048882   -7.568763     2   745
749   748  O     -2.163740  -13.817329   -6.464169     1   749   750
750   749  H     -2.826507  -13.136170   -6.350178     2   748
751   750  H     -2.652113  -14.638796   -6.410155     2   748
752   751  O     -9.347239    8.539028    4.194417     1   752   753
753   752  H     -9.438603    7.804595    3.587381     2   751
754   753  H     -8.632062    9.062130    3.832313     2   751
755   754  O     -9.728753  -18.075884  -10.823565     1   755   756
756   755  H    -10.217342  -17.259493  -10.718593     2   754
757   756  H    -10.039706  -18.436597  -11.653883     2   754
758   757  O    -12.906298   13.329126   -5.801261     1   758   759
759   758  H    -13.710348   13.610111   -5.364472     2   757
760   759  H    -12.346351   13.012224   -5.092555     2   757
761   760  O     -3.600028   -6.773335  -17.722670     1   761   762
762   761  H     -3.515624   -6.601569  -18.660543     2   760
763   762  H     -2.792292   -6.428631  -17.341916     2   760
764   763  O    -11.517441   -5.739923   13.883735     1   764   765
765   764  H    -11.813361   -5.565714   12.990250     2   763
766   765  H    -10.938122   -5.006919   14.091885     2   763
767   766  O     -3.159702  -12.613522    6.228672     1   767   768
768   767  H     -2.521706  -11.912375    6.096060     2   766
769   768  H     -3.889289  -12.191471    6.682333     2   766
770   769  O      2.081846    8.239296  -16.873714     1   770   771
771   770  H      2.822396    8.449323  -16.304762     2   769
772   771  H      2.394868    7.516995  -17.418260     2   769
773   772  O     -8.087390   -0.538679    7.624149     1   773   774
774   773  H     -8.276605   -1.295854    7.069967     2   772
775   774  H     -8.945605   -0.159391    7.813463     2   772
776   775  O      6.714302   -7.031076   -6.558528     1   776   777
777   776  H      7.003885   -7.564321   -7.298814     2   775
778   777  H      7.293864   -6.269365   -6.570189     2   775
779   778  O    -16.993168   -2.704653   14.393287     1   779   780
780   779  H    -17.753377   -2.380129   14.875987     2   778
781   780  H    -17.262051   -2.676586   13.475056     2   778
782   781  O    -15.494463   15.059811   -9.782928     1   782   783
783   782  H    -16.249819   14.501202   -9.599552     2   781
784   783  H    -14.741800   14.553708   -9.477003     2   781
785   784  O      4.080791   -6.691261    3.608977     1   785   786
786   785  H      4.314020   -6.976499    4.492423     2   784
787   786  H      4.734706   -6.027185    3.390733     2   784
788   787  O      6.971481   17.836862   12.384734     1   788   789
789   788  H      7.776152   17.848790   12.902996     2   787
790   789  H      6.801031   16.908174   12.227513     2   787
791   790  O    -12.803462    8.952010    3.309741     1   791   792
792   791  H    -13.161072    9.358715    2.520476     2   790
793   792  H    -12.685188    9.678565    3.921592     2   790
794   793  O    -11.970629  -14.474754    9.471287     1   794   795
795   794  H    -11.965028  -15.409078    9.679225     2   793
796   795  H    -11.412299  -14.397729    8.697616     2   793
797   796  O     10.388998   -1.527438   -8.498742     1   797   798
798   797  H      9.519409   -1.568226   -8.100768     2   796
799   798  H     10.291027   -0.914233   -9.227175     2   796
800   799  O    -14.336347  -17.303053  -16.774169     1   800   801
801   800  H    -14.831322  -17.132152  -15.972904     2   799
802   801  H    -14.983746  -17.653291  -17.386084     2   799
803   802  O    -16.755059  -14.357195   17.815747     1   803   804
804   803  H    -15.860768  -14.279785   18.148138     2   802
805   804  H    -17.028003  -13.455034   17.648894     2   802
806   805  O     -0.642102  -17.182189   -8.388319     1   806   807
807   806  H     -0.474638  -17.081145   -9.325324     2   805
808   807  H     -0.602016  -16.291535   -8.039951     2   805
809   808  O     -7.791071  -16.360874  -12.943084     1   809   810
810   809  H     -7.801689  -16.261182  -11.991149     2   808
811   810  H     -8.701774  -16.231889  -13.208065     2   808
812   811  O    -11.221658   15.845475   -6.505440     1   812   813
813   812  H    -11.893467   16.290308   -7.022188     2   811
814   813  H    -11.709128   15.233626   -5.953855     2   811
815   814  O    -17.722368  -10.627072    7.621597     1   815   816
816   815  H    -18.211665  -11.107540    8.289408     2   814
817   816  H    -16.893283  -11.099333    7.545300     2   814
818   817  O    -15.886206   17.547104    6.886732     1   818   819
819   818  H    -16.216755   18.080735    6.164093     2   817
820   819  H    -16.307819   17.910203    7.665600     2   817
821   820  O    -12.832294    0.748630   11.843401     1   821   822
822   821  H    -13.031159    0.694558   10.908649     2   820
823   822  H    -12.236510    0.017022   12.004721     2   820
824   823  O    -16.407559    3.073920   -8.843950     1   824   825
825   824  H    -16.185708    2.448721   -8.153920     2   823
826   825  H    -16.872175    2.553306   -9.499179     2   823
827   826  O     15.605942   -0.210939    4.809354     1   827   828
828   827  H     16.064789    0.308395    4.149063     2   826
829   828  H     15.795605   -1.119316    4.574594     2   826
830   829  O    -10.687055   12.066338   -6.971686     1   830   831
831   830  H    -11.372733   12.728287   -6.882800     2   829
832   831  H    -11.116308   11.243298   -6.738065     2   829
833   832  O     -2.522863   -1.849153   -8.786347     1   833   834
834   833  H     -2.752382   -1.595222   -9.680256     2   832
835   834  H     -2.575182   -2.804922   -8.787439     2   832
836   835  O      1.914194  -11.484601    2.473319     1   836   837
837   836  H      2.211309  -10.925162    1.755696     2   835
838   837  H      2.705934  -11.931390    2.772921     2   835
839   838  O     -8.695955    6.468743   14.189833     1   839   840
840   839  H     -8.516787    5.536036   14.070710     2   838
841   840  H     -8.973849    6.545070   15.102621     2   838
842   841  O     -8.729721   -4.611437  -10.066392     1   842   843
843   842  H     -9.366034   -4.193279   -9.486321     2   841
844   843  H     -8.735835   -4.072633  -10.857521     2   841
845   844  O     -8.185501   -6.519112   -2.170064     1   845   846
846   845  H     -7.291420   -6.223537   -2.341784     2   844
847   846  H     -8.737545   -5.914602   -2.666095     2   844
848   847  O     -7.120031  -16.634081    3.406245     1   848   849
849   848  H     -6.801012  -16.032464    4.078938     2   847
850   849  H     -7.036794  -17.501916    3.801425     2   847
851   850  O     -5.869906    0.477491    5.945019     1   851   852
852   851  H     -6.740446    0.545338    6.337180     2   850
853   852  H     -5.353673    1.150393    6.388798     2   850
854   853  O     16.776305    8.416130  -13.693021     1   854   855
855   854  H     16.954432    7.965124  -14.518307     2   853
856   855  H     17.619870    8.788419  -13.436053     2   853
857   856  O    -11.065363  -10.261932    9.589130     1   857   858
858   857  H    -11.157220   -9.430527   10.054490     2   856
859   858  H    -10.954366  -10.012456    8.671702     2   856
860   859  O    -16.733769   -5.110856  -16.289741     1   860   861
861   860  H    -17.244328   -4.739270  -17.009106     2   859
862   861  H    -15.836171   -4.825220  -16.459923     2   859
863   862  O     12.235143  -14.422112   15.692071     1   863   864
864   863  H     11.355045  -14.626791   15.376213     2   862
865   864  H     12.276560  -13.465840   15.684268     2   862
866   865  O    -10.323045   -0.405281  -13.157929     1   866   867
867   866  H     -9.446635   -0.281508  -13.522371     2   865
868   867  H    -10.907357   -0.350322  -13.914097     2   865
869   868  O     -8.208320   12.883929  -17.673655     1   869   870
870   869  H     -7.969731   12.881804  -16.746669     2   868
871   870  H     -8.634835   13.729977  -17.809747     2   868
872   871  O    -12.027857  -14.871980   -1.262844     1   872   873
873   872  H    -11.531751  -14.874324   -2.081444     2   871
874   873  H    -11.655499  -15.592512   -0.754498     2   871
875   874  O    -14.982154   -7.564449    6.403748     1   875   876
876   875  H    -14.277988   -7.998852    5.922421     2   874
877   876  H    -15.666563   -7.420861    5.750143     2   874
878   877  O      6.286453    0.843178    7.894661     1   878   879
879   878  H      5.998351    0.260047    7.192387     2   877
880   879  H      7.238929    0.749277    7.908987     2   877
881   880  O     15.034814   -6.877629   12.073266     1   881   882
882   881  H     14.131898   -7.145670   11.902591     2   880
883   882  H     15.173137   -6.122507   11.501523     2   880
884   883  O      9.734042  -14.757770   14.624680     1   884   885
885   884  H      9.004441  -14.484059   14.068804     2   883
886   885  H      9.437924  -15.575865   15.023764     2   883
887   886  O      7.910969    7.914916   -3.601497     1   887   888
888   887  H      7.115923    8.377684   -3.336956     2   886
889   888  H      8.091484    7.314965   -2.877822     2   886
890   889  O     -6.194426    0.520395   -4.257440     1   890   891
891   890  H     -5.245727    0.647059   -4.244858     2   889
892   891  H     -6.368215    0.091716   -5.095452     2   889
893   892  O      6.949713   -0.715116   -1.135447     1   893   894
894   893  H      6.141791   -1.200655   -0.968876     2   892
895   894  H      7.637125   -1.381077   -1.121576     2   892
896   895  O     17.729125   17.454110   -8.186406     1   896   897
897   896  H     18.502290   18.015262   -8.246050     2   895
898   897  H     18.033352   16.675064   -7.720824     2   895
899   898  O    -16.821099   13.584622   16.694562     1   899   900
900   899  H    -16.569779   12.666251   16.596250     2   898
901   900  H    -17.204347   13.636141   17.570176     2   898
902   901  O    -16.138643   -6.507127   10.797660     1   902   903
903   902  H    -16.475250   -7.035095   10.073658     2   901
904   903  H    -16.901960   -6.028340   11.120681     2   901
905   904  O     -3.447724  -16.561741   -5.830114     1   905   906
906   905  H     -4.327628  -16.774688   -6.141007     2   904
907   906  H     -3.362729  -17.039110   -5.004810     2   904
908   907  O      6.233390   -5.709556   10.452991     1   908   909
909   908  H      5.764399   -6.492005   10.742912     2   907
910   909  H      5.840996   -5.494288    9.606871     2   907
911   910  O    -14.802167   -5.830102   16.667483     1   911   912
912   911  H    -15.738307   -5.995196   16.779814     2   910
913   912  H    -14.729722   -5.443098   15.795009     2   910
914   913  O     -0.515717   -6.601495   14.712946     1   914   915
915   914  H     -0.532702   -6.270076   15.610780     2   913
916   915  H     -1.362218   -7.034019   14.600736     2   913
917   916  O    -14.869541  -16.899875  -12.327967     1   917   918
918   917  H    -15.279034  -16.798397  -13.187182     2   916
919   918  H    -14.344715  -16.107095  -12.217107     2   916
920   919  O     -5.628240   -4.584754   17.143083     1   920   921
921   920  H     -6.401726   -4.889974   16.668960     2   919
922   921  H     -5.225890   -3.942879   16.557981     2   919
923   922  O     -0.482904   14.710862   18.192652     1   923   924
924   923  H     -0.547857   14.397550   17.290516     2   922
925   924  H     -0.754838   15.627560   18.148497     2   922
926   925  O    -13.149748   11.601227    4.167823     1   926   927
927   926  H    -13.757841   11.969597    3.526919     2   925
928   927  H    -13.339242   12.074421    4.978016     2   925
929   928  O    -15.244682   -5.085995   -9.933601     1   929   930
930   929  H    -14.356388   -4.736223   -9.864145     2   928
931   930  H    -15.288427   -5.765290   -9.260640     2   928
932   931  O     15.746919  -16.832079   14.529234     1   932   933
933   932  H     16.446141  -17.210712   13.996357     2   931
934   933  H     16.135559  -16.045063   14.911069     2   931
935   934  O      0.488677   11.667405    5.131821     1   935   936
936   935  H      0.971266   12.350967    4.666971     2   934
937   936  H      0.171957   11.085264    4.441146     2   934
938   937  O    -11.942580  -12.183097   11.328287     1   938   939
939   938  H    -11.626301  -12.891962   10.768188     2   937
940   939  H    -11.931564  -11.409160   10.765141     2   937
941   940  O     16.357193   -2.793768    3.387912     1   941   942
942   941  H     16.366061   -3.535772    3.992547     2   940
943   942  H     15.658711   -2.998961    2.766421     2   940
944   943  O    -16.959831    8.422189    4.781162     1   944   945
945   944  H    -17.723409    7.871029    4.952635     2   943
946   945  H    -16.615854    8.102886    3.946921     2   943
947   946  O     -7.990956  -13.175843  -11.063367     1   947   948
948   947  H     -7.168149  -12.731687  -10.858560     2   946
949   948  H     -7.863082  -14.072592  -10.753976     2   946
950   949  O     -0.196294    1.010658   13.688728     1   950   951
951   950  H      0.667704    0.691275   13.948987     2   949
952   951  H     -0.147547    1.085150   12.735676     2   949
953   952  O      5.376911   -4.129299  -11.903757     1   953   954
954   953  H      4.459918   -4.382703  -11.798195     2   952
955   954  H      5.358537   -3.427226  -12.554132     2   952
956   955  O    -13.425024   16.929241    7.895850     1   956   957
957   956  H    -13.525043   17.462685    8.684308     2   955
958   957  H    -14.295370   16.924251    7.497472     2   955
959   958  O    -17.512571   14.368402  -16.954273     1   959   960
960   959  H    -16.804485   14.341369  -16.310754     2   958
961   960  H    -18.276977   14.660782  -16.457856     2   958
962   961  O     10.979137    4.163050   -8.236122     1   962   963
963   962  H     10.321795    4.361984   -7.569369     2   961
964   963  H     10.542378    3.551227   -8.828698     2   961
965   964  O    -11.400770  -10.188350   14.990329     1   965   966
966   965  H    -11.154154  -11.080528   14.746542     2   964
967   966  H    -10.685021   -9.643577   14.662979     2   964
968   967  O    -12.638703    7.746483   -7.369625     1   968   969
969   968  H    -11.892068    7.478157   -6.834115     2   967
970   969  H    -12.387010    8.600246   -7.721720     2   967
971   970  O     -1.450015   -2.753247  -14.558991     1   971   972
972   971  H     -0.872601   -2.312361  -13.935738     2   970
973   972  H     -2.251858   -2.230504  -14.554482     2   970
974   973  O     10.546109   -0.116959  -17.167927     1   974   975
975   974  H     11.363269   -0.577326  -16.976761     2   973
976   975  H     10.430997   -0.214796  -18.113131     2   973
977   976  O     -4.074505   -5.987520  -11.415050     1   977   978
978   977  H     -4.963014   -6.124518  -11.086393     2   976
979   978  H     -4.021752   -6.533971  -12.199168     2   976
980   979  O     15.551279   10.905721  -14.798984     1   980   981
981   980  H     14.596630   10.974474  -14.811268     2   979
982   981  H     15.724406   10.030357  -14.452577     2   979
983   982  O    -10.117423   -5.588488   10.478813     1   983   984
984   983  H    -10.712537   -4.936007   10.109569     2   982
985   984  H    -10.669502   -6.354093   10.637846     2   982
986   985  O     -5.784868   15.271085   -7.190596     1   986   987
987   986  H     -5.758781   15.123890   -8.136051     2   985
988   987  H     -6.717141   15.272512   -6.973575     2   985
989   988  O    -13.489182   12.567264   -2.766606     1   989   990
990   989  H    -12.846781   11.965156   -3.142133     2   988
991   990  H    -12.966339   13.289688   -2.418797     2   988
992   991  O    -15.216766   12.833572    2.022799     1   992   993
993   992  H    -15.887095   12.490307    2.613612     2   991
994   993  H    -15.702125   13.366266    1.392802     2   991
995   994  O    -15.981861   -1.907051   -1.831670     1   995   996
996   995  H    -15.689694   -2.379559   -2.611161     2   994
997   996  H    -15.458473   -1.105632   -1.826596     2   994
998   997  O     17.417997   11.221669   -2.967278     1   998   999
999   998  H     18.329334   11.498771   -3.061682     2   997
1000   999  H     16.937368   11.758797   -3.597137     2   997
1001  1000  O      0.685873   -6.060437   -4.800242     1  1001  1002
1002  1001  H      0.684658   -5.105013   -4.858530     2  1000
1003  1002  H      1.539642   -6.276921   -4.425482     2  1000
1004  1003  O      4.009081   10.778986   -4.515149     1  1004  1005
1005  1004  H      3.923876   11.689663   -4.797356     2  1003
1006  1005  H      4.151452   10.289080   -5.325060     2  1003
1007  1006  O    -13.524782   -3.513939    1.379898     1  1007  1008
1008  1007  H    -13.093130   -3.700642    0.546201     2  1006
1009  1008  H    -14.383756   -3.170658    1.133820     2  1006
1010  1009  O      7.598978   16.195737    9.315468     1  1010  1011
1011  1010  H      7.221727   15.632647    9.991370     2  1009
1012  1011  H      8.413046   16.520332    9.700390     2  1009
1013  1012  O      1.681565   -2.916726   -1.374598     1  1013  1014
1014  1013  H      1.040230   -2.404909   -1.867513     2  1012
1015  1014  H      1.258694   -3.084318   -0.532383     2  1012
1016  1015  O     16.087496  -11.920414   -5.207088     1  1016  1017
1017  1016  H     16.294528  -10.986011   -5.223282     2  1015
1018  1017  H     16.432139  -12.256952   -6.034250     2  1015
1019  1018  O    -14.281348   13.645254   11.151114     1  1019  1020
1020  1019  H    -14.986605   14.290032   11.206856     2  1018
1021  1020  H    -13.712793   13.846614   11.894372     2  1018
1022  1021  O     12.554571    5.120916    4.818199     1  1022  1023
1023  1022  H     12.445500    4.972953    3.878814     2  1021
1024  1023  H     11.926196    5.812189    5.026814     2  1021
1025  1024  O     14.810286  -11.956902    3.669677     1  1025  1026
1026  1025  H     14.137780  -11.312601    3.890682     2  1024
1027  1026  H     15.070730  -11.734952    2.775730     2  1024
1028  1027  O     -2.545774    8.309567  -18.054376     1  1028  1029
1029  1028  H     -2.245923    9.195003  -18.260108     2  1027
1030  1029  H     -1.908802    7.981953  -17.419421     2  1027
1031  1030  O      4.944011    5.241289    4.582792     1  1031  1032
1032  1031  H      5.889337    5.370506    4.506012     2  1030
1033  1032  H      4.639126    5.157208    3.679350     2  1030
1034  1033  O      4.472991    2.768949   12.567887     1  1034  1035
1035  1034  H      5.008719    3.052554   13.308695     2  1033
1036  1035  H      4.589635    1.819386   12.536968     2  1033
1037  1036  O    -12.064357   -7.733587   10.434366     1  1037  1038
1038  1037  H    -12.537566   -7.205095   11.077018     2  1036
1039  1038  H    -12.509293   -7.558339    9.605178     2  1036
1040  1039  O     -4.510203   13.261638    9.129983     1  1040  1041
1041  1040  H     -3.618506   13.601255    9.054031     2  1039
1042  1041  H     -4.445153   12.350484    8.843978     2  1039
1043  1042  O    -10.031010   16.581830    2.649015     1  1043  1044
1044  1043  H    -10.388240   15.694820    2.606199     2  1042
1045  1044  H     -9.099791   16.456943    2.831950     2  1042
1046  1045  O     -5.851918   -4.076188  -14.084354     1  1046  1047
1047  1046  H     -6.732691   -4.340304  -13.818432     2  1045
1048  1047  H     -5.772992   -4.380069  -14.988600     2  1045
1049  1048  O      2.737015  -12.998089    6.714714     1  1049  1050
1050  1049  H      3.018709  -13.674899    6.099240     2  1048
1051  1050  H      3.551531  -12.646657    7.074286     2  1048
1052  1051  O     -0.265134  -16.299860   -5.417019     1  1052  1053
1053  1052  H     -0.640104  -17.166157   -5.258404     2  1051
1054  1053  H     -1.017084  -15.749111   -5.634918     2  1051
1055  1054  O      7.664862    7.291259  -11.939677     1  1055  1056
1056  1055  H      6.997579    6.696564  -11.597179     2  1054
1057  1056  H      8.414199    7.172905  -11.355966     2  1054
1058  1057  O    -17.863737    9.499835   -4.870570     1  1058  1059
1059  1058  H    -18.239875   10.153870   -4.281511     2  1057
1060  1059  H    -18.483501    9.447485   -5.598159     2  1057
1061  1060  O     -8.983854   16.253394   -3.921006     1  1061  1062
1062  1061  H     -9.751440   16.042432   -3.389462     2  1060
1063  1062  H     -8.678175   15.407153   -4.247610     2  1060
1064  1063  O     -2.731845   12.057912   16.827925     1  1064  1065
1065  1064  H     -1.850786   11.876434   16.500765     2  1063
1066  1065  H     -3.169187   12.505838   16.103821     2  1063
1067  1066  O    -11.069823  -15.579379  -10.514075     1  1067  1068
1068  1067  H    -10.834579  -14.926833   -9.854472     2  1066
1069  1068  H    -11.748476  -16.109353  -10.095995     2  1066
1070  1069  O    -11.761226    2.181088    6.189775     1  1070  1071
1071  1070  H    -11.479289    2.963534    5.715938     2  1069
1072  1071  H    -11.307000    2.233100    7.030730     2  1069
1073  1072  O     16.642001    0.003596   17.912544     1  1073  1074
1074  1073  H     15.764850    0.231637   17.604588     2  1072
1075  1074  H     17.205771    0.694243   17.564115     2  1072
1076  1075  O      1.550374   -9.113699  -16.274617     1  1076  1077
1077  1076  H      1.875900   -9.727698  -15.616384     2  1075
1078  1077  H      2.042637   -8.308294  -16.115770     2  1075
1079  1078  O     -6.953024   14.011338   10.475455     1  1079  1080
1080  1079  H     -6.182728   13.685260   10.010107     2  1078
1081  1080  H     -7.135512   13.342643   11.135589     2  1078
1082  1081  O     -1.288983    7.574740    9.478116     1  1082  1083
1083  1082  H     -0.781785    7.045347   10.093523     2  1081
1084  1083  H     -2.136549    7.694599    9.906484     2  1081
1085  1084  O     -2.106899    1.756327   -9.643412     1  1085  1086
1086  1085  H     -1.450331    1.421812   -9.032470     2  1084
1087  1086  H     -2.422141    2.564234   -9.238268     2  1084
1088  1087  O     12.139444    2.825463    5.705681     1  1088  1089
1089  1088  H     12.448085    3.664805    5.364391     2  1087
1090  1089  H     11.537639    2.500728    5.035897     2  1087
1091  1090  O    -13.009590   -0.361739    9.348594     1  1091  1092
1092  1091  H    -13.604161   -1.080824    9.134974     2  1090
1093  1092  H    -13.250301    0.337344    8.740668     2  1090
1094  1093  O      9.853464   -4.553978  -10.465869     1  1094  1095
1095  1094  H     10.142459   -4.218893  -11.314651     2  1093
1096  1095  H      9.233736   -3.897773  -10.147175     2  1093
1097  1096  O    -13.397022   -2.647684   -7.316391     1  1097  1098
1098  1097  H    -12.999583   -3.237571   -6.675838     2  1096
1099  1098  H    -13.301493   -3.102552   -8.153172     2  1096
1100  1099  O     -8.584006   15.017697   14.936255     1  1100  1101
1101  1100  H     -8.993795   15.841884   14.673535     2  1099
1102  1101  H     -7.907445   15.275017   15.562580     2  1099
1103  1102  O     -5.691692   10.263748  -10.676237     1  1103  1104
1104  1103  H     -6.026319   11.010049  -10.178952     2  1102
1105  1104  H     -6.413441    9.635024  -10.680288     2  1102
1106  1105  O    -15.395791   -8.792519  -12.326811     1  1106  1107
1107  1106  H    -16.029461   -9.503294  -12.229375     2  1105
1108  1107  H    -15.930109   -8.015473  -12.490934     2  1105
1109  1108  O      4.700428   -2.971982   -4.713216     1  1109  1110
1110  1109  H      3.987119   -2.383883   -4.961332     2  1108
1111  1110  H      4.420569   -3.350380   -3.879713     2  1108
1112  1111  O     12.378440   -2.313288   -1.924479     1  1112  1113
1113  1112  H     11.698748   -2.656597   -2.504470     2  1111
1114  1113  H     13.199600   -2.619117   -2.309704     2  1111
1115  1114  O    -13.165813   -8.003871   14.700907     1  1115  1116
1116  1115  H    -12.767958   -7.151459   14.523884     2  1114
1117  1116  H    -12.485020   -8.637901   14.475610     2  1114
1118  1117  O    -10.429243  -14.322317    7.377465     1  1118  1119
1119  1118  H    -10.445707  -13.567436    6.789149     2  1117
1120  1119  H    -10.747082  -15.050056    6.843043     2  1117
1121  1120  O     -3.050253  -11.615998   15.174656     1  1121  1122
1122  1121  H     -3.398039  -11.041762   14.492358     2  1120
1123  1122  H     -2.621900  -11.023045   15.792032     2  1120
1124  1123  O     -5.844652   -0.364959   -7.061156     1  1124  1125
1125  1124  H     -6.764376   -0.421276   -6.801986     2  1123
1126  1125  H     -5.870440   -0.210572   -8.005472     2  1123
1127  1126  O      4.703992   -5.020297    0.076478     1  1127  1128
1128  1127  H      3.931914   -4.963165    0.639385     2  1126
1129  1128  H      5.444332   -4.904730    0.672106     2  1126
1130  1129  O     -2.726111   17.815795   10.052412     1  1130  1131
1131  1130  H     -2.773582   18.757043    9.884985     2  1129
1132  1131  H     -3.625533   17.506974    9.943315     2  1129
1133  1132  O     15.618726    3.447177   -3.362879     1  1133  1134
1134  1133  H     16.420512    3.836161   -3.712256     2  1132
1135  1134  H     15.846496    2.531462   -3.202195     2  1132
1136  1135  O      2.945929    4.730140   -0.245049     1  1136  1137
1137  1136  H      3.281289    4.124732    0.416198     2  1135
1138  1137  H      3.723734    5.019339   -0.722141     2  1135
1139  1138  O     16.872982  -11.201301    9.852592     1  1139  1140
1140  1139  H     16.789634  -10.341311   10.264541     2  1138
1141  1140  H     16.085369  -11.287471    9.315496     2  1138
1142  1141  O    -16.496198    9.698320   -0.829777     1  1142  1143
1143  1142  H    -16.327681   10.430708   -1.422603     2  1141
1144  1143  H    -17.404181    9.818664   -0.551715     2  1141
1145  1144  O      1.972684    2.037364   -7.764679     1  1145  1146
1146  1145  H      1.410720    2.696479   -8.172107     2  1144
1147  1146  H      1.611755    1.924682   -6.885324     2  1144
1148  1147  O      9.566721    7.594244    3.612391     1  1148  1149
1149  1148  H     10.038863    7.790495    4.421588     2  1147
1150  1149  H      9.559013    8.422246    3.132197     2  1147
1151  1150  O     14.303452  -14.751528   -6.387990     1  1151  1152
1152  1151  H     14.387238  -15.633346   -6.750769     2  1150
1153  1152  H     14.873614  -14.753161   -5.619130     2  1150
1154  1153  O     10.164480   -0.382563   16.471173     1  1154  1155
1155  1154  H     10.900378   -0.900419   16.144813     2  1153
1156  1155  H      9.563800   -0.324330   15.728190     2  1153
1157  1156  O     -8.163966   -9.036601    5.667167     1  1157  1158
1158  1157  H     -7.827759   -8.243574    5.249667     2  1156
1159  1158  H     -7.633091   -9.744024    5.301164     2  1156
1160  1159  O    -14.336150   14.172170    5.478511     1  1160  1161
1161  1160  H    -15.183406   13.915591    5.842595     2  1159
1162  1161  H    -13.694331   13.697108    6.006353     2  1159
1163  1162  O    -16.839121  -16.955068    5.327468     1  1163  1164
1164  1163  H    -16.517228  -16.280390    4.729616     2  1162
1165  1164  H    -17.770172  -16.758880    5.431807     2  1162
1166  1165  O     16.626172  -10.894087   12.710461     1  1166  1167
1167  1166  H     16.411645  -11.459820   13.452187     2  1165
1168  1167  H     17.514215  -11.150664   12.461905     2  1165
1169  1168  O      4.366406   -0.588990    6.342423     1  1169  1170
1170  1169  H      4.890470   -0.785712    5.565963     2  1168
1171  1170  H      3.495972   -0.930283    6.137250     2  1168
1172  1171  O     18.042001   -5.688662   14.276667     1  1172  1173
1173  1172  H     18.345107   -5.727358   15.183784     2  1171
1174  1173  H     17.728942   -4.790857   14.166335     2  1171
1175  1174  O     -3.491050   -7.173679    6.101603     1  1175  1176
1176  1175  H     -4.045989   -6.834614    6.803964     2  1174
1177  1176  H     -3.057607   -6.399180    5.743118     2  1174
1178  1177  O    -13.940853    0.297633  -11.326708     1  1178  1179
1179  1178  H    -13.363416   -0.446511  -11.156266     2  1177
1180  1179  H    -13.744842    0.551887  -12.228466     2  1177
1181  1180  O    -11.468866   -6.628772   -8.672003     1  1181  1182
1182  1181  H    -12.105641   -7.341435   -8.618520     2  1180
1183  1182  H    -11.283390   -6.542338   -9.607076     2  1180
1184  1183  O     11.601584  -15.329476   -4.004955     1  1184  1185
1185  1184  H     11.096751  -14.988308   -4.743183     2  1183
1186  1185  H     11.820254  -14.555660   -3.485704     2  1183
1187  1186  O     -6.099769   -7.863832   13.749817     1  1187  1188
1188  1187  H     -5.702686   -7.184754   14.295171     2  1186
1189  1188  H     -6.458212   -8.494247   14.374580     2  1186
1190  1189  O     -7.216589   15.522168    2.170476     1  1190  1191
1191  1190  H     -6.287356   15.314299    2.072754     2  1189
1192  1191  H     -7.659468   14.935871    1.557005     2  1189
1193  1192  O     -4.158975   14.037874  -14.595382     1  1193  1194
1194  1193  H     -3.707954   14.809461  -14.252649     2  1192
1195  1194  H     -4.932357   14.388474  -15.037189     2  1192
1196  1195  O      3.104328   -8.887446   12.021516     1  1196  1197
1197  1196  H      2.717588   -8.774494   12.889793     2  1195
1198  1197  H      3.743182   -8.178308   11.949255     2  1195
1199  1198  O     15.064404   11.394695   14.502251     1  1199  1200
1200  1199  H     14.653641   10.990652   15.266617     2  1198
1201  1200  H     14.655796   10.961219   13.753004     2  1198
1202  1201  O      9.640778   -2.229184  -13.104270     1  1202  1203
1203  1202  H      9.336184   -2.074178  -13.998377     2  1201
1204  1203  H     10.560118   -1.962829  -13.114362     2  1201
1205  1204  O     15.573882    3.741372  -17.635955     1  1205  1206
1206  1205  H     14.868442    4.007506  -17.046244     2  1204
1207  1206  H     15.176364    3.753773  -18.506621     2  1204
1208  1207  O    -14.820706   10.124040   -6.257655     1  1208  1209
1209  1208  H    -14.973547    9.206210   -6.482290     2  1207
1210  1209  H    -13.882359   10.252098   -6.396718     2  1207
1211  1210  O     -4.399230   -9.122331   16.451564     1  1211  1212
1212  1211  H     -4.998056   -9.650641   15.923806     2  1210
1213  1212  H     -4.802668   -9.096983   17.319220     2  1210
1214  1213  O     -4.552194   17.587536    3.456266     1  1214  1215
1215  1214  H     -4.704761   17.370734    2.536509     2  1213
1216  1215  H     -5.424320   17.764016    3.809089     2  1213
1217  1216  O     -3.053789   -7.083557   -6.353916     1  1217  1218
1218  1217  H     -3.241760   -7.044687   -7.291673     2  1216
1219  1218  H     -2.099649   -7.031334   -6.298043     2  1216
1220  1219  O    -15.559440   -2.324361   17.627754     1  1220  1221
1221  1220  H    -16.002226   -1.773482   16.982227     2  1219
1222  1221  H    -15.249834   -1.711260   18.294451     2  1219
1223  1222  O     -2.981572    8.627715   -3.918068     1  1223  1224
1224  1223  H     -2.272528    8.729134   -3.283085     2  1222
1225  1224  H     -3.680015    9.194339   -3.590430     2  1222
1226  1225  O     -6.526862  -15.387484  -16.668513     1  1226  1227
1227  1226  H     -6.521257  -15.117688  -15.750138     2  1225
1228  1227  H     -7.389251  -15.782339  -16.797383     2  1225
1229  1228  O     -6.906237  -15.862641   -3.429589     1  1229  1230
1230  1229  H     -6.829317  -16.810264   -3.318567     2  1228
1231  1230  H     -7.381556  -15.567806   -2.652815     2  1228
1232  1231  O    -15.139375    3.594736  -17.018117     1  1232  1233
1233  1232  H    -15.026723    4.465518  -17.399275     2  1231
1234  1233  H    -16.074464    3.411825  -17.109681     2  1231
1235  1234  O    -15.942360   -6.630837   -8.014513     1  1235  1236
1236  1235  H    -15.605313   -7.455403   -8.364833     2  1234
1237  1236  H    -16.892758   -6.703436   -8.102293     2  1234
1238  1237  O     10.457812   16.683439   10.133221     1  1238  1239
1239  1238  H     10.696622   17.526487    9.747899     2  1237
1240  1239  H     10.684065   16.770116   11.059250     2  1237
1241  1240  O    -16.348936   -0.304639   15.452072     1  1241  1242
1242  1241  H    -16.291132   -1.147509   15.002114     2  1240
1243  1242  H    -15.752394    0.266893   14.968626     2  1240
1244  1243  O     -6.425535   12.282389   -0.581913     1  1244  1245
1245  1244  H     -6.485381   11.475828   -1.093882     2  1243
1246  1245  H     -5.870055   12.858980   -1.106525     2  1243
1247  1246  O      0.874043   -0.030306    2.289161     1  1247  1248
1248  1247  H      0.323348    0.345830    1.602509     2  1246
1249  1248  H      0.281039   -0.586030    2.794878     2  1246
1250  1249  O     -6.579202  -17.098101    0.563352     1  1250  1251
1251  1250  H     -6.402025  -16.194889    0.300580     2  1249
1252  1251  H     -6.755415  -17.044589    1.502670     2  1249
1253  1252  O    -12.138682  -15.709862   12.315193     1  1253  1254
1254  1253  H    -12.843678  -15.999993   12.894017     2  1252
1255  1254  H    -12.588645  -15.318886   11.566258     2  1252
1256  1255  O     17.162920    2.502899   14.046738     1  1256  1257
1257  1256  H     16.941096    1.666038   13.638463     2  1255
1258  1257  H     16.356403    2.778686   14.482289     2  1255
1259  1258  O     -9.466119   -9.045008   -3.431645     1  1259  1260
1260  1259  H     -9.008779   -9.042809   -4.272518     2  1258
1261  1260  H     -8.794148   -8.808351   -2.792363     2  1258
1262  1261  O     11.873971   -0.083474   -0.502337     1  1262  1263
1263  1262  H     11.538261    0.632301   -1.041965     2  1261
1264  1263  H     11.942264   -0.825410   -1.103253     2  1261
1265  1264  O     -7.421832   -5.443818   15.219328     1  1265  1266
1266  1265  H     -8.068723   -6.108801   14.983610     2  1264
1267  1266  H     -7.421042   -4.836796   14.479222     2  1264
1268  1267  O     -9.147715    0.636909    0.078484     1  1268  1269
1269  1268  H     -8.906842    0.780394   -0.836734     2  1267
1270  1269  H     -9.914702    1.193124    0.214820     2  1267
1271  1270  O     -0.934332    7.169499   15.131129     1  1271  1272
1272  1271  H     -0.481191    6.404502   14.776620     2  1270
1273  1272  H     -1.827297    6.865499   15.293705     2  1270
1274  1273  O     -2.887675   12.582645   -9.360098     1  1274  1275
1275  1274  H     -3.122353   12.374980  -10.264551     2  1273
1276  1275  H     -2.749781   13.529861   -9.359379     2  1273
1277  1276  O     -1.237121   -5.310268    6.438308     1  1277  1278
1278  1277  H     -0.362627   -5.430469    6.068114     2  1276
1279  1278  H     -1.729005   -4.860964    5.750989     2  1276
1280  1279  O    -11.537696  -14.479262   -6.736839     1  1280  1281
1281  1280  H    -10.628663  -14.579946   -7.019245     2  1279
1282  1281  H    -11.871235  -13.748605   -7.257536     2  1279
1283  1282  O     -6.466631  -10.600466   15.205985     1  1283  1284
1284  1283  H     -6.162837  -11.462772   14.922490     2  1282
1285  1284  H     -7.404106  -10.715442   15.361401     2  1282
1286  1285  O     -2.498038  -15.220109    5.509110     1  1286  1287
1287  1286  H     -2.901647  -14.523664    6.027085     2  1285
1288  1287  H     -2.762997  -16.029066    5.946852     2  1285
1289  1288  O      7.254535  -10.530703   -4.275527     1  1289  1290
1290  1289  H      7.605647  -10.610173   -3.388600     2  1288
1291  1290  H      7.914734  -10.942782   -4.832807     2  1288
1292  1291  O     -8.353012   -4.949290  -13.616384     1  1292  1293
1293  1292  H     -9.075685   -4.354401  -13.416178     2  1291
1294  1293  H     -8.760314   -5.667007  -14.101380     2  1291
1295  1294  O    -11.336036    3.254115  -13.357049     1  1295  1296
1296  1295  H    -11.081552    2.491078  -13.875937     2  1294
1297  1296  H    -12.224455    3.457707  -13.649446     2  1294
1298  1297  O     17.972002    6.206846    4.995987     1  1298  1299
1299  1298  H     17.128505    6.344744    5.426950     2  1297
1300  1299  H     17.889698    5.350749    4.575802     2  1297
1301  1300  O     11.358750   -9.945549   15.417317     1  1301  1302
1302  1301  H     10.406098   -9.991869   15.498197     2  1300
1303  1302  H     11.533212   -9.043554   15.148614     2  1300
1304  1303  O     11.094184   13.346748   12.831037     1  1304  1305
1305  1304  H     12.004346   13.352274   13.127360     2  1303
1306  1305  H     11.012999   12.541335   12.320202     2  1303
1307  1306  O     -4.556581   -4.757568   -5.368218     1  1307  1308
1308  1307  H     -4.925565   -4.753316   -6.251431     2  1306
1309  1308  H     -3.900033   -5.453894   -5.385770     2  1306
1310  1309  O    -16.220982   17.527906    2.455485     1  1310  1311
1311  1310  H    -16.691614   17.272634    3.248942     2  1309
1312  1311  H    -15.683132   18.272582    2.724572     2  1309
1313  1312  O     -6.789349    8.305975    9.735264     1  1313  1314
1314  1313  H     -7.159627    7.441213    9.912222     2  1312
1315  1314  H     -7.355327    8.911845   10.213618     2  1312
1316  1315  O    -11.440978    8.598312   17.918526     1  1316  1317
1317  1316  H    -11.740936    9.502134   17.821764     2  1315
1318  1317  H    -12.234208    8.102671   18.121896     2  1315
1319  1318  O      4.566759   -7.229473   16.490366     1  1319  1320
1320  1319  H      4.637433   -6.757197   15.660792     2  1318
1321  1320  H      3.886469   -7.884955   16.336152     2  1318
1322  1321  O    -15.344693  -11.919497    7.083307     1  1322  1323
1323  1322  H    -14.816351  -12.211968    6.340645     2  1321
1324  1323  H    -14.968152  -12.371381    7.838456     2  1321
1325  1324  O     -9.648722    6.892988   16.982171     1  1325  1326
1326  1325  H    -10.253199    7.521949   17.376187     2  1324
1327  1326  H    -10.201416    6.151788   16.734413     2  1324
1328  1327  O     11.377492   18.121174   12.536018     1  1328  1329
1329  1328  H     10.558807   18.091954   13.031128     2  1327
1330  1329  H     12.046314   17.842528   13.161531     2  1327
1331  1330  O     -6.879154   -2.446827   -0.841531     1  1331  1332
1332  1331  H     -6.353814   -3.231940   -0.687098     2  1330
1333  1332  H     -6.312275   -1.722693   -0.575992     2  1330
1334  1333  O     17.085507   -0.989132   -7.117399     1  1334  1335
1335  1334  H     17.920604   -1.100022   -7.571876     2  1333
1336  1335  H     16.540659   -1.708007   -7.437701     2  1333
1337  1336  O    -17.435291   16.241182  -11.409210     1  1337  1338
1338  1337  H    -17.131711   17.139067  -11.275514     2  1336
1339  1338  H    -16.982920   15.732224  -10.736488     2  1336
1340  1339  O     -8.909221  -12.050727   -2.705584     1  1340  1341
1341  1340  H     -9.184522  -11.606956   -1.903394     2  1339
1342  1341  H     -7.980209  -11.836742   -2.791494     2  1339
1343  1342  O     -2.404963  -13.371854   12.388704     1  1343  1344
1344  1343  H     -2.913225  -13.080807   11.631609     2  1342
1345  1344  H     -2.996029  -13.955249   12.864649     2  1342
1346  1345  O    -12.493685   -5.059755   -6.165014     1  1346  1347
1347  1346  H    -12.326698   -5.410572   -7.039814     2  1345
1348  1347  H    -12.182553   -5.741596   -5.569597     2  1345
1349  1348  O    -15.487418   -9.748747   10.530102     1  1349  1350
1350  1349  H    -15.875946   -9.087892   11.103295     2  1348
1351  1350  H    -14.543725   -9.652946   10.658552     2  1348
1352  1351  O     13.547750    6.790504   -6.788015     1  1352  1353
1353  1352  H     14.207608    6.191021   -6.439533     2  1351
1354  1353  H     13.812712    6.937532   -7.695986     2  1351
1355  1354  O    -17.269287   -7.914686   -5.683796     1  1355  1356
1356  1355  H    -16.656187   -7.840490   -6.415120     2  1354
1357  1356  H    -17.215477   -7.068938   -5.238771     2  1354
1358  1357  O    -14.290232    0.084068   -2.820182     1  1358  1359
1359  1358  H    -13.960817   -0.192439   -3.675321     2  1357
1360  1359  H    -13.552335   -0.047353   -2.224808     2  1357
1361  1360  O      1.481427   -8.896374   17.414453     1  1361  1362
1362  1361  H      1.574495   -9.347639   18.253459     2  1360
1363  1362  H      0.959114   -8.120015   17.616167     2  1360
1364  1363  O     15.861335   -0.975241  -15.882452     1  1364  1365
1365  1364  H     15.781073   -1.921883  -15.765578     2  1363
1366  1365  H     16.018212   -0.861611  -16.819847     2  1363
1367  1366  O     -4.695773   -7.214593  -14.188029     1  1367  1368
1368  1367  H     -5.096024   -6.537999  -14.734152     2  1366
1369  1368  H     -5.400522   -7.842432  -14.028724     2  1366
1370  1369  O    -16.399553   -7.775942  -15.365570     1  1370  1371
1371  1370  H    -16.729917   -7.039307  -15.879827     2  1369
1372  1371  H    -16.204182   -7.400730  -14.506921     2  1369
1373  1372  O     -8.842177  -11.267931   11.294339     1  1373  1374
1374  1373  H     -9.593473  -11.733539   10.926920     2  1372
1375  1374  H     -8.338405  -10.985177   10.531125     2  1372
1376  1375  O    -15.220648  -12.764091   -6.738511     1  1376  1377
1377  1376  H    -15.865653  -12.749999   -6.031402     2  1375
1378  1377  H    -14.929885  -13.675117   -6.779994     2  1375
1379  1378  O      3.960640   15.151899   -9.165742     1  1379  1380
1380  1379  H      3.372117   15.056803   -8.416856     2  1378
1381  1380  H      3.489473   15.725687   -9.769895     2  1378
1382  1381  O     -7.268730   13.593017   -4.473143     1  1382  1383
1383  1382  H     -7.150554   12.732199   -4.874716     2  1381
1384  1383  H     -6.534185   13.677105   -3.865192     2  1381
1385  1384  O     11.320569   15.913974   14.882275     1  1385  1386
1386  1385  H     10.920781   15.190589   15.365097     2  1384
1387  1386  H     11.608018   15.522221   14.057572     2  1384
1388  1387  O    -12.989505  -12.188837  -16.698232     1  1388  1389
1389  1388  H    -13.065699  -11.910120  -17.610780     2  1387
1390  1389  H    -12.901032  -11.373388  -16.204829     2  1387
1391  1390  O    -10.852461   16.966932  -13.230056     1  1391  1392
1392  1391  H    -11.398869   16.234441  -12.945227     2  1390
1393  1392  H    -11.457378   17.556923  -13.679743     2  1390
1394  1393  O     -6.206443   -5.603170   -7.713665     1  1394  1395
1395  1394  H     -5.539869   -6.266464   -7.892420     2  1393
1396  1395  H     -6.000010   -4.887403   -8.314743     2  1393
1397  1396  O     -3.171844   -4.018036   14.219392     1  1397  1398
1398  1397  H     -2.757441   -3.467818   13.554740     2  1396
1399  1398  H     -3.948192   -4.373459   13.786735     2  1396
1400  1399  O     -0.602489  -10.794510    6.331498     1  1400  1401
1401  1400  H     -0.642180   -9.843858    6.435992     2  1399
1402  1401  H     -0.038563  -11.091120    7.045811     2  1399
1403  1402  O     -2.164196   -5.439027  -15.623619     1  1403  1404
1404  1403  H     -1.867486   -4.535942  -15.511225     2  1402
1405  1404  H     -2.072104   -5.831689  -14.755536     2  1402
1406  1405  O    -14.066260   -3.644592   -3.938949     1  1406  1407
1407  1406  H    -13.254023   -3.263190   -4.272167     2  1405
1408  1407  H    -14.092132   -4.523092   -4.318161     2  1405
1409  1408  O      8.574079   -1.328808  -15.376365     1  1409  1410
1410  1409  H      8.543409   -0.490278  -14.915758     2  1408
1411  1410  H      9.000819   -1.129420  -16.209654     2  1408
1412  1411  O     12.206206   -3.672489   12.356693     1  1412  1413
1413  1412  H     12.270180   -2.764179   12.061544     2  1411
1414  1413  H     12.696194   -4.172118   11.703612     2  1411
1415  1414  O      3.478720  -15.078802    5.248089     1  1415  1416
1416  1415  H      2.828943  -15.422971    4.635252     2  1414
1417  1416  H      4.241225  -15.645861    5.132922     2  1414
1418  1417  O     -0.396962   -4.282294   -2.756629     1  1418  1419
1419  1418  H     -0.264266   -3.342360   -2.879707     2  1417
1420  1419  H     -1.338002   -4.374323   -2.607612     2  1417
1421  1420  O    -17.481566   -4.169106  -13.728420     1  1421  1422
1422  1421  H    -17.455708   -3.254839  -14.010696     2  1420
1423  1422  H    -17.195013   -4.665215  -14.495229     2  1420
1424  1423  O      6.507883   14.964852   11.801722     1  1424  1425
1425  1424  H      5.875439   14.507413   12.355795     2  1423
1426  1425  H      7.354941   14.592147   12.046297     2  1423
1427  1426  O     -4.599061   16.718230  -15.438695     1  1427  1428
1428  1427  H     -5.175064   17.038994  -14.744748     2  1426
1429  1428  H     -4.378608   17.498515  -15.947409     2  1426
1430  1429  O     10.671987    0.866757    9.351244     1  1430  1431
1431  1430  H     10.153802    1.595164    9.693500     2  1429
1432  1431  H     11.461061    1.278328    8.998818     2  1429
1433  1432  O    -17.467114   11.429522  -17.001057     1  1433  1434
1434  1433  H    -17.214055   12.339893  -17.154085     2  1432
1435  1434  H    -16.762615   11.072232  -16.460450     2  1432
1436  1435  O    -16.290279  -16.893807   11.062291     1  1436  1437
1437  1436  H    -16.769506  -16.801612   10.238838     2  1435
1438  1437  H    -15.415541  -17.180693   10.800063     2  1435
1439  1438  O    -13.103344  -10.155626   17.557022     1  1439  1440
1440  1439  H    -12.568741   -9.618431   16.972339     2  1438
1441  1440  H    -13.550562   -9.524504   18.120860     2  1438
1442  1441  O     -3.015706  -15.903681   -0.040337     1  1442  1443
1443  1442  H     -2.561169  -15.077539   -0.205013     2  1441
1444  1443  H     -2.945940  -16.031544    0.905716     2  1441
1445  1444  O    -13.021613   -3.583308  -10.073691     1  1445  1446
1446  1445  H    -13.119386   -3.074382  -10.878469     2  1444
1447  1446  H    -12.169407   -3.320773   -9.725764     2  1444
1448  1447  O     -0.538555  -10.782828   -8.363964     1  1448  1449
1449  1448  H     -0.098489  -11.211113   -9.098229     2  1447
1450  1449  H     -0.577655  -11.454284   -7.682898     2  1447
1451  1450  O     15.209819   15.089538  -17.419259     1  1451  1452
1452  1451  H     15.550891   15.415987  -16.586592     2  1450
1453  1452  H     15.749251   15.517770  -18.083986     2  1450
1454  1453  O    -15.979382    5.929423    8.291303     1  1454  1455
1455  1454  H    -15.319477    5.434622    7.805576     2  1453
1456  1455  H    -15.516435    6.708426    8.599633     2  1453
1457  1456  O      1.116354   13.001930    9.246278     1  1457  1458
1458  1457  H      1.152355   13.804287    8.725548     2  1456
1459  1458  H      0.981092   13.304496   10.144270     2  1456
1460  1459  O    -13.200314    1.368016   -8.628335     1  1460  1461
1461  1460  H    -13.645840    2.215174   -8.620354     2  1459
1462  1461  H    -13.341828    1.030767   -9.512908     2  1459
1463  1462  O      0.620673   13.112694   -4.949958     1  1463  1464
1464  1463  H     -0.108815   13.077592   -5.568705     2  1462
1465  1464  H      0.759438   12.201802   -4.690625     2  1462
1466  1465  O     -7.871850    1.802561    8.744904     1  1466  1467
1467  1466  H     -7.549687    0.934018    8.503914     2  1465
1468  1467  H     -7.156451    2.193151    9.246776     2  1465
1469  1468  O      0.118466   -6.639091   12.050371     1  1469  1470
1470  1469  H     -0.171797   -6.441318   12.940801     2  1468
1471  1470  H     -0.646498   -7.032369   11.630377     2  1468
1472  1471  O     -7.663760   -2.488212   -3.832226     1  1472  1473
1473  1472  H     -7.180337   -2.625305   -3.017524     2  1471
1474  1473  H     -7.611563   -1.544958   -3.986436     2  1471
1475  1474  O     -6.142096  -12.329704   12.396887     1  1475  1476
1476  1475  H     -6.193311  -12.536080   11.463603     2  1474
1477  1476  H     -5.357101  -12.785444   12.700724     2  1474
1478  1477  O     -3.670603  -16.135874    9.196288     1  1478  1479
1479  1478  H     -3.060965  -15.454121    9.478754     2  1477
1480  1479  H     -3.786374  -15.980891    8.258840     2  1477
1481  1480  O    -15.698103   -9.296062   -3.218896     1  1481  1482
1482  1481  H    -16.596479   -9.042432   -3.430615     2  1480
1483  1482  H    -15.194462   -9.070776   -4.001088     2  1480
1484  1483  O    -10.860732  -11.439385   -4.708142     1  1484  1485
1485  1484  H    -10.035688  -11.661348   -4.276556     2  1483
1486  1485  H    -10.883125  -10.482450   -4.705444     2  1483
1487  1486  O     -9.881606   -6.013546  -15.493424     1  1487  1488
1488  1487  H     -9.655908   -5.377753  -16.172438     2  1486
1489  1488  H     -9.701891   -6.864833  -15.892481     2  1486
1490  1489  O     15.928415   12.904899   -4.447698     1  1490  1491
1491  1490  H     15.110236   12.410815   -4.499627     2  1489
1492  1491  H     15.801945   13.501739   -3.710120     2  1489
1493  1492  O     -4.538114   -8.588369    3.991723     1  1493  1494
1494  1493  H     -4.164739   -8.185063    4.775411     2  1492
1495  1494  H     -3.853642   -9.178403    3.676144     2  1492
1496  1495  O     10.621226    0.809164   -6.243982     1  1496  1497
1497  1496  H     10.352526   -0.087770   -6.045127     2  1495
1498  1497  H     11.281559    0.715240   -6.930547     2  1495
1499  1498  O    -11.249886   -7.290744    5.560309     1  1499  1500
1500  1499  H    -10.956122   -6.500083    6.012848     2  1498
1501  1500  H    -11.589137   -7.853572    6.256272     2  1498
1502  1501  O     -0.951063   13.751149   -1.212132     1  1502  1503
1503  1502  H     -1.431673   14.305678   -1.826741     2  1501
1504  1503  H     -0.132926   14.221967   -1.053344     2  1501
1505  1504  O     10.388634   -4.995098   13.827154     1  1505  1506
1506  1505  H     11.142642   -4.743075   13.294061     2  1504
1507  1506  H      9.632081   -4.838366   13.262092     2  1504
1508  1507  O      9.767143  -17.716589   -7.015710     1  1508  1509
1509  1508  H      9.433063  -17.917622   -7.889901     2  1507
1510  1509  H     10.702352  -17.914594   -7.064800     2  1507
1511  1510  O     16.157539   -9.940423    5.466753     1  1511  1512
1512  1511  H     17.050326   -9.856638    5.131874     2  1510
1513  1512  H     15.715883  -10.506423    4.833653     2  1510
1514  1513  O     14.632378  -14.084069   -3.716497     1  1514  1515
1515  1514  H     13.755438  -13.806970   -3.451119     2  1513
1516  1515  H     14.984209  -13.336603   -4.199966     2  1513
1517  1516  O      2.020562    2.869510    4.994949     1  1517  1518
1518  1517  H      1.869353    3.356059    4.184616     2  1516
1519  1518  H      1.332193    2.204512    5.007595     2  1516
1520  1519  O      6.690236   17.978238  -13.802659     1  1520  1521
1521  1520  H      6.065610   18.338897  -14.431944     2  1519
1522  1521  H      6.756799   17.051944  -14.034569     2  1519
1523  1522  O      6.829104   13.974450  -11.769571     1  1523  1524
1524  1523  H      7.568044   13.467170  -11.433614     2  1522
1525  1524  H      7.017191   14.083944  -12.701702     2  1522
1526  1525  O      9.238505  -15.822349  -10.960820     1  1526  1527
1527  1526  H      9.096009  -16.693632  -10.590966     2  1525
1528  1527  H     10.077305  -15.889541  -11.417035     2  1525
1529  1528  O      4.012158  -11.154409   17.470582     1  1529  1530
1530  1529  H      3.694067  -10.257248   17.369822     2  1528
1531  1530  H      4.185518  -11.449391   16.576622     2  1528
1532  1531  O    -17.191047   -2.942055   -9.922869     1  1532  1533
1533  1532  H    -16.986867   -2.386336   -9.170726     2  1531
1534  1533  H    -16.522384   -3.626719   -9.903939     2  1531
1535  1534  O      1.840799   -4.164649    3.885004     1  1535  1536
1536  1535  H      1.956491   -3.685341    3.064571     2  1534
1537  1536  H      2.189427   -3.578456    4.556620     2  1534
1538  1537  O     -0.828314   11.104866    9.311457     1  1538  1539
1539  1538  H     -0.242746   11.854501    9.204729     2  1537
1540  1539  H     -0.611819   10.752204   10.174586     2  1537
1541  1540  O      3.709037    7.012723    9.583647     1  1541  1542
1542  1541  H      2.896116    7.504640    9.699446     2  1540
1543  1542  H      4.219266    7.534695    8.964418     2  1540
1544  1543  O     12.503580   16.888199    6.622770     1  1544  1545
1545  1544  H     12.592823   15.935463    6.599058     2  1543
1546  1545  H     11.756010   17.044927    7.199665     2  1543
1547  1546  O      1.793145   -8.788353   14.708773     1  1547  1548
1548  1547  H      1.823474   -8.797405   15.665450     2  1546
1549  1548  H      1.134141   -8.127604   14.495799     2  1546
1550  1549  O    -14.489873   -4.078564   14.019309     1  1550  1551
1551  1550  H    -14.003219   -3.537787   14.641370     2  1549
1552  1551  H    -15.349751   -3.662139   13.960720     2  1549
1553  1552  O     14.197338   -8.470492    6.682912     1  1553  1554
1554  1553  H     14.915332   -8.663512    6.080035     2  1552
1555  1554  H     14.582721   -8.566910    7.553783     2  1552
1556  1555  O     -0.172912  -10.344940  -12.635265     1  1556  1557
1557  1556  H     -0.041849  -10.068921  -11.728144     2  1555
1558  1557  H      0.704838  -10.562290  -12.949185     2  1555
1559  1558  O      1.872646   -1.303554    5.457603     1  1559  1560
1560  1559  H      1.059113   -0.908141    5.144480     2  1558
1561  1560  H      1.616456   -1.792173    6.239812     2  1558
1562  1561  O      5.738846   14.902277    4.446651     1  1562  1563
1563  1562  H      6.142208   15.758211    4.591248     2  1561
1564  1563  H      5.182386   14.766571    5.213573     2  1561
1565  1564  O     -4.909186   17.175826    0.823424     1  1565  1566
1566  1565  H     -4.177589   17.411141    0.252788     2  1564
1567  1566  H     -5.519113   17.909526    0.746570     2  1564
1568  1567  O     -5.811993  -16.647363   -8.826036     1  1568  1569
1569  1568  H     -5.708190  -17.422903   -9.377395     2  1567
1570  1569  H     -5.798067  -16.985780   -7.930764     2  1567
1571  1570  O    -15.619323    7.555634  -13.722072     1  1571  1572
1572  1571  H    -15.398318    6.922510  -14.405112     2  1570
1573  1572  H    -14.776541    7.800293  -13.339849     2  1570
1574  1573  O    -13.192851    5.204203    6.872482     1  1574  1575
1575  1574  H    -12.466574    4.961681    6.298079     2  1573
1576  1575  H    -13.952047    5.253609    6.291610     2  1573
1577  1576  O     15.157921    3.657228   -9.710883     1  1577  1578
1578  1577  H     15.635966    2.867448   -9.457993     2  1576
1579  1578  H     15.331492    3.753304  -10.647300     2  1576
1580  1579  O      6.773465  -14.721377   -0.911248     1  1580  1581
1581  1580  H      7.644729  -14.339159   -1.016324     2  1579
1582  1581  H      6.902831  -15.658097   -1.059749     2  1579
1583  1582  O     13.324269  -13.762683    7.086826     1  1583  1584
1584  1583  H     12.453722  -13.754218    6.688946     2  1582
1585  1584  H     13.282608  -14.460708    7.740475     2  1582
1586  1585  O    -10.520986  -10.489818  -14.884799     1  1586  1587
1587  1586  H    -11.460621  -10.323455  -14.809684     2  1585
1588  1587  H    -10.227081  -10.617853  -13.982879     2  1585
1589  1588  O     13.108318   14.815932   -6.248230     1  1589  1590
1590  1589  H     13.456173   15.472439   -5.644716     2  1588
1591  1590  H     13.409755   15.099690   -7.111277     2  1588
1592  1591  O      9.050668  -13.276274   16.553225     1  1592  1593
1593  1592  H      9.509562  -13.933033   16.029473     2  1591
1594  1593  H      8.124459  -13.498980   16.459569     2  1591
1595  1594  O     10.154157   -3.686247   -2.772493     1  1595  1596
1596  1595  H     10.660872   -3.847646   -3.568372     2  1594
1597  1596  H      9.364703   -4.216984   -2.878857     2  1594
1598  1597  O     13.473916   13.975939   13.895898     1  1598  1599
1599  1598  H     14.022897   13.206604   14.047479     2  1597
1600  1599  H     14.017225   14.715731   14.167478     2  1597
1601  1600  O    -13.287490   15.222547    3.232508     1  1601  1602
1602  1601  H    -12.606547   14.555907    3.142284     2  1600
1603  1602  H    -13.816700   14.926341    3.973070     2  1600
1604  1603  O      9.276550  -11.128929  -10.852520     1  1604  1605
1605  1604  H      9.370482  -10.641870  -10.033873     2  1603
1606  1605  H      9.027084  -12.011728  -10.579273     2  1603
1607  1606  O      7.480471   -2.728448   13.165192     1  1607  1608
1608  1607  H      7.312897   -1.991526   12.577742     2  1606
1609  1608  H      7.897987   -3.387410   12.610500     2  1606
1610  1609  O     10.329745   -7.226097   -2.165461     1  1610  1611
1611  1610  H     10.574928   -7.186149   -3.089865     2  1609
1612  1611  H      9.498220   -7.700169   -2.157996     2  1609
1613  1612  O    -17.720009   16.821841    0.178795     1  1613  1614
1614  1613  H    -17.194133   17.356555    0.773579     2  1612
1615  1614  H    -17.519753   17.164284   -0.692333     2  1612
1616  1615  O      3.895810  -11.277322   14.748067     1  1616  1617
1617  1616  H      3.121839  -11.791095   14.517332     2  1615
1618  1617  H      4.230462  -10.957991   13.910053     2  1615
1619  1618  O     -4.351201  -17.157794  -16.647389     1  1619  1620
1620  1619  H     -3.772438  -16.754820  -16.000180     2  1618
1621  1620  H     -5.071699  -16.535322  -16.745590     2  1618
1622  1621  O    -10.132654   -6.831480  -11.088782     1  1622  1623
1623  1622  H     -9.860557   -7.152807  -11.948401     2  1621
1624  1623  H     -9.400069   -6.291963  -10.791339     2  1621
1625  1624  O     -2.336018   -8.211841  -13.573274     1  1625  1626
1626  1625  H     -2.582172   -9.054104  -13.190867     2  1624
1627  1626  H     -3.169687   -7.778586  -13.756353     2  1624
1628  1627  O      1.925810   -1.016894   10.110674     1  1628  1629
1629  1628  H      1.617356   -0.318763    9.533005     2  1627
1630  1629  H      1.132434   -1.348574   10.531121     2  1627
1631  1630  O     -3.414706   -1.481099   -6.265025     1  1631  1632
1632  1631  H     -4.260031   -1.147376   -6.565504     2  1630
1633  1632  H     -2.908609   -1.609782   -7.067233     2  1630
1634  1633  O    -14.054780   -8.069038  -17.364171     1  1634  1635
1635  1634  H    -13.535932   -7.403864  -16.911874     2  1633
1636  1635  H    -14.903262   -8.053644  -16.921367     2  1633
1637  1636  O     -8.555108   18.222483   -5.633553     1  1637  1638
1638  1637  H     -8.840304   17.817057   -6.452410     2  1636
1639  1638  H     -8.612957   17.520553   -4.985340     2  1636
1640  1639  O      3.975131  -10.108843    0.943868     1  1640  1641
1641  1640  H      4.212776  -10.312153    1.848535     2  1639
1642  1641  H      4.074125   -9.159100    0.877382     2  1639
1643  1642  O     11.438326   -6.970751    0.244896     1  1643  1644
1644  1643  H     11.971518   -6.179402    0.169357     2  1642
1645  1644  H     10.897810   -6.972256   -0.545087     2  1642
1646  1645  O      4.362387    1.769245  -17.647223     1  1646  1647
1647  1646  H      4.369716    1.125736  -18.355796     2  1645
1648  1647  H      3.949593    1.313661  -16.913549     2  1645
1649  1648  O     10.943906  -13.705118    9.608868     1  1649  1650
1650  1649  H     11.600538  -13.051076    9.369503     2  1648
1651  1650  H     10.869512  -13.633386   10.560473     2  1648
1652  1651  O     -6.332208   -1.708360    9.355246     1  1652  1653
1653  1652  H     -7.085948   -1.232261    9.006767     2  1651
1654  1653  H     -6.712592   -2.371227    9.931569     2  1651
1655  1654  O      2.399242  -10.575493  -13.983647     1  1655  1656
1656  1655  H      3.205249  -10.094023  -14.170119     2  1654
1657  1656  H      2.631332  -11.162421  -13.264006     2  1654
1658  1657  O      2.574840   11.040532    7.812795     1  1658  1659
1659  1658  H      1.757493   10.820435    7.365878     2  1657
1660  1659  H      2.382229   11.854497    8.278192     2  1657
1661  1660  O     13.585347   -5.972798    6.683690     1  1661  1662
1662  1661  H     13.642692   -5.965245    5.728239     2  1660
1663  1662  H     13.603013   -6.900750    6.917840     2  1660
1664  1663  O      5.003260  -12.429683   -7.932611     1  1664  1665
1665  1664  H      5.956833  -12.499083   -7.886638     2  1663
1666  1665  H      4.694486  -12.820952   -7.115421     2  1663
1667  1666  O      2.399454  -16.030544   -5.562115     1  1667  1668
1668  1667  H      2.736728  -16.484298   -4.789725     2  1666
1669  1668  H      1.464908  -16.237281   -5.572892     2  1666
1670  1669  O      9.053520    2.822917  -12.689525     1  1670  1671
1671  1670  H      8.355787    2.204342  -12.905782     2  1669
1672  1671  H      9.300557    3.209354  -13.529687     2  1669
1673  1672  O    -16.663850  -17.320219  -10.302822     1  1673  1674
1674  1673  H    -16.008243  -17.517023  -10.971912     2  1672
1675  1674  H    -16.980323  -16.445106  -10.526996     2  1672
1676  1675  O     12.295947   11.488784    5.225343     1  1676  1677
1677  1676  H     11.427003   11.509809    4.824437     2  1675
1678  1677  H     12.136688   11.217170    6.129276     2  1675
1679  1678  O      4.177901  -14.588335   -9.503089     1  1679  1680
1680  1679  H      4.864313  -14.914984  -10.084787     2  1678
1681  1680  H      4.567177  -13.824167   -9.077948     2  1678
1682  1681  O    -17.143071   -2.666836   11.365532     1  1682  1683
1683  1682  H    -17.367938   -1.912374   10.821055     2  1681
1684  1683  H    -16.254899   -2.484969   11.672627     2  1681
1685  1684  O      9.095707  -14.443389    3.057243     1  1685  1686
1686  1685  H      9.551897  -15.097788    3.586284     2  1684
1687  1686  H      9.445280  -14.562579    2.174165     2  1684
1688  1687  O    -13.637515   -8.711001   -5.060434     1  1688  1689
1689  1688  H    -12.963719   -8.166225   -4.653677     2  1687
1690  1689  H    -13.492618   -8.609501   -6.001144     2  1687
1691  1690  O      6.881764   -8.729684    3.171569     1  1691  1692
1692  1691  H      6.011962   -9.129266    3.168153     2  1690
1693  1692  H      6.985912   -8.389099    4.060044     2  1690
1694  1693  O      6.152010   15.932407   -1.259571     1  1694  1695
1695  1694  H      7.053473   15.818285   -1.560524     2  1693
1696  1695  H      5.634525   15.977802   -2.063549     2  1693
1697  1696  O     10.752861  -16.217899    4.627824     1  1697  1698
1698  1697  H     10.162748  -16.753836    5.157702     2  1696
1699  1698  H     10.706081  -15.347249    5.022808     2  1696
1700  1699  O     14.650168   12.268971   -8.461616     1  1700  1701
1701  1700  H     15.196462   12.756241   -7.844880     2  1699
1702  1701  H     15.228998   11.591784   -8.811769     2  1699
1703  1702  O     14.471957   -6.113593   14.996814     1  1703  1704
1704  1703  H     14.891042   -6.055148   14.138219     2  1702
1705  1704  H     15.149536   -6.470943   15.570766     2  1702
1706  1705  O     12.188347   -5.876491  -13.882102     1  1706  1707
1707  1706  H     11.575285   -6.481175  -13.464076     2  1705
1708  1707  H     12.536135   -6.364986  -14.628191     2  1705
1709  1708  O     -1.807331    8.754000    0.581007     1  1709  1710
1710  1709  H     -1.844210    8.766343   -0.375403     2  1708
1711  1710  H     -0.879342    8.866660    0.786863     2  1708
1712  1711  O      1.035525  -11.341089    8.506569     1  1712  1713
1713  1712  H      1.514273  -11.969441    7.966008     2  1711
1714  1713  H      1.717476  -10.812849    8.921465     2  1711
1715  1714  O      6.268078    8.275742   16.182016     1  1715  1716
1716  1715  H      5.861232    8.038654   15.348650     2  1714
1717  1716  H      6.390572    7.441555   16.635183     2  1714
1718  1717  O     17.639344   -9.316852   -2.376838     1  1718  1719
1719  1718  H     17.218725  -10.029513   -1.895769     2  1717
1720  1719  H     17.169610   -8.530219   -2.099727     2  1717
1721  1720  O      2.642462  -16.790525   -8.775361     1  1721  1722
1722  1721  H      1.886635  -16.254407   -8.535493     2  1720
1723  1722  H      3.395307  -16.314385   -8.425008     2  1720
1724  1723  O      6.581925    0.473461  -16.286493     1  1724  1725
1725  1724  H      6.512621   -0.315338  -16.824291     2  1723
1726  1725  H      5.869689    1.035389  -16.591761     2  1723
1727  1726  O      1.389575   -5.982046   -1.444041     1  1727  1728
1728  1727  H      1.913845   -5.913957   -2.241999     2  1726
1729  1728  H      0.742285   -5.281169   -1.521636     2  1726
1730  1729  O      8.779430   -0.053731   14.197641     1  1730  1731
1731  1730  H      8.224436    0.434871   13.589791     2  1729
1732  1731  H      8.186747   -0.679965   14.613322     2  1729
1733  1732  O     17.604797  -14.180271  -12.930327     1  1733  1734
1734  1733  H     18.347427  -14.374573  -13.502148     2  1732
1735  1734  H     17.300052  -13.319326  -13.216922     2  1732
1736  1735  O     -7.182488   -4.766109    2.160508     1  1736  1737
1737  1736  H     -6.550539   -4.370182    1.560411     2  1735
1738  1737  H     -8.023233   -4.382536    1.911004     2  1735
1739  1738  O     11.422124   -9.734524  -11.995431     1  1739  1740
1740  1739  H     11.152468   -9.690621  -11.078048     2  1738
1741  1740  H     11.537462  -10.669094  -12.167206     2  1738
1742  1741  O     12.721176  -11.011902   12.585892     1  1742  1743
1743  1742  H     13.349377  -11.313415   11.929626     2  1741
1744  1743  H     13.046195  -10.151754   12.851862     2  1741
1745  1744  O      5.762870  -13.999180    9.857951     1  1745  1746
1746  1745  H      6.493897  -13.472480    9.534811     2  1744
1747  1746  H      6.063193  -14.904094    9.773283     2  1744
1748  1747  O     13.916480   10.348122   11.921800     1  1748  1749
1749  1748  H     14.772431    9.924467   11.857790     2  1747
1750  1749  H     13.854670   10.884847   11.131650     2  1747
1751  1750  O     17.333366   13.141570   10.986163     1  1751  1752
1752  1751  H     17.009659   14.028408   11.144163     2  1750
1753  1752  H     17.616227   13.148706   10.071739     2  1750
1754  1753  O      8.185502    4.335599   12.356151     1  1754  1755
1755  1754  H      7.236606    4.455422   12.317784     2  1753
1756  1755  H      8.492329    5.033585   12.934862     2  1753
1757  1756  O      9.543639  -11.728245   -5.116839     1  1757  1758
1758  1757  H     10.487371  -11.596935   -5.025407     2  1756
1759  1758  H      9.436552  -12.678491   -5.159236     2  1756
1760  1759  O      1.391761    4.374728    2.922950     1  1760  1761
1761  1760  H      1.392985    5.203182    3.402423     2  1759
1762  1761  H      1.170496    4.618034    2.024020     2  1759
1763  1762  O      8.514042   -3.505780    4.092991     1  1763  1764
1764  1763  H      9.165095   -2.827879    3.911847     2  1762
1765  1764  H      8.947569   -4.096396    4.708993     2  1762
1766  1765  O    -14.398969   -1.235996    5.679326     1  1766  1767
1767  1766  H    -13.885935   -1.084880    4.885480     2  1765
1768  1767  H    -14.253727   -0.453721    6.211475     2  1765
1769  1768  O     -0.373061  -12.053384   -5.551349     1  1769  1770
1770  1769  H      0.041576  -12.585534   -4.872288     2  1768
1771  1770  H     -1.122586  -12.574075   -5.840013     2  1768
1772  1771  O      8.876233   -2.526105   -0.466832     1  1772  1773
1773  1772  H      8.965015   -3.252457    0.150228     2  1771
1774  1773  H      9.211344   -2.871732   -1.294163     2  1771
1775  1774  O     -1.790282    5.647369    7.393191     1  1775  1776
1776  1775  H     -1.583733    6.250775    8.106964     2  1774
1777  1776  H     -2.722198    5.785761    7.224040     2  1774
1778  1777  O     11.957905   -4.530702   -8.317465     1  1778  1779
1779  1778  H     11.807045   -3.887040   -7.625242     2  1777
1780  1779  H     12.293817   -4.018104   -9.052747     2  1777
1781  1780  O     -9.327202   -7.313012   14.790789     1  1781  1782
1782  1781  H    -10.134552   -6.806117   14.704319     2  1780
1783  1782  H     -9.136834   -7.614520   13.902485     2  1780
1784  1783  O     16.565966   13.286269   15.557203     1  1784  1785
1785  1784  H     16.282169   12.471157   15.143337     2  1783
1786  1785  H     17.464645   13.112893   15.837469     2  1783
1787  1786  O      3.573160  -12.155271  -11.945707     1  1787  1788
1788  1787  H      4.211805  -11.442360  -11.956746     2  1786
1789  1788  H      3.114947  -12.054095  -11.111419     2  1786
1790  1789  O     -3.097326    6.425574    4.336366     1  1790  1791
1791  1790  H     -3.780971    6.260266    3.687109     2  1789
1792  1791  H     -2.629282    7.190881    4.002489     2  1789
1793  1792  O      8.527875   -9.328635    9.412111     1  1793  1794
1794  1793  H      9.316769   -9.428113    9.945012     2  1792
1795  1794  H      7.808228   -9.539228   10.007083     2  1792
1796  1795  O     16.955592   16.813396   17.074562     1  1796  1797
1797  1796  H     16.934425   17.751334   17.264450     2  1795
1798  1797  H     17.875915   16.626816   16.889015     2  1795
1799  1798  O    -17.034537   -5.474432   -4.150280     1  1799  1800
1800  1799  H    -16.813081   -4.638702   -4.561065     2  1798
1801  1800  H    -16.444675   -5.536314   -3.398970     2  1798
1802  1801  O     14.473670   16.845096   -4.915140     1  1802  1803
1803  1802  H     15.407963   16.701754   -4.764201     2  1801
1804  1803  H     14.109485   16.992966   -4.042365     2  1801
1805  1804  O      9.839530    5.932830  -10.236718     1  1805  1806
1806  1805  H      9.289321    5.167316  -10.070914     2  1804
1807  1806  H     10.412071    5.987128   -9.471550     2  1804
1808  1807  O     13.118280   -7.356831  -16.642605     1  1808  1809
1809  1808  H     12.631853   -7.872510  -15.999413     2  1807
1810  1809  H     12.451713   -7.047949  -17.256211     2  1807
1811  1810  O    -15.052234  -11.353045   15.902244     1  1811  1812
1812  1811  H    -15.160017  -10.419631   15.719611     2  1810
1813  1812  H    -14.143714  -11.437642   16.191496     2  1810
1814  1813  O     11.819492  -13.280654    2.452298     1  1814  1815
1815  1814  H     12.645874  -13.712569    2.668575     2  1813
1816  1815  H     11.337544  -13.928391    1.938104     2  1813
1817  1816  O     -6.147252  -11.652708    0.481507     1  1817  1818
1818  1817  H     -6.274902  -10.799752    0.896722     2  1816
1819  1818  H     -5.573421  -12.128468    1.082009     2  1816
1820  1819  O      7.194383  -12.456828    2.962593     1  1820  1821
1821  1820  H      8.008509  -12.830873    2.625665     2  1819
1822  1821  H      7.124522  -12.797905    3.854231     2  1819
1823  1822  O      3.692542    9.682332    1.948148     1  1823  1824
1824  1823  H      3.236561   10.513523    1.816104     2  1822
1825  1824  H      3.003377    9.068077    2.201079     2  1822
1826  1825  O    -15.771683   -8.515802   15.759921     1  1826  1827
1827  1826  H    -14.935730   -8.400367   15.308157     2  1825
1828  1827  H    -16.144322   -7.635211   15.803876     2  1825
1829  1828  O      7.231219  -17.631136   -5.817647     1  1829  1830
1830  1829  H      6.768198  -16.916786   -5.379985     2  1828
1831  1830  H      8.050644  -17.237754   -6.117690     2  1828
1832  1831  O    -13.776277   -6.102338   11.884368     1  1832  1833
1833  1832  H    -14.501690   -6.216894   11.270458     2  1831
1834  1833  H    -14.119016   -5.509130   12.552849     2  1831
1835  1834  O     -3.588319   16.531781    7.279114     1  1835  1836
1836  1835  H     -4.434096   16.658907    7.708919     2  1834
1837  1836  H     -2.965887   16.431004    7.999290     2  1834
1838  1837  O      4.976929   17.696481    2.484744     1  1838  1839
1839  1838  H      5.739391   17.753925    1.908911     2  1837
1840  1839  H      5.341733   17.496126    3.346723     2  1837
1841  1840  O    -15.317419  -17.860431   -5.920588     1  1841  1842
1842  1841  H    -14.964237  -17.001118   -5.690203     2  1840
1843  1842  H    -15.962796  -18.045422   -5.238312     2  1840
1844  1843  O      2.906588  -17.537084   16.173290     1  1844  1845
1845  1844  H      3.322593  -17.408887   15.320801     2  1843
1846  1845  H      2.155901  -18.102434   15.991410     2  1843
1847  1846  O      7.462997  -14.613142   13.103691     1  1847  1848
1848  1847  H      6.542511  -14.654181   13.363024     2  1846
1849  1848  H      7.508751  -13.873953   12.497275     2  1846
1850  1849  O    -17.457817   -5.911393   16.956773     1  1850  1851
1851  1850  H    -17.687927   -6.764451   17.324976     2  1849
1852  1851  H    -17.767208   -5.278809   17.605115     2  1849
1853  1852  O     10.786927   -6.147290   -5.192577     1  1853  1854
1854  1853  H     10.026686   -6.381455   -5.724961     2  1852
1855  1854  H     10.981290   -5.242372   -5.436664     2  1852
1856  1855  O      7.613338   -2.972108  -10.465124     1  1856  1857
1857  1856  H      6.830994   -3.523405  -10.480648     2  1855
1858  1857  H      7.279920   -2.086297  -10.322277     2  1855
1859  1858  O    -17.891884    1.634509   16.421731     1  1859  1860
1860  1859  H    -17.295298    0.886045   16.410790     2  1858
1861  1860  H    -17.996062    1.871855   15.500294     2  1858
1862  1861  O     -0.360826  -18.084347   14.665295     1  1862  1863
1863  1862  H     -1.275350  -18.120749   14.385023     2  1861
1864  1863  H     -0.384583  -17.620324   15.502164     2  1861
1865  1864  O     -3.444057  -17.634554   14.178923     1  1865  1866
1866  1865  H     -3.529573  -17.022848   14.910179     2  1864
1867  1866  H     -4.083594  -17.329922   13.535165     2  1864
1868  1867  O    -17.225040    2.019859    3.998221     1  1868  1869
1869  1868  H    -17.737413    2.827978    4.023696     2  1867
1870  1869  H    -17.172788    1.798035    3.068546     2  1867
1871  1870  O     -2.468325   15.971222  -13.838241     1  1871  1872
1872  1871  H     -1.824258   15.431671  -14.296821     2  1870
1873  1872  H     -3.009053   16.343544  -14.534820     2  1870
1874  1873  O    -12.652537   13.751707  -17.244527     1  1874  1875
1875  1874  H    -12.171307   14.410164  -17.745610     2  1873
1876  1875  H    -13.539076   14.105429  -17.172689     2  1873
1877  1876  O    -14.068231  -15.624500    6.623027     1  1877  1878
1878  1877  H    -14.764289  -16.271644    6.736788     2  1876
1879  1878  H    -14.470143  -14.928674    6.102907     2  1876
1880  1879  O    -11.242126   -5.854521   -1.380736     1  1880  1881
1881  1880  H    -12.124726   -5.550626   -1.168845     2  1879
1882  1881  H    -10.692264   -5.076195   -1.290765     2  1879
1883  1882  O     17.327970   -7.823187  -11.026430     1  1883  1884
1884  1883  H     16.637933   -7.459663  -11.581346     2  1882
1885  1884  H     18.143056   -7.563083  -11.455630     2  1882
1886  1885  O     16.745259   13.444704   -0.406732     1  1886  1887
1887  1886  H     16.378445   13.745132   -1.238250     2  1885
1888  1887  H     16.026664   13.534953    0.219135     2  1885
1889  1888  O    -11.749413    2.457554   -1.782002     1  1889  1890
1890  1889  H    -11.988770    3.213862   -2.317669     2  1888
1891  1890  H    -12.255899    1.733233   -2.149514     2  1888
1892  1891  O     10.823901   -4.359630   18.049679     1  1892  1893
1893  1892  H     10.771726   -4.293206   19.003145     2  1891
1894  1893  H      9.955440   -4.660381   17.782181     2  1891
1895  1894  O     -4.041536   -2.377349    1.922400     1  1895  1896
1896  1895  H     -3.803941   -2.407901    0.995659     2  1894
1897  1896  H     -4.764200   -1.751067    1.964353     2  1894
1898  1897  O      8.388168    8.592641  -17.899341     1  1898  1899
1899  1898  H      7.893919    8.512393  -18.715129     2  1897
1900  1899  H      9.278390    8.327987  -18.131066     2  1897
1901  1900  O      5.165091   10.748869    7.305291     1  1901  1902
1902  1901  H      4.214884   10.647691    7.360996     2  1900
1903  1902  H      5.382497   10.485240    6.411161     2  1900
1904  1903  O      9.484901    3.031075   15.822824     1  1904  1905
1905  1904  H      8.776906    3.672834   15.878689     2  1903
1906  1905  H      9.130579    2.245904   16.240191     2  1903
1907  1906  O      6.525340  -15.337791   -4.674662     1  1907  1908
1908  1907  H      5.885859  -14.715511   -5.021165     2  1906
1909  1908  H      6.487845  -15.217142   -3.725836     2  1906
1910  1909  O    -16.829090  -12.231700    4.539070     1  1910  1911
1911  1910  H    -17.177987  -12.797842    5.227537     2  1909
1912  1911  H    -16.371926  -12.828368    3.946432     2  1909
1913  1912  O    -17.841865   16.686142    4.519157     1  1913  1914
1914  1913  H    -18.456246   17.160029    5.079692     2  1912
1915  1914  H    -17.491535   15.993312    5.079057     2  1912
1916  1915  O    -11.446422   -1.505812  -11.040641     1  1916  1917
1917  1916  H    -11.164357   -1.005469  -11.806363     2  1915
1918  1917  H    -10.883269   -1.196534  -10.331107     2  1915
1919  1918  O     15.680634   -6.361236  -12.196250     1  1919  1920
1920  1919  H     14.749334   -6.155241  -12.115761     2  1918
1921  1920  H     15.829570   -6.434712  -13.138933     2  1918
1922  1921  O     13.202510    4.589279  -12.352838     1  1922  1923
1923  1922  H     13.874036    5.255191  -12.205029     2  1921
1924  1923  H     12.520218    5.042329  -12.848273     2  1921
1925  1924  O     16.137811   -3.815059   13.315196     1  1925  1926
1926  1925  H     15.325624   -3.554385   13.749516     2  1924
1927  1926  H     16.145316   -3.314045   12.499621     2  1924
1928  1927  O    -17.154398    2.013703  -14.569179     1  1928  1929
1929  1928  H    -18.010058    2.066828  -14.994921     2  1927
1930  1929  H    -17.156921    2.730736  -13.935074     2  1927
1931  1930  O     11.720040    2.223228  -11.379801     1  1931  1932
1932  1931  H     10.801663    2.486313  -11.439823     2  1930
1933  1932  H     12.204197    2.951297  -11.769340     2  1930
1934  1933  O     12.844319   12.962599  -12.429125     1  1934  1935
1935  1934  H     13.433990   12.257770  -12.161286     2  1933
1936  1935  H     11.981914   12.549768  -12.474508     2  1933
1937  1936  O      4.985511   -2.115982  -16.886277     1  1937  1938
1938  1937  H      4.357138   -2.837883  -16.870805     2  1936
1939  1938  H      5.786106   -2.486688  -16.514986     2  1936
1940  1939  O    -10.872399    4.219425  -17.548554     1  1940  1941
1941  1940  H    -11.448343    4.946686  -17.784376     2  1939
1942  1941  H    -11.402343    3.436067  -17.696004     2  1939
1943  1942  O     -5.922636    4.701241   15.812530     1  1943  1944
1944  1943  H     -5.882263    5.474193   15.249373     2  1942
1945  1944  H     -6.819716    4.381312   15.717015     2  1942
1946  1945  O      2.140418    7.649220    2.754121     1  1946  1947
1947  1946  H      1.401774    7.602028    3.361090     2  1945
1948  1947  H      2.706132    6.919797    3.007386     2  1945
1949  1948  O     10.105230   -7.429104  -12.607321     1  1949  1950
1950  1949  H     10.198201   -7.086188  -11.718503     2  1948
1951  1950  H     10.494182   -8.302893  -12.569338     2  1948
1952  1951  O      7.477981   10.086501    9.145221     1  1952  1953
1953  1952  H      8.016266    9.493927    8.620495     2  1951
1954  1953  H      6.727328   10.287248    8.586246     2  1951
1955  1954  O     16.086639   -7.557488   -1.259830     1  1955  1956
1956  1955  H     16.212381   -8.195195   -0.557154     2  1954
1957  1956  H     16.091566   -6.708721   -0.817335     2  1954
1958  1957  O     14.157376    9.286107    5.397310     1  1958  1959
1959  1958  H     13.491987    9.958050    5.545578     2  1957
1960  1959  H     13.937721    8.915321    4.542616     2  1957
1961  1960  O    -12.812074   -5.311499  -12.548809     1  1961  1962
1962  1961  H    -13.461928   -4.896844  -11.981374     2  1960
1963  1962  H    -12.729463   -6.202204  -12.208145     2  1960
1964  1963  O     -2.295302   -8.540712   -0.330280     1  1964  1965
1965  1964  H     -2.071716   -8.145948   -1.173135     2  1963
1966  1965  H     -1.452931   -8.794516    0.046849     2  1963
1967  1966  O    -15.698070  -10.778096   -0.417744     1  1967  1968
1968  1967  H    -15.287498  -11.611421   -0.648464     2  1966
1969  1968  H    -15.700873  -10.277869   -1.233830     2  1966
1970  1969  O     13.507261  -11.546283   15.345679     1  1970  1971
1971  1970  H     12.937396  -10.999294   15.886316     2  1969
1972  1971  H     13.221933  -11.376215   14.447961     2  1969
1973  1972  O      1.405409   -8.885374   -7.906061     1  1973  1974
1974  1973  H      0.921880   -9.711459   -7.902021     2  1972
1975  1974  H      2.249647   -9.099509   -7.509021     2  1972
1976  1975  O    -14.511288    0.812483  -14.420294     1  1976  1977
1977  1976  H    -15.339553    1.285390  -14.501341     2  1975
1978  1977  H    -13.840839    1.468006  -14.612697     2  1975
1979  1978  O      1.963779   12.053645    1.673778     1  1979  1980
1980  1979  H      1.839585   12.593500    2.454397     2  1978
1981  1980  H      1.077783   11.895851    1.347672     2  1978
1982  1981  O      5.481796    5.182861   11.954009     1  1982  1983
1983  1982  H      5.023259    4.354127   12.092482     2  1981
1984  1983  H      5.182893    5.481945   11.095267     2  1981
1985  1984  O      1.991776   13.732617   15.357267     1  1985  1986
1986  1985  H      2.359377   13.588525   16.229242     2  1984
1987  1986  H      1.946180   14.684776   15.270390     2  1984
1988  1987  O     15.603318   15.727000   14.876075     1  1988  1989
1989  1988  H     15.783025   14.846181   15.204853     2  1987
1990  1989  H     15.947328   16.310448   15.552446     2  1987
1991  1990  O     11.503287   -6.648703   15.932069     1  1991  1992
1992  1991  H     12.433222   -6.424520   15.897497     2  1990
1993  1992  H     11.144769   -6.312903   15.110524     2  1990
1994  1993  O     10.008769   -9.476356   -8.733183     1  1994  1995
1995  1994  H     10.512662  -10.010989   -8.119594     2  1993
1996  1995  H     10.410848   -8.609198   -8.682185     2  1993
1997  1996  O     11.249554    8.078889    6.274872     1  1997  1998
1998  1997  H     10.422030    8.072032    6.755902     2  1996
1999  1998  H     11.741288    8.807557    6.653650     2  1996
2000  1999  O     -3.067001  -16.140268    2.570695     1  2000  2001
2001  2000  H     -2.769608  -15.533183    3.248366     2  1999
2002  2001  H     -3.173253  -16.975299    3.026400     2  1999
2003  2002  O     17.885442   -3.546962   -2.289386     1  2003  2004
2004  2003  H     17.659474   -3.076559   -3.091814     2  2002
2005  2004  H     18.657871   -3.091954   -1.953894     2  2002
2006  2005  O      7.350902    0.695610  -13.588178     1  2006  2007
2007  2006  H      6.608958    0.731251  -12.984455     2  2005
2008  2007  H      6.952101    0.601168  -14.453205     2  2005
2009  2008  O     17.335916  -11.717286   -7.930889     1  2009  2010
2010  2009  H     16.410518  -11.814260   -8.155538     2  2008
2011  2010  H     17.717974  -11.259574   -8.679731     2  2008
2012  2011  O     15.482986   -6.294741   18.020637     1  2012  2013
2013  2012  H     14.842571   -6.839889   18.477709     2  2011
2014  2013  H     16.206848   -6.889153   17.823327     2  2011
2015  2014  O      0.156743    5.050468   10.884748     1  2015  2016
2016  2015  H     -0.242901    4.400583   10.306676     2  2014
2017  2016  H      1.096044    4.874295   10.830812     2  2014
2018  2017  O     14.123849   -3.776473  -17.984593     1  2018  2019
2019  2018  H     13.204250   -4.031502  -17.910215     2  2017
2020  2019  H     14.506598   -4.427424  -18.572810     2  2017
2021  2020  O     -4.694495   10.684680    1.996100     1  2021  2022
2022  2021  H     -3.937488   10.338797    1.523302     2  2020
2023  2022  H     -4.390731   10.779663    2.898839     2  2020
2024  2023  O    -13.963956  -13.020218    4.236902     1  2024  2025
2025  2024  H    -13.568408  -13.848730    3.966085     2  2023
2026  2025  H    -14.070539  -12.527806    3.423021     2  2023
2027  2026  O     11.631427    6.166775   -4.760163     1  2027  2028
2028  2027  H     12.135995    6.543014   -5.481334     2  2026
2029  2028  H     11.693836    5.220690   -4.891546     2  2026
2030  2029  O      2.956649   15.613897   10.191957     1  2030  2031
2031  2030  H      3.168265   14.680909   10.223320     2  2029
2032  2031  H      3.687013   16.009786    9.716486     2  2029
2033  2032  O     -2.639992  -10.087071    2.675608     1  2033  2034
2034  2033  H     -3.058195  -10.829302    2.239222     2  2032
2035  2034  H     -1.921077  -10.475664    3.173994     2  2032
2036  2035  O     -4.121985   -7.269079   -8.989897     1  2036  2037
2037  2036  H     -3.825559   -8.157841   -9.186020     2  2035
2038  2037  H     -4.066427   -6.807450   -9.826584     2  2035
2039  2038  O      3.495661   -1.314762  -10.238910     1  2039  2040
2040  2039  H      2.907118   -2.043364  -10.041455     2  2038
2041  2040  H      2.967560   -0.715997  -10.766947     2  2038
2042  2041  O     -3.749571   14.912746   -0.407061     1  2042  2043
2043  2042  H     -2.910139   15.050139    0.031925     2  2041
2044  2043  H     -4.335461   15.558483   -0.012106     2  2041
2045  2044  O    -12.718031   -3.630652    8.765857     1  2045  2046
2046  2045  H    -12.963505   -3.306325    7.899377     2  2044
2047  2046  H    -13.517286   -3.552339    9.286712     2  2044
2048  2047  O    -10.442451   -0.286893   -4.475450     1  2048  2049
2049  2048  H    -11.026488    0.308580   -4.945072     2  2047
2050  2049  H    -10.999141   -1.026434   -4.231710     2  2047
2051  2050  O     14.528658    5.099175   -1.785796     1  2051  2052
2052  2051  H     13.591426    5.044216   -1.972369     2  2050
2053  2052  H     14.939540    4.556408   -2.458710     2  2050
2054  2053  O     13.996638  -13.104990  -14.579235     1  2054  2055
2055  2054  H     14.115074  -12.882950  -15.502763     2  2053
2056  2055  H     13.725264  -14.022891  -14.585987     2  2053
2057  2056  O      5.671763   -2.352334    2.443178     1  2057  2058
2058  2057  H      5.746031   -3.305041    2.498546     2  2056
2059  2058  H      6.330310   -2.024293    3.055499     2  2056
2060  2059  O      2.881616    0.496466   -3.321656     1  2060  2061
2061  2060  H      3.029401    0.131218   -2.449310     2  2059
2062  2061  H      2.780675   -0.268464   -3.888158     2  2059
2063  2062  O      3.820306  -17.802622   -0.618460     1  2063  2064
2064  2063  H      4.235766  -16.940667   -0.592768     2  2062
2065  2064  H      3.244866  -17.814563    0.146366     2  2062
2066  2065  O     16.958518   -9.388152   -5.000225     1  2066  2067
2067  2066  H     17.132915   -9.331728   -4.060739     2  2065
2068  2067  H     17.696762   -8.936268   -5.408917     2  2065
2069  2068  O    -11.023932   -0.513862   -8.423684     1  2069  2070
2070  2069  H    -10.551358    0.296497   -8.614013     2  2068
2071  2070  H    -11.948232   -0.272495   -8.484062     2  2068
2072  2071  O     -8.463998  -17.236541  -16.999591     1  2072  2073
2073  2072  H     -8.688243  -17.925727  -16.374315     2  2071
2074  2073  H     -8.222018  -17.706154  -17.797803     2  2071
2075  2074  O      5.008075    5.265124   -2.019458     1  2075  2076
2076  2075  H      4.326508    5.346861   -2.686554     2  2074
2077  2076  H      5.356752    4.381818   -2.139577     2  2074
2078  2077  O    -12.938405   -6.661744    8.090532     1  2078  2079
2079  2078  H    -12.316856   -5.975247    7.848393     2  2077
2080  2079  H    -13.674748   -6.541164    7.490955     2  2077
2081  2080  O      5.667776   15.668022    7.497295     1  2081  2082
2082  2081  H      5.854363   14.731208    7.435674     2  2080
2083  2082  H      6.304072   15.998242    8.131578     2  2080
2084  2083  O     11.651779   -0.610966    2.235061     1  2084  2085
2085  2084  H     11.505062   -0.075517    1.455316     2  2083
2086  2085  H     11.710134   -1.506972    1.903399     2  2083
2087  2086  O      2.814482   17.286574  -10.483381     1  2087  2088
2088  2087  H      3.516646   17.605841  -11.050185     2  2086
2089  2088  H      2.738145   17.950885   -9.798475     2  2086
2090  2089  O     13.932918    1.363833  -13.905700     1  2090  2091
2091  2090  H     14.116019    0.468238  -13.621771     2  2089
2092  2091  H     13.039388    1.329373  -14.247237     2  2089
2093  2092  O     12.098874  -13.405647   -9.759117     1  2093  2094
2094  2093  H     12.007739  -13.092206  -10.658940     2  2092
2095  2094  H     12.633671  -14.196039   -9.833315     2  2092
2096  2095  O      3.552256  -10.062345   -6.389638     1  2096  2097
2097  2096  H      4.335464  -10.476506   -6.751974     2  2095
2098  2097  H      3.437544  -10.473970   -5.533110     2  2095
2099  2098  O      4.534186    2.779091  -13.995940     1  2099  2100
2100  2099  H      4.413342    3.636306  -13.587515     2  2098
2101  2100  H      5.343415    2.865294  -14.499875     2  2098
2102  2101  O     10.571733   -9.885437   11.412165     1  2102  2103
2103  2102  H     10.020519   -9.526673   12.107639     2  2101
2104  2103  H     11.360525  -10.187192   11.862702     2  2101
2105  2104  O      3.080974  -11.102886   -9.358207     1  2105  2106
2106  2105  H      3.391912  -11.841887   -8.835304     2  2104
2107  2106  H      3.743708  -10.423860   -9.231955     2  2104
2108  2107  O     -2.464847   17.440515  -17.996580     1  2108  2109
2109  2108  H     -3.161547   16.940905  -18.422293     2  2107
2110  2109  H     -2.917625   18.167576  -17.569255     2  2107
2111  2110  O     -0.935327    3.372959    8.867557     1  2111  2112
2112  2111  H     -1.000524    4.021280    8.166371     2  2110
2113  2112  H     -1.605654    2.723048    8.656582     2  2110
2114  2113  O    -13.763911   -7.707286   -1.878607     1  2114  2115
2115  2114  H    -12.862004   -7.971570   -1.697082     2  2113
2116  2115  H    -14.255040   -8.528615   -1.899682     2  2113
2117  2116  O     10.310127    5.645921    1.765889     1  2117  2118
2118  2117  H      9.882527    6.088571    2.499001     2  2116
2119  2118  H     10.860072    6.319860    1.366390     2  2116
2120  2119  O     10.932834    1.003283   12.772890     1  2120  2121
2121  2120  H     10.258326    1.510189   12.320875     2  2119
2122  2121  H     10.462975    0.547857   13.471497     2  2119
2123  2122  O    -13.297725    6.194490    3.193290     1  2123  2124
2124  2123  H    -13.470369    6.272028    2.254986     2  2122
2125  2124  H    -13.277933    7.097868    3.509119     2  2122
2126  2125  O      4.047808   -7.539984  -13.029368     1  2126  2127
2127  2126  H      4.645831   -6.843774  -13.301199     2  2125
2128  2127  H      4.189424   -8.240288  -13.666354     2  2125
2129  2128  O     -2.062550    8.050285   12.278286     1  2129  2130
2130  2129  H     -3.006143    8.206361   12.317092     2  2128
2131  2130  H     -1.812053    7.867738   13.183913     2  2128
2132  2131  O     -5.659282   -6.082583   -2.799109     1  2132  2133
2133  2132  H     -5.209911   -5.811950   -3.599769     2  2131
2134  2133  H     -5.583572   -7.036760   -2.792233     2  2131
2135  2134  O     13.520241   -7.720622   -2.444666     1  2135  2136
2136  2135  H     13.154478   -7.735962   -1.560237     2  2134
2137  2136  H     14.447272   -7.518933   -2.317518     2  2134
2138  2137  O     11.842489   -0.729235  -12.746900     1  2138  2139
2139  2138  H     12.708351   -1.130787  -12.819501     2  2137
2140  2139  H     11.901544    0.065923  -13.276493     2  2137
2141  2140  O    -10.274051  -10.306667    7.058728     1  2141  2142
2142  2141  H    -10.653374  -10.923909    6.433142     2  2140
2143  2142  H     -9.527993   -9.924552    6.596539     2  2140
2144  2143  O      0.090655   11.199325   -1.327724     1  2144  2145
2145  2144  H      0.453406   11.268944   -2.210786     2  2143
2146  2145  H     -0.282941   12.063106   -1.152960     2  2143
2147  2146  O      2.053312    6.098053  -12.365868     1  2147  2148
2148  2147  H      1.430709    5.460976  -12.716198     2  2146
2149  2148  H      2.896317    5.645035  -12.384519     2  2146
2150  2149  O      5.593235   12.696512    8.983857     1  2150  2151
2151  2150  H      5.620606   12.012573    8.314745     2  2149
2152  2151  H      4.778657   12.534301    9.459654     2  2149
2153  2152  O     10.618969  -12.941633   12.488981     1  2153  2154
2154  2153  H     11.288448  -12.345267   12.824207     2  2152
2155  2154  H     10.573808  -13.642007   13.139880     2  2152
2156  2155  O      9.088553    6.241410    7.655925     1  2156  2157
2157  2156  H      9.037555    5.290789    7.755687     2  2155
2158  2157  H      8.961600    6.582765    8.541133     2  2155
2159  2158  O     13.148872   17.887056   10.600931     1  2159  2160
2160  2159  H     13.287885   16.978581   10.333381     2  2158
2161  2160  H     12.469281   17.837932   11.273221     2  2158
2162  2161  O     -6.196919  -15.231384    5.651277     1  2162  2163
2163  2162  H     -6.882445  -15.343898    6.309781     2  2161
2164  2163  H     -5.437331  -15.685890    6.015534     2  2161
2165  2164  O     15.423891  -16.661191   -3.642203     1  2165  2166
2166  2165  H     14.921245  -15.849673   -3.571357     2  2164
2167  2166  H     16.073642  -16.482464   -4.321992     2  2164
2168  2167  O      7.771485  -12.398718   -7.548475     1  2168  2169
2169  2168  H      8.241866  -12.797019   -8.280821     2  2167
2170  2169  H      8.441798  -11.911774   -7.069102     2  2167
2171  2170  O      3.633330   -4.615637   18.076966     1  2171  2172
2172  2171  H      2.984634   -4.126716   17.570624     2  2170
2173  2172  H      4.436977   -4.553910   17.560657     2  2170
2174  2173  O    -17.209794  -11.481674   12.108289     1  2174  2175
2175  2174  H    -16.677708  -12.120354   12.582847     2  2173
2176  2175  H    -16.587395  -11.022482   11.544379     2  2173
2177  2176  O      7.679043   17.303424    4.185047     1  2177  2178
2178  2177  H      8.244206   17.493376    3.436220     2  2176
2179  2178  H      8.186941   16.693883    4.720520     2  2176
2180  2179  O      8.341006   -7.528571  -15.048116     1  2180  2181
2181  2180  H      8.343417   -8.406463  -15.429601     2  2179
2182  2181  H      8.915320   -7.596765  -14.285394     2  2179
2183  2182  O     16.375782    0.395429   -4.166122     1  2183  2184
2184  2183  H     16.502207    0.153320   -3.248717     2  2182
2185  2184  H     17.081473   -0.053000   -4.632111     2  2182
2186  2185  O      0.018596   -3.517654    1.240913     1  2186  2187
2187  2186  H     -0.529460   -4.299350    1.310330     2  2185
2188  2187  H     -0.421314   -2.866795    1.787807     2  2185
2189  2188  O      7.344872  -14.815105  -15.177021     1  2189  2190
2190  2189  H      6.705593  -14.464147  -14.557034     2  2188
2191  2190  H      7.393364  -15.748239  -14.969314     2  2188
2192  2191  O     14.652431   11.819298    3.650277     1  2192  2193
2193  2192  H     13.932780   11.803622    4.281220     2  2191
2194  2193  H     14.280776   12.235678    2.872632     2  2191
2195  2194  O     15.276610   14.788951   -2.278921     1  2195  2196
2196  2195  H     14.543445   14.507093   -1.731876     2  2194
2197  2196  H     15.217436   15.744294   -2.285919     2  2194
2198  2197  O    -11.939780    2.175032   -5.942670     1  2198  2199
2199  2198  H    -12.755912    2.538687   -5.599283     2  2197
2200  2199  H    -11.993510    2.315404   -6.887996     2  2197
2201  2200  O      7.512509    2.994423    4.935728     1  2201  2202
2202  2201  H      7.619232    3.834431    4.489375     2  2200
2203  2202  H      7.875395    3.139179    5.809565     2  2200
2204  2203  O      3.988060    8.634556   12.354614     1  2204  2205
2205  2204  H      3.781434    9.342891   12.964367     2  2203
2206  2205  H      3.693152    8.957257   11.503071     2  2203
2207  2206  O     15.835897   -3.671474  -14.561021     1  2207  2208
2208  2207  H     16.582601   -3.677363  -13.962163     2  2206
2209  2208  H     15.542928   -4.582330  -14.588270     2  2206
2210  2209  O     15.528956    2.718160    7.634146     1  2210  2211
2211  2210  H     16.119481    3.277707    8.138546     2  2209
2212  2211  H     15.673646    2.975675    6.723660     2  2209
2213  2212  O      8.639718   13.970485   13.561462     1  2213  2214
2214  2213  H      8.563884   13.213949   14.142955     2  2212
2215  2214  H      9.514727   13.893992   13.181014     2  2212
2216  2215  O      3.539705    4.079713    6.838219     1  2216  2217
2217  2216  H      4.273498    4.245928    6.246482     2  2215
2218  2217  H      2.891135    3.630695    6.296028     2  2215
2219  2218  O     12.692925  -11.714780    0.037493     1  2219  2220
2220  2219  H     12.013961  -11.052445   -0.091166     2  2218
2221  2220  H     12.464825  -12.134285    0.867083     2  2218
2222  2221  O      9.399903   -4.548504    1.336008     1  2222  2223
2223  2222  H      9.151209   -5.409900    1.000773     2  2221
2224  2223  H      9.554760   -4.690001    2.269941     2  2221
2225  2224  O      8.594395   18.072505  -16.653166     1  2225  2226
2226  2225  H      8.972371   18.746247  -17.218355     2  2224
2227  2226  H      8.520182   17.301459  -17.215494     2  2224
2228  2227  O      4.363788    3.271487    1.472432     1  2228  2229
2229  2228  H      4.404816    2.736356    2.265013     2  2227
2230  2229  H      4.895725    2.796206    0.834166     2  2227
2231  2230  O     10.773685   10.206739   11.761861     1  2231  2232
2232  2231  H     10.472423   10.073275   10.863161     2  2230
2233  2232  H     11.718181   10.056185   11.723214     2  2230
2234  2233  O     12.744073    4.189948    2.340334     1  2234  2235
2235  2234  H     12.454175    4.225656    1.428787     2  2233
2236  2235  H     13.382824    4.898720    2.416962     2  2233
2237  2236  O     11.808460   -9.300089    8.973688     1  2237  2238
2238  2237  H     11.578359   -9.565878    9.863992     2  2236
2239  2238  H     12.611323   -9.783498    8.778856     2  2236
2240  2239  O      4.765194   -9.455936  -15.212378     1  2240  2241
2241  2240  H      4.880200   -8.810474  -15.909791     2  2239
2242  2241  H      5.076327  -10.277631  -15.592177     2  2239
2243  2242  O      5.799356   -7.908088   11.967170     1  2243  2244
2244  2243  H      5.876040   -8.861281   12.009312     2  2242
2245  2244  H      6.306335   -7.593220   12.715545     2  2242
2246  2245  O      6.536450   12.419901   -3.066601     1  2246  2247
2247  2246  H      6.775497   11.798100   -2.379249     2  2245
2248  2247  H      5.590737   12.532147   -2.970363     2  2245
2249  2248  O    -17.711163   13.220483   13.241123     1  2249  2250
2250  2249  H    -18.094043   13.152499   12.366473     2  2248
2251  2250  H    -18.280722   12.686175   13.794614     2  2248
2252  2251  O     11.158214    8.774949   -9.353855     1  2252  2253
2253  2252  H     11.203974    7.822332   -9.272238     2  2251
2254  2253  H     12.066460    9.066522   -9.274448     2  2251
2255  2254  O     13.718181    9.490325   -9.390838     1  2255  2256
2256  2255  H     13.749683    9.799406  -10.296216     2  2254
2257  2256  H     14.554776    9.763841   -9.014633     2  2254
2258  2257  O    -11.294479  -13.079597   14.180906     1  2258  2259
2259  2258  H    -11.861654  -13.710476   14.624231     2  2257
2260  2259  H    -11.504237  -13.179427   13.252322     2  2257
2261  2260  O     13.888505  -17.203632    6.419528     1  2261  2262
2262  2261  H     13.535173  -18.087513    6.520245     2  2260
2263  2262  H     13.688043  -16.769139    7.248541     2  2260
2264  2263  O      2.690713   16.433176    3.401806     1  2264  2265
2265  2264  H      2.081172   16.893737    3.978499     2  2263
2266  2265  H      3.536342   16.851681    3.563041     2  2263
2267  2266  O     18.041643  -17.327183   -1.807377     1  2267  2268
2268  2267  H     17.564981  -17.039781   -1.028643     2  2266
2269  2268  H     18.485636  -16.539439   -2.121322     2  2266
2270  2269  O     11.581652  -12.425053  -12.399367     1  2270  2271
2271  2270  H     10.828504  -13.005193  -12.510897     2  2269
2272  2271  H     12.156261  -12.633440  -13.136003     2  2269
2273  2272  O      8.135522    1.403485   -3.083634     1  2273  2274
2274  2273  H      7.494914    0.697086   -3.000836     2  2272
2275  2274  H      8.980114    0.956356   -3.138146     2  2272
2276  2275  O      0.014321  -14.434129   -8.529797     1  2276  2277
2277  2276  H      0.467551  -13.788326   -9.071788     2  2275
2278  2277  H     -0.055145  -14.019415   -7.669903     2  2275
2279  2278  O      0.736553    9.263505   14.287351     1  2279  2280
2280  2279  H      0.107981    8.591500   14.551052     2  2278
2281  2280  H      1.500134    9.109392   14.843612     2  2278
2282  2281  O      4.972157  -16.991857  -18.051564     1  2282  2283
2283  2282  H      5.011280  -17.809473  -18.547756     2  2281
2284  2283  H      4.100023  -16.642013  -18.233839     2  2281
2285  2284  O     10.643350  -11.041714  -15.468797     1  2285  2286
2286  2285  H     10.840629  -11.821013  -15.988417     2  2284
2287  2286  H     11.498870  -10.719676  -15.184881     2  2284
2288  2287  O      1.389104   12.240912  -15.962538     1  2288  2289
2289  2288  H      2.296470   12.044814  -15.729161     2  2287
2290  2289  H      0.916027   11.426478  -15.791870     2  2287
2291  2290  O    -17.416217   14.258797    0.785959     1  2291  2292
2292  2291  H    -18.051803   13.898652    0.167446     2  2290
2293  2292  H    -17.443833   15.203701    0.635541     2  2290
2294  2293  O      0.010285  -16.939442  -13.998956     1  2294  2295
2295  2294  H      0.242645  -17.752617  -14.447274     2  2293
2296  2295  H      0.836755  -16.620854  -13.636076     2  2293
2297  2296  O      8.522088  -10.654487   15.627536     1  2297  2298
2298  2297  H      7.937189  -10.569450   16.380459     2  2296
2299  2298  H      9.137235  -11.343704   15.878150     2  2296
2300  2299  O    -12.199220   15.985187   17.527642     1  2300  2301
2301  2300  H    -13.076345   15.943125   17.908581     2  2299
2302  2301  H    -12.251559   16.689833   16.881912     2  2299
2303  2302  O      3.309664  -13.633646  -17.153283     1  2303  2304
2304  2303  H      2.939953  -14.195122  -17.834672     2  2302
2305  2304  H      3.613182  -12.855990  -17.621643     2  2302
2306  2305  O     13.705713   18.191438  -13.136398     1  2306  2307
2307  2306  H     13.546757   17.585210  -13.859898     2  2305
2308  2307  H     14.471628   17.833671  -12.687390     2  2305
2309  2308  O    -15.444175  -13.445704  -13.828441     1  2309  2310
2310  2309  H    -15.607192  -12.544969  -14.108323     2  2308
2311  2310  H    -14.858603  -13.360956  -13.076007     2  2308
2312  2311  O    -12.351653  -11.836892   -7.221126     1  2312  2313
2313  2312  H    -13.158046  -11.783753   -6.708156     2  2311
2314  2313  H    -11.650966  -11.719943   -6.579571     2  2311
2315  2314  O     -1.719779   -2.003200   13.048773     1  2315  2316
2316  2315  H     -1.299888   -2.009377   12.188607     2  2314
2317  2316  H     -1.171003   -1.425852   13.579572     2  2314
2318  2317  O     -3.081248  -10.169515   12.655292     1  2318  2319
2319  2318  H     -3.809395  -10.181733   12.034096     2  2317
2320  2319  H     -2.306779  -10.344636   12.120724     2  2317
2321  2320  O      4.462241   -5.276304   13.799030     1  2321  2322
2322  2321  H      4.794381   -5.812694   13.079168     2  2320
2323  2322  H      4.547864   -4.375617   13.486518     2  2320
2324  2323  O     13.767006    1.019991   -4.438269     1  2324  2325
2325  2324  H     14.606755    0.566333   -4.365824     2  2323
2326  2325  H     13.988558    1.879078   -4.797600     2  2323
2327  2326  O      8.507554   -6.152435  -17.575092     1  2327  2328
2328  2327  H      7.938309   -6.633315  -18.175881     2  2326
2329  2328  H      8.335486   -6.542033  -16.717864     2  2326
2330  2329  O      8.738174  -11.071645   -1.808991     1  2330  2331
2331  2330  H      9.452471  -10.658290   -1.324069     2  2329
2332  2331  H      8.012565  -11.104822   -1.185594     2  2329
2333  2332  O    -11.194719    7.575966  -14.725489     1  2333  2334
2334  2333  H    -11.103399    7.965703  -15.594971     2  2332
2335  2334  H    -10.311664    7.601718  -14.357002     2  2332
2336  2335  O    -16.933485   -9.388389    1.654883     1  2336  2337
2337  2336  H    -16.441541   -9.939526    1.046219     2  2335
2338  2337  H    -16.262464   -8.905808    2.137665     2  2335
2339  2338  O    -10.627807    9.119663    6.628541     1  2339  2340
2340  2339  H    -10.340796    8.948084    5.731648     2  2338
2341  2340  H     -9.841523    9.431432    7.076637     2  2338
2342  2341  O    -13.905504   -4.431951  -17.505770     1  2342  2343
2343  2342  H    -14.278347   -4.803376  -18.305310     2  2341
2344  2343  H    -13.721428   -3.519344  -17.728251     2  2341
2345  2344  O      7.771045   -5.322415   -3.288787     1  2345  2346
2346  2345  H      7.930096   -6.210332   -3.609003     2  2344
2347  2346  H      7.152366   -5.434796   -2.567094     2  2344
2348  2347  O     10.918304   15.224870  -12.805062     1  2348  2349
2349  2348  H     11.317539   14.358446  -12.883508     2  2347
2350  2349  H     10.110736   15.164085  -13.315329     2  2347
2351  2350  O     16.361242   -4.436468   -0.445441     1  2351  2352
2352  2351  H     16.906626   -3.916868   -1.036038     2  2350
2353  2352  H     15.542891   -4.564796   -0.925092     2  2350
2354  2353  O     13.653341  -11.288723   -3.731301     1  2354  2355
2355  2354  H     14.479492  -11.416098   -4.197653     2  2353
2356  2355  H     13.007533  -11.765704   -4.252506     2  2353
2357  2356  O    -17.277988  -13.205575    9.258908     1  2357  2358
2358  2357  H    -17.235708  -12.567311    9.970993     2  2356
2359  2358  H    -16.372596  -13.492412    9.139656     2  2356
2360  2359  O      8.387259   -5.045038   -7.773542     1  2360  2361
2361  2360  H      8.097616   -4.779088   -8.646245     2  2359
2362  2361  H      8.182630   -4.295797   -7.214079     2  2359
2363  2362  O      5.540363  -13.848190  -13.140676     1  2363  2364
2364  2363  H      4.997665  -13.202625  -12.687953     2  2362
2365  2364  H      5.768524  -14.486297  -12.464662     2  2362
2366  2365  O      2.482043    0.938523   14.319852     1  2366  2367
2367  2366  H      2.496118    0.225229   14.958011     2  2365
2368  2367  H      3.052095    0.638427   13.611886     2  2365
2369  2368  O     17.088428   18.028723   11.153002     1  2369  2370
2370  2369  H     17.991085   18.044932   10.834914     2  2368
2371  2370  H     16.690086   18.817461   10.784970     2  2368
2372  2371  O    -15.893969  -12.592208  -10.605762     1  2372  2373
2373  2372  H    -16.272006  -13.036527   -9.846880     2  2371
2374  2373  H    -15.011879  -12.347651  -10.325865     2  2371
2375  2374  O      4.507022   -8.351206  -10.155541     1  2375  2376
2376  2375  H      3.957321   -8.044606  -10.876692     2  2374
2377  2376  H      4.686616   -7.565148   -9.639702     2  2374
2378  2377  O      4.739021  -14.433337   13.593831     1  2378  2379
2379  2378  H      4.520304  -15.339026   13.374461     2  2377
2380  2379  H      4.089890  -14.182092   14.250898     2  2377
2381  2380  O     -1.957748   -6.042618    9.028130     1  2381  2382
2382  2381  H     -2.003416   -5.304892    9.636329     2  2380
2383  2382  H     -1.586296   -5.671280    8.227903     2  2380
2384  2383  O     -0.284805  -15.206650   13.706591     1  2384  2385
2385  2384  H     -0.304383  -15.324079   14.656359     2  2383
2386  2385  H     -0.776259  -14.399468   13.554396     2  2383
2387  2386  O      0.498533    5.662065    0.694879     1  2387  2388
2388  2387  H      1.382188    5.576680    0.336975     2  2386
2389  2388  H      0.403123    6.596695    0.878173     2  2386
2390  2389  O     16.264277   -0.494516   -1.617911     1  2390  2391
2391  2390  H     16.892636   -0.692096   -0.923389     2  2389
2392  2391  H     15.442774   -0.881771   -1.315588     2  2389
2393  2392  O      2.792643   -0.426685   -7.467642     1  2393  2394
2394  2393  H      3.742850   -0.313577   -7.490994     2  2392
2395  2394  H      2.442619    0.448588   -7.633815     2  2392
2396  2395  O      5.845602    6.588893    0.129170     1  2396  2397
2397  2396  H      5.615981    6.304329   -0.755437     2  2395
2398  2397  H      6.580602    6.028589    0.378304     2  2395
2399  2398  O      4.965387   16.736301   17.018667     1  2399  2400
2400  2399  H      5.397935   16.413557   16.228115     2  2398
2401  2400  H      4.034577   16.572808   16.866699     2  2398
2402  2401  O      7.276707  -17.456269    8.478160     1  2402  2403
2403  2402  H      7.879140  -18.184240    8.631017     2  2401
2404  2403  H      7.266951  -16.975055    9.305547     2  2401
2405  2404  O    -12.508041   -9.170562    1.574544     1  2405  2406
2406  2405  H    -12.161385   -8.775728    0.774439     2  2404
2407  2406  H    -11.778513   -9.138755    2.193423     2  2404
2408  2407  O    -14.316654   -2.783886  -12.496603     1  2408  2409
2409  2408  H    -14.086554   -3.070163  -13.380533     2  2407
2410  2409  H    -15.227505   -3.056388  -12.385577     2  2407
2411  2410  O      4.769350   -7.413361  -16.984196     1  2411  2412
2412  2411  H      4.828953   -7.093327  -17.884340     2  2410
2413  2412  H      3.985343   -6.992599  -16.631315     2  2410
2414  2413  O    -11.480398   -9.836379  -10.547057     1  2414  2415
2415  2414  H    -10.675691   -9.539861  -10.121904     2  2413
2416  2415  H    -11.196984  -10.535576  -11.136152     2  2413
2417  2416  O      8.300709   -4.909287   11.857851     1  2417  2418
2418  2417  H      9.032992   -4.975006   11.244927     2  2416
2419  2418  H      7.524004   -5.069518   11.321859     2  2416
2420  2419  O      8.735846   14.498499   -1.316711     1  2420  2421
2421  2420  H      8.901065   13.564104   -1.442567     2  2419
2422  2421  H      8.548201   14.829469   -2.195051     2  2419
2423  2422  O     -9.357291   17.300163   13.285738     1  2423  2424
2424  2423  H     -8.859861   18.047596   13.617614     2  2422
2425  2424  H    -10.271959   17.527105   13.453406     2  2422
2426  2425  O      6.549193   -0.468052    4.497440     1  2426  2427
2427  2426  H      7.492490   -0.515977    4.652773     2  2425
2428  2427  H      6.446148    0.241476    3.863260     2  2425
2429  2428  O     12.165538   -3.133140    1.024343     1  2429  2430
2430  2429  H     11.248720   -3.405781    1.061003     2  2428
2431  2430  H     12.267535   -2.750764    0.152782     2  2428
2432  2431  O      1.199608   15.531281   -0.230350     1  2432  2433
2433  2432  H      2.040279   15.476579    0.224087     2  2431
2434  2433  H      1.431859   15.625067   -1.154198     2  2431
2435  2434  O      6.805007   -1.745883   15.678818     1  2435  2436
2436  2435  H      7.145514   -2.373064   16.316729     2  2434
2437  2436  H      6.794179   -2.227051   14.851418     2  2434
2438  2437  O      7.030144   -7.491463   16.952401     1  2438  2439
2439  2438  H      6.103702   -7.273959   16.849302     2  2437
2440  2439  H      7.030412   -8.316051   17.438496     2  2437
2441  2440  O     14.015725    0.542852   17.304410     1  2441  2442
2442  2441  H     13.483011    0.026088   17.908897     2  2440
2443  2442  H     13.425125    1.226692   16.988520     2  2440
2444  2443  O      6.721421   -8.030790   -1.374838     1  2444  2445
2445  2444  H      6.334807   -8.725226   -0.841432     2  2443
2446  2445  H      6.122923   -7.935944   -2.115809     2  2443
2447  2446  O     13.567905   16.613377   -9.809999     1  2447  2448
2448  2447  H     14.481031   16.620741  -10.097018     2  2446
2449  2448  H     13.329649   15.686489   -9.791421     2  2446
2450  2449  O     13.213945    5.744315   -9.420654     1  2450  2451
2451  2450  H     12.445974    5.187541   -9.292374     2  2449
2452  2451  H     13.953930    5.137159   -9.416578     2  2449
2453  2452  O    -12.425144   -3.669788   16.158710     1  2453  2454
2454  2453  H    -12.590249   -4.458517   16.675313     2  2452
2455  2454  H    -11.809672   -3.950851   15.481635     2  2452
2456  2455  O     -1.389235  -13.900537   16.102833     1  2456  2457
2457  2456  H     -0.701911  -13.422463   16.566797     2  2455
2458  2457  H     -1.767136  -13.256521   15.503946     2  2455
2459  2458  O      4.707444  -17.169341   13.606189     1  2459  2460
2460  2459  H      5.448514  -17.576737   14.054605     2  2458
2461  2460  H      4.564475  -17.715984   12.833547     2  2458
2462  2461  O      6.074288    5.609368   -9.800187     1  2462  2463
2463  2462  H      6.388867    4.869370   -9.280883     2  2461
2464  2463  H      6.570074    6.360034   -9.473188     2  2461
2465  2464  O    -15.347152   -1.978509    8.769526     1  2465  2466
2466  2465  H    -16.227093   -2.077205    9.133112     2  2464
2467  2466  H    -15.358225   -2.502635    7.968650     2  2464
2468  2467  O      0.861736   17.637992    4.744206     1  2468  2469
2469  2468  H      0.962622   17.671345    5.695491     2  2467
2470  2469  H      0.514865   18.498661    4.509338     2  2467
2471  2470  O     13.297871  -12.536101  -17.192411     1  2471  2472
2472  2471  H     13.165646  -11.616199  -17.421601     2  2470
2473  2472  H     12.418596  -12.866140  -17.007527     2  2470
2474  2473  O      0.735388   -6.263332    5.065355     1  2474  2475
2475  2474  H      1.236636   -6.930296    4.596163     2  2473
2476  2475  H      0.856739   -5.465547    4.550530     2  2473
2477  2476  O     13.909876  -14.995139    2.625246     1  2477  2478
2478  2477  H     13.639317  -15.841277    2.981731     2  2476
2479  2478  H     14.583625  -14.684316    3.229965     2  2476
2480  2479  O      7.952674   -6.417725  -10.957154     1  2480  2481
2481  2480  H      7.702237   -6.216835  -11.858907     2  2479
2482  2481  H      8.447570   -5.650737  -10.668988     2  2479
2483  2482  O      7.435177    4.595046   15.490632     1  2483  2484
2484  2483  H      6.821053    4.782167   16.200611     2  2482
2485  2484  H      7.657956    5.454620   15.133233     2  2482
2486  2485  O     17.641024   10.604872    0.007532     1  2486  2487
2487  2486  H     17.308921   11.216237   -0.649866     2  2485
2488  2487  H     17.507572   11.054111    0.842162     2  2485
2489  2488  O      2.996657  -17.403950   -3.022397     1  2489  2490
2490  2489  H      3.097836  -17.630369   -2.097881     2  2488
2491  2490  H      3.742095  -17.820843   -3.454547     2  2488
2492  2491  O      4.364131   17.343466    5.815585     1  2492  2493
2493  2492  H      4.968884   17.089840    6.512852     2  2491
2494  2493  H      3.516486   17.428149    6.252116     2  2491
2495  2494  O     18.078628    1.662567  -10.996469     1  2495  2496
2496  2495  H     17.360419    1.405121  -10.418429     2  2494
2497  2496  H     17.652430    2.128191  -11.716041     2  2494
2498  2497  O      6.409257  -15.479296    2.920514     1  2498  2499
2499  2498  H      7.165379  -14.953522    3.181427     2  2497
2500  2499  H      6.596058  -15.736846    2.017738     2  2497
2501  2500  O     14.112619   -8.651634    2.984591     1  2501  2502
2502  2501  H     14.077681   -7.740756    3.276678     2  2500
2503  2502  H     13.200139   -8.940731    2.990540     2  2500
2504  2503  O     16.822004    6.810294    1.592509     1  2504  2505
2505  2504  H     17.600706    7.358939    1.686554     2  2503
2506  2505  H     16.840466    6.521810    0.680002     2  2503
2507  2506  O     10.379442   -2.134592    6.519395     1  2507  2508
2508  2507  H     11.021389   -2.796312    6.776810     2  2506
2509  2508  H     10.563150   -1.968936    5.594710     2  2506
2510  2509  O      4.398252  -13.593303   -5.559346     1  2510  2511
2511  2510  H      3.997480  -12.839574   -5.126325     2  2509
2512  2511  H      3.674735  -14.205334   -5.694154     2  2509
2513  2512  O     17.098172    0.006884   12.871875     1  2513  2514
2514  2513  H     16.508214   -0.527165   12.339922     2  2512
2515  2514  H     17.387798   -0.579287   13.570983     2  2512
2516  2515  O      1.132840  -14.302972  -12.073431     1  2516  2517
2517  2516  H      1.073248  -14.164739  -13.018721     2  2515
2518  2517  H      2.027627  -14.612160  -11.932042     2  2515
2519  2518  O      4.328427  -18.017374    8.754412     1  2519  2520
2520  2519  H      5.254583  -17.904663    8.540486     2  2518
2521  2520  H      4.085563  -17.207647    9.203401     2  2518
2522  2521  O     13.835782   -5.924544   -6.706410     1  2522  2523
2523  2522  H     13.172951   -5.799729   -7.385607     2  2521
2524  2523  H     14.147347   -6.820171   -6.836839     2  2521
2525  2524  O      5.188226  -11.789953    7.065286     1  2525  2526
2526  2525  H      5.764920  -12.302733    6.498970     2  2524
2527  2526  H      5.753312  -11.495162    7.779435     2  2524
2528  2527  O     -8.688869  -12.780231    1.583622     1  2528  2529
2529  2528  H     -8.734387  -12.158584    2.310062     2  2527
2530  2529  H     -8.113242  -12.360518    0.944303     2  2527
2531  2530  O     -0.912291   -0.609055   10.864748     1  2531  2532
2532  2531  H     -1.443147   -0.866926   10.111139     2  2530
2533  2532  H     -0.559700    0.248685   10.627695     2  2530
2534  2533  O     14.218065   -4.906405   -1.952309     1  2534  2535
2535  2534  H     13.416983   -5.199388   -2.386663     2  2533
2536  2535  H     14.910555   -5.064559   -2.593929     2  2533
2537  2536  O      9.492816  -13.634640   -9.251899     1  2537  2538
2538  2537  H     10.369375  -13.301769   -9.444448     2  2536
2539  2538  H      9.455324  -14.482301   -9.694955     2  2536
2540  2539  O     14.288874   17.909777  -17.073000     1  2540  2541
2541  2540  H     14.861162   17.471655  -16.443105     2  2539
2542  2541  H     13.541298   17.319720  -17.168893     2  2539
2543  2542  O     -0.646732  -17.050738   17.283809     1  2543  2544
2544  2543  H     -1.320441  -17.564602   17.729109     2  2542
2545  2544  H     -0.390914  -16.385452   17.922701     2  2542
2546  2545  O     12.056277    2.154446   15.208966     1  2546  2547
2547  2546  H     11.217212    2.510793   15.500890     2  2545
2548  2547  H     11.879647    1.811590   14.332904     2  2545
2549  2548  O     16.158463   -9.013836    1.094359     1  2549  2550
2550  2549  H     17.010507   -9.383572    1.325761     2  2548
2551  2550  H     15.645599   -9.069806    1.900628     2  2548
2552  2551  O      4.925452  -16.929888  -15.317905     1  2552  2553
2553  2552  H      5.164917  -17.003872  -16.241709     2  2551
2554  2553  H      4.392687  -16.136045  -15.270920     2  2551
2555  2554  O     12.756898   -9.392084  -14.632207     1  2555  2556
2556  2555  H     12.435272   -9.425773  -13.731289     2  2554
2557  2556  H     13.668462   -9.677937  -14.572449     2  2554
2558  2557  O      8.526525  -16.700110   16.168157     1  2558  2559
2559  2558  H      9.397313  -16.796473   16.553742     2  2557
2560  2559  H      7.999440  -16.303602   16.861840     2  2557
2561  2560  O      6.382050  -10.840836   -0.384737     1  2561  2562
2562  2561  H      6.336907  -11.017990    0.554844     2  2560
2563  2562  H      5.620817  -11.291192   -0.750711     2  2560
2564  2563  O    -11.855283    7.550141   11.092701     1  2564  2565
2565  2564  H    -12.072814    6.737676   10.635739     2  2563
2566  2565  H    -10.920260    7.674214   10.929696     2  2563
2567  2566  O      1.315742    7.144502   -1.703061     1  2567  2568
2568  2567  H      1.993870    6.509630   -1.472165     2  2566
2569  2568  H      0.780023    6.696126   -2.357429     2  2566
2570  2569  O     13.292464   -4.867161   10.079028     1  2570  2571
2571  2570  H     13.457426   -3.945812    9.878690     2  2569
2572  2571  H     13.263910   -5.297214    9.224351     2  2569
2573  2572  O      0.434588   -6.967089  -14.009317     1  2573  2574
2574  2573  H      0.556325   -6.495571  -13.185251     2  2572
2575  2574  H     -0.226327   -7.630447  -13.810876     2  2572
2576  2575  O      8.683110   -7.959131   -4.672149     1  2576  2577
2577  2576  H      8.465526   -8.845949   -4.385017     2  2575
2578  2577  H      8.188645   -7.841394   -5.483243     2  2575
2579  2578  O    -16.469134   -8.011828    8.578039     1  2579  2580
2580  2579  H    -16.464942   -8.928031    8.855145     2  2578
2581  2580  H    -15.791022   -7.961766    7.904325     2  2578
2582  2581  O      6.431467   16.273346  -10.104360     1  2582  2583
2583  2582  H      6.558980   15.746904  -10.893558     2  2581
2584  2583  H      5.665755   15.887023   -9.679304     2  2581
2585  2584  O    -16.782502   -6.406380  -11.985903     1  2585  2586
2586  2585  H    -16.222217   -6.109514  -11.268837     2  2584
2587  2586  H    -16.964062   -5.614588  -12.492197     2  2584
2588  2587  O     -0.655820   -9.862563   -3.773082     1  2588  2589
2589  2588  H     -0.622237  -10.477071   -4.506216     2  2587
2590  2589  H     -0.408836   -9.020124   -4.154561     2  2587
2591  2590  O      8.099402    1.976397    2.115376     1  2591  2592
2592  2591  H      7.711817    2.197667    2.962164     2  2590
2593  2592  H      7.375800    1.606603    1.609525     2  2590
2594  2593  O      7.135262   -3.490809  -15.764352     1  2594  2595
2595  2594  H      7.791375   -2.868748  -15.450045     2  2593
2596  2595  H      7.136341   -4.190998  -15.111691     2  2593
2597  2596  O      3.476671   -7.938642    8.499374     1  2597  2598
2598  2597  H      3.798168   -8.671535    9.024485     2  2596
2599  2598  H      2.753901   -7.575530    9.011219     2  2596
2600  2599  O      6.815737  -10.384963   17.859932     1  2600  2601
2601  2600  H      7.265226  -10.809219   18.590821     2  2599
2602  2601  H      5.960242  -10.812780   17.823422     2  2599
2603  2602  O    -17.837891  -16.140117   15.502721     1  2603  2604
2604  2603  H    -17.996637  -16.657386   16.292319     2  2602
2605  2604  H    -17.288776  -15.413813   15.797996     2  2602
2606  2605  O     -0.672149   15.598688    3.397835     1  2606  2607
2607  2606  H     -1.495826   15.511475    3.877609     2  2605
2608  2607  H     -0.227470   16.335749    3.816446     2  2605
2609  2608  O    -10.006993    1.071414    4.192830     1  2609  2610
2610  2609  H     -9.427329    1.637114    4.702934     2  2608
2611  2610  H    -10.842591    1.101411    4.658779     2  2608
2612  2611  O      3.722924  -15.154032   -0.200803     1  2612  2613
2613  2612  H      3.872380  -14.830797    0.687687     2  2611
2614  2613  H      4.214717  -14.553241   -0.760644     2  2611
2615  2614  O      0.674806   11.444254   -9.054277     1  2615  2616
2616  2615  H      0.763198   11.676686   -9.978612     2  2614
2617  2616  H      1.564530   11.502345   -8.706068     2  2614
2618  2617  O     10.439710   -6.779997   -8.169529     1  2618  2619
2619  2618  H      9.618616   -6.288189   -8.156785     2  2617
2620  2619  H     11.120700   -6.108935   -8.216007     2  2617
2621  2620  O     11.435572    1.417211   -2.809272     1  2621  2622
2622  2621  H     11.407605    2.372185   -2.868222     2  2620
2623  2622  H     12.180698    1.164827   -3.354545     2  2620
2624  2623  O      6.506744    3.726314  -15.776547     1  2624  2625
2625  2624  H      7.323307    4.225115  -15.750928     2  2623
2626  2625  H      6.169925    3.862655  -16.662096     2  2623
2627  2626  O      8.422888    0.865462   -7.762751     1  2627  2628
2628  2627  H      7.696019    1.275574   -7.294027     2  2626
2629  2628  H      9.194487    1.068505   -7.233941     2  2626
2630  2629  O     15.098348  -13.836960   14.743088     1  2630  2631
2631  2630  H     14.341196  -14.404562   14.887245     2  2629
2632  2631  H     14.788445  -12.960719   14.971988     2  2629
2633  2632  O     10.226277  -15.181954    0.755712     1  2633  2634
2634  2633  H     10.733267  -15.893563    0.364808     2  2632
2635  2634  H      9.953616  -14.644780    0.011849     2  2632
2636  2635  O     16.306280  -12.005660  -13.501330     1  2636  2637
2637  2636  H     15.513517  -12.523658  -13.640750     2  2635
2638  2637  H     16.299411  -11.803494  -12.565748     2  2635
2639  2638  O      9.497463  -16.900582    6.945387     1  2639  2640
2640  2639  H     10.093738  -17.611211    7.181387     2  2638
2641  2640  H      8.673437  -17.125237    7.377527     2  2638
2642  2641  O     15.108336  -17.938525    2.935468     1  2642  2643
2643  2642  H     15.345798  -18.337610    3.772472     2  2641
2644  2643  H     14.209185  -18.226897    2.778617     2  2641
2645  2644  O      1.135198    2.025166   -5.076216     1  2645  2646
2646  2645  H      0.567453    2.303065   -4.357419     2  2644
2647  2646  H      1.973441    1.828880   -4.657822     2  2644
2648  2647  O      5.521160    1.452048  -11.453615     1  2648  2649
2649  2648  H      5.250847    2.149227  -10.856034     2  2647
2650  2649  H      4.937259    1.541727  -12.206775     2  2647
2651  2650  O     12.331939   -8.279755   -4.889575     1  2651  2652
2652  2651  H     11.793535   -7.498168   -5.013975     2  2650
2653  2652  H     12.641687   -8.216488   -3.986090     2  2650
2654  2653  O      6.841540  -13.838718    5.408116     1  2654  2655
2655  2654  H      7.489205  -14.279022    5.958474     2  2653
2656  2655  H      6.149194  -14.488280    5.285811     2  2653
2657  2656  O    -17.780811   -9.837253    4.136928     1  2657  2658
2658  2657  H    -17.390561  -10.624525    4.516586     2  2656
2659  2658  H    -17.532224   -9.867767    3.213074     2  2656
2660  2659  O      5.007804   -6.624382    6.532681     1  2660  2661
2661  2660  H      4.239861   -7.070224    6.890062     2  2659
2662  2661  H      5.082205   -5.822532    7.050111     2  2659
2663  2662  O      2.004733   -6.671381   -9.642011     1  2663  2664
2664  2663  H      2.785141   -6.368692   -9.177710     2  2662
2665  2664  H      1.916088   -7.590207   -9.388763     2  2662
2666  2665  O      5.502483   10.442946  -17.001480     1  2666  2667
2667  2666  H      5.565412   10.517401  -17.953703     2  2665
2668  2667  H      5.285143   11.326904  -16.705485     2  2665
2669  2668  O      4.600254   -5.880643   -8.557797     1  2669  2670
2670  2669  H      5.098959   -6.237902   -7.823023     2  2668
2671  2670  H      4.835773   -4.953119   -8.579303     2  2668
2672  2671  O     10.397774   -9.525784    0.217567     1  2672  2673
2673  2672  H      9.928372   -9.628406    1.045434     2  2671
2674  2673  H     10.841232   -8.681160    0.296230     2  2671
2675  2674  O      1.009269    2.544576   -1.990051     1  2675  2676
2676  2675  H      1.483524    1.713850   -1.955280     2  2674
2677  2676  H      1.677388    3.209494   -1.823516     2  2674
2678  2677  O      7.312444   -8.736685   -8.769001     1  2678  2679
2679  2678  H      7.193413   -8.152516   -9.517874     2  2677
2680  2679  H      8.243581   -8.958094   -8.782969     2  2677
2681  2680  O     10.637772   -7.581803  -18.119169     1  2681  2682
2682  2681  H     11.124600   -7.258341  -18.877196     2  2680
2683  2682  H      9.765399   -7.199222  -18.213136     2  2680
2684  2683  O      3.978955   14.751338   -3.950840     1  2684  2685
2685  2684  H      3.089027   15.010469   -3.711861     2  2683
2686  2685  H      3.885477   14.333223   -4.806803     2  2683
2687  2686  O     14.586279   -9.243710   13.690013     1  2687  2688
2688  2687  H     15.361999   -9.745125   13.438868     2  2686
2689  2688  H     14.647853   -8.435386   13.181040     2  2686
2690  2689  O     14.513379   -3.932198    1.820435     1  2690  2691
2691  2690  H     15.156924   -4.086470    1.128855     2  2689
2692  2691  H     13.753020   -3.571299    1.364542     2  2689
2693  2692  O     13.630907  -15.585899   12.825847     1  2693  2694
2694  2693  H     14.448051  -16.035662   13.040839     2  2692
2695  2694  H     12.969929  -16.278229   12.821264     2  2692
2696  2695  O    -17.138506    2.614404   11.841965     1  2696  2697
2697  2696  H    -16.648551    2.229008   11.115572     2  2695
2698  2697  H    -17.649264    1.887917   12.199143     2  2695
2699  2698  O     11.683053   -4.005491    4.124345     1  2699  2700
2700  2699  H     11.921182   -4.768894    3.598283     2  2698
2701  2700  H     12.286701   -3.319633    3.838972     2  2698
2702  2701  O    -13.445536    6.757387   17.054280     1  2702  2703
2703  2702  H    -13.621627    7.258123   16.257733     2  2701
2704  2703  H    -13.911374    5.931057   16.926192     2  2701
2705  2704  O     16.158523    0.961046   -9.436220     1  2705  2706
2706  2705  H     16.284603    0.354513   -8.706525     2  2704
2707  2706  H     15.461607    0.565277   -9.959582     2  2704
2708  2707  O     12.866269   14.140716   -9.775588     1  2708  2709
2709  2708  H     13.331658   13.347061   -9.511474     2  2707
2710  2709  H     12.375989   13.882883  -10.556216     2  2707
2711  2710  O      4.261602   -0.922860   16.823041     1  2711  2712
2712  2711  H      4.301808   -1.372372   17.667170     2  2710
2713  2712  H      5.108217   -1.103309   16.414492     2  2710
2714  2713  O     17.972538  -15.568639   -5.117104     1  2714  2715
2715  2714  H     18.395135  -15.488215   -4.262016     2  2713
2716  2715  H     18.358875  -16.354941   -5.502727     2  2713
2717  2716  O     14.441354   -1.514162   15.281680     1  2717  2718
2718  2717  H     14.314321   -0.575132   15.417029     2  2716
2719  2718  H     13.704418   -1.923803   15.734837     2  2716
2720  2719  O      7.436564   -6.706397   13.751518     1  2720  2721
2721  2720  H      7.677740   -6.056313   13.091626     2  2719
2722  2721  H      7.552169   -6.254293   14.587264     2  2719
2723  2722  O    -18.169476  -10.063468  -16.799203     1  2723  2724
2724  2723  H    -17.512615  -10.183399  -16.113358     2  2722
2725  2724  H    -17.752448  -10.399911  -17.592377     2  2722
2726  2725  O      7.012772  -17.626564    1.029227     1  2726  2727
2727  2726  H      6.842352  -17.481924    0.098491     2  2725
2728  2727  H      7.715204  -18.276584    1.046404     2  2725
2729  2728  O      5.048022   16.202123   14.255420     1  2729  2730
2730  2729  H      4.431324   16.624673   13.657618     2  2728
2731  2730  H      5.020336   15.276320   14.013852     2  2728
2732  2731  O      4.414230   -1.326636    9.017376     1  2732  2733
2733  2732  H      4.582625   -0.828594    8.217483     2  2731
2734  2733  H      3.471375   -1.241704    9.158948     2  2731
2735  2734  O     12.226179  -12.972576   -5.741957     1  2735  2736
2736  2735  H     12.914968  -13.603480   -5.951147     2  2734
2737  2736  H     11.413852  -13.475264   -5.802472     2  2734
2738  2737  O      1.908571   -8.618712    4.189771     1  2738  2739
2739  2738  H      2.661698   -8.194843    3.778228     2  2737
2740  2739  H      2.270477   -9.054596    4.961303     2  2737
2741  2740  O      6.857319   -0.414137   -9.769611     1  2741  2742
2742  2741  H      7.641123   -0.065657   -9.344821     2  2740
2743  2742  H      6.567645    0.288116  -10.351987     2  2740
2744  2743  O     17.130258   15.098559    2.843049     1  2744  2745
2745  2744  H     17.779790   14.887833    2.172278     2  2743
2746  2745  H     17.550944   15.768020    3.382565     2  2743
2747  2746  O      8.012812    6.026011  -14.585344     1  2747  2748
2748  2747  H      7.863470    6.178490  -13.652242     2  2746
2749  2748  H      7.409011    6.623993  -15.025883     2  2746
2750  2749  O    -18.021752   -3.087073   -5.421979     1  2750  2751
2751  2750  H    -18.610788   -3.677349   -5.891918     2  2749
2752  2751  H    -18.509056   -2.266039   -5.353634     2  2749
2753  2752  O     -8.534514    6.845437   11.333311     1  2753  2754
2754  2753  H     -8.762454    7.495572   11.997842     2  2752
2755  2754  H     -7.894421    6.277763   11.762565     2  2752
2756  2755  O     16.500727   -3.888342    9.347869     1  2756  2757
2757  2756  H     16.624013   -4.090209    8.420355     2  2755
2758  2757  H     16.847714   -4.652617    9.807997     2  2755
2759  2758  O     13.581330   -4.377829   -4.609414     1  2759  2760
2760  2759  H     13.878204   -3.591412   -5.067286     2  2758
2761  2760  H     13.605786   -5.066168   -5.274112     2  2758
2762  2761  O      3.254288   -1.574726    1.594387     1  2762  2763
2763  2762  H      2.665841   -0.915726    1.962736     2  2761
2764  2763  H      4.019020   -1.562154    2.169940     2  2761
2765  2764  O    -18.100879  -15.844524   12.626651     1  2765  2766
2766  2765  H    -17.327760  -16.119250   12.133655     2  2764
2767  2766  H    -17.917214  -16.109064   13.528049     2  2764
2768  2767  O     14.067883    4.284968  -15.092269     1  2768  2769
2769  2768  H     14.892216    3.798853  -15.112243     2  2767
2770  2769  H     13.580223    3.900636  -14.363772     2  2767
2771  2770  O      4.720218   -3.123500   12.154887     1  2771  2772
2772  2771  H      4.347857   -3.667951   11.461235     2  2770
2773  2772  H      5.391782   -2.601511   11.715839     2  2770
2774  2773  O      7.736280    5.299585    3.690870     1  2774  2775
2775  2774  H      7.788851    5.075097    2.761853     2  2773
2776  2775  H      8.194152    6.137186    3.761648     2  2773
2777  2776  O      6.774793   -3.792648   17.650036     1  2777  2778
2778  2777  H      6.925273   -3.845663   18.593846     2  2776
2779  2778  H      7.393862   -4.417710   17.272831     2  2776
2780  2779  O      9.485832    6.656579   -6.857174     1  2780  2781
2781  2780  H     10.277600    6.951362   -6.407241     2  2779
2782  2781  H      8.866087    7.378129   -6.749874     2  2779
2783  2782  O     10.698718   -6.460366    3.327512     1  2783  2784
2784  2783  H     11.304583   -6.518623    2.588751     2  2782
2785  2784  H     10.710191   -7.334747    3.716818     2  2782
2786  2785  O      6.286762   -0.493463   -4.658568     1  2786  2787
2787  2786  H      5.631780   -0.999942   -4.178245     2  2785
2788  2787  H      5.889768   -0.339525   -5.515850     2  2785
2789  2788  O     11.347813    7.862956   -0.014371     1  2789  2790
2790  2789  H     11.724373    8.207872   -0.823980     2  2788
2791  2790  H     11.381595    8.597762    0.598125     2  2788
2792  2791  O      1.833333    6.114253    7.265907     1  2792  2793
2793  2792  H      2.349369    5.617145    6.631224     2  2791
2794  2793  H      2.442836    6.295645    7.981334     2  2791
2795  2794  O     16.244013    1.372065    2.661181     1  2795  2796
2796  2795  H     15.616588    1.591644    1.972446     2  2794
2797  2796  H     16.650518    2.207684    2.890802     2  2794
2798  2797  O      3.401493  -14.451275  -14.641882     1  2798  2799
2799  2798  H      3.974555  -13.772459  -14.285456     2  2797
2800  2799  H      3.190324  -14.147815  -15.524804     2  2797
2801  2800  O     -2.854411   15.215138   -9.520836     1  2801  2802
2802  2801  H     -2.777846   15.865206   -8.822421     2  2800
2803  2802  H     -3.782461   14.980890   -9.529972     2  2800
2804  2803  O     12.075349  -18.017269   -0.781521     1  2804  2805
2805  2804  H     12.499436  -18.856970   -0.958401     2  2803
2806  2805  H     12.784699  -17.376107   -0.825862     2  2803
2807  2806  O     17.531076   -7.220199   -8.195100     1  2807  2808
2808  2807  H     16.978886   -6.770829   -7.555268     2  2806
2809  2808  H     17.040154   -7.167085   -9.015104     2  2806
2810  2809  O     10.385292   -4.931631    9.824359     1  2810  2811
2811  2810  H     11.298368   -4.989729   10.105694     2  2809
2812  2811  H     10.260460   -5.691664    9.256030     2  2809
2813  2812  O     -0.657873   16.402108    9.460010     1  2813  2814
2814  2813  H      0.161140   16.814920    9.186084     2  2812
2815  2814  H     -1.219873   17.132429    9.718893     2  2812
2816  2815  O     10.438831   13.646826   -6.755853     1  2816  2817
2817  2816  H      9.960708   14.422114   -7.050062     2  2815
2818  2817  H     11.349886   13.823341   -6.990487     2  2815
2819  2818  O     17.282299   -7.908742    7.401157     1  2819  2820
2820  2819  H     18.166324   -8.019614    7.751072     2  2818
2821  2820  H     17.187139   -8.614426    6.761480     2  2818
2822  2821  O      0.563661  -17.240528   -1.714076     1  2822  2823
2823  2822  H     -0.076378  -17.785571   -2.171799     2  2821
2824  2823  H      1.381142  -17.376814   -2.193017     2  2821
2825  2824  O     16.470973    8.373172  -17.973416     1  2825  2826
2826  2825  H     17.363296    8.714185  -18.034261     2  2824
2827  2826  H     15.913497    9.149840  -18.020738     2  2824
2828  2827  O      3.508805   12.589252   10.613946     1  2828  2829
2829  2828  H      3.695268   12.778915   11.533453     2  2827
2830  2829  H      2.563625   12.440553   10.586463     2  2827
2831  2830  O      3.261816   -6.356172   -3.417500     1  2831  2832
2832  2831  H      3.942482   -7.029101   -3.407891     2  2830
2833  2832  H      3.673817   -5.592305   -3.013772     2  2830
2834  2833  O     -0.015007    8.491617    7.290503     1  2834  2835
2835  2834  H     -0.487471    8.206487    8.072622     2  2833
2836  2835  H      0.620586    7.794884    7.126743     2  2833
2837  2836  O      9.227899  -10.159264    2.622355     1  2837  2838
2838  2837  H      8.807289  -11.018921    2.604773     2  2836
2839  2838  H      8.536967   -9.559755    2.904196     2  2836
2840  2839  O     -5.332167   -8.779742   -6.119695     1  2840  2841
2841  2840  H     -5.185052   -9.023202   -5.205739     2  2839
2842  2841  H     -4.645665   -8.140822   -6.311343     2  2839
2843  2842  O    -17.590547   14.929066  -13.738440     1  2843  2844
2844  2843  H    -18.453654   14.535383  -13.866080     2  2842
2845  2844  H    -17.672487   15.428873  -12.926214     2  2842
2846  2845  O     12.852465    0.460368   -8.132949     1  2846  2847
2847  2846  H     12.960063    1.358959   -7.821199     2  2845
2848  2847  H     13.244810    0.460655   -9.006046     2  2845
2849  2848  O      3.771478   10.691881   14.358377     1  2849  2850
2850  2849  H      4.470838   10.686476   15.011905     2  2848
2851  2850  H      2.975445   10.508242   14.857218     2  2848
2852  2851  O    -14.108953  -11.385691    2.037498     1  2852  2853
2853  2852  H    -13.774093  -10.639463    1.540261     2  2851
2854  2853  H    -14.755505  -11.789257    1.458415     2  2851
2855  2854  O      2.470593   -5.363909    1.608184     1  2855  2856
2856  2855  H      1.748450   -4.747765    1.485267     2  2854
2857  2856  H      2.598312   -5.397918    2.556216     2  2854
2858  2857  O     11.984333    3.443188   -0.120198     1  2858  2859
2859  2858  H     11.988391    4.038832   -0.869480     2  2857
2860  2859  H     11.180765    2.933389   -0.223237     2  2857
2861  2860  O    -18.051875  -14.333710   -8.715754     1  2861  2862
2862  2861  H    -18.456008  -13.486677   -8.527488     2  2860
2863  2862  H    -18.118204  -14.819305   -7.893543     2  2860
2864  2863  O     -7.076107  -10.299721   -1.669208     1  2864  2865
2865  2864  H     -6.746226  -11.062945   -1.194972     2  2863
2866  2865  H     -7.734090   -9.920927   -1.086279     2  2863
2867  2866  O    -11.360783  -17.260318    9.129780     1  2867  2868
2868  2867  H    -10.533348  -17.719614    9.273419     2  2866
2869  2868  H    -11.411964  -17.149277    8.180421     2  2866
2870  2869  O      2.885719   17.316775  -15.608609     1  2870  2871
2871  2870  H      2.665551   17.826639  -16.388222     2  2869
2872  2871  H      3.180105   17.967615  -14.971445     2  2869
2873  2872  O      2.436127  -15.185112   17.254764     1  2873  2874
2874  2873  H      2.564739  -16.034354   16.832297     2  2872
2875  2874  H      2.330700  -14.569673   16.529262     2  2872
2876  2875  O    -11.261697   -8.595773   -1.059348     1  2876  2877
2877  2876  H    -10.636421   -8.863353   -1.732894     2  2875
2878  2877  H    -11.156825   -7.646306   -0.998134     2  2875
2879  2878  O      8.982832   -8.992303   13.551869     1  2879  2880
2880  2879  H      8.216524   -8.437826   13.698702     2  2878
2881  2880  H      8.812426   -9.779192   14.069556     2  2878
2882  2881  O     -0.899430   16.613347  -11.710197     1  2882  2883
2883  2882  H     -1.285116   16.560569  -12.584665     2  2881
2884  2883  H     -1.502522   16.122623  -11.151894     2  2881
2885  2884  O     12.738743    2.398546    8.196425     1  2885  2886
2886  2885  H     12.497450    2.592106    7.290586     2  2884
2887  2886  H     13.671015    2.185294    8.156116     2  2884
2888  2887  O      3.449231  -15.568814    9.714853     1  2888  2889
2889  2888  H      2.750980  -15.393673   10.345728     2  2887
2890  2889  H      4.141046  -14.948297    9.944166     2  2887
2891  2890  O     10.825576  -16.233416  -16.171964     1  2891  2892
2892  2891  H     10.002227  -16.376583  -15.705239     2  2890
2893  2892  H     11.463772  -16.050874  -15.482313     2  2890
2894  2893  O      8.026657   -9.458217  -12.814731     1  2894  2895
2895  2894  H      8.422735  -10.264647  -12.484541     2  2893
2896  2895  H      8.298636   -8.784581  -12.191454     2  2893
2897  2896  O      8.539145   -5.039883   15.944127     1  2897  2898
2898  2897  H      8.821336   -5.921933   16.186176     2  2896
2899  2898  H      9.326297   -4.624180   15.592252     2  2896
2900  2899  O    -17.450878   -7.374049    4.532644     1  2900  2901
2901  2900  H    -17.723689   -8.291305    4.511451     2  2899
2902  2901  H    -16.808399   -7.298398    3.827145     2  2899
2903  2902  O     17.941628    6.612179   -6.175616     1  2903  2904
2904  2903  H     17.168149    7.141542   -6.369879     2  2902
2905  2904  H     18.667009    7.090953   -6.576652     2  2902
2906  2905  O     -0.448242    0.004669   -7.861997     1  2906  2907
2907  2906  H      0.415458   -0.400405   -7.940546     2  2905
2908  2907  H     -1.018555   -0.538836   -8.405668     2  2905
2909  2908  O      1.390528   15.100632  -11.469824     1  2909  2910
2910  2909  H      1.752918   15.877650  -11.044206     2  2908
2911  2910  H      0.549541   15.390737  -11.823113     2  2908
2912  2911  O      6.577378   -5.113555    2.979691     1  2912  2913
2913  2912  H      6.878174   -5.854107    2.453063     2  2911
2914  2913  H      7.379212   -4.731190    3.336191     2  2911
2915  2914  O     11.314068  -10.299918    6.102204     1  2915  2916
2916  2915  H     10.368904  -10.159202    6.046554     2  2914
2917  2916  H     11.570373   -9.885093    6.925891     2  2914
2918  2917  O     15.510438  -10.632411   -1.536111     1  2918  2919
2919  2918  H     15.191801  -10.929126   -0.683666     2  2917
2920  2919  H     14.724555  -10.575771   -2.079630     2  2917
2921  2920  O      9.791062   -5.076334    6.036446     1  2921  2922
2922  2921  H     10.375465   -5.060368    5.278521     2  2920
2923  2922  H     10.282868   -5.547811    6.708808     2  2920
2924  2923  O     13.017274   12.311068    9.945629     1  2924  2925
2925  2924  H     13.801136   12.061263    9.456354     2  2923
2926  2925  H     12.777944   13.168535    9.593913     2  2923
2927  2926  O     17.479378   -4.281620  -17.577984     1  2927  2928
2928  2927  H     16.702978   -4.696203  -17.954225     2  2926
2929  2928  H     17.192963   -3.970444  -16.719282     2  2926
2930  2929  O      5.557284   -4.425583    8.118078     1  2930  2931
2931  2930  H      6.482446   -4.202195    8.016065     2  2929
2932  2931  H      5.098729   -3.588644    8.043964     2  2929
2933  2932  O      8.205550   14.071359    3.514067     1  2933  2934
2934  2933  H      7.275677   14.298383    3.508720     2  2932
2935  2934  H      8.552674   14.462418    2.712312     2  2932
2936  2935  O    -13.181053  -10.085563  -15.036458     1  2936  2937
2937  2936  H    -14.133831  -10.125940  -14.953889     2  2935
2938  2937  H    -12.990927   -9.157077  -15.170617     2  2935
2939  2938  O      6.501399    1.133414   16.811131     1  2939  2940
2940  2939  H      6.580113    1.750027   16.083240     2  2938
2941  2940  H      6.414528    0.277233   16.392037     2  2938
2942  2941  O      5.587531   10.486235    4.675445     1  2942  2943
2943  2942  H      5.284539    9.633468    4.363648     2  2941
2944  2943  H      5.129515   11.120143    4.123525     2  2941
2945  2944  O     14.722877   -8.584580   -6.392254     1  2945  2946
2946  2945  H     15.484816   -8.848612   -5.876533     2  2944
2947  2946  H     14.034574   -8.434896   -5.744129     2  2944
2948  2947  O    -10.987366   13.652591   15.443047     1  2948  2949
2949  2948  H    -11.369174   14.101169   16.197522     2  2947
2950  2949  H    -10.073808   13.938078   15.431151     2  2947
2951  2950  O     13.214245  -15.894189  -14.937624     1  2951  2952
2952  2951  H     13.052970  -16.469270  -14.189623     2  2950
2953  2952  H     13.942286  -16.305189  -15.403744     2  2950
2954  2953  O      9.466839    2.375102   -0.792113     1  2954  2955
2955  2954  H      8.963960    1.681781   -0.364736     2  2953
2956  2955  H      8.890974    2.696445   -1.485907     2  2953
2957  2956  O    -14.318387   15.185316   14.372642     1  2957  2958
2958  2957  H    -13.501791   14.873278   13.982723     2  2956
2959  2958  H    -14.929131   15.241503   13.637750     2  2956
2960  2959  O      0.872650   17.010626   -4.340330     1  2960  2961
2961  2960  H     -0.054831   16.911758   -4.555359     2  2959
2962  2961  H      1.276304   17.315101   -5.153097     2  2959
2963  2962  O     -9.296619  -15.511226    1.805421     1  2963  2964
2964  2963  H     -9.328502  -14.559089    1.712407     2  2962
2965  2964  H     -8.488525  -15.678033    2.290592     2  2962
2966  2965  O      8.402405   11.457475   15.998822     1  2966  2967
2967  2966  H      9.077466   11.056284   16.546153     2  2965
2968  2967  H      8.442119   10.972406   15.174587     2  2965
2969  2968  O    -15.475346   -5.584876   -1.854235     1  2969  2970
2970  2969  H    -15.931803   -5.751709   -1.029585     2  2968
2971  2970  H    -14.992476   -6.392680   -2.028943     2  2968
2972  2971  O     12.105626  -10.311212   -6.921080     1  2972  2973
2973  2972  H     12.246237  -11.217982   -6.648631     2  2971
2974  2973  H     12.239384   -9.797763   -6.124391     2  2971
2975  2974  O     12.392270  -18.145666    3.625363     1  2975  2976
2976  2975  H     12.391319  -18.819171    4.305527     2  2974
2977  2976  H     11.775435  -17.485173    3.940793     2  2974
2978  2977  O     10.570703  -16.918130    9.500519     1  2978  2979
2979  2978  H      9.897700  -16.581367   10.092034     2  2977
2980  2979  H     10.738069  -16.197965    8.892585     2  2977
2981  2980  O    -18.105947   -3.345869    1.150527     1  2981  2982
2982  2981  H    -18.759437   -3.908688    0.735294     2  2980
2983  2982  H    -18.021460   -3.691431    2.039167     2  2980
2984  2983  O     -8.795637  -10.045781    0.319556     1  2984  2985
2985  2984  H     -8.911068   -9.167996    0.683427     2  2983
2986  2985  H     -9.670958  -10.432412    0.343260     2  2983
2987  2986  O      8.844612   -1.457719   -5.921517     1  2987  2988
2988  2987  H      8.618071   -2.370205   -5.741847     2  2986
2989  2988  H      8.094299   -0.956725   -5.601724     2  2986
2990  2989  O      5.391214  -10.403595  -11.606846     1  2990  2991
2991  2990  H      6.142367  -10.015216  -12.055358     2  2989
2992  2991  H      5.209105   -9.805662  -10.881900     2  2989
2993  2992  O     -8.025173    2.459926    5.479566     1  2993  2994
2994  2993  H     -8.165996    3.012411    6.248437     2  2992
2995  2994  H     -8.036403    3.068901    4.741151     2  2992
2996  2995  O    -17.338615   -8.442148   13.032358     1  2996  2997
2997  2996  H    -17.519302   -8.052162   13.887634     2  2995
2998  2997  H    -16.992754   -7.720156   12.507629     2  2995
2999  2998  O     15.845385   -9.569058  -14.901640     1  2999  3000
3000  2999  H     15.907390  -10.239372  -14.221150     2  2998
3001  3000  H     16.656058   -9.659784  -15.402450     2  2998
3002  3001  O      3.529236   13.235072    6.218609     1  3002  3003
3003  3002  H      3.717769   13.270883    5.280843     2  3001
3004  3003  H      3.652715   12.315334    6.453271     2  3001
3005  3004  O      8.444855   14.635623  -14.072983     1  3005  3006
3006  3005  H      8.705902   13.792094  -14.442505     2  3004
3007  3006  H      7.775549   14.963852  -14.673423     2  3004
3008  3007  O     -0.737623    2.802940    3.527583     1  3008  3009
3009  3008  H     -1.345994    3.328685    4.046919     2  3007
3010  3009  H     -0.167565    3.444444    3.103627     2  3007
3011  3010  O      0.463311  -14.144308   -3.752129     1  3011  3012
3012  3011  H      1.415862  -14.069989   -3.694190     2  3010
3013  3012  H      0.312348  -15.016726   -4.115900     2  3010
3014  3013  O     -1.507508    6.702412  -11.711661     1  3014  3015
3015  3014  H     -1.255757    7.579729  -11.423271     2  3013
3016  3015  H     -1.534242    6.762158  -12.666621     2  3013
3017  3016  O     15.462323   -2.662816   -8.777848     1  3017  3018
3018  3017  H     14.630513   -2.453265   -9.202597     2  3016
3019  3018  H     15.825953   -3.376873   -9.301421     2  3016
3020  3019  O      1.458805   -0.705349   17.136664     1  3020  3021
3021  3020  H      2.399204   -0.866846   17.212827     2  3019
3022  3021  H      1.193176   -0.417757   18.010142     2  3019
3023  3022  O    -15.156294    5.974399   12.111772     1  3023  3024
3024  3023  H    -16.012767    5.906471   11.689788     2  3022
3025  3024  H    -14.581487    6.327446   11.432664     2  3022
3026  3025  O    -14.343979    3.723308   -5.557733     1  3026  3027
3027  3026  H    -14.789364    4.543813   -5.346461     2  3025
3028  3027  H    -14.914769    3.042009   -5.202398     2  3025
3029  3028  O    -15.225978   15.944695  -14.186809     1  3029  3030
3030  3029  H    -15.226469   16.820900  -14.572163     2  3028
3031  3030  H    -16.136809   15.792910  -13.934658     2  3028
3032  3031  O     -9.643332    2.100389   -8.871069     1  3032  3033
3033  3032  H    -10.026567    2.603287   -9.589719     2  3031
3034  3033  H     -8.698589    2.161954   -9.012144     2  3031
3035  3034  O      9.515826   11.867734    4.499701     1  3035  3036
3036  3035  H      9.111052   12.725627    4.371599     2  3034
3037  3036  H      8.972139   11.267289    3.989699     2  3034
3038  3037  O    -15.467468    7.530353   -6.988740     1  3038  3039
3039  3038  H    -15.549020    6.969860   -6.217099     2  3037
3040  3039  H    -14.784411    7.115500   -7.515582     2  3037
3041  3040  O     12.040169   15.748698  -16.193883     1  3041  3042
3042  3041  H     11.114790   15.901123  -16.002385     2  3040
3043  3042  H     12.094118   15.769530  -17.149335     2  3040
3044  3043  O     11.811107   14.513714    8.752303     1  3044  3045
3045  3044  H     12.566182   14.998912    9.084984     2  3043
3046  3045  H     11.088679   14.772097    9.324640     2  3043
3047  3046  O     12.990373   -9.960963  -17.930628     1  3047  3048
3048  3047  H     13.639695   -9.607371  -17.322691     2  3046
3049  3048  H     12.320294   -9.279913  -17.988909     2  3046
3050  3049  O      2.926663   -1.404300  -13.906478     1  3050  3051
3051  3050  H      3.705526   -1.155421  -13.408819     2  3049
3052  3051  H      3.260914   -1.950141  -14.618213     2  3049
3053  3052  O    -13.285059   12.314109  -11.659359     1  3053  3054
3054  3053  H    -13.729122   11.913341  -10.912081     2  3052
3055  3054  H    -12.411993   11.921696  -11.658403     2  3052
3056  3055  O     11.052743    8.852525  -14.307561     1  3056  3057
3057  3056  H     10.236076    9.350066  -14.265835     2  3055
3058  3057  H     10.778974    7.936913  -14.253353     2  3055
3059  3058  O     15.781195  -14.801953    0.711649     1  3059  3060
3060  3059  H     15.091338  -14.909554    1.366441     2  3058
3061  3060  H     16.503202  -15.342184    1.032725     2  3058
3062  3061  O     -3.524883    8.289904   -8.207503     1  3062  3063
3063  3062  H     -3.828419    7.741534   -8.930959     2  3061
3064  3063  H     -2.879518    7.749824   -7.751377     2  3061
3065  3064  O    -13.370774   17.191085   -7.391517     1  3065  3066
3066  3065  H    -14.085932   17.584319   -6.891368     2  3064
3067  3066  H    -13.707024   17.132844   -8.285820     2  3064
3068  3067  O     12.119616    5.035880    9.416365     1  3068  3069
3069  3068  H     11.925798    5.518630    8.612861     2  3067
3070  3069  H     12.524524    4.222290    9.115776     2  3067
3071  3070  O     -8.332157   10.976477   16.587780     1  3071  3072
3072  3071  H     -9.200474   11.143431   16.954365     2  3070
3073  3072  H     -7.803839   11.721956   16.873042     2  3070
3074  3073  O     -0.507178    7.045729   -8.062688     1  3074  3075
3075  3074  H     -1.141802    6.972128   -7.349900     2  3073
3076  3075  H     -0.397951    7.988060   -8.190413     2  3073
3077  3076  O    -14.745962  -13.530628   -0.036999     1  3077  3078
3078  3077  H    -14.898997  -14.453529    0.165651     2  3076
3079  3078  H    -13.855013  -13.506105   -0.386057     2  3076
3080  3079  O     -1.131522    4.232433   -0.784647     1  3080  3081
3081  3080  H     -0.423485    3.856532   -1.307729     2  3079
3082  3081  H     -0.719385    4.949690   -0.303068     2  3079
3083  3082  O     -3.059368   15.498604    4.690902     1  3083  3084
3084  3083  H     -3.002304   15.706880    5.623424     2  3082
3085  3084  H     -3.594148   16.200757    4.320466     2  3082
3086  3085  O     -7.607497   15.930875    8.201586     1  3086  3087
3087  3086  H     -7.572966   15.135996    8.733758     2  3085
3088  3087  H     -8.327104   15.778521    7.589061     2  3085
3089  3088  O    -10.282015    9.356065  -10.365934     1  3089  3090
3090  3089  H    -10.434118   10.130513  -10.907530     2  3088
3091  3090  H     -9.462882    8.988346  -10.697652     2  3088
3092  3091  O      9.142514   10.405610   -9.648503     1  3092  3093
3093  3092  H      9.947973    9.888534   -9.658534     2  3091
3094  3093  H      8.874901   10.415175   -8.729523     2  3091
3095  3094  O      0.403861    6.170451   -4.003243     1  3095  3096
3096  3095  H     -0.543512    6.135811   -3.870888     2  3094
3097  3096  H      0.525295    6.814195   -4.701155     2  3094
3098  3097  O     16.770542  -10.702567  -11.023763     1  3098  3099
3099  3098  H     15.948534  -10.903360  -10.576306     2  3097
3100  3099  H     16.833176   -9.747892  -10.993678     2  3097
3101  3100  O     -2.425260    0.195186   -1.262477     1  3101  3102
3102  3101  H     -2.069199    0.471395   -0.417988     2  3100
3103  3102  H     -3.098871    0.845005   -1.463018     2  3100
3104  3103  O      6.646621    2.218587   14.380711     1  3104  3105
3105  3104  H      7.085500    2.107712   13.537310     2  3103
3106  3105  H      6.933167    3.078222   14.689178     2  3103
3107  3106  O     16.808603  -13.772345   10.740471     1  3107  3108
3108  3107  H     17.047107  -12.866585   10.543123     2  3106
3109  3108  H     17.639360  -14.198982   10.950370     2  3106
3110  3109  O     -2.138026    5.557220   -3.259207     1  3110  3111
3111  3110  H     -1.817462    5.103958   -2.479447     2  3109
3112  3111  H     -2.998547    5.891230   -3.005884     2  3109
3113  3112  O      3.898555   11.415061  -12.851084     1  3113  3114
3114  3113  H      4.299556   11.506703  -11.986774     2  3112
3115  3114  H      2.972240   11.255541  -12.670180     2  3112
3116  3115  O     18.180599    7.518195   13.778200     1  3116  3117
3117  3116  H     17.343889    7.372080   14.219562     2  3115
3118  3117  H     18.325198    6.721290   13.268036     2  3115
3119  3118  O     -7.714186   12.346779   -9.980644     1  3119  3120
3120  3119  H     -8.036152   12.930331  -10.667693     2  3118
3121  3120  H     -8.506017   12.008385   -9.562643     2  3118
3122  3121  O      1.804646  -16.630386  -16.556636     1  3122  3123
3123  3122  H      2.219075  -16.070345  -15.900255     2  3121
3124  3123  H      1.548125  -16.030174  -17.256761     2  3121
3125  3124  O     -9.213723   13.832491  -12.148648     1  3125  3126
3126  3125  H     -8.494947   14.096710  -12.722913     2  3124
3127  3126  H     -9.551963   14.654600  -11.793737     2  3124
3128  3127  O      4.021167    5.773074    2.108054     1  3128  3129
3129  3128  H      4.064590    4.893593    1.732739     2  3127
3130  3129  H      4.596972    6.299401    1.553382     2  3127
3131  3130  O    -13.754319  -16.821333    2.854796     1  3131  3132
3132  3131  H    -13.180758  -16.218531    3.327966     2  3130
3133  3132  H    -13.156424  -17.397385    2.378437     2  3130
3134  3133  O     -3.818216   12.045119  -12.022027     1  3134  3135
3135  3134  H     -4.299419   11.316486  -11.629890     2  3133
3136  3135  H     -4.361553   12.322181  -12.759763     2  3133
3137  3136  O     16.425912   13.746994  -14.041905     1  3137  3138
3138  3137  H     15.535743   14.076949  -14.164223     2  3136
3139  3138  H     16.347845   12.799359  -14.152021     2  3136
3140  3139  O     10.624040    9.959766    1.883513     1  3140  3141
3141  3140  H      9.666876    9.968176    1.883931     2  3139
3142  3141  H     10.871699   10.814472    2.236183     2  3139
3143  3142  O    -17.149216    8.838594  -18.033953     1  3143  3144
3144  3143  H    -17.296054    9.784266  -18.053325     2  3142
3145  3144  H    -16.256253    8.741109  -17.703280     2  3142
3146  3145  O      8.930616   15.231467   -8.831358     1  3146  3147
3147  3146  H      8.725824   14.501730   -9.415975     2  3145
3148  3147  H      9.638523   15.701019   -9.272517     2  3145
3149  3148  O     -7.501266   13.427555  -14.908695     1  3149  3150
3150  3149  H     -8.403989   13.745159  -14.929960     2  3148
3151  3150  H     -7.117209   13.847416  -14.138987     2  3148
3152  3151  O    -13.807298    6.527066  -10.230965     1  3152  3153
3153  3152  H    -13.526243    6.031430   -9.461818     2  3151
3154  3153  H    -12.998572    6.702755  -10.711931     2  3151
3155  3154  O    -16.267756    7.238468    2.254303     1  3155  3156
3156  3155  H    -15.503338    7.706177    1.917933     2  3154
3157  3156  H    -16.263976    6.403957    1.785465     2  3154
3158  3157  O     -4.829826    7.029664   14.605733     1  3158  3159
3159  3158  H     -4.829340    7.765742   13.993833     2  3157
3160  3159  H     -5.155452    7.399850   15.426198     2  3157
3161  3160  O     12.418324   17.139637   17.100429     1  3161  3162
3162  3161  H     12.297502   16.695789   16.261004     2  3160
3163  3162  H     11.922484   17.953922   17.014899     2  3160
3164  3163  O     14.788538  -14.421552   17.847719     1  3164  3165
3165  3164  H     14.265371  -14.235715   17.067979     2  3163
3166  3165  H     14.610165  -13.688421   18.436731     2  3163
3167  3166  O    -12.615455   10.008389   15.335512     1  3167  3168
3168  3167  H    -12.783268    9.103245   15.073239     2  3166
3169  3168  H    -13.359514   10.500629   14.988657     2  3166
3170  3169  O    -10.573318    3.512846    2.581290     1  3170  3171
3171  3170  H    -10.097966    2.756560    2.925246     2  3169
3172  3171  H    -10.233489    3.626505    1.693692     2  3169
3173  3172  O     -9.987807   -3.340848   -1.026850     1  3173  3174
3174  3173  H    -10.161018   -3.108183   -0.114657     2  3172
3175  3174  H     -9.039949   -3.247779   -1.122432     2  3172
3176  3175  O     16.875106    9.193577    6.060301     1  3176  3177
3177  3176  H     15.943499    9.378253    5.940982     2  3175
3178  3177  H     17.250719    9.278297    5.183962     2  3175
3179  3178  O     -9.125052   -7.956495  -13.273975     1  3179  3180
3180  3179  H     -8.316117   -8.451310  -13.404416     2  3178
3181  3180  H     -9.554996   -7.969714  -14.129081     2  3178
3182  3181  O    -12.347790  -14.225783   16.230636     1  3182  3183
3183  3182  H    -13.164574  -13.986592   16.668681     2  3181
3184  3183  H    -11.667304  -14.054924   16.881773     2  3181
3185  3184  O      4.055563    7.154761   -9.053012     1  3185  3186
3186  3185  H      4.735652    6.845567   -9.651435     2  3184
3187  3186  H      3.357909    6.503407   -9.125465     2  3184
3188  3187  O    -12.235086  -13.909367  -14.654560     1  3188  3189
3189  3188  H    -12.760768  -13.333811  -15.210101     2  3187
3190  3189  H    -12.672748  -13.886830  -13.803574     2  3187
3191  3190  O     -7.497724    5.047449    6.844410     1  3191  3192
3192  3191  H     -7.627322    5.883623    6.396917     2  3190
3193  3192  H     -7.789912    5.207659    7.741735     2  3190
3194  3193  O     -2.791499   17.867495   -0.966395     1  3194  3195
3195  3194  H     -2.150549   17.347957   -0.481117     2  3193
3196  3195  H     -2.968291   18.619492   -0.401171     2  3193
3197  3196  O     12.372131   10.285112    7.677241     1  3197  3198
3198  3197  H     12.951367   10.628060    8.357759     2  3196
3199  3198  H     11.528368   10.704137    7.846698     2  3196
3200  3199  O     -2.840031    3.899259   -5.524945     1  3200  3201
3201  3200  H     -2.971334    3.636261   -4.613999     2  3199
3202  3201  H     -3.681200    3.727107   -5.948065     2  3199
3203  3202  O     -7.026082   -0.363749   12.763163     1  3203  3204
3204  3203  H     -7.191426    0.568756   12.902188     2  3202
3205  3204  H     -6.134107   -0.499586   13.082790     2  3202
3206  3205  O     -4.085086   11.154055    4.600816     1  3206  3207
3207  3206  H     -3.556089   10.581062    5.155860     2  3205
3208  3207  H     -3.529941   11.918515    4.447035     2  3205
3209  3208  O     13.937254    9.116686   -5.036784     1  3209  3210
3210  3209  H     13.185092    9.516304   -5.473579     2  3208
3211  3210  H     13.954549    8.217174   -5.363605     2  3208
3212  3211  O      9.198537  -17.501516  -14.238380     1  3212  3213
3213  3212  H      8.391919  -17.706067  -13.765348     2  3211
3214  3213  H      9.068047  -17.877292  -15.109010     2  3211
3215  3214  O    -12.513730    2.208945  -17.911187     1  3215  3216
3216  3215  H    -13.255554    2.681497  -17.533530     2  3214
3217  3216  H    -12.901223    1.658182  -18.591439     2  3214
3218  3217  O     -3.295638    0.158431    3.544458     1  3218  3219
3219  3218  H     -3.864072    0.820838    3.151605     2  3217
3220  3219  H     -3.768672   -0.665105    3.425043     2  3217
3221  3220  O    -18.093107  -16.215069    0.814518     1  3221  3222
3222  3221  H    -17.895878  -16.199046    1.751042     2  3220
3223  3222  H    -17.265390  -15.987531    0.391027     2  3220
3224  3223  O      6.746759    2.887721   10.140865     1  3224  3225
3225  3224  H      6.309941    3.590038    9.659020     2  3223
3226  3225  H      6.785904    2.159566    9.520792     2  3223
3227  3226  O    -16.297088    7.874149  -10.737768     1  3227  3228
3228  3227  H    -16.076564    7.757968  -11.661945     2  3226
3229  3228  H    -15.721798    7.264711  -10.275318     2  3226
3230  3229  O    -16.181774   10.562780    8.231698     1  3230  3231
3231  3230  H    -15.883024   10.371431    9.120724     2  3229
3232  3231  H    -15.382310   10.565844    7.705315     2  3229
3233  3232  O     -3.723347   11.460396   11.478107     1  3233  3234
3234  3233  H     -3.944449   10.621185   11.881929     2  3232
3235  3234  H     -4.040084   11.384460   10.578027     2  3232
3236  3235  O      2.416124    5.293659   13.693212     1  3236  3237
3237  3236  H      1.512795    4.988761   13.778453     2  3235
3238  3237  H      2.385012    5.942767   12.990414     2  3235
3239  3238  O      3.336662    4.375882   17.905745     1  3239  3240
3240  3239  H      3.339657    4.004980   17.023331     2  3238
3241  3240  H      3.487520    3.626335   18.481638     2  3238
3242  3241  O     -4.048159   -3.376329  -12.193281     1  3242  3243
3243  3242  H     -3.844079   -4.300987  -12.053314     2  3241
3244  3243  H     -4.722553   -3.379564  -12.872557     2  3241
3245  3244  O     10.862560   16.769775  -10.553779     1  3245  3246
3246  3245  H     11.775958   16.631118  -10.303356     2  3244
3247  3246  H     10.756377   16.267699  -11.361787     2  3244
3248  3247  O     -9.814108   -1.183449   15.839973     1  3248  3249
3249  3248  H     -9.762093   -1.398755   16.771193     2  3247
3250  3249  H     -9.327057   -0.363756   15.755606     2  3247
3251  3250  O      4.228468    9.083616  -14.901650     1  3251  3252
3252  3251  H      4.275631    9.952888  -15.299613     2  3250
3253  3252  H      3.929480    9.245239  -14.006822     2  3250
3254  3253  O     -5.620050   -9.505743  -11.468213     1  3254  3255
3255  3254  H     -4.676874   -9.649031  -11.546451     2  3253
3256  3255  H     -5.746512   -9.230845  -10.560099     2  3253
3257  3256  O     -3.119264   -9.827893   -9.116439     1  3257  3258
3258  3257  H     -2.251380   -9.959845   -8.734864     2  3256
3259  3258  H     -3.521231  -10.696521   -9.104570     2  3256
3260  3259  O    -13.996784    2.808274    3.316615     1  3260  3261
3261  3260  H    -14.120930    2.796519    4.265658     2  3259
3262  3261  H    -13.988177    1.884980    3.064256     2  3259
3263  3262  O     12.678302    8.886651   -2.209667     1  3263  3264
3264  3263  H     13.606900    9.082957   -2.085562     2  3262
3265  3264  H     12.541519    8.960601   -3.154153     2  3262
3266  3265  O     -1.216726   15.866915    0.846432     1  3266  3267
3267  3266  H     -0.268662   15.842295    0.716810     2  3265
3268  3267  H     -1.331626   15.787234    1.793365     2  3265
3269  3268  O    -11.959049    5.373940    9.611127     1  3269  3270
3270  3269  H    -12.169987    4.540256   10.031495     2  3268
3271  3270  H    -12.576635    5.438429    8.882661     2  3268
3272  3271  O     -7.102982    3.461829  -16.415676     1  3272  3273
3273  3272  H     -7.855793    4.020123  -16.221214     2  3271
3274  3273  H     -6.500567    3.608675  -15.686453     2  3271
3275  3274  O     15.982146   14.149456    7.488482     1  3275  3276
3276  3275  H     16.563479   14.909845    7.498115     2  3274
3277  3276  H     16.086163   13.778934    6.612054     2  3274
3278  3277  O     14.791735  -12.931068   -8.323112     1  3278  3279
3279  3278  H     13.964685  -12.924527   -8.804961     2  3277
3280  3279  H     14.663165  -13.583438   -7.634551     2  3277
3281  3280  O    -11.747235   -2.169919   11.828852     1  3281  3282
3282  3281  H    -11.645101   -2.954397   11.289969     2  3280
3283  3282  H    -10.851763   -1.879334   12.001831     2  3280
3284  3283  O     10.981286   -3.127874   -5.458805     1  3284  3285
3285  3284  H     11.810240   -2.656858   -5.543731     2  3283
3286  3285  H     10.310831   -2.448373   -5.529516     2  3283
3287  3286  O     12.285141    7.120998   11.068822     1  3287  3288
3288  3287  H     12.502249    6.462452   10.408963     2  3286
3289  3288  H     13.133139    7.427850   11.389718     2  3286
3290  3289  O    -12.467107    4.947276   -3.624753     1  3290  3291
3291  3290  H    -12.620046    4.605701   -4.505757     2  3289
3292  3291  H    -13.203189    4.618430   -3.108733     2  3289
3293  3292  O     -2.425286  -16.625405  -14.710607     1  3293  3294
3294  3293  H     -1.542053  -16.696783  -14.348615     2  3292
3295  3294  H     -2.393121  -15.849885  -15.270756     2  3292
3296  3295  O     13.392788    3.132383   -7.318303     1  3296  3297
3297  3296  H     12.790433    3.496906   -7.966781     2  3295
3298  3297  H     14.218757    3.590455   -7.473797     2  3295
3299  3298  O     -0.887295   12.480044    1.272574     1  3299  3300
3300  3299  H     -1.187677   13.069734    0.581004     2  3298
3301  3300  H     -1.456531   12.673920    2.017300     2  3298
3302  3301  O     -8.059316   10.699380   -7.257653     1  3302  3303
3303  3302  H     -8.069050    9.774603   -7.504485     2  3301
3304  3303  H     -8.981277   10.956698   -7.254710     2  3301
3305  3304  O     16.133325  -16.755863   17.798663     1  3305  3306
3306  3305  H     15.711132  -15.919012   17.604583     2  3304
3307  3306  H     15.423135  -17.396692   17.764004     2  3304
3308  3307  O     -0.291570   12.029561   15.006137     1  3308  3309
3309  3308  H      0.544634   12.435554   15.234533     2  3307
3310  3309  H     -0.054634   11.166038   14.667874     2  3307
3311  3310  O      1.347096   -3.303046   16.433947     1  3311  3312
3312  3311  H      0.789503   -3.354395   15.657618     2  3310
3313  3312  H      1.389727   -2.368695   16.637425     2  3310
3314  3313  O      0.294178    6.492445    4.804323     1  3314  3315
3315  3314  H     -0.631835    6.353773    4.605570     2  3313
3316  3315  H      0.351977    6.400026    5.755296     2  3313
3317  3316  O     14.443465    8.880867    9.815450     1  3317  3318
3318  3317  H     14.825574    8.054776    9.519142     2  3316
3319  3318  H     14.346413    9.400322    9.017339     2  3316
3320  3319  O     18.140630    5.018871  -13.427400     1  3320  3321
3321  3320  H     17.327057    4.655456  -13.077742     2  3319
3322  3321  H     17.899167    5.890776  -13.739988     2  3319
3323  3322  O     14.917474    6.584675    5.401510     1  3323  3324
3324  3323  H     14.751836    7.499780    5.628181     2  3322
3325  3324  H     14.059013    6.238736    5.157374     2  3322
3326  3325  O     -0.052955    9.947558   11.766062     1  3326  3327
3327  3326  H      0.248243    9.787480   12.660426     2  3325
3328  3327  H     -0.766928    9.323022   11.637880     2  3325
3329  3328  O     15.986493   15.826043   11.974089     1  3329  3330
3330  3329  H     15.738595   15.991901   12.883633     2  3328
3331  3330  H     16.400381   16.639627   11.685975     2  3328
3332  3331  O     -7.322695  -17.125057   14.700696     1  3332  3333
3333  3332  H     -6.492063  -17.334552   14.273618     2  3331
3334  3333  H     -7.467037  -16.199508   14.503828     2  3331
3335  3334  O     16.885884    5.737947   17.148039     1  3335  3336
3336  3335  H     16.862781    5.043480   17.806382     2  3334
3337  3336  H     16.459060    6.483354   17.570440     2  3334
3338  3337  O    -12.911888    9.769603    8.095402     1  3338  3339
3339  3338  H    -12.065017    9.417307    7.821668     2  3337
3340  3339  H    -13.536480    9.070537    7.901949     2  3337
3341  3340  O     -5.594767    7.245438  -14.101655     1  3341  3342
3342  3341  H     -4.933003    7.917661  -14.264188     2  3340
3343  3342  H     -6.114068    7.220611  -14.905361     2  3340
3344  3343  O     13.845368   15.022580  -14.050863     1  3344  3345
3345  3344  H     13.579313   14.330931  -13.445001     2  3343
3346  3345  H     13.175928   15.012972  -14.734961     2  3343
3347  3346  O     10.457410    8.890668   -4.151484     1  3347  3348
3348  3347  H     10.044180    9.395081   -3.450742     2  3346
3349  3348  H     10.233983    7.980666   -3.956012     2  3346
3350  3349  O    -10.394818   11.355209  -11.951295     1  3350  3351
3351  3350  H    -10.018671   11.138394  -12.804370     2  3349
3352  3351  H    -10.313388   12.306835  -11.887974     2  3349
3353  3352  O    -10.599414   14.078725  -14.868099     1  3353  3354
3354  3353  H    -11.204329   14.252132  -14.146823     2  3352
3355  3354  H    -11.136369   13.648336  -15.533440     2  3352
3356  3355  O    -14.166661    6.451784    0.142216     1  3356  3357
3357  3356  H    -14.107772    5.520344    0.354783     2  3355
3358  3357  H    -14.734543    6.486836   -0.627533     2  3355
3359  3358  O     -2.793794   14.015910   12.048134     1  3359  3360
3360  3359  H     -2.964531   13.151969   11.673049     2  3358
3361  3360  H     -2.836130   14.614082   11.302058     2  3358
3362  3361  O    -17.810265    3.478042  -17.827991     1  3362  3363
3363  3362  H    -17.885095    2.888312  -18.578225     2  3361
3364  3363  H    -18.646344    3.391155  -17.370109     2  3361
3365  3364  O     14.841535    6.879012   12.174081     1  3365  3366
3366  3365  H     15.056466    7.036722   13.093409     2  3364
3367  3366  H     15.490023    7.386059   11.685614     2  3364
3368  3367  O     -6.076877   -4.457720    4.604124     1  3368  3369
3369  3368  H     -5.964665   -3.540497    4.853810     2  3367
3370  3369  H     -6.417606   -4.423163    3.710288     2  3367
3371  3370  O     16.539675    3.837456   -0.090033     1  3371  3372
3372  3371  H     15.864546    3.235882    0.223881     2  3370
3373  3372  H     16.082600    4.411575   -0.704609     2  3370
3374  3373  O      4.288423    4.022065   -7.165899     1  3374  3375
3375  3374  H      4.591292    4.755774   -6.630946     2  3373
3376  3375  H      3.525661    4.363921   -7.632334     2  3373
3377  3376  O      1.520101   13.947642    3.869702     1  3377  3378
3378  3377  H      0.671797   14.334536    3.653081     2  3376
3379  3378  H      2.153014   14.644435    3.696112     2  3376
3380  3379  O     -6.244432    8.014919    4.699045     1  3380  3381
3381  3380  H     -5.481269    8.572368    4.547170     2  3379
3382  3381  H     -6.969862    8.628140    4.817129     2  3379
3383  3382  O     -2.956817   13.321476    3.070344     1  3383  3384
3384  3383  H     -2.890028   14.032071    3.708173     2  3382
3385  3384  H     -3.847953   13.389602    2.727608     2  3382
3386  3385  O     -2.339413    1.676151    7.225976     1  3386  3387
3387  3386  H     -3.174682    2.111829    7.056441     2  3385
3388  3387  H     -2.062838    1.346428    6.370978     2  3385
3389  3388  O     -3.824246   -2.025244   -0.911749     1  3389  3390
3390  3389  H     -3.930464   -2.354258   -1.804330     2  3388
3391  3390  H     -3.392153   -1.177779   -1.018192     2  3388
3392  3391  O    -12.617684  -17.695110  -14.486846     1  3392  3393
3393  3392  H    -13.239737  -17.454876  -15.173556     2  3391
3394  3393  H    -11.957556  -17.002276  -14.507930     2  3391
3395  3394  O     -6.862710  -12.549628   -7.193971     1  3395  3396
3396  3395  H     -7.040269  -13.131175   -6.454709     2  3394
3397  3396  H     -7.727336  -12.338120   -7.545992     2  3394
3398  3397  O     13.946671    0.645312  -10.730268     1  3398  3399
3399  3398  H     13.943922   -0.026366  -11.412230     2  3397
3400  3399  H     13.390564    1.342543  -11.077898     2  3397
3401  3400  O    -10.737665   -3.539158  -12.906874     1  3401  3402
3402  3401  H    -11.183806   -2.821498  -12.457257     2  3400
3403  3402  H    -11.349586   -4.273262  -12.853230     2  3400
3404  3403  O    -12.868578   -7.972470  -12.174299     1  3404  3405
3405  3404  H    -13.781782   -8.255509  -12.220988     2  3403
3406  3405  H    -12.434449   -8.647582  -11.652774     2  3403
3407  3406  O    -10.038189  -14.600688   -3.519220     1  3407  3408
3408  3407  H     -9.589686  -13.779912   -3.315741     2  3406
3409  3408  H    -10.015938  -14.655882   -4.474569     2  3406
3410  3409  O     -4.758617    8.558920   12.247097     1  3410  3411
3411  3410  H     -5.387767    9.012368   12.808156     2  3409
3412  3411  H     -5.289757    7.949305   11.734757     2  3409
3413  3412  O     -0.839899   -8.139460    6.698178     1  3413  3414
3414  3413  H     -1.649762   -7.631043    6.741396     2  3412
3415  3414  H     -0.275458   -7.641887    6.106519     2  3412
3416  3415  O     -5.470204   12.791533   17.734072     1  3416  3417
3417  3416  H     -6.053349   12.637218   18.477282     2  3415
3418  3417  H     -4.612565   12.492054   18.035735     2  3415
3419  3418  O      0.099363  -17.536173  -10.911204     1  3419  3420
3420  3419  H     -0.209324  -18.400923  -11.181669     2  3418
3421  3420  H      0.941634  -17.432688  -11.354040     2  3418
3422  3421  O      8.528526    4.038985   -6.314535     1  3422  3423
3423  3422  H      8.791684    4.957067   -6.378614     2  3421
3424  3423  H      8.720421    3.797005   -5.408524     2  3421
3425  3424  O     -5.213202    1.516984  -17.526119     1  3425  3426
3426  3425  H     -6.041881    1.705065  -17.085494     2  3424
3427  3426  H     -4.595048    2.145505  -17.153186     2  3424
3428  3427  O      3.238232   -9.723140    6.534328     1  3428  3429
3429  3428  H      3.422444   -9.238702    7.339076     2  3427
3430  3429  H      3.865103  -10.446482    6.540818     2  3427
3431  3430  O     -1.101098   -7.048046   -2.505980     1  3431  3432
3432  3431  H     -1.024415   -6.360600   -3.167622     2  3430
3433  3432  H     -0.349161   -6.911389   -1.929657     2  3430
3434  3433  O    -16.935466   -6.611837    0.070555     1  3434  3435
3435  3434  H    -16.768383   -7.397305    0.591474     2  3433
3436  3435  H    -17.759812   -6.793930   -0.380587     2  3433
3437  3436  O     -5.899150  -14.847138  -14.093433     1  3437  3438
3438  3437  H     -5.141571  -15.152468  -13.594352     2  3436
3439  3438  H     -6.654508  -15.198725  -13.622208     2  3436
3440  3439  O      4.426103   12.762679    3.600434     1  3440  3441
3441  3440  H      5.097044   13.443440    3.549092     2  3439
3442  3441  H      4.033914   12.745931    2.727428     2  3439
3443  3442  O    -10.971577   11.568734   17.732764     1  3443  3444
3444  3443  H    -11.285523   12.470995   17.672807     2  3442
3445  3444  H    -10.949984   11.261425   16.826493     2  3442
3446  3445  O     -7.879885    2.666432    1.569676     1  3446  3447
3447  3446  H     -7.014079    2.795635    1.182482     2  3445
3448  3447  H     -8.361985    2.160022    0.915946     2  3445
3449  3448  O    -12.866435   14.803821  -13.150502     1  3449  3450
3450  3449  H    -13.713503   15.063583  -13.512763     2  3448
3451  3450  H    -13.085583   14.265385  -12.390047     2  3448
3452  3451  O    -12.154451    3.361136   11.488506     1  3452  3453
3453  3452  H    -11.978847    3.867764   12.281427     2  3451
3454  3453  H    -12.301694    2.468668   11.801639     2  3451
3455  3454  O    -13.755117  -17.984656   10.528025     1  3455  3456
3456  3455  H    -13.249676  -18.478589   11.173619     2  3454
3457  3456  H    -13.096172  -17.522634   10.009797     2  3454
3458  3457  O    -17.149629  -14.946260   -2.573205     1  3458  3459
3459  3458  H    -16.212635  -14.857431   -2.398892     2  3457
3460  3459  H    -17.496923  -14.059592   -2.476054     2  3457
3461  3460  O     -3.694874   10.844282    8.782871     1  3461  3462
3462  3461  H     -2.789907   10.972756    9.067058     2  3460
3463  3462  H     -3.818427    9.895195    8.797049     2  3460
3464  3463  O      1.852679    9.211496  -12.960869     1  3464  3465
3465  3464  H      1.381575    9.356246  -12.140296     2  3463
3466  3465  H      2.280106    8.362804  -12.845711     2  3463
3467  3466  O    -10.494679    2.238058    8.543531     1  3467  3468
3468  3467  H     -9.541671    2.282403    8.621256     2  3466
3469  3468  H    -10.809167    2.231935    9.447574     2  3466
3470  3469  O     13.709943   10.376697   17.323457     1  3470  3471
3471  3470  H     13.307028   10.078480   18.138907     2  3469
3472  3471  H     14.488063   10.859190   17.602676     2  3469
3473  3472  O     10.784282    6.254132  -13.019110     1  3473  3474
3474  3473  H     10.584657    6.468452  -12.107820     2  3472
3475  3474  H     10.257604    5.476454  -13.203663     2  3472
3476  3475  O     -1.101835   15.025333   15.142305     1  3476  3477
3477  3476  H     -0.577032   14.897466   14.352075     2  3475
3478  3477  H     -1.610457   14.218750   15.225729     2  3475
3479  3478  O     16.478795    9.724905   -6.750041     1  3479  3480
3480  3479  H     15.632662    9.784355   -6.306469     2  3478
3481  3480  H     16.314449   10.069901   -7.627652     2  3478
3482  3481  O      5.456328    6.973767   13.950227     1  3482  3483
3483  3482  H      5.095344    7.629769   13.353919     2  3481
3484  3483  H      5.760379    6.269959   13.377130     2  3481
3485  3484  O    -15.863386    0.723076   10.213919     1  3485  3486
3486  3485  H    -15.394604   -0.046880    9.891980     2  3484
3487  3486  H    -16.232561    1.125381    9.427730     2  3484
3488  3487  O     11.762050    3.368216   -5.305972     1  3488  3489
3489  3488  H     11.314630    2.523265   -5.351867     2  3487
3490  3489  H     12.520540    3.269707   -5.881490     2  3487
3491  3490  O      4.099192   13.155357   13.271120     1  3491  3492
3492  3491  H      3.462371   13.715450   13.714953     2  3490
3493  3492  H      3.923540   12.277362   13.609504     2  3490
3494  3493  O    -13.132519   11.283995  -15.841249     1  3494  3495
3495  3494  H    -12.190807   11.148697  -15.946631     2  3493
3496  3495  H    -13.301063   12.130713  -16.254643     2  3493
3497  3496  O    -13.606551    3.410730  -14.719933     1  3497  3498
3498  3497  H    -13.999665    3.374465  -15.591930     2  3496
3499  3498  H    -14.338743    3.603951  -14.134447     2  3496
3500  3499  O     16.846766    9.656351    3.055269     1  3500  3501
3501  3500  H     16.436700    9.471891    2.210253     2  3499
3502  3501  H     16.268379   10.297879    3.467753     2  3499
3503  3502  O      7.628999    9.097564   -5.968097     1  3503  3504
3504  3503  H      7.821474    8.693493   -5.121981     2  3502
3505  3504  H      7.952025    9.994736   -5.884620     2  3502
3506  3505  O     11.867499    5.692005   -2.075198     1  3506  3507
3507  3506  H     11.934420    5.785584   -3.025459     2  3505
3508  3507  H     11.661293    6.572440   -1.761279     2  3505
3509  3508  O     -1.015919    8.931608   -2.290510     1  3509  3510
3510  3509  H     -0.686539    9.769342   -1.965021     2  3508
3511  3510  H     -0.228599    8.418454   -2.472256     2  3508
3512  3511  O     -5.757332   15.405793   -9.802769     1  3512  3513
3513  3512  H     -5.389390   16.172616  -10.241897     2  3511
3514  3513  H     -6.693062   15.595024   -9.733250     2  3511
3515  3514  O     -6.899809    2.303096   -9.222374     1  3515  3516
3516  3515  H     -6.233055    1.739099   -9.614265     2  3514
3517  3516  H     -6.988497    3.032123   -9.836286     2  3514
3518  3517  O     -5.969511   12.731397    5.776200     1  3518  3519
3519  3518  H     -5.201537   13.289767    5.897327     2  3517
3520  3519  H     -5.641193   11.973309    5.292731     2  3517
3521  3520  O     -2.666285    4.004131    5.256100     1  3521  3522
3522  3521  H     -2.512835    4.162823    6.187498     2  3520
3523  3522  H     -2.651950    4.874844    4.858752     2  3520
3524  3523  O     -0.862875    1.607771    0.810347     1  3524  3525
3525  3524  H     -1.018157    1.979715    1.678551     2  3523
3526  3525  H     -0.488189    2.328508    0.304006     2  3523
3527  3526  O     16.676699   -5.732850   -3.810278     1  3527  3528
3528  3527  H     17.426600   -5.924236   -4.373529     2  3526
3529  3528  H     17.042525   -5.219848   -3.089700     2  3526
3530  3529  O     -7.306568   17.056944    4.512413     1  3530  3531
3531  3530  H     -7.225069   16.403821    3.817416     2  3529
3532  3531  H     -8.024581   16.737526    5.058914     2  3529
3533  3532  O     -8.921606   -9.236589   -9.980623     1  3533  3534
3534  3533  H     -8.021054   -9.310324   -9.664709     2  3532
3535  3534  H     -8.937691   -8.414065  -10.469938     2  3532
3536  3535  O     17.773207   15.958723    8.253504     1  3536  3537
3537  3536  H     18.319690   16.195198    9.002949     2  3535
3538  3537  H     18.225602   15.217383    7.851030     2  3535
3539  3538  O      5.293272   17.383316   -3.882870     1  3539  3540
3540  3539  H      5.927214   17.198413   -4.575806     2  3538
3541  3540  H      4.681792   16.647567   -3.914455     2  3538
3542  3541  O     17.916308    1.904608   -0.974131     1  3542  3543
3543  3542  H     17.510135    2.679029   -0.584865     2  3541
3544  3543  H     17.185335    1.311016   -1.146062     2  3541
3545  3544  O      8.235742  -10.098471  -15.942539     1  3545  3546
3546  3545  H      7.895988  -10.371051  -15.090189     2  3544
3547  3546  H      9.096001  -10.513982  -16.002020     2  3544
3548  3547  O     -5.130508  -14.078225   18.003534     1  3548  3549
3549  3548  H     -5.422644  -13.169935   18.080332     2  3547
3550  3549  H     -5.680923  -14.560345   18.620653     2  3547
3551  3550  O     -3.746218  -15.777387   16.223444     1  3551  3552
3552  3551  H     -2.945427  -15.260306   16.310591     2  3550
3553  3552  H     -4.250774  -15.572935   17.010753     2  3550
3554  3553  O     -9.166017   -4.561371   -4.040708     1  3554  3555
3555  3554  H     -8.992194   -4.587567   -4.981629     2  3553
3556  3555  H     -8.686106   -3.793955   -3.729277     2  3553
3557  3556  O    -10.455551   11.834206    1.564877     1  3557  3558
3558  3557  H    -10.249904   10.923415    1.354157     2  3556
3559  3558  H    -11.280278   12.005404    1.110180     2  3556
3560  3559  O    -10.337131  -16.712697   -0.377039     1  3560  3561
3561  3560  H    -10.809553  -17.337486    0.173133     2  3559
3562  3561  H    -10.027536  -16.042556    0.232300     2  3559
3563  3562  O      9.840520  -17.092748   -2.721887     1  3563  3564
3564  3563  H     10.540542  -16.472882   -2.926749     2  3562
3565  3564  H     10.082578  -17.891553   -3.190450     2  3562
3566  3565  O     -1.136083    2.350981  -12.255656     1  3566  3567
3567  3566  H     -1.366419    2.330832  -11.326801     2  3565
3568  3567  H     -1.751118    1.744832  -12.668630     2  3565
3569  3568  O     -8.676780   15.375426   -7.281817     1  3569  3570
3570  3569  H     -8.588115   14.434477   -7.433430     2  3568
3571  3570  H     -9.593525   15.493061   -7.032873     2  3568
3572  3571  O     -0.500110    6.721717  -16.977236     1  3572  3573
3573  3572  H     -0.498399    5.861406  -17.396872     2  3571
3574  3573  H      0.399446    6.842148  -16.673054     2  3571
3575  3574  O     -5.237629    6.430122    2.643282     1  3575  3576
3576  3575  H     -5.857868    5.786073    2.301614     2  3574
3577  3576  H     -5.684637    6.818246    3.395463     2  3574
3578  3577  O      0.045330  -13.450839  -14.638985     1  3578  3579
3579  3578  H     -0.383403  -13.174062  -13.829161     2  3577
3580  3579  H     -0.069924  -12.711774  -15.236256     2  3577
3581  3580  O     -7.479269    4.854233    3.000067     1  3581  3582
3582  3581  H     -8.193306    5.487276    2.924963     2  3580
3583  3582  H     -7.769552    4.102626    2.483293     2  3580
3584  3583  O    -10.802728   -0.486835    7.944561     1  3584  3585
3585  3584  H    -10.904992    0.457642    7.827351     2  3583
3586  3585  H    -11.412110   -0.708664    8.648604     2  3583
3587  3586  O     -6.790100   -1.278970  -16.974542     1  3587  3588
3588  3587  H     -7.712796   -1.220982  -17.222537     2  3586
3589  3588  H     -6.338096   -1.513923  -17.784926     2  3586
3590  3589  O      0.440660  -14.683429    7.158783     1  3590  3591
3591  3590  H      0.057636  -14.994658    6.338623     2  3589
3592  3591  H      1.304004  -14.353075    6.910316     2  3589
3593  3592  O     -3.796401    2.724512   -1.256256     1  3593  3594
3594  3593  H     -2.993530    3.217506   -1.087179     2  3592
3595  3594  H     -4.467496    3.395097   -1.383458     2  3592
3596  3595  O     14.301778   13.119413    1.018104     1  3596  3597
3597  3596  H     13.755894   13.905687    1.022012     2  3595
3598  3597  H     13.897507   12.549838    0.363595     2  3595
3599  3598  O     -7.092775  -13.891413   -5.031631     1  3599  3600
3600  3599  H     -6.352061  -13.342552   -4.774092     2  3598
3601  3600  H     -6.952892  -14.716634   -4.567222     2  3598
3602  3601  O     10.695490  -13.532590  -16.787926     1  3602  3603
3603  3602  H      9.978915  -13.417059  -17.411950     2  3601
3604  3603  H     10.713136  -14.473749  -16.614315     2  3601
3605  3604  O     -4.464402    6.280213   -2.140815     1  3605  3606
3606  3605  H     -4.465189    6.889177   -1.402307     2  3604
3607  3606  H     -5.382703    6.221546   -2.404471     2  3604
3608  3607  O     10.708442   10.735334   16.995326     1  3608  3609
3609  3608  H     10.663081    9.834871   17.316794     2  3607
3610  3609  H     11.639224   10.884082   16.828740     2  3607
3611  3610  O    -16.473928   15.540618   12.786774     1  3611  3612
3612  3611  H    -17.057545   16.278250   12.964321     2  3610
3613  3612  H    -16.959211   14.772647   13.088357     2  3610
3614  3613  O      7.096750    8.239978   -8.832442     1  3614  3615
3615  3614  H      7.015740    8.687915   -7.990408     2  3613
3616  3615  H      7.556531    8.864667   -9.393333     2  3613
3617  3616  O    -14.731009  -16.270788   13.483882     1  3617  3618
3618  3617  H    -15.252692  -15.477946   13.608306     2  3616
3619  3618  H    -15.332101  -16.891370   13.071814     2  3616
3620  3619  O     -5.335012   13.601536    1.749966     1  3620  3621
3621  3620  H     -6.146030   13.095909    1.803113     2  3619
3622  3621  H     -5.010411   13.442045    0.863722     2  3619
3623  3622  O     13.747750   17.715300   14.200201     1  3623  3624
3624  3623  H     14.320432   18.357367   14.619746     2  3622
3625  3624  H     14.073252   16.868217   14.504720     2  3622
3626  3625  O      8.777092   15.584047  -18.030166     1  3626  3627
3627  3626  H      9.256841   14.755802  -18.039289     2  3625
3628  3627  H      8.286312   15.586173  -18.851971     2  3625
3629  3628  O     13.300613   -1.262539  -16.567878     1  3629  3630
3630  3629  H     13.510815   -2.150548  -16.856821     2  3628
3631  3630  H     14.131892   -0.910704  -16.249412     2  3628
3632  3631  O     -4.987205    3.131373  -13.995959     1  3632  3633
3633  3632  H     -4.551675    2.279071  -13.984643     2  3631
3634  3633  H     -4.279462    3.760712  -14.134758     2  3631
3635  3634  O      3.881394   15.613580    0.588406     1  3635  3636
3636  3635  H      4.372711   16.041365   -0.112907     2  3634
3637  3636  H      3.983782   16.194657    1.342130     2  3634
3638  3637  O    -14.543080  -15.429804   -7.023535     1  3638  3639
3639  3638  H    -15.064543  -15.958164   -7.627807     2  3637
3640  3639  H    -13.665789  -15.423056   -7.406350     2  3637
3641  3640  O      1.322545    0.520928  -10.923923     1  3641  3642
3642  3641  H      0.503408    0.944732  -11.180121     2  3640
3643  3642  H      1.770242    1.171320  -10.382823     2  3640
3644  3643  O     16.538768    6.999092   -1.080622     1  3644  3645
3645  3644  H     15.781298    6.809430   -1.634245     2  3643
3646  3645  H     17.231824    7.238456   -1.695936     2  3643
3647  3646  O     16.433267   13.893496   -7.154157     1  3647  3648
3648  3647  H     16.476762   13.645877   -6.230563     2  3646
3649  3648  H     16.399841   14.850067   -7.144841     2  3646
3650  3649  O    -16.962477   11.337655    3.799798     1  3650  3651
3651  3650  H    -16.404787   10.961953    4.481019     2  3649
3652  3651  H    -17.584318   10.641536    3.587748     2  3649
3653  3652  O     13.876457    8.221401   15.430154     1  3653  3654
3654  3653  H     14.079617    8.768686   16.188730     2  3652
3655  3654  H     13.024123    8.535876   15.128717     2  3652
3656  3655  O      6.392586    2.351986   -6.718307     1  3656  3657
3657  3656  H      7.118260    2.937129   -6.500963     2  3655
3658  3657  H      5.611836    2.901128   -6.646859     2  3655
3659  3658  O      4.342971    4.962341  -12.169560     1  3659  3660
3660  3659  H      5.264081    5.213985  -12.102747     2  3658
3661  3660  H      4.148759    4.538423  -11.333613     2  3658
3662  3661  O      0.880108    9.176751    0.365026     1  3662  3663
3663  3662  H      0.685790    9.992435   -0.096636     2  3661
3664  3663  H      1.384340    8.659699   -0.263177     2  3661
3665  3664  O     12.913431   10.911189  -15.110699     1  3665  3666
3666  3665  H     12.451517   11.747685  -15.166767     2  3664
3667  3666  H     12.346396   10.359579  -14.571783     2  3664
3668  3667  O     16.561204    1.934005  -15.438196     1  3668  3669
3669  3668  H     16.457383    0.988010  -15.335502     2  3667
3670  3669  H     16.180355    2.125596  -16.295214     2  3667
3671  3670  O     17.410071   10.120122    8.660746     1  3671  3672
3672  3671  H     18.338932    9.939415    8.516542     2  3670
3673  3672  H     16.985090    9.858736    7.843861     2  3670
3674  3673  O     -3.523842   13.625291   14.658309     1  3674  3675
3675  3674  H     -3.712257   14.540398   14.866426     2  3673
3676  3675  H     -3.356701   13.623023   13.715817     2  3673
3677  3676  O      9.175754    6.856377   -1.592026     1  3677  3678
3678  3677  H      9.158485    6.067321   -1.050430     2  3676
3679  3678  H      9.531291    7.534227   -1.017269     2  3676
3680  3679  O     -6.702928  -12.384648  -15.227451     1  3680  3681
3681  3680  H     -6.195019  -12.972221  -14.667970     2  3679
3682  3681  H     -6.239960  -12.391205  -16.065216     2  3679
3683  3682  O     -8.478770    3.414061   17.411791     1  3683  3684
3684  3683  H     -9.312053    3.514806   17.871924     2  3682
3685  3684  H     -7.824394    3.750756   18.023887     2  3682
3686  3685  O      1.273578   14.605456    6.933888     1  3686  3687
3687  3686  H      1.568129   15.490478    6.718925     2  3685
3688  3687  H      1.968737   14.034913    6.606068     2  3685
3689  3688  O     14.288371   10.738268  -11.712844     1  3689  3690
3690  3689  H     15.206197   11.009868  -11.720666     2  3688
3691  3690  H     14.268698    9.943608  -12.246100     2  3688
3692  3691  O     -5.158407    2.632817    7.337537     1  3692  3693
3693  3692  H     -5.139420    2.913659    8.252414     2  3691
3694  3693  H     -5.941450    3.047476    6.975411     2  3691
3695  3694  O      6.161089    1.685172   -0.036756     1  3695  3696
3696  3695  H      5.846167    2.225763   -0.761199     2  3694
3697  3696  H      6.225958    0.804149   -0.405297     2  3694
3698  3697  O      9.360585   15.233731    1.307081     1  3698  3699
3699  3698  H      8.962425   14.604096    0.706030     2  3697
3700  3699  H      9.504696   16.015888    0.774451     2  3697
3701  3700  O      3.068566  -16.567078    2.622476     1  3701  3702
3702  3701  H      2.288858  -16.941578    2.212551     2  3700
3703  3702  H      3.783522  -17.140927    2.347217     2  3700
3704  3703  O    -14.813283    9.219170    6.081420     1  3704  3705
3705  3704  H    -14.199568    9.178718    5.347969     2  3703
3706  3705  H    -15.642974    8.910401    5.717403     2  3703
3707  3706  O     -2.429730    6.927545   -6.037268     1  3707  3708
3708  3707  H     -2.581646    6.014232   -5.794342     2  3706
3709  3708  H     -2.652586    7.425357   -5.250661     2  3706
3710  3709  O     15.301590  -16.566159   10.431995     1  3710  3711
3711  3710  H     14.608046  -17.204576   10.265704     2  3709
3712  3711  H     15.023118  -16.110783   11.226551     2  3709
3713  3712  O     -5.534518   -3.306856   -9.450781     1  3713  3714
3714  3713  H     -4.901957   -3.422003  -10.159893     2  3712
3715  3714  H     -5.150774   -2.628886   -8.894606     2  3712
3716  3715  O     -8.088684    5.195552   -9.858676     1  3716  3717
3717  3716  H     -8.799014    4.963156  -10.456720     2  3715
3718  3717  H     -7.352580    5.409375  -10.431966     2  3715
3719  3718  O     10.122957   13.915896   16.174656     1  3719  3720
3720  3719  H     10.992365   13.567156   16.371488     2  3718
3721  3720  H      9.533247   13.171278   16.293059     2  3718
3722  3721  O     17.003739    3.826318    3.451926     1  3722  3723
3723  3722  H     16.256393    3.787589    4.048756     2  3721
3724  3723  H     16.854470    4.615582    2.931337     2  3721
3725  3724  O      9.875130    8.228756    9.896175     1  3725  3726
3726  3725  H     10.542977    7.770452   10.406244     2  3724
3727  3726  H      9.095410    7.678821    9.972599     2  3724
3728  3727  O     -9.146070  -11.004383    3.525396     1  3728  3729
3729  3728  H     -8.229964  -10.821440    3.733998     2  3727
3730  3729  H     -9.598200  -10.175521    3.682870     2  3727
3731  3730  O    -13.262289    6.261177  -15.692092     1  3731  3732
3732  3731  H    -13.437197    5.513903  -15.120058     2  3730
3733  3732  H    -12.459930    6.648570  -15.342266     2  3730
3734  3733  O     -6.022840    3.168631   10.140289     1  3734  3735
3735  3734  H     -5.483345    3.394267   10.898093     2  3733
3736  3735  H     -6.915369    3.388838   10.406999     2  3733
3737  3736  O     10.228231   11.810996  -12.568362     1  3737  3738
3738  3737  H      9.964543   12.102769  -13.441042     2  3736
3739  3738  H      9.641100   11.081017  -12.371788     2  3736
3740  3739  O     15.034728    6.578816  -11.323916     1  3740  3741
3741  3740  H     15.276737    7.248260  -11.963844     2  3739
3742  3741  H     14.269615    6.940096  -10.876354     2  3739
3743  3742  O      7.263225  -17.318886   -1.782190     1  3743  3744
3744  3743  H      8.032460  -17.307857   -2.351741     2  3742
3745  3744  H      6.617266  -17.837904   -2.261345     2  3742
3746  3745  O     -8.351445    3.860185   -1.963362     1  3746  3747
3747  3746  H     -8.350069    4.090276   -2.892495     2  3745
3748  3747  H     -8.108550    2.934497   -1.945004     2  3745
3749  3748  O     -5.129669    1.803789    1.045950     1  3749  3750
3750  3749  H     -4.981573    2.226238    1.892022     2  3748
3751  3750  H     -4.426506    2.133798    0.486586     2  3748
3752  3751  O     -7.339153    9.894070    2.731920     1  3752  3753
3753  3752  H     -6.483384   10.044593    2.330377     2  3751
3754  3753  H     -7.966348   10.240297    2.097109     2  3751
3755  3754  O     -0.241491   -1.447584   -2.427565     1  3755  3756
3756  3755  H     -0.713126   -0.718808   -2.024229     2  3754
3757  3756  H     -0.301240   -1.280850   -3.368236     2  3754
3758  3757  O     -3.808880    6.459230  -10.255470     1  3758  3759
3759  3758  H     -4.571941    6.182928  -10.763041     2  3757
3760  3759  H     -3.130810    6.622381  -10.911088     2  3757
3761  3760  O    -10.753609    1.772099   14.357765     1  3761  3762
3762  3761  H    -11.407247    2.005315   15.017008     2  3760
3763  3762  H     -9.932913    1.706958   14.846074     2  3760
3764  3763  O    -15.815419    7.640092   15.383231     1  3764  3765
3765  3764  H    -15.980419    6.987373   16.063647     2  3763
3766  3765  H    -16.641783    7.701429   14.904071     2  3763
3767  3766  O    -13.740255    1.814116   15.555138     1  3767  3768
3768  3767  H    -14.235755    1.779033   14.736919     2  3766
3769  3768  H    -13.370867    0.936154   15.649837     2  3766
3770  3769  O      5.960724   -6.408422  -14.766095     1  3770  3771
3771  3770  H      6.878316   -6.671287  -14.694267     2  3769
3772  3771  H      5.608876   -6.954780  -15.468895     2  3769
3773  3772  O     -4.061712    7.493225    8.861404     1  3773  3774
3774  3773  H     -4.884241    7.970496    8.970451     2  3772
3775  3774  H     -4.240741    6.862777    8.163754     2  3772
3776  3775  O      6.166374    5.985306   17.811963     1  3776  3777
3777  3776  H      5.250882    5.735573   17.937417     2  3775
3778  3777  H      6.414855    6.407382   18.634363     2  3775
3779  3778  O     15.059915    3.876781    5.180451     1  3779  3780
3780  3779  H     14.997169    4.779959    5.491199     2  3778
3781  3780  H     14.151769    3.605151    5.047332     2  3778
3782  3781  O     12.844764   -3.343758    6.857235     1  3782  3783
3783  3782  H     13.162977   -2.871218    6.088028     2  3781
3784  3783  H     13.262033   -4.203347    6.800431     2  3781
3785  3784  O      3.256753   15.376089  -13.640056     1  3785  3786
3786  3785  H      2.773085   15.769938  -14.366128     2  3784
3787  3786  H      2.597538   15.236637  -12.960187     2  3784
3788  3787  O      7.490459    6.754113    9.760602     1  3788  3789
3789  3788  H      7.123701    5.870593    9.727224     2  3787
3790  3789  H      6.940808    7.218430   10.391891     2  3787
3791  3790  O    -13.333850   -4.056249   -1.243111     1  3791  3792
3792  3791  H    -14.144644   -4.386435   -1.630181     2  3790
3793  3792  H    -12.901175   -3.586880   -1.956356     2  3790
3794  3793  O     -6.046236    5.916196  -11.846766     1  3794  3795
3795  3794  H     -6.411012    5.054085  -12.046605     2  3793
3796  3795  H     -6.032359    6.371880  -12.688427     2  3793
3797  3796  O      9.187983   17.955303   14.171768     1  3797  3798
3798  3797  H      9.543579   17.186761   14.618005     2  3796
3799  3798  H      8.685765   18.413200   14.845816     2  3796
3800  3799  O      1.004300    3.236057  -10.433671     1  3800  3801
3801  3800  H      0.289629    3.825544  -10.192874     2  3799
3802  3801  H      1.123222    3.374384  -11.373328     2  3799
3803  3802  O     10.703043   12.934700  -17.247744     1  3803  3804
3804  3803  H     11.377453   13.495335  -17.631268     2  3802
3805  3804  H     10.742494   12.127071  -17.760006     2  3802
3806  3805  O      7.982078    4.936918    0.511511     1  3806  3807
3807  3806  H      8.867106    5.123830    0.824595     2  3805
3808  3807  H      7.931074    3.981266    0.492501     2  3805
3809  3808  O     -9.880928    1.231085   11.701097     1  3809  3810
3810  3809  H     -9.839449    0.292970   11.515486     2  3808
3811  3810  H    -10.247022    1.285105   12.583871     2  3808
3812  3811  O     -0.626574    9.436682  -11.218575     1  3812  3813
3813  3812  H     -0.379171    9.860028  -10.396503     2  3811
3814  3813  H     -0.528776   10.121534  -11.880123     2  3811
3815  3814  O     13.251212    8.858673    2.762715     1  3815  3816
3816  3815  H     13.747295    9.106618    1.982550     2  3814
3817  3816  H     12.427620    9.340474    2.686584     2  3814
3818  3817  O     -0.711461    4.074122   18.014653     1  3818  3819
3819  3818  H     -0.291477    3.582719   17.308701     2  3817
3820  3819  H     -1.638450    4.091207   17.776674     2  3817
3821  3820  O      8.706402   10.258134    6.739533     1  3821  3822
3822  3821  H      9.070613   10.773736    7.459073     2  3820
3823  3822  H      8.866708   10.788573    5.959040     2  3820
3824  3823  O    -11.572257  -16.848453    6.404491     1  3824  3825
3825  3824  H    -12.478157  -16.580538    6.250221     2  3823
3826  3825  H    -11.478309  -17.667892    5.918769     2  3823
3827  3826  O     13.708379  -15.436867  -10.437816     1  3827  3828
3828  3827  H     13.385840  -15.990948  -11.148587     2  3826
3829  3828  H     14.660385  -15.449789  -10.536559     2  3826
3830  3829  O    -16.108827    1.204349   -6.924178     1  3830  3831
3831  3830  H    -16.020763    0.272061   -6.725895     2  3829
3832  3831  H    -16.826916    1.501743   -6.365485     2  3829
3833  3832  O      0.311410  -17.134467    8.710511     1  3833  3834
3834  3833  H      0.639106  -16.640144    9.461838     2  3832
3835  3834  H      0.350684  -16.516182    7.980845     2  3832
3836  3835  O      1.083088   12.821205   11.992249     1  3836  3837
3837  3836  H      0.654561   13.474104   12.545711     2  3835
3838  3837  H      0.490059   12.069937   12.004280     2  3835
3839  3838  O      2.331008    2.943157   10.812044     1  3839  3840
3840  3839  H      2.736265    3.090550    9.957483     2  3838
3841  3840  H      3.064433    2.933788   11.427050     2  3838
3842  3841  O     16.444001   10.301536   -9.345047     1  3842  3843
3843  3842  H     17.183834    9.772233   -9.047192     2  3841
3844  3843  H     16.763124   10.736696  -10.135634     2  3841
3845  3844  O    -16.138731   11.399856   -3.011961     1  3845  3846
3846  3845  H    -16.061274   11.082408   -3.911661     2  3844
3847  3846  H    -15.485180   12.096101   -2.946034     2  3844
3848  3847  O     -5.324993   -4.521708   -0.454434     1  3848  3849
3849  3848  H     -4.522062   -4.523232    0.066654     2  3847
3850  3849  H     -5.166103   -5.168430   -1.141992     2  3847
3851  3850  O     -2.860347   17.593042   -8.032924     1  3851  3852
3852  3851  H     -2.045218   18.059639   -8.217545     2  3850
3853  3852  H     -3.237511   18.055695   -7.284637     2  3850
3854  3853  O     -8.902402    3.020680   -6.327797     1  3854  3855
3855  3854  H     -9.176794    2.541274   -7.109533     2  3853
3856  3855  H     -9.709292    3.148122   -5.828879     2  3853
3857  3856  O     -2.667265    4.686506  -14.363689     1  3857  3858
3858  3857  H     -2.246085    5.512193  -14.602604     2  3856
3859  3858  H     -2.218432    4.410586  -13.564533     2  3856
3860  3859  O    -15.567913    4.223034  -13.081778     1  3860  3861
3861  3860  H    -15.341154    4.360886  -12.162098     2  3859
3862  3861  H    -16.490188    4.472178  -13.141501     2  3859
3863  3862  O     -9.492748    4.821622  -15.282616     1  3863  3864
3864  3863  H     -9.964853    4.313340  -14.623071     2  3862
3865  3864  H    -10.067349    4.813944  -16.048127     2  3862
3866  3865  O     11.369294  -16.589529  -12.488227     1  3866  3867
3867  3866  H     10.853184  -16.918018  -13.224405     2  3865
3868  3867  H     11.944576  -17.317976  -12.254461     2  3865
3869  3868  O     -8.421650   -0.077616  -14.836175     1  3869  3870
3870  3869  H     -7.711199   -0.214002  -15.462984     2  3868
3871  3870  H     -8.807599    0.760870  -15.089587     2  3868
3872  3871  O    -10.668862   12.231259    5.677255     1  3872  3873
3873  3872  H    -10.697616   11.301721    5.450619     2  3871
3874  3873  H    -11.414137   12.358303    6.264331     2  3871
3875  3874  O     12.610767   14.264705   17.883046     1  3875  3876
3876  3875  H     13.401857   14.137960   18.406825     2  3874
3877  3876  H     12.775428   15.068659   17.390320     2  3874
3878  3877  O     17.663424  -13.466522   14.315030     1  3878  3879
3879  3878  H     17.558328  -13.930787   13.484581     2  3877
3880  3879  H     16.836200  -13.607940   14.775393     2  3877
3881  3880  O    -14.674965  -13.638930    9.323983     1  3881  3882
3882  3881  H    -14.697374  -13.491341   10.269471     2  3880
3883  3882  H    -13.747949  -13.767384    9.123047     2  3880
3884  3883  O    -17.604990    4.274488   -3.688352     1  3884  3885
3885  3884  H    -17.660867    4.228369   -4.642806     2  3883
3886  3885  H    -17.036097    3.543938   -3.445680     2  3883
3887  3886  O      8.148783    1.617874   12.062566     1  3887  3888
3888  3887  H      8.015892    1.454063   11.128897     2  3886
3889  3888  H      8.313322    2.559073   12.120049     2  3886
3890  3889  O     -9.850619    6.343818    2.505771     1  3890  3891
3891  3890  H    -10.041692    6.695852    1.636406     2  3889
3892  3891  H    -10.522907    5.677444    2.647926     2  3889
3893  3892  O     -1.086953    4.907156   -9.642894     1  3893  3894
3894  3893  H     -1.117432    5.639447   -9.027220     2  3892
3895  3894  H     -1.421337    5.269378  -10.463391     2  3892
3896  3895  O    -15.522045    5.956504   -4.573129     1  3896  3897
3897  3896  H    -16.038291    5.595735   -3.852317     2  3895
3898  3897  H    -15.232541    6.812081   -4.256256     2  3895
3899  3898  O     -6.819788    3.694970   -4.716044     1  3899  3900
3900  3899  H     -6.139817    3.021269   -4.716837     2  3898
3901  3900  H     -7.436775    3.414012   -5.391782     2  3898
3902  3901  O     -9.329669   -2.046073  -18.012437     1  3902  3903
3903  3902  H     -9.931367   -2.161722  -17.277035     2  3901
3904  3903  H     -9.225001   -2.924774  -18.377350     2  3901
3905  3904  O     -0.260767   -0.761940   -4.852645     1  3905  3906
3906  3905  H     -0.694175   -0.783043   -5.705842     2  3904
3907  3906  H      0.068151    0.133406   -4.772635     2  3904
3908  3907  O     -2.943876  -14.470386  -16.809781     1  3908  3909
3909  3908  H     -2.737691  -13.607560  -16.450266     2  3907
3910  3909  H     -3.755733  -14.338595  -17.299426     2  3907
3911  3910  O     12.420434   17.879041   -7.480960     1  3911  3912
3912  3911  H     12.684828   17.459446   -8.299659     2  3910
3913  3912  H     13.226618   18.264045   -7.137342     2  3910
3914  3913  O     -4.980263   10.415583   -3.018163     1  3914  3915
3915  3914  H     -5.747980   10.572696   -3.567852     2  3913
3916  3915  H     -4.344206   11.072688   -3.300790     2  3913
3917  3916  O      6.467672    7.455344  -16.192743     1  3917  3918
3918  3917  H      7.068927    7.836196  -16.832802     2  3916
3919  3918  H      5.905249    8.183551  -15.928870     2  3916
3920  3919  O      4.155944    7.390208   -4.629034     1  3920  3921
3921  3920  H      4.359695    7.853259   -5.441624     2  3919
3922  3921  H      4.576966    7.910164   -3.944476     2  3919
3923  3922  O     -0.742355    9.654267   -7.803733     1  3923  3924
3924  3923  H     -1.619158    9.619354   -8.186133     2  3922
3925  3924  H     -0.366942   10.468795   -8.138162     2  3922
3926  3925  O      3.941547   -3.910489   -2.273819     1  3926  3927
3927  3926  H      4.365600   -4.246392   -1.484148     2  3925
3928  3927  H      3.012855   -3.864670   -2.046520     2  3925
3929  3928  O    -12.007036   17.760055    1.318053     1  3929  3930
3930  3929  H    -11.294969   17.428327    1.864999     2  3928
3931  3930  H    -12.615902   17.025089    1.244974     2  3928
3932  3931  O     -8.841698    5.723721   -7.168185     1  3932  3933
3933  3932  H     -8.983292    5.625631   -8.109759     2  3931
3934  3933  H     -8.578224    4.852113   -6.873036     2  3931
3935  3934  O      8.692409   -9.468938    6.743271     1  3935  3936
3936  3935  H      8.306292   -8.671704    6.380553     2  3934
3937  3936  H      8.578208   -9.381821    7.689633     2  3934
3938  3937  O      5.515305    2.454704   -2.866614     1  3938  3939
3939  3938  H      6.339555    2.118449   -3.218433     2  3937
3940  3939  H      4.844021    1.884469   -3.241371     2  3937
3941  3940  O     13.122948  -11.724855    9.700326     1  3941  3942
3942  3941  H     13.751273  -11.513754    9.009763     2  3940
3943  3942  H     13.456687  -12.533165   10.089539     2  3940
3944  3943  O    -16.992911   13.733024    5.797037     1  3944  3945
3945  3944  H    -17.483401   12.983660    5.459241     2  3943
3946  3945  H    -16.715775   14.210624    5.015163     2  3943
3947  3946  O      4.265267   -1.288862   -1.029366     1  3947  3948
3948  3947  H      4.068049   -1.668104   -0.172913     2  3946
3949  3948  H      4.216449   -2.027690   -1.635982     2  3946
3950  3949  O     14.006587    4.153445   12.485799     1  3950  3951
3951  3950  H     14.010788    3.537035   11.753505     2  3949
3952  3951  H     14.178940    5.004867   12.083794     2  3949
3953  3952  O     -1.089391   -9.526925  -16.144200     1  3953  3954
3954  3953  H     -0.137826   -9.423413  -16.150793     2  3952
3955  3954  H     -1.390727   -8.932262  -15.457319     2  3952
3956  3955  O     16.330518    6.977273    9.084364     1  3956  3957
3957  3956  H     17.273916    7.107885    9.180146     2  3955
3958  3957  H     16.237542    6.049851    8.866475     2  3955
3959  3958  O    -12.816135    7.781116   13.602284     1  3959  3960
3960  3959  H    -13.622929    7.273593   13.514331     2  3958
3961  3960  H    -12.446948    7.799863   12.719345     2  3958
3962  3961  O    -12.728675  -13.266994   -4.264441     1  3962  3963
3963  3962  H    -12.910906  -13.822561   -5.022313     2  3961
3964  3963  H    -11.943955  -12.776673   -4.509459     2  3961
3965  3964  O    -12.781380   15.809141   -3.692961     1  3965  3966
3966  3965  H    -12.437714   16.689651   -3.844052     2  3964
3967  3966  H    -12.478165   15.580685   -2.814268     2  3964
3968  3967  O      8.731830    2.426465  -17.615642     1  3968  3969
3969  3968  H      7.990520    1.821741  -17.647286     2  3967
3970  3969  H      9.503626    1.863237  -17.673424     2  3967
3971  3970  O     -5.605539   -0.040060   16.356112     1  3971  3972
3972  3971  H     -4.814907   -0.568955   16.249318     2  3970
3973  3972  H     -5.463348    0.442383   17.170521     2  3970
3974  3973  O     16.365007   16.599132  -10.232241     1  3974  3975
3975  3974  H     16.725330   17.134059   -9.524955     2  3973
3976  3975  H     17.125542   16.158374  -10.611125     2  3973
3977  3976  O    -18.107979    4.077586   -6.371942     1  3977  3978
3978  3977  H    -18.118304    5.034296   -6.343095     2  3976
3979  3978  H    -17.510436    3.865547   -7.089029     2  3976
3980  3979  O    -17.122943  -10.851788  -12.221788     1  3980  3981
3981  3980  H    -16.671592  -11.480113  -11.658119     2  3979
3982  3981  H    -18.003307  -10.786609  -11.851729     2  3979
3983  3982  O    -13.273343   -3.848933  -14.969356     1  3983  3984
3984  3983  H    -13.021900   -4.691420  -14.590907     2  3982
3985  3984  H    -13.402743   -4.032836  -15.899769     2  3982
3986  3985  O     -7.906879    8.169044  -10.822661     1  3986  3987
3987  3986  H     -7.345185    7.424380  -11.037620     2  3985
3988  3987  H     -8.002525    8.130675   -9.871024     2  3985
3989  3988  O     15.446463   -6.809513  -15.042246     1  3989  3990
3990  3989  H     14.702117   -6.884707  -15.639346     2  3988
3991  3990  H     15.798472   -7.697762  -14.984484     2  3988
3992  3991  O    -14.464583    4.076004   -2.012138     1  3992  3993
3993  3992  H    -14.457605    3.503972   -1.244698     2  3991
3994  3993  H    -15.239293    4.625776   -1.894633     2  3991
3995  3994  O      1.200424    8.341212   -5.668164     1  3995  3996
3996  3995  H      2.089455    8.343907   -6.022917     2  3994
3997  3996  H      0.634984    8.413630   -6.437103     2  3994
3998  3997  O      7.974667   10.141233    2.589828     1  3998  3999
3999  3998  H      7.475121    9.810491    1.843306     2  3997
4000  3999  H      7.348889   10.146111    3.314128     2  3997
4001  4000  O      3.064340    6.929366   17.136726     1  4001  4002
4002  4001  H      3.710368    6.855108   16.434325     2  4000
4003  4002  H      2.776093    6.030200   17.293715     2  4000
4004  4003  O      3.218600    3.194208   15.494155     1  4004  4005
4005  4004  H      2.928308    3.782013   14.796697     2  4003
4006  4005  H      3.183592    2.321475   15.102562     2  4003
4007  4006  O    -16.259126    1.930312   -3.391962     1  4007  4008
4008  4007  H    -15.452927    1.481501   -3.137318     2  4006
4009  4008  H    -16.856282    1.785940   -2.657937     2  4006
4010  4009  O      1.803334   -6.210026    9.912537     1  4010  4011
4011  4010  H      2.298031   -5.437760   10.186605     2  4009
4012  4011  H      1.312881   -6.470048   10.692330     2  4009
4013  4012  O     -5.012577   17.533509  -11.595960     1  4013  4014
4014  4013  H     -5.725932   17.763124  -12.191472     2  4012
4015  4014  H     -4.334436   18.185988  -11.770971     2  4012
4016  4015  O     -8.909560   10.278650   10.225998     1  4016  4017
4017  4016  H     -9.216055   10.133452   11.121102     2  4015
4018  4017  H     -9.238826   11.147939    9.997628     2  4015
4019  4018  O    -17.359880   13.188245    8.558246     1  4019  4020
4020  4019  H    -17.153506   13.612506    7.725392     2  4018
4021  4020  H    -16.973118   12.315695    8.485416     2  4018
4022  4021  O     16.750649   13.060750    4.647191     1  4022  4023
4023  4022  H     17.045735   13.411848    3.807020     2  4021
4024  4023  H     15.927851   12.615187    4.445425     2  4021
4025  4024  O     -9.687164    8.908811   13.424459     1  4025  4026
4026  4025  H    -10.588413    9.019766   13.727231     2  4024
4027  4026  H     -9.375926    8.126056   13.879056     2  4024
4028  4027  O      0.842538    1.333886    8.166973     1  4028  4029
4029  4028  H      1.672686    1.742975    7.922571     2  4027
4030  4029  H      0.189102    2.021390    8.038159     2  4027
4031  4030  O     13.106389  -15.845905    8.681925     1  4031  4032
4032  4031  H     13.605377  -15.230519    9.219087     2  4030
4033  4032  H     12.793732  -16.505845    9.300760     2  4030
4034  4033  O    -13.522214   13.464083   -8.808436     1  4034  4035
4035  4034  H    -13.356780   13.627127   -7.879845     2  4033
4036  4035  H    -12.853026   12.828984   -9.063523     2  4033
4037  4036  O    -13.310082    8.973808  -12.954733     1  4037  4038
4038  4037  H    -13.322957    9.896526  -13.209014     2  4036
4039  4038  H    -12.467708    8.648974  -13.272731     2  4036
4040  4039  O     -8.136106   -3.916639   -6.628333     1  4040  4041
4041  4040  H     -7.625156   -3.275009   -6.134903     2  4039
4042  4041  H     -7.480949   -4.453590   -7.074075     2  4039
4043  4042  O     -3.868117    0.776692   11.706528     1  4043  4044
4044  4043  H     -3.648229    0.439746   10.837995     2  4042
4045  4044  H     -3.091823    1.266819   11.977406     2  4042
4046  4045  O      3.779706    8.701408   -6.895232     1  4046  4047
4047  4046  H      3.841542    8.164218   -7.685065     2  4045
4048  4047  H      3.489752    9.557779   -7.209537     2  4045
4049  4048  O     -9.540678   13.531378   -3.375272     1  4049  4050
4050  4049  H     -9.385171   13.882946   -2.498659     2  4048
4051  4050  H     -8.679192   13.537137   -3.792455     2  4048
4052  4051  O     -2.896060   -4.608552    4.007774     1  4052  4053
4053  4052  H     -2.556299   -5.022824    3.214569     2  4051
4054  4053  H     -3.590460   -4.027830    3.696642     2  4051
4055  4054  O     14.430348    2.095876    0.905952     1  4055  4056
4056  4055  H     14.096627    1.223206    0.697842     2  4054
4057  4056  H     13.680395    2.556013    1.282883     2  4054
4058  4057  O     -7.102048    3.711948  -12.497544     1  4058  4059
4059  4058  H     -7.728302    3.141336  -12.943009     2  4057
4060  4059  H     -6.252686    3.471088  -12.867414     2  4057
4061  4060  O    -16.010744    2.545157    6.223076     1  4061  4062
4062  4061  H    -16.415595    2.274192    5.399118     2  4060
4063  4062  H    -16.004603    3.501554    6.184335     2  4060
4064  4063  O     -2.653740   -8.135172   14.556181     1  4064  4065
4065  4064  H     -2.603673   -8.681188   13.771584     2  4063
4066  4065  H     -3.320854   -8.555478   15.098891     2  4063
4067  4066  O    -11.314473  -12.264919   -0.149938     1  4067  4068
4068  4067  H    -12.044729  -11.843029   -0.602672     2  4066
4069  4068  H    -11.311397  -13.162094   -0.483554     2  4066
4070  4069  O     -5.128984    7.591254   17.480808     1  4070  4071
4071  4070  H     -5.883856    8.052279   17.846670     2  4069
4072  4071  H     -4.390057    8.179516   17.636263     2  4069
4073  4072  O     11.976820    9.733909   14.367322     1  4073  4074
4074  4073  H     12.399362    9.699202   13.509134     2  4072
4075  4074  H     11.045542    9.838309   14.172244     2  4072
4076  4075  O     -5.122382  -12.507454   -3.560128     1  4076  4077
4077  4076  H     -4.603748  -11.745528   -3.301824     2  4075
4078  4077  H     -4.486455  -13.219968   -3.624570     2  4075
4079  4078  O      2.533300   -4.944294  -12.835028     1  4079  4080
4080  4079  H      2.600512   -5.897697  -12.782698     2  4078
4081  4080  H      3.077033   -4.706238  -13.585972     2  4078
4082  4081  O      3.851714    1.881269    8.343268     1  4082  4083
4083  4082  H      4.700937    1.439707    8.334546     2  4081
4084  4083  H      3.931177    2.567417    7.680607     2  4081
4085  4084  O    -18.061324  -16.120228  -16.801102     1  4085  4086
4086  4085  H    -18.935264  -16.216330  -17.179554     2  4084
4087  4086  H    -17.579530  -15.595028  -17.440064     2  4084
4088  4087  O      1.409899   10.652714   -3.789711     1  4088  4089
4089  4088  H      1.123546    9.739489   -3.773732     2  4087
4090  4089  H      2.323225   10.612909   -4.073407     2  4087
4091  4090  O    -16.457926   10.993824   16.181193     1  4091  4092
4092  4091  H    -17.179663   10.883977   15.562113     2  4090
4093  4092  H    -16.116248   10.109139   16.310890     2  4090
4094  4093  O     15.503667    4.919163   -6.783911     1  4094  4095
4095  4094  H     15.486187    5.553468   -7.500560     2  4093
4096  4095  H     16.426504    4.680155   -6.697426     2  4093
4097  4096  O     10.137280   11.903279   -1.197603     1  4097  4098
4098  4097  H      9.336931   11.829712   -0.677737     2  4096
4099  4098  H      9.864322   11.689895   -2.089900     2  4096
4100  4099  O      7.237530  -15.589666  -18.024728     1  4100  4101
4101  4100  H      7.400597  -15.063095  -17.242191     2  4099
4102  4101  H      6.336208  -15.895907  -17.924390     2  4099
4103  4102  O      6.766758   -1.386760   10.895962     1  4103  4104
4104  4103  H      7.635934   -1.414058   10.495936     2  4102
4105  4104  H      6.166409   -1.278266   10.158370     2  4102
4106  4105  O    -14.364641    9.346948    0.847678     1  4106  4107
4107  4106  H    -14.170399    8.440523    0.609151     2  4105
4108  4107  H    -15.053318    9.613108    0.238486     2  4105
4109  4108  O      3.489592   11.208979   -8.362177     1  4109  4110
4110  4109  H      3.784038   11.721294   -7.609138     2  4108
4111  4110  H      4.049033   11.498454   -9.082914     2  4108
4112  4111  O    -15.479601   16.541464   -1.843758     1  4112  4113
4113  4112  H    -14.691967   17.040132   -2.061006     2  4111
4114  4113  H    -15.275705   16.123176   -1.007281     2  4111
4115  4114  O      8.341130    9.987119  -12.860209     1  4115  4116
4116  4115  H      8.059774    9.136241  -12.523938     2  4114
4117  4116  H      7.922620   10.056366  -13.718281     2  4114
4118  4117  O    -13.448219    4.014388    0.949082     1  4118  4119
4119  4118  H    -12.625710    3.616861    0.663277     2  4117
4120  4119  H    -13.618086    3.624313    1.806531     2  4117
4121  4120  O     -7.368808    8.070414   -8.177901     1  4121  4122
4122  4121  H     -7.805004    7.319346   -7.775580     2  4120
4123  4122  H     -6.682300    8.310853   -7.555705     2  4120
4124  4123  O     -7.325055  -14.323933   13.990923     1  4124  4125
4125  4124  H     -7.772030  -13.521553   13.721418     2  4123
4126  4125  H     -6.396931  -14.089997   14.000470     2  4123
4127  4126  O      1.493577   17.542622   -7.113035     1  4127  4128
4128  4127  H      2.137699   18.049099   -7.607828     2  4126
4129  4128  H      0.646915   17.843345   -7.443131     2  4126
4130  4129  O     -5.510279   -1.049203  -11.901302     1  4130  4131
4131  4130  H     -6.360605   -1.390655  -12.178049     2  4129
4132  4131  H     -4.936629   -1.815359  -11.888546     2  4129
4133  4132  O    -18.112470    7.185514   -3.193681     1  4133  4134
4134  4133  H    -17.867344    8.020450   -3.592463     2  4132
4135  4134  H    -18.485665    6.676307   -3.913172     2  4132
4136  4135  O    -10.165667    7.328327   -0.302307     1  4136  4137
4137  4136  H     -9.460457    7.284182   -0.948034     2  4135
4138  4137  H    -10.963590    7.414870   -0.823902     2  4135
4139  4138  O    -11.242610    6.794984  -11.533104     1  4139  4140
4140  4139  H    -10.853216    6.791791  -12.407515     2  4138
4141  4140  H    -10.864323    7.562861  -11.104740     2  4138
4142  4141  O     -5.279689   -6.388098   11.333516     1  4142  4143
4143  4142  H     -5.618482   -6.486750   12.223303     2  4141
4144  4143  H     -5.763389   -7.034662   10.819491     2  4141
4145  4144  O     -5.086346    2.826315   -6.822394     1  4145  4146
4146  4145  H     -5.708996    3.273059   -7.395944     2  4144
4147  4146  H     -5.265370    1.895101   -6.952864     2  4144
4148  4147  O    -16.289083   18.162739   17.344572     1  4148  4149
4149  4148  H    -15.633972   18.734536   16.944433     2  4147
4150  4149  H    -16.456951   17.490892   16.683758     2  4147
4151  4150  O     -9.404653  -16.029437   12.432265     1  4151  4152
4152  4151  H    -10.340176  -15.828434   12.407214     2  4150
4153  4152  H     -8.991903  -15.215310   12.720479     2  4150
4154  4153  O     -6.007740   15.557544   16.449648     1  4154  4155
4155  4154  H     -5.870805   14.884301   17.116149     2  4153
4156  4155  H     -5.125058   15.829265   16.198108     2  4153
4157  4156  O    -14.287234   -0.738920  -16.817191     1  4157  4158
4158  4157  H    -15.041660   -0.980329  -16.279794     2  4156
4159  4158  H    -13.703245   -0.275657  -16.216709     2  4156
4160  4159  O    -17.320259  -14.735333    3.110141     1  4160  4161
4161  4160  H    -17.807924  -14.604398    3.923327     2  4159
4162  4161  H    -17.669389  -14.074684    2.511907     2  4159
4163  4162  O     11.663410    9.905150   -6.337460     1  4163  4164
4164  4163  H     11.519745    9.291938   -7.058268     2  4162
4165  4164  H     11.016322    9.655794   -5.677664     2  4162
4166  4165  O    -15.642596    6.919424  -16.535773     1  4166  4167
4167  4166  H    -15.731102    6.520821  -17.401518     2  4165
4168  4167  H    -14.713802    6.827822  -16.323211     2  4165
4169  4168  O    -10.666217    3.979397  -10.833045     1  4169  4170
4170  4169  H    -11.196080    4.667787  -10.431053     2  4168
4171  4170  H    -10.921138    3.988237  -11.755633     2  4168
4172  4171  O    -11.925653    4.368220    4.711031     1  4172  4173
4173  4172  H    -11.377651    4.021933    4.006750     2  4171
4174  4173  H    -12.492770    5.008393    4.281159     2  4171
4175  4174  O    -18.095818   -1.576462    9.113996     1  4175  4176
4176  4175  H    -18.407282   -2.478251    9.036534     2  4174
4177  4176  H    -18.671678   -1.073378    8.538214     2  4174
4178  4177  O    -16.090565  -10.395612  -14.713552     1  4178  4179
4179  4178  H    -16.577165  -10.597297  -13.914317     2  4177
4180  4179  H    -16.100353   -9.439886  -14.765755     2  4177
4181  4180  O     17.272099    6.792389  -15.913941     1  4181  4182
4182  4181  H     18.097451    6.313917  -15.991985     2  4180
4183  4182  H     17.187582    7.262044  -16.743708     2  4180
4184  4183  O     15.173839    9.660760   -2.479211     1  4184  4185
4185  4184  H     16.027661   10.092819   -2.455832     2  4183
4186  4185  H     15.021627    9.480074   -3.406798     2  4183
4187  4186  O      0.195745   15.852069   12.091879     1  4187  4188
4188  4187  H      0.756523   16.564266   11.784410     2  4186
4189  4188  H     -0.424242   15.708974   11.376776     2  4186
4190  4189  O    -12.041708    9.984473   -5.528044     1  4190  4191
4191  4190  H    -11.824792   10.514883   -4.761333     2  4189
4192  4191  H    -11.597581    9.150252   -5.376194     2  4189
4193  4192  O     -0.133545    1.911147   11.084994     1  4193  4194
4194  4193  H      0.801283    2.081604   10.969782     2  4192
4195  4194  H     -0.550863    2.351921   10.344861     2  4192
4196  4195  O     -1.141374   13.405585    6.537267     1  4196  4197
4197  4196  H     -0.823843   12.666700    6.018177     2  4195
4198  4197  H     -0.354242   13.909458    6.744072     2  4195
4199  4198  O      0.018084   10.238599    2.721457     1  4199  4200
4200  4199  H     -0.178787   10.899748    2.057863     2  4198
4201  4200  H      0.791157    9.784657    2.386006     2  4198
4202  4201  O      8.209342   12.882615    9.396247     1  4202  4203
4203  4202  H      8.217343   11.953314    9.625523     2  4201
4204  4203  H      7.281546   13.098842    9.303123     2  4201
4205  4204  O     -8.112214  -18.113750   -1.402062     1  4205  4206
4206  4205  H     -7.427149  -17.804894   -0.809165     2  4204
4207  4206  H     -8.888805  -17.612490   -1.153313     2  4204
4208  4207  O     -4.884365    0.530007   -9.788043     1  4208  4209
4209  4208  H     -5.313051   -0.025915  -10.438744     2  4207
4210  4209  H     -3.949291    0.367113   -9.911881     2  4207
4211  4210  O     -7.475566    7.672514  -16.011949     1  4211  4212
4212  4211  H     -7.508235    8.320462  -16.715744     2  4210
4213  4212  H     -7.996070    6.938128  -16.337504     2  4210
4214  4213  O     11.325292    1.413682  -14.560912     1  4214  4215
4215  4214  H     11.111536    1.109391  -15.442926     2  4213
4216  4215  H     10.680493    2.097639  -14.380163     2  4213
4217  4216  O     -4.803788  -14.365393   -7.642879     1  4217  4218
4218  4217  H     -5.209425  -15.134436   -8.043209     2  4216
4219  4218  H     -5.540450  -13.804341   -7.400430     2  4216
4220  4219  O    -17.111307    9.863673  -13.349579     1  4220  4221
4221  4220  H    -16.717152   10.469205  -13.977436     2  4219
4222  4221  H    -16.641876    9.040250  -13.483152     2  4219
4223  4222  O     -6.044108   -0.757741    1.285472     1  4223  4224
4224  4223  H     -6.985526   -0.778968    1.457271     2  4222
4225  4224  H     -5.843397    0.170113    1.162856     2  4222
4226  4225  O     15.473343   16.741771    5.365469     1  4226  4227
4227  4226  H     15.498688   15.874543    4.961110     2  4225
4228  4227  H     15.196766   16.578163    6.267118     2  4225
4229  4228  O      5.140827    4.928847    8.959961     1  4229  4230
4230  4229  H      4.741562    4.583063    8.161680     2  4228
4231  4230  H      4.552296    5.630634    9.238094     2  4228
4232  4231  O      6.709582  -10.530346   12.207643     1  4232  4233
4233  4232  H      7.396330  -11.197129   12.210716     2  4231
4234  4233  H      5.928070  -10.992145   11.903977     2  4231
4235  4234  O     15.870888   17.559390    0.614221     1  4235  4236
4236  4235  H     15.852544   17.865284    1.521043     2  4234
4237  4236  H     16.707574   17.101718    0.532212     2  4234
4238  4237  O      9.254496   -1.320135    9.956014     1  4238  4239
4239  4238  H      9.431294   -2.099701    9.429466     2  4237
4240  4239  H      9.837964   -0.651193    9.597805     2  4237
4241  4240  O      6.207293  -15.366187  -11.034023     1  4241  4242
4242  4241  H      7.157549  -15.435667  -10.942274     2  4240
4243  4242  H      5.916942  -16.261441  -11.208520     2  4240
4244  4243  O     -5.593162    8.110170   -5.971710     1  4244  4245
4245  4244  H     -4.986142    7.838229   -6.660046     2  4243
4246  4245  H     -5.379514    9.029592   -5.812811     2  4243
4247  4246  O      4.019596   12.929555   -1.801556     1  4247  4248
4248  4247  H      4.029071   13.849426   -2.066093     2  4246
4249  4248  H      3.120111   12.643384   -1.960505     2  4246
4250  4249  O     -6.766831    6.738623   -3.847632     1  4250  4251
4251  4250  H     -6.788212    5.909201   -4.324952     2  4249
4252  4251  H     -6.348884    7.352405   -4.451639     2  4249
4253  4252  O     -9.150832   -1.511606   11.771802     1  4253  4254
4254  4253  H     -8.369425   -1.033177   12.048825     2  4252
4255  4254  H     -8.819987   -2.357957   11.471031     2  4252
4256  4255  O     -6.047831    5.969799   11.960353     1  4256  4257
4257  4256  H     -6.324432    6.419035   12.759046     2  4255
4258  4257  H     -5.576428    5.196737   12.270814     2  4255
4259  4258  O     -2.124411  -14.140026   -2.721883     1  4259  4260
4260  4259  H     -2.148263  -13.929077   -1.788521     2  4258
4261  4260  H     -1.197563  -14.089754   -2.955675     2  4258
4262  4261  O     -6.411152   17.044748   -3.413102     1  4262  4263
4263  4262  H     -6.431816   17.328908   -2.499286     2  4261
4264  4263  H     -7.211859   16.531916   -3.523119     2  4261
4265  4264  O     -4.419217   -1.733570  -15.365670     1  4265  4266
4266  4265  H     -4.354492   -2.669993  -15.553166     2  4264
4267  4266  H     -5.278142   -1.479973  -15.703560     2  4264
4268  4267  O      0.893269  -14.815234   -0.244728     1  4268  4269
4269  4268  H      0.657566  -15.412349   -0.954750     2  4267
4270  4269  H      1.847800  -14.757422   -0.286686     2  4267
4271  4270  O     -6.691889   -8.081605    9.466983     1  4271  4272
4272  4271  H     -7.319038   -8.596370    8.959110     2  4270
4273  4272  H     -6.616497   -8.548348   10.299269     2  4270
4274  4273  O     -3.416123    0.723750   -4.364344     1  4274  4275
4275  4274  H     -3.233654    0.277652   -3.537340     2  4273
4276  4275  H     -2.889086    0.254844   -5.011331     2  4273
4277  4276  O     -1.801657    7.205496  -14.614874     1  4277  4278
4278  4277  H     -0.964005    7.130375  -15.071962     2  4276
4279  4278  H     -2.362444    7.691093  -15.219809     2  4276
4280  4279  O    -13.868899    4.506553   -8.167135     1  4280  4281
4281  4280  H    -14.009439    4.338283   -7.235380     2  4279
4282  4281  H    -14.707103    4.295304   -8.578255     2  4279
4283  4282  O    -15.238166   13.145535  -15.919731     1  4283  4284
4284  4283  H    -14.937479   12.236798  -15.915575     2  4282
4285  4284  H    -15.090731   13.451197  -15.024708     2  4282
4286  4285  O      2.481388    9.423898   16.693576     1  4286  4287
4287  4286  H      2.600108    8.475868   16.751688     2  4285
4288  4287  H      2.364285    9.707126   17.600385     2  4285
4289  4288  O     -8.036709  -15.706469  -10.341151     1  4289  4290
4290  4289  H     -8.931500  -15.979694  -10.138842     2  4288
4291  4290  H     -7.485155  -16.270953   -9.799507     2  4288
4292  4291  O     -1.767252  -13.706702    8.406454     1  4292  4293
4293  4292  H     -2.063044  -13.102659    7.725373     2  4291
4294  4293  H     -0.867036  -13.921593    8.162187     2  4291
4295  4294  O     -7.420798   16.562769   11.402130     1  4295  4296
4296  4295  H     -8.195673   16.542933   11.963741     2  4294
4297  4296  H     -7.290134   15.651141   11.141184     2  4294
4298  4297  O    -14.508560    8.244304   10.239562     1  4298  4299
4299  4298  H    -14.736751    9.109222   10.580265     2  4297
4300  4299  H    -13.553164    8.211558   10.288344     2  4297
4301  4300  O     13.573937    8.492780  -13.037216     1  4301  4302
4302  4301  H     14.112255    7.999639  -13.656294     2  4300
4303  4302  H     12.729775    8.590221  -13.477815     2  4300
4304  4303  O     15.822829   11.392627  -17.659750     1  4304  4305
4305  4304  H     16.603315   11.946588  -17.673948     2  4303
4306  4305  H     15.817376   11.008099  -16.783200     2  4303
4307  4306  O      2.093685   14.724467   -7.179221     1  4307  4308
4308  4307  H      1.972664   15.605850   -6.826021     2  4306
4309  4308  H      1.314884   14.244221   -6.898036     2  4306
4310  4309  O      2.083203    5.331174   -8.241950     1  4310  4311
4311  4310  H      1.604366    6.067976   -8.621518     2  4309
4312  4311  H      1.463831    4.931429   -7.631363     2  4309
4313  4312  O     15.787004    6.526514   14.729082     1  4313  4314
4314  4313  H     16.176566    6.166177   15.525720     2  4312
4315  4314  H     15.036746    7.034690   15.037468     2  4312
4316  4315  O     -8.209824   -9.024008   -6.001529     1  4316  4317
4317  4316  H     -7.278337   -8.808261   -5.956612     2  4315
4318  4317  H     -8.616157   -8.252289   -6.395959     2  4315
4319  4318  O     -7.667256   12.998448   13.207209     1  4319  4320
4320  4319  H     -7.022140   12.733412   13.862811     2  4318
4321  4320  H     -7.970213   13.857219   13.502102     2  4318
4322  4321  O     15.818834    6.746616   -8.621507     1  4322  4323
4323  4322  H     15.541966    6.587441   -9.523859     2  4321
4324  4323  H     16.481684    7.433613   -8.691501     2  4321
4325  4324  O    -14.667943  -13.145151   11.949985     1  4325  4326
4326  4325  H    -15.061476  -13.348040   12.798632     2  4324
4327  4326  H    -13.818211  -12.760645   12.165262     2  4324
4328  4327  O      9.444076   12.278407  -15.004881     1  4328  4329
4329  4328  H      8.933129   11.559242  -15.376322     2  4327
4330  4329  H      9.941428   12.626669  -15.744872     2  4327
4331  4330  O      6.598578   13.524953   -7.465254     1  4331  4332
4332  4331  H      6.538170   13.623348   -8.415466     2  4330
4333  4332  H      6.941671   14.364218   -7.158408     2  4330
4334  4333  O     15.647124   16.698051  -15.193325     1  4334  4335
4335  4334  H     16.264964   17.088000  -14.574903     2  4333
4336  4335  H     14.957737   16.327404  -14.642327     2  4333
4337  4336  O    -10.084396    3.684472   -0.101192     1  4337  4338
4338  4337  H     -9.358307    4.002963   -0.637467     2  4336
4339  4338  H    -10.619559    3.168268   -0.703991     2  4336
4340  4339  O    -17.986169  -13.102374    0.939052     1  4340  4341
4341  4340  H    -17.110822  -12.828570    0.665133     2  4339
4342  4341  H    -18.512652  -13.056625    0.140957     2  4339
4343  4342  O    -10.212360   -3.160358   -8.279749     1  4343  4344
4344  4343  H     -9.651869   -3.317654   -7.519920     2  4342
4345  4344  H    -10.716862   -2.380471   -8.048478     2  4342
4346  4345  O     -1.885605  -10.239826   17.189077     1  4346  4347
4347  4346  H     -1.759748  -10.321142   18.134477     2  4345
4348  4347  H     -2.586249   -9.594490   17.094876     2  4345
4349  4348  O     -7.692037    8.656442   17.838024     1  4349  4350
4350  4349  H     -7.990294    9.464224   17.419977     2  4348
4351  4350  H     -7.903013    7.967852   17.207496     2  4348
4352  4351  O     -4.669558    3.132970    3.419825     1  4352  4353
4353  4352  H     -5.538253    3.412867    3.708371     2  4351
4354  4353  H     -4.106935    3.273323    4.181395     2  4351
4355  4354  O    -13.043151   12.581606    0.171034     1  4355  4356
4356  4355  H    -13.316854   12.202207   -0.664056     2  4354
4357  4356  H    -13.798312   12.463551    0.747253     2  4354
4358  4357  O    -16.500652    5.932218   -1.031738     1  4358  4359
4359  4358  H    -17.201949    6.133229   -1.651424     2  4357
4360  4359  H    -16.952494    5.587529   -0.261504     2  4357
4361  4360  O      1.350309   12.230581  -11.417692     1  4361  4362
4362  4361  H      1.466699   13.164010  -11.240505     2  4360
4363  4362  H      0.640781   12.194725  -12.059188     2  4360
4364  4363  O     13.094771   11.734364   -0.923698     1  4364  4365
4365  4364  H     12.148822   11.873433   -0.878179     2  4363
4366  4365  H     13.196908   10.957037   -1.472846     2  4363
4367  4366  O     -9.084847   17.013151  -15.318019     1  4367  4368
4368  4367  H     -9.704655   17.007854  -14.588607     2  4366
4369  4368  H     -9.281741   16.213603  -15.806065     2  4366
4370  4369  O      8.846347    3.229916    7.522474     1  4370  4371
4371  4370  H      9.310796    3.356531    8.349812     2  4369
4372  4371  H      8.803479    2.279816    7.414286     2  4369
4373  4372  O     13.094127    8.817924  -16.826640     1  4373  4374
4374  4373  H     13.548136    8.011242  -16.582975     2  4372
4375  4374  H     13.282717    9.424994  -16.111005     2  4372
4376  4375  O     -4.366254   15.978852   -5.006287     1  4376  4377
4377  4376  H     -4.792362   15.653899   -5.799426     2  4375
4378  4377  H     -5.068280   16.403966   -4.513672     2  4375
4379  4378  O      9.786884   -0.505375  -10.929457     1  4379  4380
4380  4379  H     10.615984   -0.266606  -11.343962     2  4378
4381  4380  H      9.348046   -1.061358  -11.573302     2  4378
4382  4381  O    -15.595901    5.203693    5.700483     1  4382  4383
4383  4382  H    -16.341439    5.792726    5.816435     2  4381
4384  4383  H    -15.242742    5.430067    4.840096     2  4381
4385  4384  O     -0.377225   14.642149  -15.290956     1  4385  4386
4386  4385  H     -0.564148   14.937711  -16.181986     2  4384
4387  4386  H      0.325749   14.000618  -15.393420     2  4384
4388  4387  O    -11.202159   11.547974   -3.470680     1  4388  4389
4389  4388  H    -10.711486   10.727610   -3.520437     2  4387
4390  4389  H    -10.529784   12.228985   -3.451499     2  4387
4391  4390  O     14.733625    9.330069    0.570766     1  4391  4392
4392  4391  H     14.921449    9.930748   -0.150441     2  4390
4393  4392  H     15.363761    8.618049    0.460360     2  4390
4394  4393  O      2.967766    5.153486   -3.833186     1  4394  4395
4395  4394  H      2.048580    5.402277   -3.930314     2  4393
4396  4395  H      3.454588    5.869334   -4.241595     2  4393
4397  4396  O    -15.512800   12.669326  -13.232205     1  4397  4398
4398  4397  H    -15.178922   12.764882  -12.340227     2  4396
4399  4398  H    -15.967170   13.493279  -13.407934     2  4396
4400  4399  O     -8.198659   -2.759751    6.092765     1  4400  4401
4401  4400  H     -8.074889   -3.708311    6.058905     2  4399
4402  4401  H     -7.486382   -2.405634    5.560323     2  4399
4403  4402  O    -16.153113    4.462864   14.311318     1  4403  4404
4404  4403  H    -15.833886    4.998415   13.585018     2  4402
4405  4404  H    -16.879952    3.963088   13.939617     2  4402
4406  4405  O     12.689088   15.572951    1.087674     1  4406  4407
4407  4406  H     12.402759   15.852740    0.218211     2  4405
4408  4407  H     11.956819   15.792544    1.663690     2  4405
4409  4408  O    -17.624061   12.845355   -5.360061     1  4409  4410
4410  4409  H    -18.416435   13.219774   -4.975112     2  4408
4411  4410  H    -16.946492   13.502578   -5.201348     2  4408
4412  4411  O    -13.914473  -17.738559   -2.066193     1  4412  4413
4413  4412  H    -13.080595  -17.930995   -2.494970     2  4411
4414  4413  H    -14.270316  -16.996754   -2.555409     2  4411
4415  4414  O    -11.590815    1.236423    1.362762     1  4415  4416
4416  4415  H    -12.323282    0.704447    1.673769     2  4414
4417  4416  H    -11.513693    1.939260    2.007978     2  4414
4418  4417  O      8.896573    3.036471   -9.986873     1  4418  4419
4419  4418  H      8.518547    2.323598   -9.471954     2  4417
4420  4419  H      8.838078    2.734900  -10.893441     2  4417
4421  4420  O      5.664726   14.788928  -14.694484     1  4421  4422
4422  4421  H      4.787086   14.974021  -14.360235     2  4420
4423  4422  H      5.565951   14.798731  -15.646524     2  4420
4424  4423  O     -5.485992   17.439660    9.316294     1  4424  4425
4425  4424  H     -6.000436   16.863486    9.881629     2  4423
4426  4425  H     -6.136841   17.897436    8.784251     2  4423
4427  4426  O     -6.745664   15.070213  -12.762784     1  4427  4428
4428  4427  H     -6.377469   15.925861  -12.983085     2  4426
4429  4428  H     -6.853723   15.093045  -11.811977     2  4426
4430  4429  O      6.809043    9.798010   11.663494     1  4430  4431
4431  4430  H      5.890421    9.531167   11.629423     2  4429
4432  4431  H      7.078680    9.847726   10.746402     2  4429
4433  4432  O      4.094596   12.136711  -15.304028     1  4433  4434
4434  4433  H      4.433524   13.031107  -15.266396     2  4432
4435  4434  H      3.946677   11.897430  -14.389098     2  4432
4436  4435  O     -2.167247    9.800192    6.264939     1  4436  4437
4437  4436  H     -1.346509    9.390229    6.537979     2  4435
4438  4437  H     -2.270906   10.546326    6.855508     2  4435
4439  4438  O     17.761143  -10.025837   15.109977     1  4439  4440
4440  4439  H     18.095830   -9.886453   14.224094     2  4438
4441  4440  H     18.408010   -9.609035   15.679249     2  4438
4442  4441  O     -3.560875    3.592472  -16.752361     1  4442  4443
4443  4442  H     -3.669757    4.202366  -17.482023     2  4441
4444  4443  H     -3.172780    4.120151  -16.054385     2  4441
4445  4444  O    -11.920296   16.732431    5.448008     1  4445  4446
4446  4445  H    -12.395974   16.565533    6.261708     2  4444
4447  4446  H    -12.463542   16.336063    4.766826     2  4444
4448  4447  O      5.248248   -1.299424  -12.529630     1  4448  4449
4449  4448  H      6.194089   -1.399286  -12.421716     2  4447
4450  4449  H      4.919693   -1.152522  -11.642667     2  4447
4451  4450  O    -10.979419   13.889904    3.217538     1  4451  4452
4452  4451  H    -10.751680   13.210601    2.582782     2  4450
4453  4452  H    -11.138137   13.413426    4.032406     2  4450
4454  4453  O     -5.519292  -11.395713    7.043902     1  4454  4455
4455  4454  H     -5.960847  -10.948489    6.321924     2  4453
4456  4455  H     -5.193754  -10.688650    7.600965     2  4453
4457  4456  O      2.573362    1.091155  -14.901534     1  4457  4458
4458  4457  H      3.281209    1.703488  -14.700949     2  4456
4459  4458  H      2.540706    0.505877  -14.144820     2  4456
4460  4459  O    -13.897288    1.289402    7.511201     1  4460  4461
4461  4460  H    -13.183279    1.608277    6.959165     2  4459
4462  4461  H    -14.598551    1.929552    7.390075     2  4459
4463  4462  O      1.421628    3.208502  -16.377902     1  4463  4464
4464  4463  H      1.862280    2.373729  -16.219119     2  4462
4465  4464  H      1.407847    3.295106  -17.331077     2  4462
4466  4465  O     18.085761    4.427080    8.459733     1  4466  4467
4467  4466  H     18.795899    5.066495    8.515273     2  4465
4468  4467  H     18.523022    3.577390    8.515059     2  4465
4469  4468  O      1.537418  -17.845941    1.100425     1  4469  4470
4470  4469  H      1.429717  -18.765316    1.344108     2  4468
4471  4470  H      1.072682  -17.762328    0.267801     2  4468
4472  4471  O     -3.617379   16.483030   15.504512     1  4472  4473
4473  4472  H     -2.682760   16.282483   15.454510     2  4471
4474  4473  H     -3.706549   17.324480   15.057026     2  4471
4475  4474  O     -3.447060    5.326785   17.403266     1  4475  4476
4476  4475  H     -4.381888    5.530129   17.434584     2  4474
4477  4476  H     -3.015021    6.180780   17.419626     2  4474
4478  4477  O     -8.377140    3.624341   13.768270     1  4478  4479
4479  4478  H     -8.194258    3.841345   12.854106     2  4477
4480  4479  H     -9.223266    3.177435   13.744197     2  4477
4481  4480  O    -15.240610  -16.247569    0.500600     1  4481  4482
4482  4481  H    -14.495542  -16.729372    0.141476     2  4480
4483  4482  H    -15.240224  -16.465010    1.432776     2  4480
4484  4483  O      5.603203    9.200982   -2.784234     1  4484  4485
4485  4484  H      5.452485    9.214785   -1.839075     2  4483
4486  4485  H      5.002703    9.859945   -3.132659     2  4483
4487  4486  O      0.393254    9.600112  -15.177593     1  4487  4488
4488  4487  H      0.734570    9.066214  -15.895011     2  4486
4489  4488  H      1.013464    9.464309  -14.461263     2  4486
4490  4489  O    -14.967592   -8.753542   -9.532465     1  4490  4491
4491  4490  H    -15.635241   -9.151873   -8.974064     2  4489
4492  4491  H    -15.170037   -9.071140  -10.412453     2  4489
4493  4492  O      9.150484   11.339831   -3.510176     1  4493  4494
4494  4493  H      8.228838   11.596972   -3.536250     2  4492
4495  4494  H      9.399744   11.246656   -4.429644     2  4492
4496  4495  O      0.799450    3.778357  -13.392445     1  4496  4497
4497  4496  H      0.225584    3.143720  -12.963321     2  4495
4498  4497  H      0.684268    3.611879  -14.327993     2  4495
4499  4498  O     -1.271749   -0.992988    7.988727     1  4499  4500
4500  4499  H     -1.439191   -1.222015    7.074537     2  4498
4501  4500  H     -1.065991   -0.058389    7.968177     2  4498
4502  4501  O     -7.459823   -8.587464   16.731200     1  4502  4503
4503  4502  H     -7.992010   -9.206016   17.231602     2  4501
4504  4503  H     -8.083911   -8.143806   16.156818     2  4501
4505  4504  O     15.745388   -1.918095   11.328332     1  4505  4506
4506  4505  H     16.256426   -2.102052   10.540150     2  4504
4507  4506  H     14.834103   -1.957183   11.038049     2  4504
4508  4507  O      7.817721   10.313034  -15.601990     1  4508  4509
4509  4508  H      6.910249   10.556288  -15.785169     2  4507
4510  4509  H      8.110473    9.863747  -16.394877     2  4507
4511  4510  O      0.829995    2.028166   16.787554     1  4511  4512
4512  4511  H      1.272313    2.325656   15.992515     2  4510
4513  4512  H      0.891309    1.073542   16.753397     2  4510
4514  4513  O      2.056568   17.454257    7.245403     1  4514  4515
4515  4514  H      1.274537   17.805022    7.671576     2  4513
4516  4515  H      2.769402   17.649660    7.853611     2  4513
4517  4516  O      8.019630  -12.131368    8.459536     1  4517  4518
4518  4517  H      8.225305  -11.455106    7.814091     2  4516
4519  4518  H      8.444266  -12.920747    8.123682     2  4516
4520  4519  O      2.619146    1.117931    0.242235     1  4520  4521
4521  4520  H      3.143940    0.354621    0.001026     2  4519
4522  4521  H      2.016632    0.793184    0.911374     2  4519
4523  4522  O    -10.032008   12.882626    9.049507     1  4523  4524
4524  4523  H     -9.329889   13.044754    8.419447     2  4522
4525  4524  H    -10.836507   13.069513    8.565682     2  4522
4526  4525  O     11.994384    6.165507   13.540672     1  4526  4527
4527  4526  H     12.870221    5.836658   13.743158     2  4525
4528  4527  H     12.102993    6.649081   12.721775     2  4525
4529  4528  O      8.017309   -3.516453    8.078574     1  4529  4530
4530  4529  H      8.818705   -3.443211    7.560276     2  4528
4531  4530  H      8.224116   -4.166953    8.749627     2  4528
4532  4531  O     -8.273527    1.257828   15.722551     1  4532  4533
4533  4532  H     -8.302067    2.078282   16.214763     2  4531
4534  4533  H     -7.453750    0.844172   15.992897     2  4531
4535  4534  O    -17.479194  -11.623389   17.084602     1  4535  4536
4536  4535  H    -16.720766  -11.321131   16.584943     2  4534
4537  4536  H    -18.146123  -11.804679   16.422354     2  4534
4538  4537  O      8.687222   10.015383   13.651729     1  4538  4539
4539  4538  H      9.490967   10.201380   13.166310     2  4537
4540  4539  H      8.039402    9.815905   12.975880     2  4537
4541  4540  O      9.847312   16.735765    7.335261     1  4541  4542
4542  4541  H      9.518941   16.235191    6.588380     2  4540
4543  4542  H      9.547525   16.247370    8.101962     2  4540
4544  4543  O     -8.795914   -0.738534    2.392415     1  4544  4545
4545  4544  H     -8.950646   -0.431350    1.499146     2  4543
4546  4545  H     -9.271771   -0.118654    2.945173     2  4543
4547  4546  O    -12.279991   14.921232   -1.317823     1  4547  4548
4548  4547  H    -11.511109   15.349019   -0.940927     2  4546
4549  4548  H    -12.722532   14.520469   -0.569639     2  4546
4550  4549  O     -7.842518  -10.421626    8.698381     1  4550  4551
4551  4550  H     -8.647556  -10.595875    8.210749     2  4549
4552  4551  H     -7.314779  -11.211445    8.580446     2  4549
4553  4552  O     -8.915185    6.652328   -2.461147     1  4553  4554
4554  4553  H     -8.089888    6.898040   -2.879169     2  4552
4555  4554  H     -8.733990    5.806660   -2.050968     2  4552
4556  4555  O     -8.978709    9.799148    0.440012     1  4556  4557
4557  4556  H     -9.601187    9.137149    0.139160     2  4555
4558  4557  H     -8.156407    9.569669    0.007124     2  4555
4559  4558  O     -2.931865   11.792383  -15.762136     1  4559  4560
4560  4559  H     -3.005522   12.699591  -15.465859     2  4558
4561  4560  H     -2.333225   11.831367  -16.508020     2  4558
4562  4561  O      1.904032  -13.887204   14.961513     1  4562  4563
4563  4562  H      1.223472  -13.264617   15.217357     2  4561
4564  4563  H      1.472191  -14.472542   14.339318     2  4561
4565  4564  O     14.320418  -13.844856   10.762023     1  4565  4566
4566  4565  H     14.050569  -14.513271   11.391813     2  4564
4567  4566  H     15.273397  -13.808534   10.844151     2  4564
4568  4567  O    -13.017321   12.243299    7.076568     1  4568  4569
4569  4568  H    -13.116461   11.334044    7.358809     2  4567
4570  4569  H    -12.889538   12.734014    7.888419     2  4567
4571  4570  O    -10.677690   -5.105661    7.269414     1  4571  4572
4572  4571  H    -10.970482   -4.279619    7.654329     2  4570
4573  4572  H     -9.766799   -4.945831    7.022503     2  4570
4574  4573  O     -4.263721  -13.987589   14.328217     1  4574  4575
4575  4574  H     -4.076726  -13.233057   14.886738     2  4573
4576  4575  H     -4.259375  -14.735393   14.925714     2  4573
4577  4576  O     10.902487    5.847451   16.148099     1  4577  4578
4578  4577  H     11.027624    6.035016   15.217834     2  4576
4579  4578  H     10.816897    4.895073   16.191497     2  4576
4580  4579  O      9.275378  -13.604412  -13.463852     1  4580  4581
4581  4580  H      8.802831  -13.524587  -14.292441     2  4579
4582  4581  H      9.238663  -14.537965  -13.255614     2  4579
4583  4582  O     -4.432353    5.980239    6.658140     1  4583  4584
4584  4583  H     -4.013657    6.202461    5.826549     2  4582
4585  4584  H     -5.343138    5.797763    6.427043     2  4582
4586  4585  O      3.242551   -3.809066   10.073513     1  4586  4587
4587  4586  H      2.322787   -3.553449   10.003320     2  4585
4588  4587  H      3.713450   -3.155234    9.556801     2  4585
4589  4588  O      0.548425   -6.336990   18.186149     1  4589  4590
4590  4589  H     -0.303179   -5.931608   18.349458     2  4588
4591  4590  H      1.055607   -5.658587   17.740314     2  4588
4592  4591  O    -16.655480   16.089086    9.980496     1  4592  4593
4593  4592  H    -16.054635   16.834182    9.987579     2  4591
4594  4593  H    -16.762962   15.858685   10.903315     2  4591
4595  4594  O    -10.854842    1.084978  -15.968137     1  4595  4596
4596  4595  H    -11.377818    1.622404  -16.563033     2  4594
4597  4596  H    -10.382576    0.481813  -16.542061     2  4594
4598  4597  O     16.820528  -16.723723    5.707348     1  4598  4599
4599  4598  H     16.681321  -15.891173    5.256002     2  4597
4600  4599  H     15.940178  -17.076191    5.837667     2  4597
4601  4600  O      2.652299  -16.588043  -12.979201     1  4601  4602
4602  4601  H      3.007863  -16.691917  -12.096581     2  4600
4603  4602  H      2.989431  -15.742698  -13.275792     2  4600
4604  4603  O      1.514591    8.563901    9.976773     1  4604  4605
4605  4604  H      1.067552    9.058989   10.663269     2  4603
4606  4605  H      0.983276    8.706370    9.193421     2  4603
4607  4606  O     13.032834   -1.637790    4.323298     1  4607  4608
4608  4607  H     13.727377   -1.023719    4.561541     2  4606
4609  4608  H     12.533568   -1.183800    3.644432     2  4606
4610  4609  O     -6.039492  -11.515562  -17.886755     1  4610  4611
4611  4610  H     -5.908859  -10.599067  -17.643435     2  4609
4612  4611  H     -6.935514  -11.549553  -18.221753     2  4609
4613  4612  O     -3.337843   -1.531982   15.900094     1  4613  4614
4614  4613  H     -2.977715   -1.919971   15.102595     2  4612
4615  4614  H     -2.684455   -1.718958   16.574155     2  4612
4616  4615  O     -8.227689   13.124165    7.108277     1  4616  4617
4617  4616  H     -7.414952   13.014426    6.614668     2  4615
4618  4617  H     -8.898788   12.719485    6.558647     2  4615
4619  4618  O    -16.168636   -4.832714    8.086926     1  4619  4620
4620  4619  H    -15.303525   -4.880347    7.680053     2  4618
4621  4620  H    -16.237966   -5.638786    8.598467     2  4618
4622  4621  O     -5.079890   -3.218605    7.470118     1  4622  4623
4623  4622  H     -5.157052   -4.053980    7.931017     2  4621
4624  4623  H     -5.660312   -2.626279    7.948126     2  4621
4625  4624  O     18.116063   -5.413305   11.624558     1  4625  4626
4626  4625  H     18.353910   -4.486448   11.649004     2  4624
4627  4626  H     17.917885   -5.634294   12.534570     2  4624
4628  4627  O     17.775812   10.632011   14.523268     1  4628  4629
4629  4628  H     17.969595   10.029873   13.804860     2  4627
4630  4629  H     16.825999   10.746257   14.491065     2  4627
4631  4630  O     14.513655    7.031649  -15.083584     1  4631  4632
4632  4631  H     15.436426    6.965817  -15.329334     2  4630
4633  4632  H     14.182179    6.136416  -15.153684     2  4630
4634  4633  O      4.642085  -12.273604   11.667426     1  4634  4635
4635  4634  H      4.194707  -12.874321   12.263434     2  4633
4636  4635  H      5.165350  -12.841790   11.102102     2  4633
4637  4636  O      9.786987   15.442421    4.958000     1  4637  4638
4638  4637  H      9.283419   14.905511    4.346134     2  4636
4639  4638  H     10.619841   14.980382    5.053430     2  4636
4640  4639  O      0.391073   -3.603286   10.717109     1  4640  4641
4641  4640  H     -0.471429   -3.942405   10.477690     2  4639
4642  4641  H      0.549183   -3.948400   11.595818     2  4639
4643  4642  O     16.483218  -15.086836    8.281710     1  4643  4644
4644  4643  H     16.312012  -14.312418    8.817619     2  4642
4645  4644  H     15.861009  -15.741049    8.599663     2  4642
4646  4645  O     13.297178   -2.117478    9.492092     1  4646  4647
4647  4646  H     12.729584   -1.558267   10.022519     2  4645
4648  4647  H     12.774217   -2.324375    8.717535     2  4645
4649  4648  O     -6.205685   -9.186125    1.867557     1  4649  4650
4650  4649  H     -7.014845   -8.677030    1.819439     2  4648
4651  4650  H     -5.583469   -8.606818    2.307424     2  4648
4652  4651  O    -13.123370  -14.009164  -11.976665     1  4652  4653
4653  4652  H    -12.608459  -14.799801  -11.815445     2  4651
4654  4653  H    -12.793858  -13.374314  -11.340568     2  4651
4655  4654  O     -6.389027   18.022852    6.706859     1  4655  4656
4656  4655  H     -6.506685   17.739419    5.800187     2  4654
4657  4656  H     -6.716823   17.292181    7.231171     2  4654
4658  4657  O     -8.503948    3.495521   11.077018     1  4658  4659
4659  4658  H     -8.854803    2.605136   11.095662     2  4657
4660  4659  H     -8.823233    3.862063   10.252435     2  4657
4661  4660  O     10.441050   12.282581    8.151621     1  4661  4662
4662  4661  H      9.652662   12.584654    8.602651     2  4660
4663  4662  H     11.017005   13.046976    8.137117     2  4660
4664  4663  O      9.645896    0.076473    3.923871     1  4664  4665
4665  4664  H     10.467176   -0.118832    3.472663     2  4663
4666  4665  H      9.223109    0.738500    3.376875     2  4663
4667  4666  O     -8.831275  -11.913720   14.234937     1  4667  4668
4668  4667  H     -9.602857  -12.480123   14.225950     2  4666
4669  4668  H     -8.890220  -11.414925   13.420098     2  4666
4670  4669  O    -11.306967  -12.702389    2.468481     1  4670  4671
4671  4670  H    -11.462187  -12.756871    1.525522     2  4669
4672  4671  H    -10.641339  -12.021061    2.563158     2  4669
4673  4672  O    -10.404780   -8.418996    3.335398     1  4673  4674
4674  4673  H    -10.844520   -8.313324    4.179018     2  4672
4675  4674  H     -9.504222   -8.137903    3.497311     2  4672
4676  4675  O    -14.871828   10.969163   10.983765     1  4676  4677
4677  4676  H    -14.546957   11.865809   11.065727     2  4675
4678  4677  H    -14.830130   10.616605   11.872695     2  4675
4679  4678  O     14.428001   15.188645    9.723164     1  4679  4680
4680  4679  H     15.156615   15.164515    9.102864     2  4678
4681  4680  H     14.845669   15.263384   10.581185     2  4678
4682  4681  O     -5.199428   -5.972002    8.500838     1  4682  4683
4683  4682  H     -5.671146   -6.803010    8.556872     2  4681
4684  4683  H     -4.856234   -5.830889    9.383186     2  4681
4685  4684  O     -5.666446  -17.713241   12.305475     1  4685  4686
4686  4685  H     -5.401281  -17.529247   11.404328     2  4684
4687  4686  H     -6.124182  -18.552347   12.254372     2  4684
4688  4687  O     -2.385518    2.535696   13.836380     1  4688  4689
4689  4688  H     -1.621909    1.958552   13.842617     2  4687
4690  4689  H     -2.761617    2.445567   14.711971     2  4687
4691  4690  O     -4.986371  -13.152690    4.263718     1  4691  4692
4692  4691  H     -4.439870  -13.077165    5.045936     2  4690
4693  4692  H     -5.537200  -13.917920    4.428771     2  4690
4694  4693  O      6.438889   13.574219    0.794081     1  4694  4695
4695  4694  H      6.586034   14.386593    0.309696     2  4693
4696  4695  H      5.487674   13.517899    0.884909     2  4693
4697  4696  O     -6.688426   -6.229922  -11.090785     1  4697  4698
4698  4697  H     -7.199098   -6.239525  -11.900324     2  4696
4699  4698  H     -6.991622   -5.450591  -10.625008     2  4696
4700  4699  O      2.162172   13.802471  -18.138868     1  4700  4701
4701  4700  H      1.342068   14.294804  -18.103205     2  4699
4702  4701  H      2.087224   13.159937  -17.433343     2  4699
4703  4702  O     -0.586047  -11.463152    3.564383     1  4703  4704
4704  4703  H      0.252033  -11.658470    3.145211     2  4702
4705  4704  H     -0.447932  -11.675447    4.487469     2  4702
4706  4705  O      3.817697   -0.014702   12.210033     1  4706  4707
4707  4706  H      3.300908    0.002542   11.404512     2  4705
4708  4707  H      4.137693   -0.914792   12.270643     2  4705
4709  4708  O      1.205658  -14.703463   11.095012     1  4709  4710
4710  4709  H      1.516171  -13.806852   11.221120     2  4708
4711  4710  H      0.252506  -14.637802   11.153518     2  4708
4712  4711  O     12.066956   -7.836234   12.393459     1  4712  4713
4713  4712  H     11.887962   -7.103582   12.982878     2  4711
4714  4713  H     11.223178   -8.277587   12.296097     2  4711
4715  4714  O      1.102652  -10.595844   -1.856816     1  4715  4716
4716  4715  H      0.876788  -10.025766   -1.121814     2  4714
4717  4716  H      0.512939  -10.325156   -2.560520     2  4714
4718  4717  O    -14.144384   17.479955  -10.141175     1  4718  4719
4719  4718  H    -14.000084   17.674843  -11.067150     2  4717
4720  4719  H    -14.599340   16.637787  -10.141244     2  4717
4721  4720  O    -17.648496   10.687504   11.497155     1  4721  4722
4722  4721  H    -16.836515   10.864552   11.022211     2  4720
4723  4722  H    -18.275573   11.318614   11.144014     2  4720
4724  4723  O     15.493474   -7.664569    9.240103     1  4724  4725
4725  4724  H     16.091107   -7.984680    9.915822     2  4723
4726  4725  H     16.063136   -7.429550    8.507652     2  4723
4727  4726  O    -17.068923    4.504620    1.324124     1  4727  4728
4728  4727  H    -16.630016    3.680638    1.535420     2  4726
4729  4728  H    -17.993381    4.338206    1.508289     2  4726
4730  4729  O     17.227832   -8.599326   10.835373     1  4730  4731
4731  4730  H     17.859333   -8.926335   11.476079     2  4729
4732  4731  H     16.519181   -8.231252   11.363170     2  4729
4733  4732  O      0.850835  -14.169017    2.452989     1  4733  4734
4734  4733  H      1.474537  -13.452579    2.571077     2  4732
4735  4734  H      0.974780  -14.448021    1.545781     2  4732
4736  4735  O     -0.367237    4.940530   13.625056     1  4736  4737
4737  4736  H     -1.145469    4.383280   13.617268     2  4735
4738  4737  H     -0.192858    5.122136   12.701561     2  4735
4739  4738  O      4.885207  -10.853349    3.393511     1  4739  4740
4740  4739  H      5.607583  -11.426280    3.136304     2  4738
4741  4740  H      4.614081  -11.179483    4.251625     2  4738
4742  4741  O     -5.637268   11.980999   14.875185     1  4742  4743
4743  4742  H     -4.916860   12.559448   14.624900     2  4741
4744  4743  H     -5.644582   12.006985   15.832004     2  4741
4745  4744  O     14.261369   15.356046    3.245793     1  4745  4746
4746  4745  H     13.912283   15.683480    2.416843     2  4744
4747  4746  H     15.211477   15.378539    3.131687     2  4744
4748  4747  O    -15.996480   -1.338839    0.990453     1  4748  4749
4749  4748  H    -15.834936   -1.392661    0.048519     2  4747
4750  4749  H    -16.732046   -1.932289    1.142086     2  4747
4751  4750  O      3.032124   17.305446   12.351735     1  4751  4752
4752  4751  H      3.015460   16.906907   11.481608     2  4750
4753  4752  H      2.474337   18.079235   12.272005     2  4750
4754  4753  O    -16.565149    1.513271    1.015020     1  4754  4755
4755  4754  H    -16.957188    1.742051    0.172288     2  4753
4756  4755  H    -16.666786    0.563505    1.077048     2  4753
4757  4756  O    -11.486256    5.825769   14.963309     1  4757  4758
4758  4757  H    -12.217039    5.402276   15.413689     2  4756
4759  4758  H    -11.893370    6.520900   14.446314     2  4756
4760  4759  O     17.540079   11.232844  -11.630336     1  4760  4761
4761  4760  H     17.790547   12.145532  -11.773515     2  4759
4762  4761  H     18.091718   10.735099  -12.233807     2  4759
4763  4762  O      4.464095    7.989629    4.356111     1  4763  4764
4764  4763  H      4.420475    7.034185    4.317947     2  4762
4765  4764  H      4.297730    8.273556    3.457256     2  4762
4766  4765  O     11.747928   -1.134809   11.320827     1  4766  4767
4767  4766  H     10.832345   -1.334475   11.125700     2  4765
4768  4767  H     11.717020   -0.300996   11.789904     2  4765
4769  4768  O     12.353639  -13.870957   -1.672095     1  4769  4770
4770  4769  H     12.991569  -14.558994   -1.482664     2  4768
4771  4770  H     12.674617  -13.107395   -1.192324     2  4768
4772  4771  O     -6.605841  -10.908394    3.958118     1  4772  4773
4773  4772  H     -6.290392  -10.386384    3.220398     2  4771
4774  4773  H     -5.987547  -11.636602    4.018605     2  4771
4775  4774  O    -11.695318   -6.912187   17.427645     1  4775  4776
4776  4775  H    -12.619690   -6.747811   17.614055     2  4774
4777  4776  H    -11.703682   -7.587697   16.749523     2  4774
4778  4777  O    -12.126571    7.566490   -2.628594     1  4778  4779
4779  4778  H    -13.075946    7.682152   -2.667860     2  4777
4780  4779  H    -11.969610    6.724011   -3.055003     2  4777
4781  4780  O    -12.476439   14.321618    8.693928     1  4781  4782
4782  4781  H    -13.082655   15.062278    8.681354     2  4780
4783  4782  H    -12.151659   14.292573    9.593876     2  4780
4784  4783  O     -5.729408   -9.420092   11.536961     1  4784  4785
4785  4784  H     -6.105473  -10.271253   11.761307     2  4783
4786  4785  H     -5.916353   -8.867569   12.295909     2  4783
4787  4786  O     -9.371313   15.731977    5.941192     1  4787  4788
4788  4787  H     -9.560178   14.846618    5.630225     2  4786
4789  4788  H    -10.195730   16.205830    5.831499     2  4786
4790  4789  O    -15.788476  -13.692124   14.438288     1  4790  4791
4791  4790  H    -16.720239  -13.478093   14.390956     2  4789
4792  4791  H    -15.398406  -12.961239   14.917752     2  4789
4793  4792  O     17.534631   -5.066888    7.033939     1  4793  4794
4794  4793  H     18.465438   -4.938447    7.216512     2  4792
4795  4794  H     17.378549   -5.992265    7.222483     2  4792
4796  4795  O     -3.860098    9.096539  -15.508562     1  4796  4797
4797  4796  H     -4.014113    8.935245  -16.439420     2  4795
4798  4797  H     -3.655891   10.030301  -15.457369     2  4795
4799  4798  O     -3.523033    0.802058  -13.719646     1  4799  4800
4800  4799  H     -4.130045    0.197673  -13.292461     2  4798
4801  4800  H     -3.048942    0.260175  -14.350386     2  4798
4802