1  4320  Ice II Crystal (Density=1.180 at 198K and 3000 Atm)
2    38.900000   46.680000   31.120000  113.100000  113.100000  113.100000
3     1  O      2.496331    0.846328   -0.797850     1     2     3
4     2  H      1.653038    1.371655   -1.038298     2     1
5     3  H      2.596559    1.480885   -0.016394     2     1
6     4  O      3.468545   -3.323026    1.814289     1     5     6
7     5  H      2.706814   -3.863677    2.191356     2     4
8     6  H      2.971733   -2.791400    1.109340     2     4
9     7  O     -2.042438    1.842756    0.131154     1     8     9
10     8  H     -2.192457    0.861967    0.377066     2     7
11     9  H     -1.909713    2.008333    1.120269     2     7
12    10  O      1.887016    4.575770   -1.366182     1    11    12
13    11  H      2.771809    4.125037   -1.535588     2    10
14    12  H      1.271049    3.772920   -1.415364     2    10
15    13  O     -0.200933   -2.306177    1.491871     1    14    15
16    14  H      0.613130   -2.122046    0.901680     2    13
17    15  H      0.343423   -1.929695    2.256933     2    13
18    16  O     -4.417430    0.167309    2.612139     1    17    18
19    17  H     -4.615877    1.044582    2.158567     2    16
20    18  H     -3.733511   -0.210634    1.967302     2    16
21    19  O     -2.496331   -0.846328    0.797850     1    20    21
22    20  H     -1.653038   -1.371655    1.038298     2    19
23    21  H     -2.596559   -1.480885    0.016394     2    19
24    22  O     -3.468545    3.323026   -1.814289     1    23    24
25    23  H     -2.706814    3.863677   -2.191356     2    22
26    24  H     -2.971733    2.791400   -1.109340     2    22
27    25  O      2.042438   -1.842756   -0.131154     1    26    27
28    26  H      2.192457   -0.861967   -0.377066     2    25
29    27  H      1.909713   -2.008333   -1.120269     2    25
30    28  O     -1.887016   -4.575770    1.366182     1    29    30
31    29  H     -2.771809   -4.125037    1.535588     2    28
32    30  H     -1.271049   -3.772920    1.415364     2    28
33    31  O      0.200933    2.306177   -1.491871     1    32    33
34    32  H     -0.613130    2.122046   -0.901680     2    31
35    33  H     -0.343423    1.929695   -2.256933     2    31
36    34  O      4.417430   -0.167309   -2.612139     1    35    36
37    35  H      4.615877   -1.044582   -2.158567     2    34
38    36  H      3.733511    0.210634   -1.967302     2    34
39    37  O     -3.906521   -8.845692   -6.262577     1    38    39
40    38  H     -4.749814   -8.320365   -6.503025     2    37
41    39  H     -3.806293   -8.211135   -5.481121     2    37
42    40  O     -2.934307  -13.015046   -3.650438     1    41    42
43    41  H     -3.696038  -13.555697   -3.273371     2    40
44    42  H     -3.431119  -12.483420   -4.355387     2    40
45    43  O     -8.445290   -7.849264   -5.333573     1    44    45
46    44  H     -8.595309   -8.830053   -5.087661     2    43
47    45  H     -8.312565   -7.683687   -4.344458     2    43
48    46  O     -4.515836   -5.116250   -6.830909     1    47    48
49    47  H     -3.631043   -5.566983   -7.000315     2    46
50    48  H     -5.131803   -5.919100   -6.880091     2    46
51    49  O     -6.603785  -11.998197   -3.972856     1    50    51
52    50  H     -5.789722  -11.814066   -4.563047     2    49
53    51  H     -6.059429  -11.621715   -3.207794     2    49
54    52  O    -10.820282   -9.524711   -2.852588     1    53    54
55    53  H    -11.018729   -8.647438   -3.306160     2    52
56    54  H    -10.136363   -9.902654   -3.497425     2    52
57    55  O     -8.899183  -10.538348   -4.666877     1    56    57
58    56  H     -8.055890  -11.063675   -4.426429     2    55
59    57  H     -8.999411  -11.172905   -5.448333     2    55
60    58  O     -9.871397   -6.368994   -7.279016     1    59    60
61    59  H     -9.109666   -5.828343   -7.656083     2    58
62    60  H     -9.374585   -6.900620   -6.574067     2    58
63    61  O     -4.360414  -11.534776   -5.595881     1    62    63
64    62  H     -4.210395  -10.553987   -5.841793     2    61
65    63  H     -4.493139  -11.700353   -6.584996     2    61
66    64  O     -8.289868  -14.267790   -4.098545     1    65    66
67    65  H     -9.174661  -13.817057   -3.929139     2    64
68    66  H     -7.673901  -13.464940   -4.049363     2    64
69    67  O     -6.201919   -7.385843   -6.956598     1    68    69
70    68  H     -7.015982   -7.569974   -6.366407     2    67
71    69  H     -6.746275   -7.762325   -7.721660     2    67
72    70  O     -1.985422   -9.859329   -8.076866     1    71    72
73    71  H     -1.786975  -10.736602   -7.623294     2    70
74    72  H     -2.669341   -9.481386   -7.432029     2    70
75    73  O     -6.958903  -13.466094   -0.797850     1    74    75
76    74  H     -7.802196  -12.940767   -1.038298     2    73
77    75  H     -6.858675  -12.831537   -0.016394     2    73
78    76  O     -5.986689  -17.635448    1.814289     1    77    78
79    77  H     -6.748420  -18.176099    2.191356     2    76
80    78  H     -6.483501  -17.103822    1.109340     2    76
81    79  O    -11.497672  -12.469666    0.131154     1    80    81
82    80  H    -11.647691  -13.450455    0.377066     2    79
83    81  H    -11.364947  -12.304089    1.120269     2    79
84    82  O     -7.568218   -9.736652   -1.366182     1    83    84
85    83  H     -6.683425  -10.187385   -1.535588     2    82
86    84  H     -8.184185  -10.539502   -1.415364     2    82
87    85  O     -9.656167  -16.618599    1.491871     1    86    87
88    86  H     -8.842104  -16.434468    0.901680     2    85
89    87  H     -9.111811  -16.242117    2.256933     2    85
90    88  O    -13.872664  -14.145113    2.612139     1    89    90
91    89  H    -14.071111  -13.267840    2.158567     2    88
92    90  H    -13.188745  -14.523056    1.967302     2    88
93    91  O    -11.951565  -15.158750    0.797850     1    92    93
94    92  H    -11.108272  -15.684077    1.038298     2    91
95    93  H    -12.051793  -15.793307    0.016394     2    91
96    94  O    -12.923779  -10.989396   -1.814289     1    95    96
97    95  H    -12.162048  -10.448745   -2.191356     2    94
98    96  H    -12.426967  -11.521022   -1.109340     2    94
99    97  O     -7.412796  -16.155178   -0.131154     1    98    99
100    98  H     -7.262777  -15.174389   -0.377066     2    97
101    99  H     -7.545521  -16.320755   -1.120269     2    97
102   100  O    -11.342250  -18.888192    1.366182     1   101   102
103   101  H    -12.227043  -18.437459    1.535588     2   100
104   102  H    -10.726283  -18.085342    1.415364     2   100
105   103  O     -9.254301  -12.006245   -1.491871     1   104   105
106   104  H    -10.068364  -12.190376   -0.901680     2   103
107   105  H     -9.798657  -12.382727   -2.256933     2   103
108   106  O     -5.037804  -14.479731   -2.612139     1   107   108
109   107  H     -4.839357  -15.357004   -2.158567     2   106
110   108  H     -5.721723  -14.101788   -1.967302     2   106
111   109  O    -10.011286  -18.086497    4.666877     1   110   111
112   110  H    -10.854579  -17.561170    4.426429     2   109
113   111  H     -9.911058  -17.451940    5.448333     2   109
114   112  O     -9.039072  -22.255851    7.279016     1   113   114
115   113  H     -9.800803  -22.796502    7.656083     2   112
116   114  H     -9.535884  -21.724225    6.574067     2   112
117   115  O    -14.550055  -17.090069    5.595881     1   116   117
118   116  H    -14.700074  -18.070858    5.841793     2   115
119   117  H    -14.417330  -16.924492    6.584996     2   115
120   118  O    -10.620601  -14.357055    4.098545     1   119   120
121   119  H     -9.735808  -14.807788    3.929139     2   118
122   120  H    -11.236568  -15.159905    4.049363     2   118
123   121  O    -12.708550  -21.239002    6.956598     1   122   123
124   122  H    -11.894487  -21.054871    6.366407     2   121
125   123  H    -12.164194  -20.862520    7.721660     2   121
126   124  O    -16.925047  -18.765516    8.076866     1   125   126
127   125  H    -17.123494  -17.888243    7.623294     2   124
128   126  H    -16.241128  -19.143459    7.432029     2   124
129   127  O    -15.003948  -19.779153    6.262577     1   128   129
130   128  H    -14.160655  -20.304480    6.503025     2   127
131   129  H    -15.104176  -20.413710    5.481121     2   127
132   130  O    -15.976162  -15.609799    3.650438     1   131   132
133   131  H    -15.214431  -15.069148    3.273371     2   130
134   132  H    -15.479350  -16.141425    4.355387     2   130
135   133  O    -10.465179  -20.775581    5.333573     1   134   135
136   134  H    -10.315160  -19.794792    5.087661     2   133
137   135  H    -10.597904  -20.941158    4.344458     2   133
138   136  O    -14.394633  -23.508595    6.830909     1   137   138
139   137  H    -15.279426  -23.057862    7.000315     2   136
140   138  H    -13.778666  -22.705745    6.880091     2   136
141   139  O    -12.306684  -16.626648    3.972856     1   140   141
142   140  H    -13.120747  -16.810779    4.563047     2   139
143   141  H    -12.851040  -17.003130    3.207794     2   139
144   142  O     -8.090187  -19.100134    2.852588     1   143   144
145   143  H     -7.891740  -19.977407    3.306160     2   142
146   144  H     -8.774106  -18.722191    3.497425     2   142
147   145  O    -13.063669  -22.706900   10.131603     1   146   147
148   146  H    -13.906962  -22.181573    9.891155     2   145
149   147  H    -12.963441  -22.072343   10.913059     2   145
150   148  O    -12.091455  -26.876254   12.743742     1   149   150
151   149  H    -12.853186  -27.416905   13.120809     2   148
152   150  H    -12.588267  -26.344628   12.038793     2   148
153   151  O    -17.602438  -21.710472   11.060607     1   152   153
154   152  H    -17.752457  -22.691261   11.306519     2   151
155   153  H    -17.469713  -21.544895   12.049722     2   151
156   154  O    -13.672984  -18.977458    9.563271     1   155   156
157   155  H    -12.788191  -19.428191    9.393865     2   154
158   156  H    -14.288951  -19.780308    9.514089     2   154
159   157  O    -15.760933  -25.859405   12.421324     1   158   159
160   158  H    -14.946870  -25.675274   11.831133     2   157
161   159  H    -15.216577  -25.482923   13.186386     2   157
162   160  O    -19.977430  -23.385919   13.541592     1   161   162
163   161  H    -20.175877  -22.508646   13.088020     2   160
164   162  H    -19.293511  -23.763862   12.896755     2   160
165   163  O    -18.056331  -24.399556   11.727303     1   164   165
166   164  H    -17.213038  -24.924883   11.967751     2   163
167   165  H    -18.156559  -25.034113   10.945847     2   163
168   166  O    -19.028545  -20.230202    9.115164     1   167   168
169   167  H    -18.266814  -19.689551    8.738097     2   166
170   168  H    -18.531733  -20.761828    9.820113     2   166
171   169  O    -13.517562  -25.395984   10.798299     1   170   171
172   170  H    -13.367543  -24.415195   10.552387     2   169
173   171  H    -13.650287  -25.561561    9.809184     2   169
174   172  O    -17.447016  -28.128998   12.295635     1   173   174
175   173  H    -18.331809  -27.678265   12.465041     2   172
176   174  H    -16.831049  -27.326148   12.344817     2   172
177   175  O    -15.359067  -21.247051    9.437582     1   176   177
178   176  H    -16.173130  -21.431182   10.027773     2   175
179   177  H    -15.903423  -21.623533    8.672520     2   175
180   178  O    -11.142570  -23.720537    8.317314     1   179   180
181   179  H    -10.944123  -24.597810    8.770886     2   178
182   180  H    -11.826489  -23.342594    8.962151     2   178
183   181  O     -6.958903   -1.689480   -6.262577     1   182   183
184   182  H     -7.802196   -1.164153   -6.503025     2   181
185   183  H     -6.858675   -1.054923   -5.481121     2   181
186   184  O     -5.986689   -5.858834   -3.650438     1   185   186
187   185  H     -6.748420   -6.399485   -3.273371     2   184
188   186  H     -6.483501   -5.327208   -4.355387     2   184
189   187  O    -11.497672   -0.693052   -5.333573     1   188   189
190   188  H    -11.647691   -1.673841   -5.087661     2   187
191   189  H    -11.364947   -0.527475   -4.344458     2   187
192   190  O     -7.568218    2.039962   -6.830909     1   191   192
193   191  H     -6.683425    1.589229   -7.000315     2   190
194   192  H     -8.184185    1.237112   -6.880091     2   190
195   193  O     -9.656167   -4.841985   -3.972856     1   194   195
196   194  H     -8.842104   -4.657854   -4.563047     2   193
197   195  H     -9.111811   -4.465503   -3.207794     2   193
198   196  O    -13.872664   -2.368499   -2.852588     1   197   198
199   197  H    -14.071111   -1.491226   -3.306160     2   196
200   198  H    -13.188745   -2.746442   -3.497425     2   196
201   199  O    -11.951565   -3.382136   -4.666877     1   200   201
202   200  H    -11.108272   -3.907463   -4.426429     2   199
203   201  H    -12.051793   -4.016693   -5.448333     2   199
204   202  O    -12.923779    0.787218   -7.279016     1   203   204
205   203  H    -12.162048    1.327869   -7.656083     2   202
206   204  H    -12.426967    0.255592   -6.574067     2   202
207   205  O     -7.412796   -4.378564   -5.595881     1   206   207
208   206  H     -7.262777   -3.397775   -5.841793     2   205
209   207  H     -7.545521   -4.544141   -6.584996     2   205
210   208  O    -11.342250   -7.111578   -4.098545     1   209   210
211   209  H    -12.227043   -6.660845   -3.929139     2   208
212   210  H    -10.726283   -6.308728   -4.049363     2   208
213   211  O     -9.254301   -0.229631   -6.956598     1   212   213
214   212  H    -10.068364   -0.413762   -6.366407     2   211
215   213  H     -9.798657   -0.606113   -7.721660     2   211
216   214  O     -5.037804   -2.703117   -8.076866     1   215   216
217   215  H     -4.839357   -3.580390   -7.623294     2   214
218   216  H     -5.721723   -2.325174   -7.432029     2   214
219   217  O    -10.011286   -6.309883   -0.797850     1   218   219
220   218  H    -10.854579   -5.784556   -1.038298     2   217
221   219  H     -9.911058   -5.675326   -0.016394     2   217
222   220  O     -9.039072  -10.479237    1.814289     1   221   222
223   221  H     -9.800803  -11.019888    2.191356     2   220
224   222  H     -9.535884   -9.947611    1.109340     2   220
225   223  O    -14.550055   -5.313455    0.131154     1   224   225
226   224  H    -14.700074   -6.294244    0.377066     2   223
227   225  H    -14.417330   -5.147878    1.120269     2   223
228   226  O    -10.620601   -2.580441   -1.366182     1   227   228
229   227  H     -9.735808   -3.031174   -1.535588     2   226
230   228  H    -11.236568   -3.383291   -1.415364     2   226
231   229  O    -12.708550   -9.462388    1.491871     1   230   231
232   230  H    -11.894487   -9.278257    0.901680     2   229
233   231  H    -12.164194   -9.085906    2.256933     2   229
234   232  O    -16.925047   -6.988902    2.612139     1   233   234
235   233  H    -17.123494   -6.111629    2.158567     2   232
236   234  H    -16.241128   -7.366845    1.967302     2   232
237   235  O    -15.003948   -8.002539    0.797850     1   236   237
238   236  H    -14.160655   -8.527866    1.038298     2   235
239   237  H    -15.104176   -8.637096    0.016394     2   235
240   238  O    -15.976162   -3.833185   -1.814289     1   239   240
241   239  H    -15.214431   -3.292534   -2.191356     2   238
242   240  H    -15.479350   -4.364811   -1.109340     2   238
243   241  O    -10.465179   -8.998967   -0.131154     1   242   243
244   242  H    -10.315160   -8.018178   -0.377066     2   241
245   243  H    -10.597904   -9.164544   -1.120269     2   241
246   244  O    -14.394633  -11.731981    1.366182     1   245   246
247   245  H    -15.279426  -11.281248    1.535588     2   244
248   246  H    -13.778666  -10.929131    1.415364     2   244
249   247  O    -12.306684   -4.850034   -1.491871     1   248   249
250   248  H    -13.120747   -5.034165   -0.901680     2   247
251   249  H    -12.851040   -5.226516   -2.256933     2   247
252   250  O     -8.090187   -7.323520   -2.612139     1   251   252
253   251  H     -7.891740   -8.200793   -2.158567     2   250
254   252  H     -8.774106   -6.945577   -1.967302     2   250
255   253  O    -13.063669  -10.930286    4.666877     1   254   255
256   254  H    -13.906962  -10.404959    4.426429     2   253
257   255  H    -12.963441  -10.295729    5.448333     2   253
258   256  O    -12.091455  -15.099640    7.279016     1   257   258
259   257  H    -12.853186  -15.640291    7.656083     2   256
260   258  H    -12.588267  -14.568014    6.574067     2   256
261   259  O    -17.602438   -9.933858    5.595881     1   260   261
262   260  H    -17.752457  -10.914647    5.841793     2   259
263   261  H    -17.469713   -9.768281    6.584996     2   259
264   262  O    -13.672984   -7.200844    4.098545     1   263   264
265   263  H    -12.788191   -7.651577    3.929139     2   262
266   264  H    -14.288951   -8.003694    4.049363     2   262
267   265  O    -15.760933  -14.082791    6.956598     1   266   267
268   266  H    -14.946870  -13.898660    6.366407     2   265
269   267  H    -15.216577  -13.706309    7.721660     2   265
270   268  O    -19.977430  -11.609305    8.076866     1   269   270
271   269  H    -20.175877  -10.732032    7.623294     2   268
272   270  H    -19.293511  -11.987248    7.432029     2   268
273   271  O    -18.056331  -12.622942    6.262577     1   272   273
274   272  H    -17.213038  -13.148269    6.503025     2   271
275   273  H    -18.156559  -13.257499    5.481121     2   271
276   274  O    -19.028545   -8.453588    3.650438     1   275   276
277   275  H    -18.266814   -7.912937    3.273371     2   274
278   276  H    -18.531733   -8.985214    4.355387     2   274
279   277  O    -13.517562  -13.619370    5.333573     1   278   279
280   278  H    -13.367543  -12.638581    5.087661     2   277
281   279  H    -13.650287  -13.784947    4.344458     2   277
282   280  O    -17.447016  -16.352384    6.830909     1   281   282
283   281  H    -18.331809  -15.901651    7.000315     2   280
284   282  H    -16.831049  -15.549534    6.880091     2   280
285   283  O    -15.359067   -9.470437    3.972856     1   284   285
286   284  H    -16.173130   -9.654568    4.563047     2   283
287   285  H    -15.903423   -9.846919    3.207794     2   283
288   286  O    -11.142570  -11.943923    2.852588     1   287   288
289   287  H    -10.944123  -12.821196    3.306160     2   286
290   288  H    -11.826489  -11.565980    3.497425     2   286
291   289  O    -16.116052  -15.550689   10.131603     1   290   291
292   290  H    -16.959345  -15.025362    9.891155     2   289
293   291  H    -16.015824  -14.916132   10.913059     2   289
294   292  O    -15.143838  -19.720043   12.743742     1   293   294
295   293  H    -15.905569  -20.260694   13.120809     2   292
296   294  H    -15.640650  -19.188417   12.038793     2   292
297   295  O    -20.654821  -14.554261   11.060607     1   296   297
298   296  H    -20.804840  -15.535050   11.306519     2   295
299   297  H    -20.522096  -14.388684   12.049722     2   295
300   298  O    -16.725367  -11.821247    9.563271     1   299   300
301   299  H    -15.840574  -12.271980    9.393865     2   298
302   300  H    -17.341334  -12.624097    9.514089     2   298
303   301  O    -18.813316  -18.703194   12.421324     1   302   303
304   302  H    -17.999253  -18.519063   11.831133     2   301
305   303  H    -18.268960  -18.326712   13.186386     2   301
306   304  O    -23.029813  -16.229708   13.541592     1   305   306
307   305  H    -23.228260  -15.352435   13.088020     2   304
308   306  H    -22.345894  -16.607651   12.896755     2   304
309   307  O    -21.108714  -17.243345   11.727303     1   308   309
310   308  H    -20.265421  -17.768672   11.967751     2   307
311   309  H    -21.208942  -17.877902   10.945847     2   307
312   310  O    -22.080928  -13.073991    9.115164     1   311   312
313   311  H    -21.319197  -12.533340    8.738097     2   310
314   312  H    -21.584116  -13.605617    9.820113     2   310
315   313  O    -16.569945  -18.239773   10.798299     1   314   315
316   314  H    -16.419926  -17.258984   10.552387     2   313
317   315  H    -16.702670  -18.405350    9.809184     2   313
318   316  O    -20.499399  -20.972787   12.295635     1   317   318
319   317  H    -21.384192  -20.522054   12.465041     2   316
320   318  H    -19.883432  -20.169937   12.344817     2   316
321   319  O    -18.411450  -14.090840    9.437582     1   320   321
322   320  H    -19.225513  -14.274971   10.027773     2   319
323   321  H    -18.955806  -14.467322    8.672520     2   319
324   322  O    -14.194953  -16.564326    8.317314     1   323   324
325   323  H    -13.996506  -17.441599    8.770886     2   322
326   324  H    -14.878872  -16.186383    8.962151     2   322
327   325  O    -10.011286    5.466731   -6.262577     1   326   327
328   326  H    -10.854579    5.992058   -6.503025     2   325
329   327  H     -9.911058    6.101288   -5.481121     2   325
330   328  O     -9.039072    1.297377   -3.650438     1   329   330
331   329  H     -9.800803    0.756726   -3.273371     2   328
332   330  H     -9.535884    1.829003   -4.355387     2   328
333   331  O    -14.550055    6.463159   -5.333573     1   332   333
334   332  H    -14.700074    5.482370   -5.087661     2   331
335   333  H    -14.417330    6.628736   -4.344458     2   331
336   334  O    -10.620601    9.196173   -6.830909     1   335   336
337   335  H     -9.735808    8.745440   -7.000315     2   334
338   336  H    -11.236568    8.393323   -6.880091     2   334
339   337  O    -12.708550    2.314226   -3.972856     1   338   339
340   338  H    -11.894487    2.498357   -4.563047     2   337
341   339  H    -12.164194    2.690708   -3.207794     2   337
342   340  O    -16.925047    4.787712   -2.852588     1   341   342
343   341  H    -17.123494    5.664985   -3.306160     2   340
344   342  H    -16.241128    4.409769   -3.497425     2   340
345   343  O    -15.003948    3.774075   -4.666877     1   344   345
346   344  H    -14.160655    3.248748   -4.426429     2   343
347   345  H    -15.104176    3.139518   -5.448333     2   343
348   346  O    -15.976162    7.943429   -7.279016     1   347   348
349   347  H    -15.214431    8.484080   -7.656083     2   346
350   348  H    -15.479350    7.411803   -6.574067     2   346
351   349  O    -10.465179    2.777647   -5.595881     1   350   351
352   350  H    -10.315160    3.758436   -5.841793     2   349
353   351  H    -10.597904    2.612070   -6.584996     2   349
354   352  O    -14.394633    0.044633   -4.098545     1   353   354
355   353  H    -15.279426    0.495366   -3.929139     2   352
356   354  H    -13.778666    0.847483   -4.049363     2   352
357   355  O    -12.306684    6.926580   -6.956598     1   356   357
358   356  H    -13.120747    6.742449   -6.366407     2   355
359   357  H    -12.851040    6.550098   -7.721660     2   355
360   358  O     -8.090187    4.453094   -8.076866     1   359   360
361   359  H     -7.891740    3.575821   -7.623294     2   358
362   360  H     -8.774106    4.831037   -7.432029     2   358
363   361  O    -13.063669    0.846328   -0.797850     1   362   363
364   362  H    -13.906962    1.371655   -1.038298     2   361
365   363  H    -12.963441    1.480885   -0.016394     2   361
366   364  O    -12.091455   -3.323026    1.814289     1   365   366
367   365  H    -12.853186   -3.863677    2.191356     2   364
368   366  H    -12.588267   -2.791400    1.109340     2   364
369   367  O    -17.602438    1.842756    0.131154     1   368   369
370   368  H    -17.752457    0.861967    0.377066     2   367
371   369  H    -17.469713    2.008333    1.120269     2   367
372   370  O    -13.672984    4.575770   -1.366182     1   371   372
373   371  H    -12.788191    4.125037   -1.535588     2   370
374   372  H    -14.288951    3.772920   -1.415364     2   370
375   373  O    -15.760933   -2.306177    1.491871     1   374   375
376   374  H    -14.946870   -2.122046    0.901680     2   373
377   375  H    -15.216577   -1.929695    2.256933     2   373
378   376  O    -19.977430    0.167309    2.612139     1   377   378
379   377  H    -20.175877    1.044582    2.158567     2   376
380   378  H    -19.293511   -0.210634    1.967302     2   376
381   379  O    -18.056331   -0.846328    0.797850     1   380   381
382   380  H    -17.213038   -1.371655    1.038298     2   379
383   381  H    -18.156559   -1.480885    0.016394     2   379
384   382  O    -19.028545    3.323026   -1.814289     1   383   384
385   383  H    -18.266814    3.863677   -2.191356     2   382
386   384  H    -18.531733    2.791400   -1.109340     2   382
387   385  O    -13.517562   -1.842756   -0.131154     1   386   387
388   386  H    -13.367543   -0.861967   -0.377066     2   385
389   387  H    -13.650287   -2.008333   -1.120269     2   385
390   388  O    -17.447016   -4.575770    1.366182     1   389   390
391   389  H    -18.331809   -4.125037    1.535588     2   388
392   390  H    -16.831049   -3.772920    1.415364     2   388
393   391  O    -15.359067    2.306177   -1.491871     1   392   393
394   392  H    -16.173130    2.122046   -0.901680     2   391
395   393  H    -15.903423    1.929695   -2.256933     2   391
396   394  O    -11.142570   -0.167309   -2.612139     1   395   396
397   395  H    -10.944123   -1.044582   -2.158567     2   394
398   396  H    -11.826489    0.210634   -1.967302     2   394
399   397  O    -16.116052   -3.774075    4.666877     1   398   399
400   398  H    -16.959345   -3.248748    4.426429     2   397
401   399  H    -16.015824   -3.139518    5.448333     2   397
402   400  O    -15.143838   -7.943429    7.279016     1   401   402
403   401  H    -15.905569   -8.484080    7.656083     2   400
404   402  H    -15.640650   -7.411803    6.574067     2   400
405   403  O    -20.654821   -2.777647    5.595881     1   404   405
406   404  H    -20.804840   -3.758436    5.841793     2   403
407   405  H    -20.522096   -2.612070    6.584996     2   403
408   406  O    -16.725367   -0.044633    4.098545     1   407   408
409   407  H    -15.840574   -0.495366    3.929139     2   406
410   408  H    -17.341334   -0.847483    4.049363     2   406
411   409  O    -18.813316   -6.926580    6.956598     1   410   411
412   410  H    -17.999253   -6.742449    6.366407     2   409
413   411  H    -18.268960   -6.550098    7.721660     2   409
414   412  O    -23.029813   -4.453094    8.076866     1   413   414
415   413  H    -23.228260   -3.575821    7.623294     2   412
416   414  H    -22.345894   -4.831037    7.432029     2   412
417   415  O    -21.108714   -5.466731    6.262577     1   416   417
418   416  H    -20.265421   -5.992058    6.503025     2   415
419   417  H    -21.208942   -6.101288    5.481121     2   415
420   418  O    -22.080928   -1.297377    3.650438     1   419   420
421   419  H    -21.319197   -0.756726    3.273371     2   418
422   420  H    -21.584116   -1.829003    4.355387     2   418
423   421  O    -16.569945   -6.463159    5.333573     1   422   423
424   422  H    -16.419926   -5.482370    5.087661     2   421
425   423  H    -16.702670   -6.628736    4.344458     2   421
426   424  O    -20.499399   -9.196173    6.830909     1   425   426
427   425  H    -21.384192   -8.745440    7.000315     2   424
428   426  H    -19.883432   -8.393323    6.880091     2   424
429   427  O    -18.411450   -2.314226    3.972856     1   428   429
430   428  H    -19.225513   -2.498357    4.563047     2   427
431   429  H    -18.955806   -2.690708    3.207794     2   427
432   430  O    -14.194953   -4.787712    2.852588     1   431   432
433   431  H    -13.996506   -5.664985    3.306160     2   430
434   432  H    -14.878872   -4.409769    3.497425     2   430
435   433  O    -19.168435   -8.394478   10.131603     1   434   435
436   434  H    -20.011728   -7.869151    9.891155     2   433
437   435  H    -19.068207   -7.759921   10.913059     2   433
438   436  O    -18.196221  -12.563832   12.743742     1   437   438
439   437  H    -18.957952  -13.104483   13.120809     2   436
440   438  H    -18.693033  -12.032206   12.038793     2   436
441   439  O    -23.707204   -7.398050   11.060607     1   440   441
442   440  H    -23.857223   -8.378839   11.306519     2   439
443   441  H    -23.574479   -7.232473   12.049722     2   439
444   442  O    -19.777750   -4.665036    9.563271     1   443   444
445   443  H    -18.892957   -5.115769    9.393865     2   442
446   444  H    -20.393717   -5.467886    9.514089     2   442
447   445  O    -21.865699  -11.546983   12.421324     1   446   447
448   446  H    -21.051636  -11.362852   11.831133     2   445
449   447  H    -21.321343  -11.170501   13.186386     2   445
450   448  O    -26.082196   -9.073497   13.541592     1   449   450
451   449  H    -26.280643   -8.196224   13.088020     2   448
452   450  H    -25.398277   -9.451440   12.896755     2   448
453   451  O    -24.161097  -10.087134   11.727303     1   452   453
454   452  H    -23.317804  -10.612461   11.967751     2   451
455   453  H    -24.261325  -10.721691   10.945847     2   451
456   454  O    -25.133311   -5.917780    9.115164     1   455   456
457   455  H    -24.371580   -5.377129    8.738097     2   454
458   456  H    -24.636499   -6.449406    9.820113     2   454
459   457  O    -19.622328  -11.083562   10.798299     1   458   459
460   458  H    -19.472309  -10.102773   10.552387     2   457
461   459  H    -19.755053  -11.249139    9.809184     2   457
462   460  O    -23.551782  -13.816576   12.295635     1   461   462
463   461  H    -24.436575  -13.365843   12.465041     2   460
464   462  H    -22.935815  -13.013726   12.344817     2   460
465   463  O    -21.463833   -6.934629    9.437582     1   464   465
466   464  H    -22.277896   -7.118760   10.027773     2   463
467   465  H    -22.008189   -7.311111    8.672520     2   463
468   466  O    -17.247336   -9.408115    8.317314     1   467   468
469   467  H    -17.048889  -10.285388    8.770886     2   466
470   468  H    -17.931255   -9.030172    8.962151     2   466
471   469  O    -13.063669   12.622942   -6.262577     1   470   471
472   470  H    -13.906962   13.148269   -6.503025     2   469
473   471  H    -12.963441   13.257499   -5.481121     2   469
474   472  O    -12.091455    8.453588   -3.650438     1   473   474
475   473  H    -12.853186    7.912937   -3.273371     2   472
476   474  H    -12.588267    8.985214   -4.355387     2   472
477   475  O    -17.602438   13.619370   -5.333573     1   476   477
478   476  H    -17.752457   12.638581   -5.087661     2   475
479   477  H    -17.469713   13.784947   -4.344458     2   475
480   478  O    -13.672984   16.352384   -6.830909     1   479   480
481   479  H    -12.788191   15.901651   -7.000315     2   478
482   480  H    -14.288951   15.549534   -6.880091     2   478
483   481  O    -15.760933    9.470437   -3.972856     1   482   483
484   482  H    -14.946870    9.654568   -4.563047     2   481
485   483  H    -15.216577    9.846919   -3.207794     2   481
486   484  O    -19.977430   11.943923   -2.852588     1   485   486
487   485  H    -20.175877   12.821196   -3.306160     2   484
488   486  H    -19.293511   11.565980   -3.497425     2   484
489   487  O    -18.056331   10.930286   -4.666877     1   488   489
490   488  H    -17.213038   10.404959   -4.426429     2   487
491   489  H    -18.156559   10.295729   -5.448333     2   487
492   490  O    -19.028545   15.099640   -7.279016     1   491   492
493   491  H    -18.266814   15.640291   -7.656083     2   490
494   492  H    -18.531733   14.568014   -6.574067     2   490
495   493  O    -13.517562    9.933858   -5.595881     1   494   495
496   494  H    -13.367543   10.914647   -5.841793     2   493
497   495  H    -13.650287    9.768281   -6.584996     2   493
498   496  O    -17.447016    7.200844   -4.098545     1   497   498
499   497  H    -18.331809    7.651577   -3.929139     2   496
500   498  H    -16.831049    8.003694   -4.049363     2   496
501   499  O    -15.359067   14.082791   -6.956598     1   500   501
502   500  H    -16.173130   13.898660   -6.366407     2   499
503   501  H    -15.903423   13.706309   -7.721660     2   499
504   502  O    -11.142570   11.609305   -8.076866     1   503   504
505   503  H    -10.944123   10.732032   -7.623294     2   502
506   504  H    -11.826489   11.987248   -7.432029     2   502
507   505  O    -16.116052    8.002539   -0.797850     1   506   507
508   506  H    -16.959345    8.527866   -1.038298     2   505
509   507  H    -16.015824    8.637096   -0.016394     2   505
510   508  O    -15.143838    3.833185    1.814289     1   509   510
511   509  H    -15.905569    3.292534    2.191356     2   508
512   510  H    -15.640650    4.364811    1.109340     2   508
513   511  O    -20.654821    8.998967    0.131154     1   512   513
514   512  H    -20.804840    8.018178    0.377066     2   511
515   513  H    -20.522096    9.164544    1.120269     2   511
516   514  O    -16.725367   11.731981   -1.366182     1   515   516
517   515  H    -15.840574   11.281248   -1.535588     2   514
518   516  H    -17.341334   10.929131   -1.415364     2   514
519   517  O    -18.813316    4.850034    1.491871     1   518   519
520   518  H    -17.999253    5.034165    0.901680     2   517
521   519  H    -18.268960    5.226516    2.256933     2   517
522   520  O    -23.029813    7.323520    2.612139     1   521   522
523   521  H    -23.228260    8.200793    2.158567     2   520
524   522  H    -22.345894    6.945577    1.967302     2   520
525   523  O    -21.108714    6.309883    0.797850     1   524   525
526   524  H    -20.265421    5.784556    1.038298     2   523
527   525  H    -21.208942    5.675326    0.016394     2   523
528   526  O    -22.080928   10.479237   -1.814289     1   527   528
529   527  H    -21.319197   11.019888   -2.191356     2   526
530   528  H    -21.584116    9.947611   -1.109340     2   526
531   529  O    -16.569945    5.313455   -0.131154     1   530   531
532   530  H    -16.419926    6.294244   -0.377066     2   529
533   531  H    -16.702670    5.147878   -1.120269     2   529
534   532  O    -20.499399    2.580441    1.366182     1   533   534
535   533  H    -21.384192    3.031174    1.535588     2   532
536   534  H    -19.883432    3.383291    1.415364     2   532
537   535  O    -18.411450    9.462388   -1.491871     1   536   537
538   536  H    -19.225513    9.278257   -0.901680     2   535
539   537  H    -18.955806    9.085906   -2.256933     2   535
540   538  O    -14.194953    6.988902   -2.612139     1   539   540
541   539  H    -13.996506    6.111629   -2.158567     2   538
542   540  H    -14.878872    7.366845   -1.967302     2   538
543   541  O    -19.168435    3.382136    4.666877     1   542   543
544   542  H    -20.011728    3.907463    4.426429     2   541
545   543  H    -19.068207    4.016693    5.448333     2   541
546   544  O    -18.196221   -0.787218    7.279016     1   545   546
547   545  H    -18.957952   -1.327869    7.656083     2   544
548   546  H    -18.693033   -0.255592    6.574067     2   544
549   547  O    -23.707204    4.378564    5.595881     1   548   549
550   548  H    -23.857223    3.397775    5.841793     2   547
551   549  H    -23.574479    4.544141    6.584996     2   547
552   550  O    -19.777750    7.111578    4.098545     1   551   552
553   551  H    -18.892957    6.660845    3.929139     2   550
554   552  H    -20.393717    6.308728    4.049363     2   550
555   553  O    -21.865699    0.229631    6.956598     1   554   555
556   554  H    -21.051636    0.413762    6.366407     2   553
557   555  H    -21.321343    0.606113    7.721660     2   553
558   556  O    -26.082196    2.703117    8.076866     1   557   558
559   557  H    -26.280643    3.580390    7.623294     2   556
560   558  H    -25.398277    2.325174    7.432029     2   556
561   559  O    -24.161097    1.689480    6.262577     1   560   561
562   560  H    -23.317804    1.164153    6.503025     2   559
563   561  H    -24.261325    1.054923    5.481121     2   559
564   562  O    -25.133311    5.858834    3.650438     1   563   564
565   563  H    -24.371580    6.399485    3.273371     2   562
566   564  H    -24.636499    5.327208    4.355387     2   562
567   565  O    -19.622328    0.693052    5.333573     1   566   567
568   566  H    -19.472309    1.673841    5.087661     2   565
569   567  H    -19.755053    0.527475    4.344458     2   565
570   568  O    -23.551782   -2.039962    6.830909     1   569   570
571   569  H    -24.436575   -1.589229    7.000315     2   568
572   570  H    -22.935815   -1.237112    6.880091     2   568
573   571  O    -21.463833    4.841985    3.972856     1   572   573
574   572  H    -22.277896    4.657854    4.563047     2   571
575   573  H    -22.008189    4.465503    3.207794     2   571
576   574  O    -17.247336    2.368499    2.852588     1   575   576
577   575  H    -17.048889    1.491226    3.306160     2   574
578   576  H    -17.931255    2.746442    3.497425     2   574
579   577  O    -22.220817   -1.238266   10.131603     1   578   579
580   578  H    -23.064110   -0.712939    9.891155     2   577
581   579  H    -22.120589   -0.603709   10.913059     2   577
582   580  O    -21.248603   -5.407620   12.743742     1   581   582
583   581  H    -22.010334   -5.948271   13.120809     2   580
584   582  H    -21.745415   -4.875994   12.038793     2   580
585   583  O    -26.759586   -0.241838   11.060607     1   584   585
586   584  H    -26.909605   -1.222627   11.306519     2   583
587   585  H    -26.626861   -0.076261   12.049722     2   583
588   586  O    -22.830132    2.491176    9.563271     1   587   588
589   587  H    -21.945339    2.040443    9.393865     2   586
590   588  H    -23.446099    1.688326    9.514089     2   586
591   589  O    -24.918081   -4.390771   12.421324     1   590   591
592   590  H    -24.104018   -4.206640   11.831133     2   589
593   591  H    -24.373725   -4.014289   13.186386     2   589
594   592  O    -29.134578   -1.917285   13.541592     1   593   594
595   593  H    -29.333025   -1.040012   13.088020     2   592
596   594  H    -28.450659   -2.295228   12.896755     2   592
597   595  O    -27.213479   -2.930922   11.727303     1   596   597
598   596  H    -26.370186   -3.456249   11.967751     2   595
599   597  H    -27.313707   -3.565479   10.945847     2   595
600   598  O    -28.185693    1.238432    9.115164     1   599   600
601   599  H    -27.423962    1.779083    8.738097     2   598
602   600  H    -27.688881    0.706806    9.820113     2   598
603   601  O    -22.674710   -3.927350   10.798299     1   602   603
604   602  H    -22.524691   -2.946561   10.552387     2   601
605   603  H    -22.807435   -4.092927    9.809184     2   601
606   604  O    -26.604164   -6.660364   12.295635     1   605   606
607   605  H    -27.488957   -6.209631   12.465041     2   604
608   606  H    -25.988197   -5.857514   12.344817     2   604
609   607  O    -24.516215    0.221583    9.437582     1   608   609
610   608  H    -25.330278    0.037452   10.027773     2   607
611   609  H    -25.060571   -0.154899    8.672520     2   607
612   610  O    -20.299718   -2.251903    8.317314     1   611   612
613   611  H    -20.101271   -3.129176    8.770886     2   610
614   612  H    -20.983637   -1.873960    8.962151     2   610
615   613  O    -16.116052   19.779153   -6.262577     1   614   615
616   614  H    -16.959345   20.304480   -6.503025     2   613
617   615  H    -16.015824   20.413710   -5.481121     2   613
618   616  O    -15.143838   15.609799   -3.650438     1   617   618
619   617  H    -15.905569   15.069148   -3.273371     2   616
620   618  H    -15.640650   16.141425   -4.355387     2   616
621   619  O    -20.654821   20.775581   -5.333573     1   620   621
622   620  H    -20.804840   19.794792   -5.087661     2   619
623   621  H    -20.522096   20.941158   -4.344458     2   619
624   622  O    -16.725367   23.508595   -6.830909     1   623   624
625   623  H    -15.840574   23.057862   -7.000315     2   622
626   624  H    -17.341334   22.705745   -6.880091     2   622
627   625  O    -18.813316   16.626648   -3.972856     1   626   627
628   626  H    -17.999253   16.810779   -4.563047     2   625
629   627  H    -18.268960   17.003130   -3.207794     2   625
630   628  O    -23.029813   19.100134   -2.852588     1   629   630
631   629  H    -23.228260   19.977407   -3.306160     2   628
632   630  H    -22.345894   18.722191   -3.497425     2   628
633   631  O    -21.108714   18.086497   -4.666877     1   632   633
634   632  H    -20.265421   17.561170   -4.426429     2   631
635   633  H    -21.208942   17.451940   -5.448333     2   631
636   634  O    -22.080928   22.255851   -7.279016     1   635   636
637   635  H    -21.319197   22.796502   -7.656083     2   634
638   636  H    -21.584116   21.724225   -6.574067     2   634
639   637  O    -16.569945   17.090069   -5.595881     1   638   639
640   638  H    -16.419926   18.070858   -5.841793     2   637
641   639  H    -16.702670   16.924492   -6.584996     2   637
642   640  O    -20.499399   14.357055   -4.098545     1   641   642
643   641  H    -21.384192   14.807788   -3.929139     2   640
644   642  H    -19.883432   15.159905   -4.049363     2   640
645   643  O    -18.411450   21.239002   -6.956598     1   644   645
646   644  H    -19.225513   21.054871   -6.366407     2   643
647   645  H    -18.955806   20.862520   -7.721660     2   643
648   646  O    -14.194953   18.765516   -8.076866     1   647   648
649   647  H    -13.996506   17.888243   -7.623294     2   646
650   648  H    -14.878872   19.143459   -7.432029     2   646
651   649  O    -19.168435   15.158750   -0.797850     1   650   651
652   650  H    -20.011728   15.684077   -1.038298     2   649
653   651  H    -19.068207   15.793307   -0.016394     2   649
654   652  O    -18.196221   10.989396    1.814289     1   653   654
655   653  H    -18.957952   10.448745    2.191356     2   652
656   654  H    -18.693033   11.521022    1.109340     2   652
657   655  O    -23.707204   16.155178    0.131154     1   656   657
658   656  H    -23.857223   15.174389    0.377066     2   655
659   657  H    -23.574479   16.320755    1.120269     2   655
660   658  O    -19.777750   18.888192   -1.366182     1   659   660
661   659  H    -18.892957   18.437459   -1.535588     2   658
662   660  H    -20.393717   18.085342   -1.415364     2   658
663   661  O    -21.865699   12.006245    1.491871     1   662   663
664   662  H    -21.051636   12.190376    0.901680     2   661
665   663  H    -21.321343   12.382727    2.256933     2   661
666   664  O    -26.082196   14.479731    2.612139     1   665   666
667   665  H    -26.280643   15.357004    2.158567     2   664
668   666  H    -25.398277   14.101788    1.967302     2   664
669   667  O    -24.161097   13.466094    0.797850     1   668   669
670   668  H    -23.317804   12.940767    1.038298     2   667
671   669  H    -24.261325   12.831537    0.016394     2   667
672   670  O    -25.133311   17.635448   -1.814289     1   671   672
673   671  H    -24.371580   18.176099   -2.191356     2   670
674   672  H    -24.636499   17.103822   -1.109340     2   670
675   673  O    -19.622328   12.469666   -0.131154     1   674   675
676   674  H    -19.472309   13.450455   -0.377066     2   673
677   675  H    -19.755053   12.304089   -1.120269     2   673
678   676  O    -23.551782    9.736652    1.366182     1   677   678
679   677  H    -24.436575   10.187385    1.535588     2   676
680   678  H    -22.935815   10.539502    1.415364     2   676
681   679  O    -21.463833   16.618599   -1.491871     1   680   681
682   680  H    -22.277896   16.434468   -0.901680     2   679
683   681  H    -22.008189   16.242117   -2.256933     2   679
684   682  O    -17.247336   14.145113   -2.612139     1   683   684
685   683  H    -17.048889   13.267840   -2.158567     2   682
686   684  H    -17.931255   14.523056   -1.967302     2   682
687   685  O    -22.220817   10.538348    4.666877     1   686   687
688   686  H    -23.064110   11.063675    4.426429     2   685
689   687  H    -22.120589   11.172905    5.448333     2   685
690   688  O    -21.248603    6.368994    7.279016     1   689   690
691   689  H    -22.010334    5.828343    7.656083     2   688
692   690  H    -21.745415    6.900620    6.574067     2   688
693   691  O    -26.759586   11.534776    5.595881     1   692   693
694   692  H    -26.909605   10.553987    5.841793     2   691
695   693  H    -26.626861   11.700353    6.584996     2   691
696   694  O    -22.830132   14.267790    4.098545     1   695   696
697   695  H    -21.945339   13.817057    3.929139     2   694
698   696  H    -23.446099   13.464940    4.049363     2   694
699   697  O    -24.918081    7.385843    6.956598     1   698   699
700   698  H    -24.104018    7.569974    6.366407     2   697
701   699  H    -24.373725    7.762325    7.721660     2   697
702   700  O    -29.134578    9.859329    8.076866     1   701   702
703   701  H    -29.333025   10.736602    7.623294     2   700
704   702  H    -28.450659    9.481386    7.432029     2   700
705   703  O    -27.213479    8.845692    6.262577     1   704   705
706   704  H    -26.370186    8.320365    6.503025     2   703
707   705  H    -27.313707    8.211135    5.481121     2   703
708   706  O    -28.185693   13.015046    3.650438     1   707   708
709   707  H    -27.423962   13.555697    3.273371     2   706
710   708  H    -27.688881   12.483420    4.355387     2   706
711   709  O    -22.674710    7.849264    5.333573     1   710   711
712   710  H    -22.524691    8.830053    5.087661     2   709
713   711  H    -22.807435    7.683687    4.344458     2   709
714   712  O    -26.604164    5.116250    6.830909     1   713   714
715   713  H    -27.488957    5.566983    7.000315     2   712
716   714  H    -25.988197    5.919100    6.880091     2   712
717   715  O    -24.516215   11.998197    3.972856     1   716   717
718   716  H    -25.330278   11.814066    4.563047     2   715
719   717  H    -25.060571   11.621715    3.207794     2   715
720   718  O    -20.299718    9.524711    2.852588     1   719   720
721   719  H    -20.101271    8.647438    3.306160     2   718
722   720  H    -20.983637    9.902654    3.497425     2   718
723   721  O    -25.273200    5.917945   10.131603     1   722   723
724   722  H    -26.116493    6.443272    9.891155     2   721
725   723  H    -25.172972    6.552502   10.913059     2   721
726   724  O    -24.300986    1.748591   12.743742     1   725   726
727   725  H    -25.062717    1.207940   13.120809     2   724
728   726  H    -24.797798    2.280217   12.038793     2   724
729   727  O    -29.811969    6.914373   11.060607     1   728   729
730   728  H    -29.961988    5.933584   11.306519     2   727
731   729  H    -29.679244    7.079950   12.049722     2   727
732   730  O    -25.882515    9.647387    9.563271     1   731   732
733   731  H    -24.997722    9.196654    9.393865     2   730
734   732  H    -26.498482    8.844537    9.514089     2   730
735   733  O    -27.970464    2.765440   12.421324     1   734   735
736   734  H    -27.156401    2.949571   11.831133     2   733
737   735  H    -27.426108    3.141922   13.186386     2   733
738   736  O    -32.186961    5.238926   13.541592     1   737   738
739   737  H    -32.385408    6.116199   13.088020     2   736
740   738  H    -31.503042    4.860983   12.896755     2   736
741   739  O    -30.265862    4.225289   11.727303     1   740   741
742   740  H    -29.422569    3.699962   11.967751     2   739
743   741  H    -30.366090    3.590732   10.945847     2   739
744   742  O    -31.238076    8.394643    9.115164     1   743   744
745   743  H    -30.476345    8.935294    8.738097     2   742
746   744  H    -30.741264    7.863017    9.820113     2   742
747   745  O    -25.727093    3.228861   10.798299     1   746   747
748   746  H    -25.577074    4.209650   10.552387     2   745
749   747  H    -25.859818    3.063284    9.809184     2   745
750   748  O    -29.656547    0.495847   12.295635     1   749   750
751   749  H    -30.541340    0.946580   12.465041     2   748
752   750  H    -29.040580    1.298697   12.344817     2   748
753   751  O    -27.568598    7.377794    9.437582     1   752   753
754   752  H    -28.382661    7.193663   10.027773     2   751
755   753  H    -28.112954    7.001312    8.672520     2   751
756   754  O    -23.352101    4.904308    8.317314     1   755   756
757   755  H    -23.153654    4.027035    8.770886     2   754
758   756  H    -24.036020    5.282251    8.962151     2   754
759   757  O    -19.168435   26.935365   -6.262577     1   758   759
760   758  H    -20.011728   27.460692   -6.503025     2   757
761   759  H    -19.068207   27.569922   -5.481121     2   757
762   760  O    -18.196221   22.766011   -3.650438     1   761   762
763   761  H    -18.957952   22.225360   -3.273371     2   760
764   762  H    -18.693033   23.297637   -4.355387     2   760
765   763  O    -23.707204   27.931793   -5.333573     1   764   765
766   764  H    -23.857223   26.951004   -5.087661     2   763
767   765  H    -23.574479   28.097370   -4.344458     2   763
768   766  O    -19.777750   30.664807   -6.830909     1   767   768
769   767  H    -18.892957   30.214074   -7.000315     2   766
770   768  H    -20.393717   29.861957   -6.880091     2   766
771   769  O    -21.865699   23.782860   -3.972856     1   770   771
772   770  H    -21.051636   23.966991   -4.563047     2   769
773   771  H    -21.321343   24.159342   -3.207794     2   769
774   772  O    -26.082196   26.256346   -2.852588     1   773   774
775   773  H    -26.280643   27.133619   -3.306160     2   772
776   774  H    -25.398277   25.878403   -3.497425     2   772
777   775  O    -24.161097   25.242709   -4.666877     1   776   777
778   776  H    -23.317804   24.717382   -4.426429     2   775
779   777  H    -24.261325   24.608152   -5.448333     2   775
780   778  O    -25.133311   29.412063   -7.279016     1   779   780
781   779  H    -24.371580   29.952714   -7.656083     2   778
782   780  H    -24.636499   28.880437   -6.574067     2   778
783   781  O    -19.622328   24.246281   -5.595881     1   782   783
784   782  H    -19.472309   25.227070   -5.841793     2   781
785   783  H    -19.755053   24.080704   -6.584996     2   781
786   784  O    -23.551782   21.513267   -4.098545     1   785   786
787   785  H    -24.436575   21.964000   -3.929139     2   784
788   786  H    -22.935815   22.316117   -4.049363     2   784
789   787  O    -21.463833   28.395214   -6.956598     1   788   789
790   788  H    -22.277896   28.211083   -6.366407     2   787
791   789  H    -22.008189   28.018732   -7.721660     2   787
792   790  O    -17.247336   25.921728   -8.076866     1   791   792
793   791  H    -17.048889   25.044455   -7.623294     2   790
794   792  H    -17.931255   26.299671   -7.432029     2   790
795   793  O    -22.220817   22.314962   -0.797850     1   794   795
796   794  H    -23.064110   22.840289   -1.038298     2   793
797   795  H    -22.120589   22.949519   -0.016394     2   793
798   796  O    -21.248603   18.145608    1.814289     1   797   798
799   797  H    -22.010334   17.604957    2.191356     2   796
800   798  H    -21.745415   18.677234    1.109340     2   796
801   799  O    -26.759586   23.311390    0.131154     1   800   801
802   800  H    -26.909605   22.330601    0.377066     2   799
803   801  H    -26.626861   23.476967    1.120269     2   799
804   802  O    -22.830132   26.044404   -1.366182     1   803   804
805   803  H    -21.945339   25.593671   -1.535588     2   802
806   804  H    -23.446099   25.241554   -1.415364     2   802
807   805  O    -24.918081   19.162457    1.491871     1   806   807
808   806  H    -24.104018   19.346588    0.901680     2   805
809   807  H    -24.373725   19.538939    2.256933     2   805
810   808  O    -29.134578   21.635943    2.612139     1   809   810
811   809  H    -29.333025   22.513216    2.158567     2   808
812   810  H    -28.450659   21.258000    1.967302     2   808
813   811  O    -27.213479   20.622306    0.797850     1   812   813
814   812  H    -26.370186   20.096979    1.038298     2   811
815   813  H    -27.313707   19.987749    0.016394     2   811
816   814  O    -28.185693   24.791660   -1.814289     1   815   816
817   815  H    -27.423962   25.332311   -2.191356     2   814
818   816  H    -27.688881   24.260034   -1.109340     2   814
819   817  O    -22.674710   19.625878   -0.131154     1   818   819
820   818  H    -22.524691   20.606667   -0.377066     2   817
821   819  H    -22.807435   19.460301   -1.120269     2   817
822   820  O    -26.604164   16.892864    1.366182     1   821   822
823   821  H    -27.488957   17.343597    1.535588     2   820
824   822  H    -25.988197   17.695714    1.415364     2   820
825   823  O    -24.516215   23.774811   -1.491871     1   824   825
826   824  H    -25.330278   23.590680   -0.901680     2   823
827   825  H    -25.060571   23.398329   -2.256933     2   823
828   826  O    -20.299718   21.301325   -2.612139     1   827   828
829   827  H    -20.101271   20.424052   -2.158567     2   826
830   828  H    -20.983637   21.679268   -1.967302     2   826
831   829  O    -25.273200   17.694559    4.666877     1   830   831
832   830  H    -26.116493   18.219886    4.426429     2   829
833   831  H    -25.172972   18.329116    5.448333     2   829
834   832  O    -24.300986   13.525205    7.279016     1   833   834
835   833  H    -25.062717   12.984554    7.656083     2   832
836   834  H    -24.797798   14.056831    6.574067     2   832
837   835  O    -29.811969   18.690987    5.595881     1   836   837
838   836  H    -29.961988   17.710198    5.841793     2   835
839   837  H    -29.679244   18.856564    6.584996     2   835
840   838  O    -25.882515   21.424001    4.098545     1   839   840
841   839  H    -24.997722   20.973268    3.929139     2   838
842   840  H    -26.498482   20.621151    4.049363     2   838
843   841  O    -27.970464   14.542054    6.956598     1   842   843
844   842  H    -27.156401   14.726185    6.366407     2   841
845   843  H    -27.426108   14.918536    7.721660     2   841
846   844  O    -32.186961   17.015540    8.076866     1   845   846
847   845  H    -32.385408   17.892813    7.623294     2   844
848   846  H    -31.503042   16.637597    7.432029     2   844
849   847  O    -30.265862   16.001903    6.262577     1   848   849
850   848  H    -29.422569   15.476576    6.503025     2   847
851   849  H    -30.366090   15.367346    5.481121     2   847
852   850  O    -31.238076   20.171257    3.650438     1   851   852
853   851  H    -30.476345   20.711908    3.273371     2   850
854   852  H    -30.741264   19.639631    4.355387     2   850
855   853  O    -25.727093   15.005475    5.333573     1   854   855
856   854  H    -25.577074   15.986264    5.087661     2   853
857   855  H    -25.859818   14.839898    4.344458     2   853
858   856  O    -29.656547   12.272461    6.830909     1   857   858
859   857  H    -30.541340   12.723194    7.000315     2   856
860   858  H    -29.040580   13.075311    6.880091     2   856
861   859  O    -27.568598   19.154408    3.972856     1   860   861
862   860  H    -28.382661   18.970277    4.563047     2   859
863   861  H    -28.112954   18.777926    3.207794     2   859
864   862  O    -23.352101   16.680922    2.852588     1   863   864
865   863  H    -23.153654   15.803649    3.306160     2   862
866   864  H    -24.036020   17.058865    3.497425     2   862
867   865  O    -28.325583   13.074156   10.131603     1   866   867
868   866  H    -29.168876   13.599483    9.891155     2   865
869   867  H    -28.225355   13.708713   10.913059     2   865
870   868  O    -27.353369    8.904802   12.743742     1   869   870
871   869  H    -28.115100    8.364151   13.120809     2   868
872   870  H    -27.850181    9.436428   12.038793     2   868
873   871  O    -32.864352   14.070584   11.060607     1   872   873
874   872  H    -33.014371   13.089795   11.306519     2   871
875   873  H    -32.731627   14.236161   12.049722     2   871
876   874  O    -28.934898   16.803598    9.563271     1   875   876
877   875  H    -28.050105   16.352865    9.393865     2   874
878   876  H    -29.550865   16.000748    9.514089     2   874
879   877  O    -31.022847    9.921651   12.421324     1   878   879
880   878  H    -30.208784   10.105782   11.831133     2   877
881   879  H    -30.478491   10.298133   13.186386     2   877
882   880  O    -35.239344   12.395137   13.541592     1   881   882
883   881  H    -35.437791   13.272410   13.088020     2   880
884   882  H    -34.555425   12.017194   12.896755     2   880
885   883  O    -33.318245   11.381500   11.727303     1   884   885
886   884  H    -32.474952   10.856173   11.967751     2   883
887   885  H    -33.418473   10.746943   10.945847     2   883
888   886  O    -34.290459   15.550854    9.115164     1   887   888
889   887  H    -33.528728   16.091505    8.738097     2   886
890   888  H    -33.793647   15.019228    9.820113     2   886
891   889  O    -28.779476   10.385072   10.798299     1   890   891
892   890  H    -28.629457   11.365861   10.552387     2   889
893   891  H    -28.912201   10.219495    9.809184     2   889
894   892  O    -32.708930    7.652058   12.295635     1   893   894
895   893  H    -33.593723    8.102791   12.465041     2   892
896   894  H    -32.092963    8.454908   12.344817     2   892
897   895  O    -30.620981   14.534005    9.437582     1   896   897
898   896  H    -31.435044   14.349874   10.027773     2   895
899   897  H    -31.165337   14.157523    8.672520     2   895
900   898  O    -26.404484   12.060519    8.317314     1   899   900
901   899  H    -26.206037   11.183246    8.770886     2   898
902   900  H    -27.088403   12.438462    8.962151     2   898
903   901  O      3.873479   -8.845692   -6.262577     1   902   903
904   902  H      3.030186   -8.320365   -6.503025     2   901
905   903  H      3.973707   -8.211135   -5.481121     2   901
906   904  O      4.845693  -13.015046   -3.650438     1   905   906
907   905  H      4.083962  -13.555697   -3.273371     2   904
908   906  H      4.348881  -12.483420   -4.355387     2   904
909   907  O     -0.665290   -7.849264   -5.333573     1   908   909
910   908  H     -0.815309   -8.830053   -5.087661     2   907
911   909  H     -0.532565   -7.683687   -4.344458     2   907
912   910  O      3.264164   -5.116250   -6.830909     1   911   912
913   911  H      4.148957   -5.566983   -7.000315     2   910
914   912  H      2.648197   -5.919100   -6.880091     2   910
915   913  O      1.176215  -11.998197   -3.972856     1   914   915
916   914  H      1.990278  -11.814066   -4.563047     2   913
917   915  H      1.720571  -11.621715   -3.207794     2   913
918   916  O     -3.040282   -9.524711   -2.852588     1   917   918
919   917  H     -3.238729   -8.647438   -3.306160     2   916
920   918  H     -2.356363   -9.902654   -3.497425     2   916
921   919  O     -1.119183  -10.538348   -4.666877     1   920   921
922   920  H     -0.275890  -11.063675   -4.426429     2   919
923   921  H     -1.219411  -11.172905   -5.448333     2   919
924   922  O     -2.091397   -6.368994   -7.279016     1   923   924
925   923  H     -1.329666   -5.828343   -7.656083     2   922
926   924  H     -1.594585   -6.900620   -6.574067     2   922
927   925  O      3.419586  -11.534776   -5.595881     1   926   927
928   926  H      3.569605  -10.553987   -5.841793     2   925
929   927  H      3.286861  -11.700353   -6.584996     2   925
930   928  O     -0.509868  -14.267790   -4.098545     1   929   930
931   929  H     -1.394661  -13.817057   -3.929139     2   928
932   930  H      0.106099  -13.464940   -4.049363     2   928
933   931  O      1.578081   -7.385843   -6.956598     1   932   933
934   932  H      0.764018   -7.569974   -6.366407     2   931
935   933  H      1.033725   -7.762325   -7.721660     2   931
936   934  O      5.794578   -9.859329   -8.076866     1   935   936
937   935  H      5.993025  -10.736602   -7.623294     2   934
938   936  H      5.110659   -9.481386   -7.432029     2   934
939   937  O      0.821097  -13.466094   -0.797850     1   938   939
940   938  H     -0.022196  -12.940767   -1.038298     2   937
941   939  H      0.921325  -12.831537   -0.016394     2   937
942   940  O      1.793311  -17.635448    1.814289     1   941   942
943   941  H      1.031580  -18.176099    2.191356     2   940
944   942  H      1.296499  -17.103822    1.109340     2   940
945   943  O     -3.717672  -12.469666    0.131154     1   944   945
946   944  H     -3.867691  -13.450455    0.377066     2   943
947   945  H     -3.584947  -12.304089    1.120269     2   943
948   946  O      0.211782   -9.736652   -1.366182     1   947   948
949   947  H      1.096575  -10.187385   -1.535588     2   946
950   948  H     -0.404185  -10.539502   -1.415364     2   946
951   949  O     -1.876167  -16.618599    1.491871     1   950   951
952   950  H     -1.062104  -16.434468    0.901680     2   949
953   951  H     -1.331811  -16.242117    2.256933     2   949
954   952  O     -6.092664  -14.145113    2.612139     1   953   954
955   953  H     -6.291111  -13.267840    2.158567     2   952
956   954  H     -5.408745  -14.523056    1.967302     2   952
957   955  O     -4.171565  -15.158750    0.797850     1   956   957
958   956  H     -3.328272  -15.684077    1.038298     2   955
959   957  H     -4.271793  -15.793307    0.016394     2   955
960   958  O     -5.143779  -10.989396   -1.814289     1   959   960
961   959  H     -4.382048  -10.448745   -2.191356     2   958
962   960  H     -4.646967  -11.521022   -1.109340     2   958
963   961  O      0.367204  -16.155178   -0.131154     1   962   963
964   962  H      0.517223  -15.174389   -0.377066     2   961
965   963  H      0.234479  -16.320755   -1.120269     2   961
966   964  O     -3.562250  -18.888192    1.366182     1   965   966
967   965  H     -4.447043  -18.437459    1.535588     2   964
968   966  H     -2.946283  -18.085342    1.415364     2   964
969   967  O     -1.474301  -12.006245   -1.491871     1   968   969
970   968  H     -2.288364  -12.190376   -0.901680     2   967
971   969  H     -2.018657  -12.382727   -2.256933     2   967
972   970  O      2.742196  -14.479731   -2.612139     1   971   972
973   971  H      2.940643  -15.357004   -2.158567     2   970
974   972  H      2.058277  -14.101788   -1.967302     2   970
975   973  O     -2.231286  -18.086497    4.666877     1   974   975
976   974  H     -3.074579  -17.561170    4.426429     2   973
977   975  H     -2.131058  -17.451940    5.448333     2   973
978   976  O     -1.259072  -22.255851    7.279016     1   977   978
979   977  H     -2.020803  -22.796502    7.656083     2   976
980   978  H     -1.755884  -21.724225    6.574067     2   976
981   979  O     -6.770055  -17.090069    5.595881     1   980   981
982   980  H     -6.920074  -18.070858    5.841793     2   979
983   981  H     -6.637330  -16.924492    6.584996     2   979
984   982  O     -2.840601  -14.357055    4.098545     1   983   984
985   983  H     -1.955808  -14.807788    3.929139     2   982
986   984  H     -3.456568  -15.159905    4.049363     2   982
987   985  O     -4.928550  -21.239002    6.956598     1   986   987
988   986  H     -4.114487  -21.054871    6.366407     2   985
989   987  H     -4.384194  -20.862520    7.721660     2   985
990   988  O     -9.145047  -18.765516    8.076866     1   989   990
991   989  H     -9.343494  -17.888243    7.623294     2   988
992   990  H     -8.461128  -19.143459    7.432029     2   988
993   991  O     -7.223948  -19.779153    6.262577     1   992   993
994   992  H     -6.380655  -20.304480    6.503025     2   991
995   993  H     -7.324176  -20.413710    5.481121     2   991
996   994  O     -8.196162  -15.609799    3.650438     1   995   996
997   995  H     -7.434431  -15.069148    3.273371     2   994
998   996  H     -7.699350  -16.141425    4.355387     2   994
999   997  O     -2.685179  -20.775581    5.333573     1   998   999
1000   998  H     -2.535160  -19.794792    5.087661     2   997
1001   999  H     -2.817904  -20.941158    4.344458     2   997
1002  1000  O     -6.614633  -23.508595    6.830909     1  1001  1002
1003  1001  H     -7.499426  -23.057862    7.000315     2  1000
1004  1002  H     -5.998666  -22.705745    6.880091     2  1000
1005  1003  O     -4.526684  -16.626648    3.972856     1  1004  1005
1006  1004  H     -5.340747  -16.810779    4.563047     2  1003
1007  1005  H     -5.071040  -17.003130    3.207794     2  1003
1008  1006  O     -0.310187  -19.100134    2.852588     1  1007  1008
1009  1007  H     -0.111740  -19.977407    3.306160     2  1006
1010  1008  H     -0.994106  -18.722191    3.497425     2  1006
1011  1009  O     -5.283669  -22.706900   10.131603     1  1010  1011
1012  1010  H     -6.126962  -22.181573    9.891155     2  1009
1013  1011  H     -5.183441  -22.072343   10.913059     2  1009
1014  1012  O     -4.311455  -26.876254   12.743742     1  1013  1014
1015  1013  H     -5.073186  -27.416905   13.120809     2  1012
1016  1014  H     -4.808267  -26.344628   12.038793     2  1012
1017  1015  O     -9.822438  -21.710472   11.060607     1  1016  1017
1018  1016  H     -9.972457  -22.691261   11.306519     2  1015
1019  1017  H     -9.689713  -21.544895   12.049722     2  1015
1020  1018  O     -5.892984  -18.977458    9.563271     1  1019  1020
1021  1019  H     -5.008191  -19.428191    9.393865     2  1018
1022  1020  H     -6.508951  -19.780308    9.514089     2  1018
1023  1021  O     -7.980933  -25.859405   12.421324     1  1022  1023
1024  1022  H     -7.166870  -25.675274   11.831133     2  1021
1025  1023  H     -7.436577  -25.482923   13.186386     2  1021
1026  1024  O    -12.197430  -23.385919   13.541592     1  1025  1026
1027  1025  H    -12.395877  -22.508646   13.088020     2  1024
1028  1026  H    -11.513511  -23.763862   12.896755     2  1024
1029  1027  O    -10.276331  -24.399556   11.727303     1  1028  1029
1030  1028  H     -9.433038  -24.924883   11.967751     2  1027
1031  1029  H    -10.376559  -25.034113   10.945847     2  1027
1032  1030  O    -11.248545  -20.230202    9.115164     1  1031  1032
1033  1031  H    -10.486814  -19.689551    8.738097     2  1030
1034  1032  H    -10.751733  -20.761828    9.820113     2  1030
1035  1033  O     -5.737562  -25.395984   10.798299     1  1034  1035
1036  1034  H     -5.587543  -24.415195   10.552387     2  1033
1037  1035  H     -5.870287  -25.561561    9.809184     2  1033
1038  1036  O     -9.667016  -28.128998   12.295635     1  1037  1038
1039  1037  H    -10.551809  -27.678265   12.465041     2  1036
1040  1038  H     -9.051049  -27.326148   12.344817     2  1036
1041  1039  O     -7.579067  -21.247051    9.437582     1  1040  1041
1042  1040  H     -8.393130  -21.431182   10.027773     2  1039
1043  1041  H     -8.123423  -21.623533    8.672520     2  1039
1044  1042  O     -3.362570  -23.720537    8.317314     1  1043  1044
1045  1043  H     -3.164123  -24.597810    8.770886     2  1042
1046  1044  H     -4.046489  -23.342594    8.962151     2  1042
1047  1045  O      0.821097   -1.689480   -6.262577     1  1046  1047
1048  1046  H     -0.022196   -1.164153   -6.503025     2  1045
1049  1047  H      0.921325   -1.054923   -5.481121     2  1045
1050  1048  O      1.793311   -5.858834   -3.650438     1  1049  1050
1051  1049  H      1.031580   -6.399485   -3.273371     2  1048
1052  1050  H      1.296499   -5.327208   -4.355387     2  1048
1053  1051  O     -3.717672   -0.693052   -5.333573     1  1052  1053
1054  1052  H     -3.867691   -1.673841   -5.087661     2  1051
1055  1053  H     -3.584947   -0.527475   -4.344458     2  1051
1056  1054  O      0.211782    2.039962   -6.830909     1  1055  1056
1057  1055  H      1.096575    1.589229   -7.000315     2  1054
1058  1056  H     -0.404185    1.237112   -6.880091     2  1054
1059  1057  O     -1.876167   -4.841985   -3.972856     1  1058  1059
1060  1058  H     -1.062104   -4.657854   -4.563047     2  1057
1061  1059  H     -1.331811   -4.465503   -3.207794     2  1057
1062  1060  O     -6.092664   -2.368499   -2.852588     1  1061  1062
1063  1061  H     -6.291111   -1.491226   -3.306160     2  1060
1064  1062  H     -5.408745   -2.746442   -3.497425     2  1060
1065  1063  O     -4.171565   -3.382136   -4.666877     1  1064  1065
1066  1064  H     -3.328272   -3.907463   -4.426429     2  1063
1067  1065  H     -4.271793   -4.016693   -5.448333     2  1063
1068  1066  O     -5.143779    0.787218   -7.279016     1  1067  1068
1069  1067  H     -4.382048    1.327869   -7.656083     2  1066
1070  1068  H     -4.646967    0.255592   -6.574067     2  1066
1071  1069  O      0.367204   -4.378564   -5.595881     1  1070  1071
1072  1070  H      0.517223   -3.397775   -5.841793     2  1069
1073  1071  H      0.234479   -4.544141   -6.584996     2  1069
1074  1072  O     -3.562250   -7.111578   -4.098545     1  1073  1074
1075  1073  H     -4.447043   -6.660845   -3.929139     2  1072
1076  1074  H     -2.946283   -6.308728   -4.049363     2  1072
1077  1075  O     -1.474301   -0.229631   -6.956598     1  1076  1077
1078  1076  H     -2.288364   -0.413762   -6.366407     2  1075
1079  1077  H     -2.018657   -0.606113   -7.721660     2  1075
1080  1078  O      2.742196   -2.703117   -8.076866     1  1079  1080
1081  1079  H      2.940643   -3.580390   -7.623294     2  1078
1082  1080  H      2.058277   -2.325174   -7.432029     2  1078
1083  1081  O     -2.231286   -6.309883   -0.797850     1  1082  1083
1084  1082  H     -3.074579   -5.784556   -1.038298     2  1081
1085  1083  H     -2.131058   -5.675326   -0.016394     2  1081
1086  1084  O     -1.259072  -10.479237    1.814289     1  1085  1086
1087  1085  H     -2.020803  -11.019888    2.191356     2  1084
1088  1086  H     -1.755884   -9.947611    1.109340     2  1084
1089  1087  O     -6.770055   -5.313455    0.131154     1  1088  1089
1090  1088  H     -6.920074   -6.294244    0.377066     2  1087
1091  1089  H     -6.637330   -5.147878    1.120269     2  1087
1092  1090  O     -2.840601   -2.580441   -1.366182     1  1091  1092
1093  1091  H     -1.955808   -3.031174   -1.535588     2  1090
1094  1092  H     -3.456568   -3.383291   -1.415364     2  1090
1095  1093  O     -4.928550   -9.462388    1.491871     1  1094  1095
1096  1094  H     -4.114487   -9.278257    0.901680     2  1093
1097  1095  H     -4.384194   -9.085906    2.256933     2  1093
1098  1096  O     -9.145047   -6.988902    2.612139     1  1097  1098
1099  1097  H     -9.343494   -6.111629    2.158567     2  1096
1100  1098  H     -8.461128   -7.366845    1.967302     2  1096
1101  1099  O     -7.223948   -8.002539    0.797850     1  1100  1101
1102  1100  H     -6.380655   -8.527866    1.038298     2  1099
1103  1101  H     -7.324176   -8.637096    0.016394     2  1099
1104  1102  O     -8.196162   -3.833185   -1.814289     1  1103  1104
1105  1103  H     -7.434431   -3.292534   -2.191356     2  1102
1106  1104  H     -7.699350   -4.364811   -1.109340     2  1102
1107  1105  O     -2.685179   -8.998967   -0.131154     1  1106  1107
1108  1106  H     -2.535160   -8.018178   -0.377066     2  1105
1109  1107  H     -2.817904   -9.164544   -1.120269     2  1105
1110  1108  O     -6.614633  -11.731981    1.366182     1  1109  1110
1111  1109  H     -7.499426  -11.281248    1.535588     2  1108
1112  1110  H     -5.998666  -10.929131    1.415364     2  1108
1113  1111  O     -4.526684   -4.850034   -1.491871     1  1112  1113
1114  1112  H     -5.340747   -5.034165   -0.901680     2  1111
1115  1113  H     -5.071040   -5.226516   -2.256933     2  1111
1116  1114  O     -0.310187   -7.323520   -2.612139     1  1115  1116
1117  1115  H     -0.111740   -8.200793   -2.158567     2  1114
1118  1116  H     -0.994106   -6.945577   -1.967302     2  1114
1119  1117  O     -5.283669  -10.930286    4.666877     1  1118  1119
1120  1118  H     -6.126962  -10.404959    4.426429     2  1117
1121  1119  H     -5.183441  -10.295729    5.448333     2  1117
1122  1120  O     -4.311455  -15.099640    7.279016     1  1121  1122
1123  1121  H     -5.073186  -15.640291    7.656083     2  1120
1124  1122  H     -4.808267  -14.568014    6.574067     2  1120
1125  1123  O     -9.822438   -9.933858    5.595881     1  1124  1125
1126  1124  H     -9.972457  -10.914647    5.841793     2  1123
1127  1125  H     -9.689713   -9.768281    6.584996     2  1123
1128  1126  O     -5.892984   -7.200844    4.098545     1  1127  1128
1129  1127  H     -5.008191   -7.651577    3.929139     2  1126
1130  1128  H     -6.508951   -8.003694    4.049363     2  1126
1131  1129  O     -7.980933  -14.082791    6.956598     1  1130  1131
1132  1130  H     -7.166870  -13.898660    6.366407     2  1129
1133  1131  H     -7.436577  -13.706309    7.721660     2  1129
1134  1132  O    -12.197430  -11.609305    8.076866     1  1133  1134
1135  1133  H    -12.395877  -10.732032    7.623294     2  1132
1136  1134  H    -11.513511  -11.987248    7.432029     2  1132
1137  1135  O    -10.276331  -12.622942    6.262577     1  1136  1137
1138  1136  H     -9.433038  -13.148269    6.503025     2  1135
1139  1137  H    -10.376559  -13.257499    5.481121     2  1135
1140  1138  O    -11.248545   -8.453588    3.650438     1  1139  1140
1141  1139  H    -10.486814   -7.912937    3.273371     2  1138
1142  1140  H    -10.751733   -8.985214    4.355387     2  1138
1143  1141  O     -5.737562  -13.619370    5.333573     1  1142  1143
1144  1142  H     -5.587543  -12.638581    5.087661     2  1141
1145  1143  H     -5.870287  -13.784947    4.344458     2  1141
1146  1144  O     -9.667016  -16.352384    6.830909     1  1145  1146
1147  1145  H    -10.551809  -15.901651    7.000315     2  1144
1148  1146  H     -9.051049  -15.549534    6.880091     2  1144
1149  1147  O     -7.579067   -9.470437    3.972856     1  1148  1149
1150  1148  H     -8.393130   -9.654568    4.563047     2  1147
1151  1149  H     -8.123423   -9.846919    3.207794     2  1147
1152  1150  O     -3.362570  -11.943923    2.852588     1  1151  1152
1153  1151  H     -3.164123  -12.821196    3.306160     2  1150
1154  1152  H     -4.046489  -11.565980    3.497425     2  1150
1155  1153  O     -8.336052  -15.550689   10.131603     1  1154  1155
1156  1154  H     -9.179345  -15.025362    9.891155     2  1153
1157  1155  H     -8.235824  -14.916132   10.913059     2  1153
1158  1156  O     -7.363838  -19.720043   12.743742     1  1157  1158
1159  1157  H     -8.125569  -20.260694   13.120809     2  1156
1160  1158  H     -7.860650  -19.188417   12.038793     2  1156
1161  1159  O    -12.874821  -14.554261   11.060607     1  1160  1161
1162  1160  H    -13.024840  -15.535050   11.306519     2  1159
1163  1161  H    -12.742096  -14.388684   12.049722     2  1159
1164  1162  O     -8.945367  -11.821247    9.563271     1  1163  1164
1165  1163  H     -8.060574  -12.271980    9.393865     2  1162
1166  1164  H     -9.561334  -12.624097    9.514089     2  1162
1167  1165  O    -11.033316  -18.703194   12.421324     1  1166  1167
1168  1166  H    -10.219253  -18.519063   11.831133     2  1165
1169  1167  H    -10.488960  -18.326712   13.186386     2  1165
1170  1168  O    -15.249813  -16.229708   13.541592     1  1169  1170
1171  1169  H    -15.448260  -15.352435   13.088020     2  1168
1172  1170  H    -14.565894  -16.607651   12.896755     2  1168
1173  1171  O    -13.328714  -17.243345   11.727303     1  1172  1173
1174  1172  H    -12.485421  -17.768672   11.967751     2  1171
1175  1173  H    -13.428942  -17.877902   10.945847     2  1171
1176  1174  O    -14.300928  -13.073991    9.115164     1  1175  1176
1177  1175  H    -13.539197  -12.533340    8.738097     2  1174
1178  1176  H    -13.804116  -13.605617    9.820113     2  1174
1179  1177  O     -8.789945  -18.239773   10.798299     1  1178  1179
1180  1178  H     -8.639926  -17.258984   10.552387     2  1177
1181  1179  H     -8.922670  -18.405350    9.809184     2  1177
1182  1180  O    -12.719399  -20.972787   12.295635     1  1181  1182
1183  1181  H    -13.604192  -20.522054   12.465041     2  1180
1184  1182  H    -12.103432  -20.169937   12.344817     2  1180
1185  1183  O    -10.631450  -14.090840    9.437582     1  1184  1185
1186  1184  H    -11.445513  -14.274971   10.027773     2  1183
1187  1185  H    -11.175806  -14.467322    8.672520     2  1183
1188  1186  O     -6.414953  -16.564326    8.317314     1  1187  1188
1189  1187  H     -6.216506  -17.441599    8.770886     2  1186
1190  1188  H     -7.098872  -16.186383    8.962151     2  1186
1191  1189  O     -2.231286    5.466731   -6.262577     1  1190  1191
1192  1190  H     -3.074579    5.992058   -6.503025     2  1189
1193  1191  H     -2.131058    6.101288   -5.481121     2  1189
1194  1192  O     -1.259072    1.297377   -3.650438     1  1193  1194
1195  1193  H     -2.020803    0.756726   -3.273371     2  1192
1196  1194  H     -1.755884    1.829003   -4.355387     2  1192
1197  1195  O     -6.770055    6.463159   -5.333573     1  1196  1197
1198  1196  H     -6.920074    5.482370   -5.087661     2  1195
1199  1197  H     -6.637330    6.628736   -4.344458     2  1195
1200  1198  O     -2.840601    9.196173   -6.830909     1  1199  1200
1201  1199  H     -1.955808    8.745440   -7.000315     2  1198
1202  1200  H     -3.456568    8.393323   -6.880091     2  1198
1203  1201  O     -4.928550    2.314226   -3.972856     1  1202  1203
1204  1202  H     -4.114487    2.498357   -4.563047     2  1201
1205  1203  H     -4.384194    2.690708   -3.207794     2  1201
1206  1204  O     -9.145047    4.787712   -2.852588     1  1205  1206
1207  1205  H     -9.343494    5.664985   -3.306160     2  1204
1208  1206  H     -8.461128    4.409769   -3.497425     2  1204
1209  1207  O     -7.223948    3.774075   -4.666877     1  1208  1209
1210  1208  H     -6.380655    3.248748   -4.426429     2  1207
1211  1209  H     -7.324176    3.139518   -5.448333     2  1207
1212  1210  O     -8.196162    7.943429   -7.279016     1  1211  1212
1213  1211  H     -7.434431    8.484080   -7.656083     2  1210
1214  1212  H     -7.699350    7.411803   -6.574067     2  1210
1215  1213  O     -2.685179    2.777647   -5.595881     1  1214  1215
1216  1214  H     -2.535160    3.758436   -5.841793     2  1213
1217  1215  H     -2.817904    2.612070   -6.584996     2  1213
1218  1216  O     -6.614633    0.044633   -4.098545     1  1217  1218
1219  1217  H     -7.499426    0.495366   -3.929139     2  1216
1220  1218  H     -5.998666    0.847483   -4.049363     2  1216
1221  1219  O     -4.526684    6.926580   -6.956598     1  1220  1221
1222  1220  H     -5.340747    6.742449   -6.366407     2  1219
1223  1221  H     -5.071040    6.550098   -7.721660     2  1219
1224  1222  O     -0.310187    4.453094   -8.076866     1  1223  1224
1225  1223  H     -0.111740    3.575821   -7.623294     2  1222
1226  1224  H     -0.994106    4.831037   -7.432029     2  1222
1227  1225  O     -5.283669    0.846328   -0.797850     1  1226  1227
1228  1226  H     -6.126962    1.371655   -1.038298     2  1225
1229  1227  H     -5.183441    1.480885   -0.016394     2  1225
1230  1228  O     -4.311455   -3.323026    1.814289     1  1229  1230
1231  1229  H     -5.073186   -3.863677    2.191356     2  1228
1232  1230  H     -4.808267   -2.791400    1.109340     2  1228
1233  1231  O     -9.822438    1.842756    0.131154     1  1232  1233
1234  1232  H     -9.972457    0.861967    0.377066     2  1231
1235  1233  H     -9.689713    2.008333    1.120269     2  1231
1236  1234  O     -5.892984    4.575770   -1.366182     1  1235  1236
1237  1235  H     -5.008191    4.125037   -1.535588     2  1234
1238  1236  H     -6.508951    3.772920   -1.415364     2  1234
1239  1237  O     -7.980933   -2.306177    1.491871     1  1238  1239
1240  1238  H     -7.166870   -2.122046    0.901680     2  1237
1241  1239  H     -7.436577   -1.929695    2.256933     2  1237
1242  1240  O    -12.197430    0.167309    2.612139     1  1241  1242
1243  1241  H    -12.395877    1.044582    2.158567     2  1240
1244  1242  H    -11.513511   -0.210634    1.967302     2  1240
1245  1243  O    -10.276331   -0.846328    0.797850     1  1244  1245
1246  1244  H     -9.433038   -1.371655    1.038298     2  1243
1247  1245  H    -10.376559   -1.480885    0.016394     2  1243
1248  1246  O    -11.248545    3.323026   -1.814289     1  1247  1248
1249  1247  H    -10.486814    3.863677   -2.191356     2  1246
1250  1248  H    -10.751733    2.791400   -1.109340     2  1246
1251  1249  O     -5.737562   -1.842756   -0.131154     1  1250  1251
1252  1250  H     -5.587543   -0.861967   -0.377066     2  1249
1253  1251  H     -5.870287   -2.008333   -1.120269     2  1249
1254  1252  O     -9.667016   -4.575770    1.366182     1  1253  1254
1255  1253  H    -10.551809   -4.125037    1.535588     2  1252
1256  1254  H     -9.051049   -3.772920    1.415364     2  1252
1257  1255  O     -7.579067    2.306177   -1.491871     1  1256  1257
1258  1256  H     -8.393130    2.122046   -0.901680     2  1255
1259  1257  H     -8.123423    1.929695   -2.256933     2  1255
1260  1258  O     -3.362570   -0.167309   -2.612139     1  1259  1260
1261  1259  H     -3.164123   -1.044582   -2.158567     2  1258
1262  1260  H     -4.046489    0.210634   -1.967302     2  1258
1263  1261  O     -8.336052   -3.774075    4.666877     1  1262  1263
1264  1262  H     -9.179345   -3.248748    4.426429     2  1261
1265  1263  H     -8.235824   -3.139518    5.448333     2  1261
1266  1264  O     -7.363838   -7.943429    7.279016     1  1265  1266
1267  1265  H     -8.125569   -8.484080    7.656083     2  1264
1268  1266  H     -7.860650   -7.411803    6.574067     2  1264
1269  1267  O    -12.874821   -2.777647    5.595881     1  1268  1269
1270  1268  H    -13.024840   -3.758436    5.841793     2  1267
1271  1269  H    -12.742096   -2.612070    6.584996     2  1267
1272  1270  O     -8.945367   -0.044633    4.098545     1  1271  1272
1273  1271  H     -8.060574   -0.495366    3.929139     2  1270
1274  1272  H     -9.561334   -0.847483    4.049363     2  1270
1275  1273  O    -11.033316   -6.926580    6.956598     1  1274  1275
1276  1274  H    -10.219253   -6.742449    6.366407     2  1273
1277  1275  H    -10.488960   -6.550098    7.721660     2  1273
1278  1276  O    -15.249813   -4.453094    8.076866     1  1277  1278
1279  1277  H    -15.448260   -3.575821    7.623294     2  1276
1280  1278  H    -14.565894   -4.831037    7.432029     2  1276
1281  1279  O    -13.328714   -5.466731    6.262577     1  1280  1281
1282  1280  H    -12.485421   -5.992058    6.503025     2  1279
1283  1281  H    -13.428942   -6.101288    5.481121     2  1279
1284  1282  O    -14.300928   -1.297377    3.650438     1  1283  1284
1285  1283  H    -13.539197   -0.756726    3.273371     2  1282
1286  1284  H    -13.804116   -1.829003    4.355387     2  1282
1287  1285  O     -8.789945   -6.463159    5.333573     1  1286  1287
1288  1286  H     -8.639926   -5.482370    5.087661     2  1285
1289  1287  H     -8.922670   -6.628736    4.344458     2  1285
1290  1288  O    -12.719399   -9.196173    6.830909     1  1289  1290
1291  1289  H    -13.604192   -8.745440    7.000315     2  1288
1292  1290  H    -12.103432   -8.393323    6.880091     2  1288
1293  1291  O    -10.631450   -2.314226    3.972856     1  1292  1293
1294  1292  H    -11.445513   -2.498357    4.563047     2  1291
1295  1293  H    -11.175806   -2.690708    3.207794     2  1291
1296  1294  O     -6.414953   -4.787712    2.852588     1  1295  1296
1297  1295  H     -6.216506   -5.664985    3.306160     2  1294
1298  1296  H     -7.098872   -4.409769    3.497425     2  1294
1299  1297  O    -11.388435   -8.394478   10.131603     1  1298  1299
1300  1298  H    -12.231728   -7.869151    9.891155     2  1297
1301  1299  H    -11.288207   -7.759921   10.913059     2  1297
1302  1300  O    -10.416221  -12.563832   12.743742     1  1301  1302
1303  1301  H    -11.177952  -13.104483   13.120809     2  1300
1304  1302  H    -10.913033  -12.032206   12.038793     2  1300
1305  1303  O    -15.927204   -7.398050   11.060607     1  1304  1305
1306  1304  H    -16.077223   -8.378839   11.306519     2  1303
1307  1305  H    -15.794479   -7.232473   12.049722     2  1303
1308  1306  O    -11.997750   -4.665036    9.563271     1  1307  1308
1309  1307  H    -11.112957   -5.115769    9.393865     2  1306
1310  1308  H    -12.613717   -5.467886    9.514089     2  1306
1311  1309  O    -14.085699  -11.546983   12.421324     1  1310  1311
1312  1310  H    -13.271636  -11.362852   11.831133     2  1309
1313  1311  H    -13.541343  -11.170501   13.186386     2  1309
1314  1312  O    -18.302196   -9.073497   13.541592     1  1313  1314
1315  1313  H    -18.500643   -8.196224   13.088020     2  1312
1316  1314  H    -17.618277   -9.451440   12.896755     2  1312
1317  1315  O    -16.381097  -10.087134   11.727303     1  1316  1317
1318  1316  H    -15.537804  -10.612461   11.967751     2  1315
1319  1317  H    -16.481325  -10.721691   10.945847     2  1315
1320  1318  O    -17.353311   -5.917780    9.115164     1  1319  1320
1321  1319  H    -16.591580   -5.377129    8.738097     2  1318
1322  1320  H    -16.856499   -6.449406    9.820113     2  1318
1323  1321  O    -11.842328  -11.083562   10.798299     1  1322  1323
1324  1322  H    -11.692309  -10.102773   10.552387     2  1321
1325  1323  H    -11.975053  -11.249139    9.809184     2  1321
1326  1324  O    -15.771782  -13.816576   12.295635     1  1325  1326
1327  1325  H    -16.656575  -13.365843   12.465041     2  1324
1328  1326  H    -15.155815  -13.013726   12.344817     2  1324
1329  1327  O    -13.683833   -6.934629    9.437582     1  1328  1329
1330  1328  H    -14.497896   -7.118760   10.027773     2  1327
1331  1329  H    -14.228189   -7.311111    8.672520     2  1327
1332  1330  O     -9.467336   -9.408115    8.317314     1  1331  1332
1333  1331  H     -9.268889  -10.285388    8.770886     2  1330
1334  1332  H    -10.151255   -9.030172    8.962151     2  1330
1335  1333  O     -5.283669   12.622942   -6.262577     1  1334  1335
1336  1334  H     -6.126962   13.148269   -6.503025     2  1333
1337  1335  H     -5.183441   13.257499   -5.481121     2  1333
1338  1336  O     -4.311455    8.453588   -3.650438     1  1337  1338
1339  1337  H     -5.073186    7.912937   -3.273371     2  1336
1340  1338  H     -4.808267    8.985214   -4.355387     2  1336
1341  1339  O     -9.822438   13.619370   -5.333573     1  1340  1341
1342  1340  H     -9.972457   12.638581   -5.087661     2  1339
1343  1341  H     -9.689713   13.784947   -4.344458     2  1339
1344  1342  O     -5.892984   16.352384   -6.830909     1  1343  1344
1345  1343  H     -5.008191   15.901651   -7.000315     2  1342
1346  1344  H     -6.508951   15.549534   -6.880091     2  1342
1347  1345  O     -7.980933    9.470437   -3.972856     1  1346  1347
1348  1346  H     -7.166870    9.654568   -4.563047     2  1345
1349  1347  H     -7.436577    9.846919   -3.207794     2  1345
1350  1348  O    -12.197430   11.943923   -2.852588     1  1349  1350
1351  1349  H    -12.395877   12.821196   -3.306160     2  1348
1352  1350  H    -11.513511   11.565980   -3.497425     2  1348
1353  1351  O    -10.276331   10.930286   -4.666877     1  1352  1353
1354  1352  H     -9.433038   10.404959   -4.426429     2  1351
1355  1353  H    -10.376559   10.295729   -5.448333     2  1351
1356  1354  O    -11.248545   15.099640   -7.279016     1  1355  1356
1357  1355  H    -10.486814   15.640291   -7.656083     2  1354
1358  1356  H    -10.751733   14.568014   -6.574067     2  1354
1359  1357  O     -5.737562    9.933858   -5.595881     1  1358  1359
1360  1358  H     -5.587543   10.914647   -5.841793     2  1357
1361  1359  H     -5.870287    9.768281   -6.584996     2  1357
1362  1360  O     -9.667016    7.200844   -4.098545     1  1361  1362
1363  1361  H    -10.551809    7.651577   -3.929139     2  1360
1364  1362  H     -9.051049    8.003694   -4.049363     2  1360
1365  1363  O     -7.579067   14.082791   -6.956598     1  1364  1365
1366  1364  H     -8.393130   13.898660   -6.366407     2  1363
1367  1365  H     -8.123423   13.706309   -7.721660     2  1363
1368  1366  O     -3.362570   11.609305   -8.076866     1  1367  1368
1369  1367  H     -3.164123   10.732032   -7.623294     2  1366
1370  1368  H     -4.046489   11.987248   -7.432029     2  1366
1371  1369  O     -8.336052    8.002539   -0.797850     1  1370  1371
1372  1370  H     -9.179345    8.527866   -1.038298     2  1369
1373  1371  H     -8.235824    8.637096   -0.016394     2  1369
1374  1372  O     -7.363838    3.833185    1.814289     1  1373  1374
1375  1373  H     -8.125569    3.292534    2.191356     2  1372
1376  1374  H     -7.860650    4.364811    1.109340     2  1372
1377  1375  O    -12.874821    8.998967    0.131154     1  1376  1377
1378  1376  H    -13.024840    8.018178    0.377066     2  1375
1379  1377  H    -12.742096    9.164544    1.120269     2  1375
1380  1378  O     -8.945367   11.731981   -1.366182     1  1379  1380
1381  1379  H     -8.060574   11.281248   -1.535588     2  1378
1382  1380  H     -9.561334   10.929131   -1.415364     2  1378
1383  1381  O    -11.033316    4.850034    1.491871     1  1382  1383
1384  1382  H    -10.219253    5.034165    0.901680     2  1381
1385  1383  H    -10.488960    5.226516    2.256933     2  1381
1386  1384  O    -15.249813    7.323520    2.612139     1  1385  1386
1387  1385  H    -15.448260    8.200793    2.158567     2  1384
1388  1386  H    -14.565894    6.945577    1.967302     2  1384
1389  1387  O    -13.328714    6.309883    0.797850     1  1388  1389
1390  1388  H    -12.485421    5.784556    1.038298     2  1387
1391  1389  H    -13.428942    5.675326    0.016394     2  1387
1392  1390  O    -14.300928   10.479237   -1.814289     1  1391  1392
1393  1391  H    -13.539197   11.019888   -2.191356     2  1390
1394  1392  H    -13.804116    9.947611   -1.109340     2  1390
1395  1393  O     -8.789945    5.313455   -0.131154     1  1394  1395
1396  1394  H     -8.639926    6.294244   -0.377066     2  1393
1397  1395  H     -8.922670    5.147878   -1.120269     2  1393
1398  1396  O    -12.719399    2.580441    1.366182     1  1397  1398
1399  1397  H    -13.604192    3.031174    1.535588     2  1396
1400  1398  H    -12.103432    3.383291    1.415364     2  1396
1401  1399  O    -10.631450    9.462388   -1.491871     1  1400  1401
1402  1400  H    -11.445513    9.278257   -0.901680     2  1399
1403  1401  H    -11.175806    9.085906   -2.256933     2  1399
1404  1402  O     -6.414953    6.988902   -2.612139     1  1403  1404
1405  1403  H     -6.216506    6.111629   -2.158567     2  1402
1406  1404  H     -7.098872    7.366845   -1.967302     2  1402
1407  1405  O    -11.388435    3.382136    4.666877     1  1406  1407
1408  1406  H    -12.231728    3.907463    4.426429     2  1405
1409  1407  H    -11.288207    4.016693    5.448333     2  1405
1410  1408  O    -10.416221   -0.787218    7.279016     1  1409  1410
1411  1409  H    -11.177952   -1.327869    7.656083     2  1408
1412  1410  H    -10.913033   -0.255592    6.574067     2  1408
1413  1411  O    -15.927204    4.378564    5.595881     1  1412  1413
1414  1412  H    -16.077223    3.397775    5.841793     2  1411
1415  1413  H    -15.794479    4.544141    6.584996     2  1411
1416  1414  O    -11.997750    7.111578    4.098545     1  1415  1416
1417  1415  H    -11.112957    6.660845    3.929139     2  1414
1418  1416  H    -12.613717    6.308728    4.049363     2  1414
1419  1417  O    -14.085699    0.229631    6.956598     1  1418  1419
1420  1418  H    -13.271636    0.413762    6.366407     2  1417
1421  1419  H    -13.541343    0.606113    7.721660     2  1417
1422  1420  O    -18.302196    2.703117    8.076866     1  1421  1422
1423  1421  H    -18.500643    3.580390    7.623294     2  1420
1424  1422  H    -17.618277    2.325174    7.432029     2  1420
1425  1423  O    -16.381097    1.689480    6.262577     1  1424  1425
1426  1424  H    -15.537804    1.164153    6.503025     2  1423
1427  1425  H    -16.481325    1.054923    5.481121     2  1423
1428  1426  O    -17.353311    5.858834    3.650438     1  1427  1428
1429  1427  H    -16.591580    6.399485    3.273371     2  1426
1430  1428  H    -16.856499    5.327208    4.355387     2  1426
1431  1429  O    -11.842328    0.693052    5.333573     1  1430  1431
1432  1430  H    -11.692309    1.673841    5.087661     2  1429
1433  1431  H    -11.975053    0.527475    4.344458     2  1429
1434  1432  O    -15.771782   -2.039962    6.830909     1  1433  1434
1435  1433  H    -16.656575   -1.589229    7.000315     2  1432
1436  1434  H    -15.155815   -1.237112    6.880091     2  1432
1437  1435  O    -13.683833    4.841985    3.972856     1  1436  1437
1438  1436  H    -14.497896    4.657854    4.563047     2  1435
1439  1437  H    -14.228189    4.465503    3.207794     2  1435
1440  1438  O     -9.467336    2.368499    2.852588     1  1439  1440
1441  1439  H     -9.268889    1.491226    3.306160     2  1438
1442  1440  H    -10.151255    2.746442    3.497425     2  1438
1443  1441  O    -14.440817   -1.238266   10.131603     1  1442  1443
1444  1442  H    -15.284110   -0.712939    9.891155     2  1441
1445  1443  H    -14.340589   -0.603709   10.913059     2  1441
1446  1444  O    -13.468603   -5.407620   12.743742     1  1445  1446
1447  1445  H    -14.230334   -5.948271   13.120809     2  1444
1448  1446  H    -13.965415   -4.875994   12.038793     2  1444
1449  1447  O    -18.979586   -0.241838   11.060607     1  1448  1449
1450  1448  H    -19.129605   -1.222627   11.306519     2  1447
1451  1449  H    -18.846861   -0.076261   12.049722     2  1447
1452  1450  O    -15.050132    2.491176    9.563271     1  1451  1452
1453  1451  H    -14.165339    2.040443    9.393865     2  1450
1454  1452  H    -15.666099    1.688326    9.514089     2  1450
1455  1453  O    -17.138081   -4.390771   12.421324     1  1454  1455
1456  1454  H    -16.324018   -4.206640   11.831133     2  1453
1457  1455  H    -16.593725   -4.014289   13.186386     2  1453
1458  1456  O    -21.354578   -1.917285   13.541592     1  1457  1458
1459  1457  H    -21.553025   -1.040012   13.088020     2  1456
1460  1458  H    -20.670659   -2.295228   12.896755     2  1456
1461  1459  O    -19.433479   -2.930922   11.727303     1  1460  1461
1462  1460  H    -18.590186   -3.456249   11.967751     2  1459
1463  1461  H    -19.533707   -3.565479   10.945847     2  1459
1464  1462  O    -20.405693    1.238432    9.115164     1  1463  1464
1465  1463  H    -19.643962    1.779083    8.738097     2  1462
1466  1464  H    -19.908881    0.706806    9.820113     2  1462
1467  1465  O    -14.894710   -3.927350   10.798299     1  1466  1467
1468  1466  H    -14.744691   -2.946561   10.552387     2  1465
1469  1467  H    -15.027435   -4.092927    9.809184     2  1465
1470  1468  O    -18.824164   -6.660364   12.295635     1  1469  1470
1471  1469  H    -19.708957   -6.209631   12.465041     2  1468
1472  1470  H    -18.208197   -5.857514   12.344817     2  1468
1473  1471  O    -16.736215    0.221583    9.437582     1  1472  1473
1474  1472  H    -17.550278    0.037452   10.027773     2  1471
1475  1473  H    -17.280571   -0.154899    8.672520     2  1471
1476  1474  O    -12.519718   -2.251903    8.317314     1  1475  1476
1477  1475  H    -12.321271   -3.129176    8.770886     2  1474
1478  1476  H    -13.203637   -1.873960    8.962151     2  1474
1479  1477  O     -8.336052   19.779153   -6.262577     1  1478  1479
1480  1478  H     -9.179345   20.304480   -6.503025     2  1477
1481  1479  H     -8.235824   20.413710   -5.481121     2  1477
1482  1480  O     -7.363838   15.609799   -3.650438     1  1481  1482
1483  1481  H     -8.125569   15.069148   -3.273371     2  1480
1484  1482  H     -7.860650   16.141425   -4.355387     2  1480
1485  1483  O    -12.874821   20.775581   -5.333573     1  1484  1485
1486  1484  H    -13.024840   19.794792   -5.087661     2  1483
1487  1485  H    -12.742096   20.941158   -4.344458     2  1483
1488  1486  O     -8.945367   23.508595   -6.830909     1  1487  1488
1489  1487  H     -8.060574   23.057862   -7.000315     2  1486
1490  1488  H     -9.561334   22.705745   -6.880091     2  1486
1491  1489  O    -11.033316   16.626648   -3.972856     1  1490  1491
1492  1490  H    -10.219253   16.810779   -4.563047     2  1489
1493  1491  H    -10.488960   17.003130   -3.207794     2  1489
1494  1492  O    -15.249813   19.100134   -2.852588     1  1493  1494
1495  1493  H    -15.448260   19.977407   -3.306160     2  1492
1496  1494  H    -14.565894   18.722191   -3.497425     2  1492
1497  1495  O    -13.328714   18.086497   -4.666877     1  1496  1497
1498  1496  H    -12.485421   17.561170   -4.426429     2  1495
1499  1497  H    -13.428942   17.451940   -5.448333     2  1495
1500  1498  O    -14.300928   22.255851   -7.279016     1  1499  1500
1501  1499  H    -13.539197   22.796502   -7.656083     2  1498
1502  1500  H    -13.804116   21.724225   -6.574067     2  1498
1503  1501  O     -8.789945   17.090069   -5.595881     1  1502  1503
1504  1502  H     -8.639926   18.070858   -5.841793     2  1501
1505  1503  H     -8.922670   16.924492   -6.584996     2  1501
1506  1504  O    -12.719399   14.357055   -4.098545     1  1505  1506
1507  1505  H    -13.604192   14.807788   -3.929139     2  1504
1508  1506  H    -12.103432   15.159905   -4.049363     2  1504
1509  1507  O    -10.631450   21.239002   -6.956598     1  1508  1509
1510  1508  H    -11.445513   21.054871   -6.366407     2  1507
1511  1509  H    -11.175806   20.862520   -7.721660     2  1507
1512  1510  O     -6.414953   18.765516   -8.076866     1  1511  1512
1513  1511  H     -6.216506   17.888243   -7.623294     2  1510
1514  1512  H     -7.098872   19.143459   -7.432029     2  1510
1515  1513  O    -11.388435   15.158750   -0.797850     1  1514  1515
1516  1514  H    -12.231728   15.684077   -1.038298     2  1513
1517  1515  H    -11.288207   15.793307   -0.016394     2  1513
1518  1516  O    -10.416221   10.989396    1.814289     1  1517  1518
1519  1517  H    -11.177952   10.448745    2.191356     2  1516
1520  1518  H    -10.913033   11.521022    1.109340     2  1516
1521  1519  O    -15.927204   16.155178    0.131154     1  1520  1521
1522  1520  H    -16.077223   15.174389    0.377066     2  1519
1523  1521  H    -15.794479   16.320755    1.120269     2  1519
1524  1522  O    -11.997750   18.888192   -1.366182     1  1523  1524
1525  1523  H    -11.112957   18.437459   -1.535588     2  1522
1526  1524  H    -12.613717   18.085342   -1.415364     2  1522
1527  1525  O    -14.085699   12.006245    1.491871     1  1526  1527
1528  1526  H    -13.271636   12.190376    0.901680     2  1525
1529  1527  H    -13.541343   12.382727    2.256933     2  1525
1530  1528  O    -18.302196   14.479731    2.612139     1  1529  1530
1531  1529  H    -18.500643   15.357004    2.158567     2  1528
1532  1530  H    -17.618277   14.101788    1.967302     2  1528
1533  1531  O    -16.381097   13.466094    0.797850     1  1532  1533
1534  1532  H    -15.537804   12.940767    1.038298     2  1531
1535  1533  H    -16.481325   12.831537    0.016394     2  1531
1536  1534  O    -17.353311   17.635448   -1.814289     1  1535  1536
1537  1535  H    -16.591580   18.176099   -2.191356     2  1534
1538  1536  H    -16.856499   17.103822   -1.109340     2  1534
1539  1537  O    -11.842328   12.469666   -0.131154     1  1538  1539
1540  1538  H    -11.692309   13.450455   -0.377066     2  1537
1541  1539  H    -11.975053   12.304089   -1.120269     2  1537
1542  1540  O    -15.771782    9.736652    1.366182     1  1541  1542
1543  1541  H    -16.656575   10.187385    1.535588     2  1540
1544  1542  H    -15.155815   10.539502    1.415364     2  1540
1545  1543  O    -13.683833   16.618599   -1.491871     1  1544  1545
1546  1544  H    -14.497896   16.434468   -0.901680     2  1543
1547  1545  H    -14.228189   16.242117   -2.256933     2  1543
1548  1546  O     -9.467336   14.145113   -2.612139     1  1547  1548
1549  1547  H     -9.268889   13.267840   -2.158567     2  1546
1550  1548  H    -10.151255   14.523056   -1.967302     2  1546
1551  1549  O    -14.440817   10.538348    4.666877     1  1550  1551
1552  1550  H    -15.284110   11.063675    4.426429     2  1549
1553  1551  H    -14.340589   11.172905    5.448333     2  1549
1554  1552  O    -13.468603    6.368994    7.279016     1  1553  1554
1555  1553  H    -14.230334    5.828343    7.656083     2  1552
1556  1554  H    -13.965415    6.900620    6.574067     2  1552
1557  1555  O    -18.979586   11.534776    5.595881     1  1556  1557
1558  1556  H    -19.129605   10.553987    5.841793     2  1555
1559  1557  H    -18.846861   11.700353    6.584996     2  1555
1560  1558  O    -15.050132   14.267790    4.098545     1  1559  1560
1561  1559  H    -14.165339   13.817057    3.929139     2  1558
1562  1560  H    -15.666099   13.464940    4.049363     2  1558
1563  1561  O    -17.138081    7.385843    6.956598     1  1562  1563
1564  1562  H    -16.324018    7.569974    6.366407     2  1561
1565  1563  H    -16.593725    7.762325    7.721660     2  1561
1566  1564  O    -21.354578    9.859329    8.076866     1  1565  1566
1567  1565  H    -21.553025   10.736602    7.623294     2  1564
1568  1566  H    -20.670659    9.481386    7.432029     2  1564
1569  1567  O    -19.433479    8.845692    6.262577     1  1568  1569
1570  1568  H    -18.590186    8.320365    6.503025     2  1567
1571  1569  H    -19.533707    8.211135    5.481121     2  1567
1572  1570  O    -20.405693   13.015046    3.650438     1  1571  1572
1573  1571  H    -19.643962   13.555697    3.273371     2  1570
1574  1572  H    -19.908881   12.483420    4.355387     2  1570
1575  1573  O    -14.894710    7.849264    5.333573     1  1574  1575
1576  1574  H    -14.744691    8.830053    5.087661     2  1573
1577  1575  H    -15.027435    7.683687    4.344458     2  1573
1578  1576  O    -18.824164    5.116250    6.830909     1  1577  1578
1579  1577  H    -19.708957    5.566983    7.000315     2  1576
1580  1578  H    -18.208197    5.919100    6.880091     2  1576
1581  1579  O    -16.736215   11.998197    3.972856     1  1580  1581
1582  1580  H    -17.550278   11.814066    4.563047     2  1579
1583  1581  H    -17.280571   11.621715    3.207794     2  1579
1584  1582  O    -12.519718    9.524711    2.852588     1  1583  1584
1585  1583  H    -12.321271    8.647438    3.306160     2  1582
1586  1584  H    -13.203637    9.902654    3.497425     2  1582
1587  1585  O    -17.493200    5.917945   10.131603     1  1586  1587
1588  1586  H    -18.336493    6.443272    9.891155     2  1585
1589  1587  H    -17.392972    6.552502   10.913059     2  1585
1590  1588  O    -16.520986    1.748591   12.743742     1  1589  1590
1591  1589  H    -17.282717    1.207940   13.120809     2  1588
1592  1590  H    -17.017798    2.280217   12.038793     2  1588
1593  1591  O    -22.031969    6.914373   11.060607     1  1592  1593
1594  1592  H    -22.181988    5.933584   11.306519     2  1591
1595  1593  H    -21.899244    7.079950   12.049722     2  1591
1596  1594  O    -18.102515    9.647387    9.563271     1  1595  1596
1597  1595  H    -17.217722    9.196654    9.393865     2  1594
1598  1596  H    -18.718482    8.844537    9.514089     2  1594
1599  1597  O    -20.190464    2.765440   12.421324     1  1598  1599
1600  1598  H    -19.376401    2.949571   11.831133     2  1597
1601  1599  H    -19.646108    3.141922   13.186386     2  1597
1602  1600  O    -24.406961    5.238926   13.541592     1  1601  1602
1603  1601  H    -24.605408    6.116199   13.088020     2  1600
1604  1602  H    -23.723042    4.860983   12.896755     2  1600
1605  1603  O    -22.485862    4.225289   11.727303     1  1604  1605
1606  1604  H    -21.642569    3.699962   11.967751     2  1603
1607  1605  H    -22.586090    3.590732   10.945847     2  1603
1608  1606  O    -23.458076    8.394643    9.115164     1  1607  1608
1609  1607  H    -22.696345    8.935294    8.738097     2  1606
1610  1608  H    -22.961264    7.863017    9.820113     2  1606
1611  1609  O    -17.947093    3.228861   10.798299     1  1610  1611
1612  1610  H    -17.797074    4.209650   10.552387     2  1609
1613  1611  H    -18.079818    3.063284    9.809184     2  1609
1614  1612  O    -21.876547    0.495847   12.295635     1  1613  1614
1615  1613  H    -22.761340    0.946580   12.465041     2  1612
1616  1614  H    -21.260580    1.298697   12.344817     2  1612
1617  1615  O    -19.788598    7.377794    9.437582     1  1616  1617
1618  1616  H    -20.602661    7.193663   10.027773     2  1615
1619  1617  H    -20.332954    7.001312    8.672520     2  1615
1620  1618  O    -15.572101    4.904308    8.317314     1  1619  1620
1621  1619  H    -15.373654    4.027035    8.770886     2  1618
1622  1620  H    -16.256020    5.282251    8.962151     2  1618
1623  1621  O    -11.388435   26.935365   -6.262577     1  1622  1623
1624  1622  H    -12.231728   27.460692   -6.503025     2  1621
1625  1623  H    -11.288207   27.569922   -5.481121     2  1621
1626  1624  O    -10.416221   22.766011   -3.650438     1  1625  1626
1627  1625  H    -11.177952   22.225360   -3.273371     2  1624
1628  1626  H    -10.913033   23.297637   -4.355387     2  1624
1629  1627  O    -15.927204   27.931793   -5.333573     1  1628  1629
1630  1628  H    -16.077223   26.951004   -5.087661     2  1627
1631  1629  H    -15.794479   28.097370   -4.344458     2  1627
1632  1630  O    -11.997750   30.664807   -6.830909     1  1631  1632
1633  1631  H    -11.112957   30.214074   -7.000315     2  1630
1634  1632  H    -12.613717   29.861957   -6.880091     2  1630
1635  1633  O    -14.085699   23.782860   -3.972856     1  1634  1635
1636  1634  H    -13.271636   23.966991   -4.563047     2  1633
1637  1635  H    -13.541343   24.159342   -3.207794     2  1633
1638  1636  O    -18.302196   26.256346   -2.852588     1  1637  1638
1639  1637  H    -18.500643   27.133619   -3.306160     2  1636
1640  1638  H    -17.618277   25.878403   -3.497425     2  1636
1641  1639  O    -16.381097   25.242709   -4.666877     1  1640  1641
1642  1640  H    -15.537804   24.717382   -4.426429     2  1639
1643  1641  H    -16.481325   24.608152   -5.448333     2  1639
1644  1642  O    -17.353311   29.412063   -7.279016     1  1643  1644
1645  1643  H    -16.591580   29.952714   -7.656083     2  1642
1646  1644  H    -16.856499   28.880437   -6.574067     2  1642
1647  1645  O    -11.842328   24.246281   -5.595881     1  1646  1647
1648  1646  H    -11.692309   25.227070   -5.841793     2  1645
1649  1647  H    -11.975053   24.080704   -6.584996     2  1645
1650  1648  O    -15.771782   21.513267   -4.098545     1  1649  1650
1651  1649  H    -16.656575   21.964000   -3.929139     2  1648
1652  1650  H    -15.155815   22.316117   -4.049363     2  1648
1653  1651  O    -13.683833   28.395214   -6.956598     1  1652  1653
1654  1652  H    -14.497896   28.211083   -6.366407     2  1651
1655  1653  H    -14.228189   28.018732   -7.721660     2  1651
1656  1654  O     -9.467336   25.921728   -8.076866     1  1655  1656
1657  1655  H     -9.268889   25.044455   -7.623294     2  1654
1658  1656  H    -10.151255   26.299671   -7.432029     2  1654
1659  1657  O    -14.440817   22.314962   -0.797850     1  1658  1659
1660  1658  H    -15.284110   22.840289   -1.038298     2  1657
1661  1659  H    -14.340589   22.949519   -0.016394     2  1657
1662  1660  O    -13.468603   18.145608    1.814289     1  1661  1662
1663  1661  H    -14.230334   17.604957    2.191356     2  1660
1664  1662  H    -13.965415   18.677234    1.109340     2  1660
1665  1663  O    -18.979586   23.311390    0.131154     1  1664  1665
1666  1664  H    -19.129605   22.330601    0.377066     2  1663
1667  1665  H    -18.846861   23.476967    1.120269     2  1663
1668  1666  O    -15.050132   26.044404   -1.366182     1  1667  1668
1669  1667  H    -14.165339   25.593671   -1.535588     2  1666
1670  1668  H    -15.666099   25.241554   -1.415364     2  1666
1671  1669  O    -17.138081   19.162457    1.491871     1  1670  1671
1672  1670  H    -16.324018   19.346588    0.901680     2  1669
1673  1671  H    -16.593725   19.538939    2.256933     2  1669
1674  1672  O    -21.354578   21.635943    2.612139     1  1673  1674
1675  1673  H    -21.553025   22.513216    2.158567     2  1672
1676  1674  H    -20.670659   21.258000    1.967302     2  1672
1677  1675  O    -19.433479   20.622306    0.797850     1  1676  1677
1678  1676  H    -18.590186   20.096979    1.038298     2  1675
1679  1677  H    -19.533707   19.987749    0.016394     2  1675
1680  1678  O    -20.405693   24.791660   -1.814289     1  1679  1680
1681  1679  H    -19.643962   25.332311   -2.191356     2  1678
1682  1680  H    -19.908881   24.260034   -1.109340     2  1678
1683  1681  O    -14.894710   19.625878   -0.131154     1  1682  1683
1684  1682  H    -14.744691   20.606667   -0.377066     2  1681
1685  1683  H    -15.027435   19.460301   -1.120269     2  1681
1686  1684  O    -18.824164   16.892864    1.366182     1  1685  1686
1687  1685  H    -19.708957   17.343597    1.535588     2  1684
1688  1686  H    -18.208197   17.695714    1.415364     2  1684
1689  1687  O    -16.736215   23.774811   -1.491871     1  1688  1689
1690  1688  H    -17.550278   23.590680   -0.901680     2  1687
1691  1689  H    -17.280571   23.398329   -2.256933     2  1687
1692  1690  O    -12.519718   21.301325   -2.612139     1  1691  1692
1693  1691  H    -12.321271   20.424052   -2.158567     2  1690
1694  1692  H    -13.203637   21.679268   -1.967302     2  1690
1695  1693  O    -17.493200   17.694559    4.666877     1  1694  1695
1696  1694  H    -18.336493   18.219886    4.426429     2  1693
1697  1695  H    -17.392972   18.329116    5.448333     2  1693
1698  1696  O    -16.520986   13.525205    7.279016     1  1697  1698
1699  1697  H    -17.282717   12.984554    7.656083     2  1696
1700  1698  H    -17.017798   14.056831    6.574067     2  1696
1701  1699  O    -22.031969   18.690987    5.595881     1  1700  1701
1702  1700  H    -22.181988   17.710198    5.841793     2  1699
1703  1701  H    -21.899244   18.856564    6.584996     2  1699
1704  1702  O    -18.102515   21.424001    4.098545     1  1703  1704
1705  1703  H    -17.217722   20.973268    3.929139     2  1702
1706  1704  H    -18.718482   20.621151    4.049363     2  1702
1707  1705  O    -20.190464   14.542054    6.956598     1  1706  1707
1708  1706  H    -19.376401   14.726185    6.366407     2  1705
1709  1707  H    -19.646108   14.918536    7.721660     2  1705
1710  1708  O    -24.406961   17.015540    8.076866     1  1709  1710
1711  1709  H    -24.605408   17.892813    7.623294     2  1708
1712  1710  H    -23.723042   16.637597    7.432029     2  1708
1713  1711  O    -22.485862   16.001903    6.262577     1  1712  1713
1714  1712  H    -21.642569   15.476576    6.503025     2  1711
1715  1713  H    -22.586090   15.367346    5.481121     2  1711
1716  1714  O    -23.458076   20.171257    3.650438     1  1715  1716
1717  1715  H    -22.696345   20.711908    3.273371     2  1714
1718  1716  H    -22.961264   19.639631    4.355387     2  1714
1719  1717  O    -17.947093   15.005475    5.333573     1  1718  1719
1720  1718  H    -17.797074   15.986264    5.087661     2  1717
1721  1719  H    -18.079818   14.839898    4.344458     2  1717
1722  1720  O    -21.876547   12.272461    6.830909     1  1721  1722
1723  1721  H    -22.761340   12.723194    7.000315     2  1720
1724  1722  H    -21.260580   13.075311    6.880091     2  1720
1725  1723  O    -19.788598   19.154408    3.972856     1  1724  1725
1726  1724  H    -20.602661   18.970277    4.563047     2  1723
1727  1725  H    -20.332954   18.777926    3.207794     2  1723
1728  1726  O    -15.572101   16.680922    2.852588     1  1727  1728
1729  1727  H    -15.373654   15.803649    3.306160     2  1726
1730  1728  H    -16.256020   17.058865    3.497425     2  1726
1731  1729  O    -20.545583   13.074156   10.131603     1  1730  1731
1732  1730  H    -21.388876   13.599483    9.891155     2  1729
1733  1731  H    -20.445355   13.708713   10.913059     2  1729
1734  1732  O    -19.573369    8.904802   12.743742     1  1733  1734
1735  1733  H    -20.335100    8.364151   13.120809     2  1732
1736  1734  H    -20.070181    9.436428   12.038793     2  1732
1737  1735  O    -25.084352   14.070584   11.060607     1  1736  1737
1738  1736  H    -25.234371   13.089795   11.306519     2  1735
1739  1737  H    -24.951627   14.236161   12.049722     2  1735
1740  1738  O    -21.154898   16.803598    9.563271     1  1739  1740
1741  1739  H    -20.270105   16.352865    9.393865     2  1738
1742  1740  H    -21.770865   16.000748    9.514089     2  1738
1743  1741  O    -23.242847    9.921651   12.421324     1  1742  1743
1744  1742  H    -22.428784   10.105782   11.831133     2  1741
1745  1743  H    -22.698491   10.298133   13.186386     2  1741
1746  1744  O    -27.459344   12.395137   13.541592     1  1745  1746
1747  1745  H    -27.657791   13.272410   13.088020     2  1744
1748  1746  H    -26.775425   12.017194   12.896755     2  1744
1749  1747  O    -25.538245   11.381500   11.727303     1  1748  1749
1750  1748  H    -24.694952   10.856173   11.967751     2  1747
1751  1749  H    -25.638473   10.746943   10.945847     2  1747
1752  1750  O    -26.510459   15.550854    9.115164     1  1751  1752
1753  1751  H    -25.748728   16.091505    8.738097     2  1750
1754  1752  H    -26.013647   15.019228    9.820113     2  1750
1755  1753  O    -20.999476   10.385072   10.798299     1  1754  1755
1756  1754  H    -20.849457   11.365861   10.552387     2  1753
1757  1755  H    -21.132201   10.219495    9.809184     2  1753
1758  1756  O    -24.928930    7.652058   12.295635     1  1757  1758
1759  1757  H    -25.813723    8.102791   12.465041     2  1756
1760  1758  H    -24.312963    8.454908   12.344817     2  1756
1761  1759  O    -22.840981   14.534005    9.437582     1  1760  1761
1762  1760  H    -23.655044   14.349874   10.027773     2  1759
1763  1761  H    -23.385337   14.157523    8.672520     2  1759
1764  1762  O    -18.624484   12.060519    8.317314     1  1763  1764
1765  1763  H    -18.426037   11.183246    8.770886     2  1762
1766  1764  H    -19.308403   12.438462    8.962151     2  1762
1767  1765  O     11.653479   -8.845692   -6.262577     1  1766  1767
1768  1766  H     10.810186   -8.320365   -6.503025     2  1765
1769  1767  H     11.753707   -8.211135   -5.481121     2  1765
1770  1768  O     12.625693  -13.015046   -3.650438     1  1769  1770
1771  1769  H     11.863962  -13.555697   -3.273371     2  1768
1772  1770  H     12.128881  -12.483420   -4.355387     2  1768
1773  1771  O      7.114710   -7.849264   -5.333573     1  1772  1773
1774  1772  H      6.964691   -8.830053   -5.087661     2  1771
1775  1773  H      7.247435   -7.683687   -4.344458     2  1771
1776  1774  O     11.044164   -5.116250   -6.830909     1  1775  1776
1777  1775  H     11.928957   -5.566983   -7.000315     2  1774
1778  1776  H     10.428197   -5.919100   -6.880091     2  1774
1779  1777  O      8.956215  -11.998197   -3.972856     1  1778  1779
1780  1778  H      9.770278  -11.814066   -4.563047     2  1777
1781  1779  H      9.500571  -11.621715   -3.207794     2  1777
1782  1780  O      4.739718   -9.524711   -2.852588     1  1781  1782
1783  1781  H      4.541271   -8.647438   -3.306160     2  1780
1784  1782  H      5.423637   -9.902654   -3.497425     2  1780
1785  1783  O      6.660817  -10.538348   -4.666877     1  1784  1785
1786  1784  H      7.504110  -11.063675   -4.426429     2  1783
1787  1785  H      6.560589  -11.172905   -5.448333     2  1783
1788  1786  O      5.688603   -6.368994   -7.279016     1  1787  1788
1789  1787  H      6.450334   -5.828343   -7.656083     2  1786
1790  1788  H      6.185415   -6.900620   -6.574067     2  1786
1791  1789  O     11.199586  -11.534776   -5.595881     1  1790  1791
1792  1790  H     11.349605  -10.553987   -5.841793     2  1789
1793  1791  H     11.066861  -11.700353   -6.584996     2  1789
1794  1792  O      7.270132  -14.267790   -4.098545     1  1793  1794
1795  1793  H      6.385339  -13.817057   -3.929139     2  1792
1796  1794  H      7.886099  -13.464940   -4.049363     2  1792
1797  1795  O      9.358081   -7.385843   -6.956598     1  1796  1797
1798  1796  H      8.544018   -7.569974   -6.366407     2  1795
1799  1797  H      8.813725   -7.762325   -7.721660     2  1795
1800  1798  O     13.574578   -9.859329   -8.076866     1  1799  1800
1801  1799  H     13.773025  -10.736602   -7.623294     2  1798
1802  1800  H     12.890659   -9.481386   -7.432029     2  1798
1803  1801  O      8.601097  -13.466094   -0.797850     1  1802  1803
1804  1802  H      7.757804  -12.940767   -1.038298     2  1801
1805  1803  H      8.701325  -12.831537   -0.016394     2  1801
1806  1804  O      9.573311  -17.635448    1.814289     1  1805  1806
1807  1805  H      8.811580  -18.176099    2.191356     2  1804
1808  1806  H      9.076499  -17.103822    1.109340     2  1804
1809  1807  O      4.062328  -12.469666    0.131154     1  1808  1809
1810  1808  H      3.912309  -13.450455    0.377066     2  1807
1811  1809  H      4.195053  -12.304089    1.120269     2  1807
1812  1810  O      7.991782   -9.736652   -1.366182     1  1811  1812
1813  1811  H      8.876575  -10.187385   -1.535588     2  1810
1814  1812  H      7.375815  -10.539502   -1.415364     2  1810
1815  1813  O      5.903833  -16.618599    1.491871     1  1814  1815
1816  1814  H      6.717896  -16.434468    0.901680     2  1813
1817  1815  H      6.448189  -16.242117    2.256933     2  1813
1818  1816  O      1.687336  -14.145113    2.612139     1  1817  1818
1819  1817  H      1.488889  -13.267840    2.158567     2  1816
1820  1818  H      2.371255  -14.523056    1.967302     2  1816
1821  1819  O      3.608435  -15.158750    0.797850     1  1820  1821
1822  1820  H      4.451728  -15.684077    1.038298     2  1819
1823  1821  H      3.508207  -15.793307    0.016394     2  1819
1824  1822  O      2.636221  -10.989396   -1.814289     1  1823  1824
1825  1823  H      3.397952  -10.448745   -2.191356     2  1822
1826  1824  H      3.133033  -11.521022   -1.109340     2  1822
1827  1825  O      8.147204  -16.155178   -0.131154     1  1826  1827
1828  1826  H      8.297223  -15.174389   -0.377066     2  1825
1829  1827  H      8.014479  -16.320755   -1.120269     2  1825
1830  1828  O      4.217750  -18.888192    1.366182     1  1829  1830
1831  1829  H      3.332957  -18.437459    1.535588     2  1828
1832  1830  H      4.833717  -18.085342    1.415364     2  1828
1833  1831  O      6.305699  -12.006245   -1.491871     1  1832  1833
1834  1832  H      5.491636  -12.190376   -0.901680     2  1831
1835  1833  H      5.761343  -12.382727   -2.256933     2  1831
1836  1834  O     10.522196  -14.479731   -2.612139     1  1835  1836
1837  1835  H     10.720643  -15.357004   -2.158567     2  1834
1838  1836  H      9.838277  -14.101788   -1.967302     2  1834
1839  1837  O      5.548714  -18.086497    4.666877     1  1838  1839
1840  1838  H      4.705421  -17.561170    4.426429     2  1837
1841  1839  H      5.648942  -17.451940    5.448333     2  1837
1842  1840  O      6.520928  -22.255851    7.279016     1  1841  1842
1843  1841  H      5.759197  -22.796502    7.656083     2  1840
1844  1842  H      6.024116  -21.724225    6.574067     2  1840
1845  1843  O      1.009945  -17.090069    5.595881     1  1844  1845
1846  1844  H      0.859926  -18.070858    5.841793     2  1843
1847  1845  H      1.142670  -16.924492    6.584996     2  1843
1848  1846  O      4.939399  -14.357055    4.098545     1  1847  1848
1849  1847  H      5.824192  -14.807788    3.929139     2  1846
1850  1848  H      4.323432  -15.159905    4.049363     2  1846
1851  1849  O      2.851450  -21.239002    6.956598     1  1850  1851
1852  1850  H      3.665513  -21.054871    6.366407     2  1849
1853  1851  H      3.395806  -20.862520    7.721660     2  1849
1854  1852  O     -1.365047  -18.765516    8.076866     1  1853  1854
1855  1853  H     -1.563494  -17.888243    7.623294     2  1852
1856  1854  H     -0.681128  -19.143459    7.432029     2  1852
1857  1855  O      0.556052  -19.779153    6.262577     1  1856  1857
1858  1856  H      1.399345  -20.304480    6.503025     2  1855
1859  1857  H      0.455824  -20.413710    5.481121     2  1855
1860  1858  O     -0.416162  -15.609799    3.650438     1  1859  1860
1861  1859  H      0.345569  -15.069148    3.273371     2  1858
1862  1860  H      0.080650  -16.141425    4.355387     2  1858
1863  1861  O      5.094821  -20.775581    5.333573     1  1862  1863
1864  1862  H      5.244840  -19.794792    5.087661     2  1861
1865  1863  H      4.962096  -20.941158    4.344458     2  1861
1866  1864  O      1.165367  -23.508595    6.830909     1  1865  1866
1867  1865  H      0.280574  -23.057862    7.000315     2  1864
1868  1866  H      1.781334  -22.705745    6.880091     2  1864
1869  1867  O      3.253316  -16.626648    3.972856     1  1868  1869
1870  1868  H      2.439253  -16.810779    4.563047     2  1867
1871  1869  H      2.708960  -17.003130    3.207794     2  1867
1872  1870  O      7.469813  -19.100134    2.852588     1  1871  1872
1873  1871  H      7.668260  -19.977407    3.306160     2  1870
1874  1872  H      6.785894  -18.722191    3.497425     2  1870
1875  1873  O      2.496331  -22.706900   10.131603     1  1874  1875
1876  1874  H      1.653038  -22.181573    9.891155     2  1873
1877  1875  H      2.596559  -22.072343   10.913059     2  1873
1878  1876  O      3.468545  -26.876254   12.743742     1  1877  1878
1879  1877  H      2.706814  -27.416905   13.120809     2  1876
1880  1878  H      2.971733  -26.344628   12.038793     2  1876
1881  1879  O     -2.042438  -21.710472   11.060607     1  1880  1881
1882  1880  H     -2.192457  -22.691261   11.306519     2  1879
1883  1881  H     -1.909713  -21.544895   12.049722     2  1879
1884  1882  O      1.887016  -18.977458    9.563271     1  1883  1884
1885  1883  H      2.771809  -19.428191    9.393865     2  1882
1886  1884  H      1.271049  -19.780308    9.514089     2  1882
1887  1885  O     -0.200933  -25.859405   12.421324     1  1886  1887
1888  1886  H      0.613130  -25.675274   11.831133     2  1885
1889  1887  H      0.343423  -25.482923   13.186386     2  1885
1890  1888  O     -4.417430  -23.385919   13.541592     1  1889  1890
1891  1889  H     -4.615877  -22.508646   13.088020     2  1888
1892  1890  H     -3.733511  -23.763862   12.896755     2  1888
1893  1891  O     -2.496331  -24.399556   11.727303     1  1892  1893
1894  1892  H     -1.653038  -24.924883   11.967751     2  1891
1895  1893  H     -2.596559  -25.034113   10.945847     2  1891
1896  1894  O     -3.468545  -20.230202    9.115164     1  1895  1896
1897  1895  H     -2.706814  -19.689551    8.738097     2  1894
1898  1896  H     -2.971733  -20.761828    9.820113     2  1894
1899  1897  O      2.042438  -25.395984   10.798299     1  1898  1899
1900  1898  H      2.192457  -24.415195   10.552387     2  1897
1901  1899  H      1.909713  -25.561561    9.809184     2  1897
1902  1900  O     -1.887016  -28.128998   12.295635     1  1901  1902
1903  1901  H     -2.771809  -27.678265   12.465041     2  1900
1904  1902  H     -1.271049  -27.326148   12.344817     2  1900
1905  1903  O      0.200933  -21.247051    9.437582     1  1904  1905
1906  1904  H     -0.613130  -21.431182   10.027773     2  1903
1907  1905  H     -0.343423  -21.623533    8.672520     2  1903
1908  1906  O      4.417430  -23.720537    8.317314     1  1907  1908
1909  1907  H      4.615877  -24.597810    8.770886     2  1906
1910  1908  H      3.733511  -23.342594    8.962151     2  1906
1911  1909  O      8.601097   -1.689480   -6.262577     1  1910  1911
1912  1910  H      7.757804   -1.164153   -6.503025     2  1909
1913  1911  H      8.701325   -1.054923   -5.481121     2  1909
1914  1912  O      9.573311   -5.858834   -3.650438     1  1913  1914
1915  1913  H      8.811580   -6.399485   -3.273371     2  1912
1916  1914  H      9.076499   -5.327208   -4.355387     2  1912
1917  1915  O      4.062328   -0.693052   -5.333573     1  1916  1917
1918  1916  H      3.912309   -1.673841   -5.087661     2  1915
1919  1917  H      4.195053   -0.527475   -4.344458     2  1915
1920  1918  O      7.991782    2.039962   -6.830909     1  1919  1920
1921  1919  H      8.876575    1.589229   -7.000315     2  1918
1922  1920  H      7.375815    1.237112   -6.880091     2  1918
1923  1921  O      5.903833   -4.841985   -3.972856     1  1922  1923
1924  1922  H      6.717896   -4.657854   -4.563047     2  1921
1925  1923  H      6.448189   -4.465503   -3.207794     2  1921
1926  1924  O      1.687336   -2.368499   -2.852588     1  1925  1926
1927  1925  H      1.488889   -1.491226   -3.306160     2  1924
1928  1926  H      2.371255   -2.746442   -3.497425     2  1924
1929  1927  O      3.608435   -3.382136   -4.666877     1  1928  1929
1930  1928  H      4.451728   -3.907463   -4.426429     2  1927
1931  1929  H      3.508207   -4.016693   -5.448333     2  1927
1932  1930  O      2.636221    0.787218   -7.279016     1  1931  1932
1933  1931  H      3.397952    1.327869   -7.656083     2  1930
1934  1932  H      3.133033    0.255592   -6.574067     2  1930
1935  1933  O      8.147204   -4.378564   -5.595881     1  1934  1935
1936  1934  H      8.297223   -3.397775   -5.841793     2  1933
1937  1935  H      8.014479   -4.544141   -6.584996     2  1933
1938  1936  O      4.217750   -7.111578   -4.098545     1  1937  1938
1939  1937  H      3.332957   -6.660845   -3.929139     2  1936
1940  1938  H      4.833717   -6.308728   -4.049363     2  1936
1941  1939  O      6.305699   -0.229631   -6.956598     1  1940  1941
1942  1940  H      5.491636   -0.413762   -6.366407     2  1939
1943  1941  H      5.761343   -0.606113   -7.721660     2  1939
1944  1942  O     10.522196   -2.703117   -8.076866     1  1943  1944
1945  1943  H     10.720643   -3.580390   -7.623294     2  1942
1946  1944  H      9.838277   -2.325174   -7.432029     2  1942
1947  1945  O      5.548714   -6.309883   -0.797850     1  1946  1947
1948  1946  H      4.705421   -5.784556   -1.038298     2  1945
1949  1947  H      5.648942   -5.675326   -0.016394     2  1945
1950  1948  O      6.520928  -10.479237    1.814289     1  1949  1950
1951  1949  H      5.759197  -11.019888    2.191356     2  1948
1952  1950  H      6.024116   -9.947611    1.109340     2  1948
1953  1951  O      1.009945   -5.313455    0.131154     1  1952  1953
1954  1952  H      0.859926   -6.294244    0.377066     2  1951
1955  1953  H      1.142670   -5.147878    1.120269     2  1951
1956  1954  O      4.939399   -2.580441   -1.366182     1  1955  1956
1957  1955  H      5.824192   -3.031174   -1.535588     2  1954
1958  1956  H      4.323432   -3.383291   -1.415364     2  1954
1959  1957  O      2.851450   -9.462388    1.491871     1  1958  1959
1960  1958  H      3.665513   -9.278257    0.901680     2  1957
1961  1959  H      3.395806   -9.085906    2.256933     2  1957
1962  1960  O     -1.365047   -6.988902    2.612139     1  1961  1962
1963  1961  H     -1.563494   -6.111629    2.158567     2  1960
1964  1962  H     -0.681128   -7.366845    1.967302     2  1960
1965  1963  O      0.556052   -8.002539    0.797850     1  1964  1965
1966  1964  H      1.399345   -8.527866    1.038298     2  1963
1967  1965  H      0.455824   -8.637096    0.016394     2  1963
1968  1966  O     -0.416162   -3.833185   -1.814289     1  1967  1968
1969  1967  H      0.345569   -3.292534   -2.191356     2  1966
1970  1968  H      0.080650   -4.364811   -1.109340     2  1966
1971  1969  O      5.094821   -8.998967   -0.131154     1  1970  1971
1972  1970  H      5.244840   -8.018178   -0.377066     2  1969
1973  1971  H      4.962096   -9.164544   -1.120269     2  1969
1974  1972  O      1.165367  -11.731981    1.366182     1  1973  1974
1975  1973  H      0.280574  -11.281248    1.535588     2  1972
1976  1974  H      1.781334  -10.929131    1.415364     2  1972
1977  1975  O      3.253316   -4.850034   -1.491871     1  1976  1977
1978  1976  H      2.439253   -5.034165   -0.901680     2  1975
1979  1977  H      2.708960   -5.226516   -2.256933     2  1975
1980  1978  O      7.469813   -7.323520   -2.612139     1  1979  1980
1981  1979  H      7.668260   -8.200793   -2.158567     2  1978
1982  1980  H      6.785894   -6.945577   -1.967302     2  1978
1983  1981  O      2.496331  -10.930286    4.666877     1  1982  1983
1984  1982  H      1.653038  -10.404959    4.426429     2  1981
1985  1983  H      2.596559  -10.295729    5.448333     2  1981
1986  1984  O      3.468545  -15.099640    7.279016     1  1985  1986
1987  1985  H      2.706814  -15.640291    7.656083     2  1984
1988  1986  H      2.971733  -14.568014    6.574067     2  1984
1989  1987  O     -2.042438   -9.933858    5.595881     1  1988  1989
1990  1988  H     -2.192457  -10.914647    5.841793     2  1987
1991  1989  H     -1.909713   -9.768281    6.584996     2  1987
1992  1990  O      1.887016   -7.200844    4.098545     1  1991  1992
1993  1991  H      2.771809   -7.651577    3.929139     2  1990
1994  1992  H      1.271049   -8.003694    4.049363     2  1990
1995  1993  O     -0.200933  -14.082791    6.956598     1  1994  1995
1996  1994  H      0.613130  -13.898660    6.366407     2  1993
1997  1995  H      0.343423  -13.706309    7.721660     2  1993
1998  1996  O     -4.417430  -11.609305    8.076866     1  1997  1998
1999  1997  H     -4.615877  -10.732032    7.623294     2  1996
2000  1998  H     -3.733511  -11.987248    7.432029     2  1996
2001  1999  O     -2.496331  -12.622942    6.262577     1  2000  2001
2002  2000  H     -1.653038  -13.148269    6.503025     2  1999
2003  2001  H     -2.596559  -13.257499    5.481121     2  1999
2004  2002  O     -3.468545   -8.453588    3.650438     1  2003  2004
2005  2003  H     -2.706814   -7.912937    3.273371     2  2002
2006  2004  H     -2.971733   -8.985214    4.355387     2  2002
2007  2005  O      2.042438  -13.619370    5.333573     1  2006  2007
2008  2006  H      2.192457  -12.638581    5.087661     2  2005
2009  2007  H      1.909713  -13.784947    4.344458     2  2005
2010  2008  O     -1.887016  -16.352384    6.830909     1  2009  2010
2011  2009  H     -2.771809  -15.901651    7.000315     2  2008
2012  2010  H     -1.271049  -15.549534    6.880091     2  2008
2013  2011  O      0.200933   -9.470437    3.972856     1  2012  2013
2014  2012  H     -0.613130   -9.654568    4.563047     2  2011
2015  2013  H     -0.343423   -9.846919    3.207794     2  2011
2016  2014  O      4.417430  -11.943923    2.852588     1  2015  2016
2017  2015  H      4.615877  -12.821196    3.306160     2  2014
2018  2016  H      3.733511  -11.565980    3.497425     2  2014
2019  2017  O     -0.556052  -15.550689   10.131603     1  2018  2019
2020  2018  H     -1.399345  -15.025362    9.891155     2  2017
2021  2019  H     -0.455824  -14.916132   10.913059     2  2017
2022  2020  O      0.416162  -19.720043   12.743742     1  2021  2022
2023  2021  H     -0.345569  -20.260694   13.120809     2  2020
2024  2022  H     -0.080650  -19.188417   12.038793     2  2020
2025  2023  O     -5.094821  -14.554261   11.060607     1  2024  2025
2026  2024  H     -5.244840  -15.535050   11.306519     2  2023
2027  2025  H     -4.962096  -14.388684   12.049722     2  2023
2028  2026  O     -1.165367  -11.821247    9.563271     1  2027  2028
2029  2027  H     -0.280574  -12.271980    9.393865     2  2026
2030  2028  H     -1.781334  -12.624097    9.514089     2  2026
2031  2029  O     -3.253316  -18.703194   12.421324     1  2030  2031
2032  2030  H     -2.439253  -18.519063   11.831133     2  2029
2033  2031  H     -2.708960  -18.326712   13.186386     2  2029
2034  2032  O     -7.469813  -16.229708   13.541592     1  2033  2034
2035  2033  H     -7.668260  -15.352435   13.088020     2  2032
2036  2034  H     -6.785894  -16.607651   12.896755     2  2032
2037  2035  O     -5.548714  -17.243345   11.727303     1  2036  2037
2038  2036  H     -4.705421  -17.768672   11.967751     2  2035
2039  2037  H     -5.648942  -17.877902   10.945847     2  2035
2040  2038  O     -6.520928  -13.073991    9.115164     1  2039  2040
2041  2039  H     -5.759197  -12.533340    8.738097     2  2038
2042  2040  H     -6.024116  -13.605617    9.820113     2  2038
2043  2041  O     -1.009945  -18.239773   10.798299     1  2042  2043
2044  2042  H     -0.859926  -17.258984   10.552387     2  2041
2045  2043  H     -1.142670  -18.405350    9.809184     2  2041
2046  2044  O     -4.939399  -20.972787   12.295635     1  2045  2046
2047  2045  H     -5.824192  -20.522054   12.465041     2  2044
2048  2046  H     -4.323432  -20.169937   12.344817     2  2044
2049  2047  O     -2.851450  -14.090840    9.437582     1  2048  2049
2050  2048  H     -3.665513  -14.274971   10.027773     2  2047
2051  2049  H     -3.395806  -14.467322    8.672520     2  2047
2052  2050  O      1.365047  -16.564326    8.317314     1  2051  2052
2053  2051  H      1.563494  -17.441599    8.770886     2  2050
2054  2052  H      0.681128  -16.186383    8.962151     2  2050
2055  2053  O      5.548714    5.466731   -6.262577     1  2054  2055
2056  2054  H      4.705421    5.992058   -6.503025     2  2053
2057  2055  H      5.648942    6.101288   -5.481121     2  2053
2058  2056  O      6.520928    1.297377   -3.650438     1  2057  2058
2059  2057  H      5.759197    0.756726   -3.273371     2  2056
2060  2058  H      6.024116    1.829003   -4.355387     2  2056
2061  2059  O      1.009945    6.463159   -5.333573     1  2060  2061
2062  2060  H      0.859926    5.482370   -5.087661     2  2059
2063  2061  H      1.142670    6.628736   -4.344458     2  2059
2064  2062  O      4.939399    9.196173   -6.830909     1  2063  2064
2065  2063  H      5.824192    8.745440   -7.000315     2  2062
2066  2064  H      4.323432    8.393323   -6.880091     2  2062
2067  2065  O      2.851450    2.314226   -3.972856     1  2066  2067
2068  2066  H      3.665513    2.498357   -4.563047     2  2065
2069  2067  H      3.395806    2.690708   -3.207794     2  2065
2070  2068  O     -1.365047    4.787712   -2.852588     1  2069  2070
2071  2069  H     -1.563494    5.664985   -3.306160     2  2068
2072  2070  H     -0.681128    4.409769   -3.497425     2  2068
2073  2071  O      0.556052    3.774075   -4.666877     1  2072  2073
2074  2072  H      1.399345    3.248748   -4.426429     2  2071
2075  2073  H      0.455824    3.139518   -5.448333     2  2071
2076  2074  O     -0.416162    7.943429   -7.279016     1  2075  2076
2077  2075  H      0.345569    8.484080   -7.656083     2  2074
2078  2076  H      0.080650    7.411803   -6.574067     2  2074
2079  2077  O      5.094821    2.777647   -5.595881     1  2078  2079
2080  2078  H      5.244840    3.758436   -5.841793     2  2077
2081  2079  H      4.962096    2.612070   -6.584996     2  2077
2082  2080  O      1.165367    0.044633   -4.098545     1  2081  2082
2083  2081  H      0.280574    0.495366   -3.929139     2  2080
2084  2082  H      1.781334    0.847483   -4.049363     2  2080
2085  2083  O      3.253316    6.926580   -6.956598     1  2084  2085
2086  2084  H      2.439253    6.742449   -6.366407     2  2083
2087  2085  H      2.708960    6.550098   -7.721660     2  2083
2088  2086  O      7.469813    4.453094   -8.076866     1  2087  2088
2089  2087  H      7.668260    3.575821   -7.623294     2  2086
2090  2088  H      6.785894    4.831037   -7.432029     2  2086
2091  2089  O     -0.556052   -3.774075    4.666877     1  2090  2091
2092  2090  H     -1.399345   -3.248748    4.426429     2  2089
2093  2091  H     -0.455824   -3.139518    5.448333     2  2089
2094  2092  O      0.416162   -7.943429    7.279016     1  2093  2094
2095  2093  H     -0.345569   -8.484080    7.656083     2  2092
2096  2094  H     -0.080650   -7.411803    6.574067     2  2092
2097  2095  O     -5.094821   -2.777647    5.595881     1  2096  2097
2098  2096  H     -5.244840   -3.758436    5.841793     2  2095
2099  2097  H     -4.962096   -2.612070    6.584996     2  2095
2100  2098  O     -1.165367   -0.044633    4.098545     1  2099  2100
2101  2099  H     -0.280574   -0.495366    3.929139     2  2098
2102  2100  H     -1.781334   -0.847483    4.049363     2  2098
2103  2101  O     -3.253316   -6.926580    6.956598     1  2102  2103
2104  2102  H     -2.439253   -6.742449    6.366407     2  2101
2105  2103  H     -2.708960   -6.550098    7.721660     2  2101
2106  2104  O     -7.469813   -4.453094    8.076866     1  2105  2106
2107  2105  H     -7.668260   -3.575821    7.623294     2  2104
2108  2106  H     -6.785894   -4.831037    7.432029     2  2104
2109  2107  O     -5.548714   -5.466731    6.262577     1  2108  2109
2110  2108  H     -4.705421   -5.992058    6.503025     2  2107
2111  2109  H     -5.648942   -6.101288    5.481121     2  2107
2112  2110  O     -6.520928   -1.297377    3.650438     1  2111  2112
2113  2111  H     -5.759197   -0.756726    3.273371     2  2110
2114  2112  H     -6.024116   -1.829003    4.355387     2  2110
2115  2113  O     -1.009945   -6.463159    5.333573     1  2114  2115
2116  2114  H     -0.859926   -5.482370    5.087661     2  2113
2117  2115  H     -1.142670   -6.628736    4.344458     2  2113
2118  2116  O     -4.939399   -9.196173    6.830909     1  2117  2118
2119  2117  H     -5.824192   -8.745440    7.000315     2  2116
2120  2118  H     -4.323432   -8.393323    6.880091     2  2116
2121  2119  O     -2.851450   -2.314226    3.972856     1  2120  2121
2122  2120  H     -3.665513   -2.498357    4.563047     2  2119
2123  2121  H     -3.395806   -2.690708    3.207794     2  2119
2124  2122  O      1.365047   -4.787712    2.852588     1  2123  2124
2125  2123  H      1.563494   -5.664985    3.306160     2  2122
2126  2124  H      0.681128   -4.409769    3.497425     2  2122
2127  2125  O     -3.608435   -8.394478   10.131603     1  2126  2127
2128  2126  H     -4.451728   -7.869151    9.891155     2  2125
2129  2127  H     -3.508207   -7.759921   10.913059     2  2125
2130  2128  O     -2.636221  -12.563832   12.743742     1  2129  2130
2131  2129  H     -3.397952  -13.104483   13.120809     2  2128
2132  2130  H     -3.133033  -12.032206   12.038793     2  2128
2133  2131  O     -8.147204   -7.398050   11.060607     1  2132  2133
2134  2132  H     -8.297223   -8.378839   11.306519     2  2131
2135  2133  H     -8.014479   -7.232473   12.049722     2  2131
2136  2134  O     -4.217750   -4.665036    9.563271     1  2135  2136
2137  2135  H     -3.332957   -5.115769    9.393865     2  2134
2138  2136  H     -4.833717   -5.467886    9.514089     2  2134
2139  2137  O     -6.305699  -11.546983   12.421324     1  2138  2139
2140  2138  H     -5.491636  -11.362852   11.831133     2  2137
2141  2139  H     -5.761343  -11.170501   13.186386     2  2137
2142  2140  O    -10.522196   -9.073497   13.541592     1  2141  2142
2143  2141  H    -10.720643   -8.196224   13.088020     2  2140
2144  2142  H     -9.838277   -9.451440   12.896755     2  2140
2145  2143  O     -8.601097  -10.087134   11.727303     1  2144  2145
2146  2144  H     -7.757804  -10.612461   11.967751     2  2143
2147  2145  H     -8.701325  -10.721691   10.945847     2  2143
2148  2146  O     -9.573311   -5.917780    9.115164     1  2147  2148
2149  2147  H     -8.811580   -5.377129    8.738097     2  2146
2150  2148  H     -9.076499   -6.449406    9.820113     2  2146
2151  2149  O     -4.062328  -11.083562   10.798299     1  2150  2151
2152  2150  H     -3.912309  -10.102773   10.552387     2  2149
2153  2151  H     -4.195053  -11.249139    9.809184     2  2149
2154  2152  O     -7.991782  -13.816576   12.295635     1  2153  2154
2155  2153  H     -8.876575  -13.365843   12.465041     2  2152
2156  2154  H     -7.375815  -13.013726   12.344817     2  2152
2157  2155  O     -5.903833   -6.934629    9.437582     1  2156  2157
2158  2156  H     -6.717896   -7.118760   10.027773     2  2155
2159  2157  H     -6.448189   -7.311111    8.672520     2  2155
2160  2158  O     -1.687336   -9.408115    8.317314     1  2159  2160
2161  2159  H     -1.488889  -10.285388    8.770886     2  2158
2162  2160  H     -2.371255   -9.030172    8.962151     2  2158
2163  2161  O      2.496331   12.622942   -6.262577     1  2162  2163
2164  2162  H      1.653038   13.148269   -6.503025     2  2161
2165  2163  H      2.596559   13.257499   -5.481121     2  2161
2166  2164  O      3.468545    8.453588   -3.650438     1  2165  2166
2167  2165  H      2.706814    7.912937   -3.273371     2  2164
2168  2166  H      2.971733    8.985214   -4.355387     2  2164
2169  2167  O     -2.042438   13.619370   -5.333573     1  2168  2169
2170  2168  H     -2.192457   12.638581   -5.087661     2  2167
2171  2169  H     -1.909713   13.784947   -4.344458     2  2167
2172  2170  O      1.887016   16.352384   -6.830909     1  2171  2172
2173  2171  H      2.771809   15.901651   -7.000315     2  2170
2174  2172  H      1.271049   15.549534   -6.880091     2  2170
2175  2173  O     -0.200933    9.470437   -3.972856     1  2174  2175
2176  2174  H      0.613130    9.654568   -4.563047     2  2173
2177  2175  H      0.343423    9.846919   -3.207794     2  2173
2178  2176  O     -4.417430   11.943923   -2.852588     1  2177  2178
2179  2177  H     -4.615877   12.821196   -3.306160     2  2176
2180  2178  H     -3.733511   11.565980   -3.497425     2  2176
2181  2179  O     -2.496331   10.930286   -4.666877     1  2180  2181
2182  2180  H     -1.653038   10.404959   -4.426429     2  2179
2183  2181  H     -2.596559   10.295729   -5.448333     2  2179
2184  2182  O     -3.468545   15.099640   -7.279016     1  2183  2184
2185  2183  H     -2.706814   15.640291   -7.656083     2  2182
2186  2184  H     -2.971733   14.568014   -6.574067     2  2182
2187  2185  O      2.042438    9.933858   -5.595881     1  2186  2187
2188  2186  H      2.192457   10.914647   -5.841793     2  2185
2189  2187  H      1.909713    9.768281   -6.584996     2  2185
2190  2188  O     -1.887016    7.200844   -4.098545     1  2189  2190
2191  2189  H     -2.771809    7.651577   -3.929139     2  2188
2192  2190  H     -1.271049    8.003694   -4.049363     2  2188
2193  2191  O      0.200933   14.082791   -6.956598     1  2192  2193
2194  2192  H     -0.613130   13.898660   -6.366407     2  2191
2195  2193  H     -0.343423   13.706309   -7.721660     2  2191
2196  2194  O      4.417430   11.609305   -8.076866     1  2195  2196
2197  2195  H      4.615877   10.732032   -7.623294     2  2194
2198  2196  H      3.733511   11.987248   -7.432029     2  2194
2199  2197  O     -0.556052    8.002539   -0.797850     1  2198  2199
2200  2198  H     -1.399345    8.527866   -1.038298     2  2197
2201  2199  H     -0.455824    8.637096   -0.016394     2  2197
2202  2200  O      0.416162    3.833185    1.814289     1  2201  2202
2203  2201  H     -0.345569    3.292534    2.191356     2  2200
2204  2202  H     -0.080650    4.364811    1.109340     2  2200
2205  2203  O     -5.094821    8.998967    0.131154     1  2204  2205
2206  2204  H     -5.244840    8.018178    0.377066     2  2203
2207  2205  H     -4.962096    9.164544    1.120269     2  2203
2208  2206  O     -1.165367   11.731981   -1.366182     1  2207  2208
2209  2207  H     -0.280574   11.281248   -1.535588     2  2206
2210  2208  H     -1.781334   10.929131   -1.415364     2  2206
2211  2209  O     -3.253316    4.850034    1.491871     1  2210  2211
2212  2210  H     -2.439253    5.034165    0.901680     2  2209
2213  2211  H     -2.708960    5.226516    2.256933     2  2209
2214  2212  O     -7.469813    7.323520    2.612139     1  2213  2214
2215  2213  H     -7.668260    8.200793    2.158567     2  2212
2216  2214  H     -6.785894    6.945577    1.967302     2  2212
2217  2215  O     -5.548714    6.309883    0.797850     1  2216  2217
2218  2216  H     -4.705421    5.784556    1.038298     2  2215
2219  2217  H     -5.648942    5.675326    0.016394     2  2215
2220  2218  O     -6.520928   10.479237   -1.814289     1  2219  2220
2221  2219  H     -5.759197   11.019888   -2.191356     2  2218
2222  2220  H     -6.024116    9.947611   -1.109340     2  2218
2223  2221  O     -1.009945    5.313455   -0.131154     1  2222  2223
2224  2222  H     -0.859926    6.294244   -0.377066     2  2221
2225  2223  H     -1.142670    5.147878   -1.120269     2  2221
2226  2224  O     -4.939399    2.580441    1.366182     1  2225  2226
2227  2225  H     -5.824192    3.031174    1.535588     2  2224
2228  2226  H     -4.323432    3.383291    1.415364     2  2224
2229  2227  O     -2.851450    9.462388   -1.491871     1  2228  2229
2230  2228  H     -3.665513    9.278257   -0.901680     2  2227
2231  2229  H     -3.395806    9.085906   -2.256933     2  2227
2232  2230  O      1.365047    6.988902   -2.612139     1  2231  2232
2233  2231  H      1.563494    6.111629   -2.158567     2  2230
2234  2232  H      0.681128    7.366845   -1.967302     2  2230
2235  2233  O     -3.608435    3.382136    4.666877     1  2234  2235
2236  2234  H     -4.451728    3.907463    4.426429     2  2233
2237  2235  H     -3.508207    4.016693    5.448333     2  2233
2238  2236  O     -2.636221   -0.787218    7.279016     1  2237  2238
2239  2237  H     -3.397952   -1.327869    7.656083     2  2236
2240  2238  H     -3.133033   -0.255592    6.574067     2  2236
2241  2239  O     -8.147204    4.378564    5.595881     1  2240  2241
2242  2240  H     -8.297223    3.397775    5.841793     2  2239
2243  2241  H     -8.014479    4.544141    6.584996     2  2239
2244  2242  O     -4.217750    7.111578    4.098545     1  2243  2244
2245  2243  H     -3.332957    6.660845    3.929139     2  2242
2246  2244  H     -4.833717    6.308728    4.049363     2  2242
2247  2245  O     -6.305699    0.229631    6.956598     1  2246  2247
2248  2246  H     -5.491636    0.413762    6.366407     2  2245
2249  2247  H     -5.761343    0.606113    7.721660     2  2245
2250  2248  O    -10.522196    2.703117    8.076866     1  2249  2250
2251  2249  H    -10.720643    3.580390    7.623294     2  2248
2252  2250  H     -9.838277    2.325174    7.432029     2  2248
2253  2251  O     -8.601097    1.689480    6.262577     1  2252  2253
2254  2252  H     -7.757804    1.164153    6.503025     2  2251
2255  2253  H     -8.701325    1.054923    5.481121     2  2251
2256  2254  O     -9.573311    5.858834    3.650438     1  2255  2256
2257  2255  H     -8.811580    6.399485    3.273371     2  2254
2258  2256  H     -9.076499    5.327208    4.355387     2  2254
2259  2257  O     -4.062328    0.693052    5.333573     1  2258  2259
2260  2258  H     -3.912309    1.673841    5.087661     2  2257
2261  2259  H     -4.195053    0.527475    4.344458     2  2257
2262  2260  O     -7.991782   -2.039962    6.830909     1  2261  2262
2263  2261  H     -8.876575   -1.589229    7.000315     2  2260
2264  2262  H     -7.375815   -1.237112    6.880091     2  2260
2265  2263  O     -5.903833    4.841985    3.972856     1  2264  2265
2266  2264  H     -6.717896    4.657854    4.563047     2  2263
2267  2265  H     -6.448189    4.465503    3.207794     2  2263
2268  2266  O     -1.687336    2.368499    2.852588     1  2267  2268
2269  2267  H     -1.488889    1.491226    3.306160     2  2266
2270  2268  H     -2.371255    2.746442    3.497425     2  2266
2271  2269  O     -6.660817   -1.238266   10.131603     1  2270  2271
2272  2270  H     -7.504110   -0.712939    9.891155     2  2269
2273  2271  H     -6.560589   -0.603709   10.913059     2  2269
2274  2272  O     -5.688603   -5.407620   12.743742     1  2273  2274
2275  2273  H     -6.450334   -5.948271   13.120809     2  2272
2276  2274  H     -6.185415   -4.875994   12.038793     2  2272
2277  2275  O    -11.199586   -0.241838   11.060607     1  2276  2277
2278  2276  H    -11.349605   -1.222627   11.306519     2  2275
2279  2277  H    -11.066861   -0.076261   12.049722     2  2275
2280  2278  O     -7.270132    2.491176    9.563271     1  2279  2280
2281  2279  H     -6.385339    2.040443    9.393865     2  2278
2282  2280  H     -7.886099    1.688326    9.514089     2  2278
2283  2281  O     -9.358081   -4.390771   12.421324     1  2282  2283
2284  2282  H     -8.544018   -4.206640   11.831133     2  2281
2285  2283  H     -8.813725   -4.014289   13.186386     2  2281
2286  2284  O    -13.574578   -1.917285   13.541592     1  2285  2286
2287  2285  H    -13.773025   -1.040012   13.088020     2  2284
2288  2286  H    -12.890659   -2.295228   12.896755     2  2284
2289  2287  O    -11.653479   -2.930922   11.727303     1  2288  2289
2290  2288  H    -10.810186   -3.456249   11.967751     2  2287
2291  2289  H    -11.753707   -3.565479   10.945847     2  2287
2292  2290  O    -12.625693    1.238432    9.115164     1  2291  2292
2293  2291  H    -11.863962    1.779083    8.738097     2  2290
2294  2292  H    -12.128881    0.706806    9.820113     2  2290
2295  2293  O     -7.114710   -3.927350   10.798299     1  2294  2295
2296  2294  H     -6.964691   -2.946561   10.552387     2  2293
2297  2295  H     -7.247435   -4.092927    9.809184     2  2293
2298  2296  O    -11.044164   -6.660364   12.295635     1  2297  2298
2299  2297  H    -11.928957   -6.209631   12.465041     2  2296
2300  2298  H    -10.428197   -5.857514   12.344817     2  2296
2301  2299  O     -8.956215    0.221583    9.437582     1  2300  2301
2302  2300  H     -9.770278    0.037452   10.027773     2  2299
2303  2301  H     -9.500571   -0.154899    8.672520     2  2299
2304  2302  O     -4.739718   -2.251903    8.317314     1  2303  2304
2305  2303  H     -4.541271   -3.129176    8.770886     2  2302
2306  2304  H     -5.423637   -1.873960    8.962151     2  2302
2307  2305  O     -0.556052   19.779153   -6.262577     1  2306  2307
2308  2306  H     -1.399345   20.304480   -6.503025     2  2305
2309  2307  H     -0.455824   20.413710   -5.481121     2  2305
2310  2308  O      0.416162   15.609799   -3.650438     1  2309  2310
2311  2309  H     -0.345569   15.069148   -3.273371     2  2308
2312  2310  H     -0.080650   16.141425   -4.355387     2  2308
2313  2311  O     -5.094821   20.775581   -5.333573     1  2312  2313
2314  2312  H     -5.244840   19.794792   -5.087661     2  2311
2315  2313  H     -4.962096   20.941158   -4.344458     2  2311
2316  2314  O     -1.165367   23.508595   -6.830909     1  2315  2316
2317  2315  H     -0.280574   23.057862   -7.000315     2  2314
2318  2316  H     -1.781334   22.705745   -6.880091     2  2314
2319  2317  O     -3.253316   16.626648   -3.972856     1  2318  2319
2320  2318  H     -2.439253   16.810779   -4.563047     2  2317
2321  2319  H     -2.708960   17.003130   -3.207794     2  2317
2322  2320  O     -7.469813   19.100134   -2.852588     1  2321  2322
2323  2321  H     -7.668260   19.977407   -3.306160     2  2320
2324  2322  H     -6.785894   18.722191   -3.497425     2  2320
2325  2323  O     -5.548714   18.086497   -4.666877     1  2324  2325
2326  2324  H     -4.705421   17.561170   -4.426429     2  2323
2327  2325  H     -5.648942   17.451940   -5.448333     2  2323
2328  2326  O     -6.520928   22.255851   -7.279016     1  2327  2328
2329  2327  H     -5.759197   22.796502   -7.656083     2  2326
2330  2328  H     -6.024116   21.724225   -6.574067     2  2326
2331  2329  O     -1.009945   17.090069   -5.595881     1  2330  2331
2332  2330  H     -0.859926   18.070858   -5.841793     2  2329
2333  2331  H     -1.142670   16.924492   -6.584996     2  2329
2334  2332  O     -4.939399   14.357055   -4.098545     1  2333  2334
2335  2333  H     -5.824192   14.807788   -3.929139     2  2332
2336  2334  H     -4.323432   15.159905   -4.049363     2  2332
2337  2335  O     -2.851450   21.239002   -6.956598     1  2336  2337
2338  2336  H     -3.665513   21.054871   -6.366407     2  2335
2339  2337  H     -3.395806   20.862520   -7.721660     2  2335
2340  2338  O      1.365047   18.765516   -8.076866     1  2339  2340
2341  2339  H      1.563494   17.888243   -7.623294     2  2338
2342  2340  H      0.681128   19.143459   -7.432029     2  2338
2343  2341  O     -3.608435   15.158750   -0.797850     1  2342  2343
2344  2342  H     -4.451728   15.684077   -1.038298     2  2341
2345  2343  H     -3.508207   15.793307   -0.016394     2  2341
2346  2344  O     -2.636221   10.989396    1.814289     1  2345  2346
2347  2345  H     -3.397952   10.448745    2.191356     2  2344
2348  2346  H     -3.133033   11.521022    1.109340     2  2344
2349  2347  O     -8.147204   16.155178    0.131154     1  2348  2349
2350  2348  H     -8.297223   15.174389    0.377066     2  2347
2351  2349  H     -8.014479   16.320755    1.120269     2  2347
2352  2350  O     -4.217750   18.888192   -1.366182     1  2351  2352
2353  2351  H     -3.332957   18.437459   -1.535588     2  2350
2354  2352  H     -4.833717   18.085342   -1.415364     2  2350
2355  2353  O     -6.305699   12.006245    1.491871     1  2354  2355
2356  2354  H     -5.491636   12.190376    0.901680     2  2353
2357  2355  H     -5.761343   12.382727    2.256933     2  2353
2358  2356  O    -10.522196   14.479731    2.612139     1  2357  2358
2359  2357  H    -10.720643   15.357004    2.158567     2  2356
2360  2358  H     -9.838277   14.101788    1.967302     2  2356
2361  2359  O     -8.601097   13.466094    0.797850     1  2360  2361
2362  2360  H     -7.757804   12.940767    1.038298     2  2359
2363  2361  H     -8.701325   12.831537    0.016394     2  2359
2364  2362  O     -9.573311   17.635448   -1.814289     1  2363  2364
2365  2363  H     -8.811580   18.176099   -2.191356     2  2362
2366  2364  H     -9.076499   17.103822   -1.109340     2  2362
2367  2365  O     -4.062328   12.469666   -0.131154     1  2366  2367
2368  2366  H     -3.912309   13.450455   -0.377066     2  2365
2369  2367  H     -4.195053   12.304089   -1.120269     2  2365
2370  2368  O     -7.991782    9.736652    1.366182     1  2369  2370
2371  2369  H     -8.876575   10.187385    1.535588     2  2368
2372  2370  H     -7.375815   10.539502    1.415364     2  2368
2373  2371  O     -5.903833   16.618599   -1.491871     1  2372  2373
2374  2372  H     -6.717896   16.434468   -0.901680     2  2371
2375  2373  H     -6.448189   16.242117   -2.256933     2  2371
2376  2374  O     -1.687336   14.145113   -2.612139     1  2375  2376
2377  2375  H     -1.488889   13.267840   -2.158567     2  2374
2378  2376  H     -2.371255   14.523056   -1.967302     2  2374
2379  2377  O     -6.660817   10.538348    4.666877     1  2378  2379
2380  2378  H     -7.504110   11.063675    4.426429     2  2377
2381  2379  H     -6.560589   11.172905    5.448333     2  2377
2382  2380  O     -5.688603    6.368994    7.279016     1  2381  2382
2383  2381  H     -6.450334    5.828343    7.656083     2  2380
2384  2382  H     -6.185415    6.900620    6.574067     2  2380
2385  2383  O    -11.199586   11.534776    5.595881     1  2384  2385
2386  2384  H    -11.349605   10.553987    5.841793     2  2383
2387  2385  H    -11.066861   11.700353    6.584996     2  2383
2388  2386  O     -7.270132   14.267790    4.098545     1  2387  2388
2389  2387  H     -6.385339   13.817057    3.929139     2  2386
2390  2388  H     -7.886099   13.464940    4.049363     2  2386
2391  2389  O     -9.358081    7.385843    6.956598     1  2390  2391
2392  2390  H     -8.544018    7.569974    6.366407     2  2389
2393  2391  H     -8.813725    7.762325    7.721660     2  2389
2394  2392  O    -13.574578    9.859329    8.076866     1  2393  2394
2395  2393  H    -13.773025   10.736602    7.623294     2  2392
2396  2394  H    -12.890659    9.481386    7.432029     2  2392
2397  2395  O    -11.653479    8.845692    6.262577     1  2396  2397
2398  2396  H    -10.810186    8.320365    6.503025     2  2395
2399  2397  H    -11.753707    8.211135    5.481121     2  2395
2400  2398  O    -12.625693   13.015046    3.650438     1  2399  2400
2401  2399  H    -11.863962   13.555697    3.273371     2  2398
2402  2400  H    -12.128881   12.483420    4.355387     2  2398
2403  2401  O     -7.114710    7.849264    5.333573     1  2402  2403
2404  2402  H     -6.964691    8.830053    5.087661     2  2401
2405  2403  H     -7.247435    7.683687    4.344458     2  2401
2406  2404  O    -11.044164    5.116250    6.830909     1  2405  2406
2407  2405  H    -11.928957    5.566983    7.000315     2  2404
2408  2406  H    -10.428197    5.919100    6.880091     2  2404
2409  2407  O     -8.956215   11.998197    3.972856     1  2408  2409
2410  2408  H     -9.770278   11.814066    4.563047     2  2407
2411  2409  H     -9.500571   11.621715    3.207794     2  2407
2412  2410  O     -4.739718    9.524711    2.852588     1  2411  2412
2413  2411  H     -4.541271    8.647438    3.306160     2  2410
2414  2412  H     -5.423637    9.902654    3.497425     2  2410
2415  2413  O     -9.713200    5.917945   10.131603     1  2414  2415
2416  2414  H    -10.556493    6.443272    9.891155     2  2413
2417  2415  H     -9.612972    6.552502   10.913059     2  2413
2418  2416  O     -8.740986    1.748591   12.743742     1  2417  2418
2419  2417  H     -9.502717    1.207940   13.120809     2  2416
2420  2418  H     -9.237798    2.280217   12.038793     2  2416
2421  2419  O    -14.251969    6.914373   11.060607     1  2420  2421
2422  2420  H    -14.401988    5.933584   11.306519     2  2419
2423  2421  H    -14.119244    7.079950   12.049722     2  2419
2424  2422  O    -10.322515    9.647387    9.563271     1  2423  2424
2425  2423  H     -9.437722    9.196654    9.393865     2  2422
2426  2424  H    -10.938482    8.844537    9.514089     2  2422
2427  2425  O    -12.410464    2.765440   12.421324     1  2426  2427
2428  2426  H    -11.596401    2.949571   11.831133     2  2425
2429  2427  H    -11.866108    3.141922   13.186386     2  2425
2430  2428  O    -16.626961    5.238926   13.541592     1  2429  2430
2431  2429  H    -16.825408    6.116199   13.088020     2  2428
2432  2430  H    -15.943042    4.860983   12.896755     2  2428
2433  2431  O    -14.705862    4.225289   11.727303     1  2432  2433
2434  2432  H    -13.862569    3.699962   11.967751     2  2431
2435  2433  H    -14.806090    3.590732   10.945847     2  2431
2436  2434  O    -15.678076    8.394643    9.115164     1  2435  2436
2437  2435  H    -14.916345    8.935294    8.738097     2  2434
2438  2436  H    -15.181264    7.863017    9.820113     2  2434
2439  2437  O    -10.167093    3.228861   10.798299     1  2438  2439
2440  2438  H    -10.017074    4.209650   10.552387     2  2437
2441  2439  H    -10.299818    3.063284    9.809184     2  2437
2442  2440  O    -14.096547    0.495847   12.295635     1  2441  2442
2443  2441  H    -14.981340    0.946580   12.465041     2  2440
2444  2442  H    -13.480580    1.298697   12.344817     2  2440
2445  2443  O    -12.008598    7.377794    9.437582     1  2444  2445
2446  2444  H    -12.822661    7.193663   10.027773     2  2443
2447  2445  H    -12.552954    7.001312    8.672520     2  2443
2448  2446  O     -7.792101    4.904308    8.317314     1  2447  2448
2449  2447  H     -7.593654    4.027035    8.770886     2  2446
2450  2448  H     -8.476020    5.282251    8.962151     2  2446
2451  2449  O     -3.608435   26.935365   -6.262577     1  2450  2451
2452  2450  H     -4.451728   27.460692   -6.503025     2  2449
2453  2451  H     -3.508207   27.569922   -5.481121     2  2449
2454  2452  O     -2.636221   22.766011   -3.650438     1  2453  2454
2455  2453  H     -3.397952   22.225360   -3.273371     2  2452
2456  2454  H     -3.133033   23.297637   -4.355387     2  2452
2457  2455  O     -8.147204   27.931793   -5.333573     1  2456  2457
2458  2456  H     -8.297223   26.951004   -5.087661     2  2455
2459  2457  H     -8.014479   28.097370   -4.344458     2  2455
2460  2458  O     -4.217750   30.664807   -6.830909     1  2459  2460
2461  2459  H     -3.332957   30.214074   -7.000315     2  2458
2462  2460  H     -4.833717   29.861957   -6.880091     2  2458
2463  2461  O     -6.305699   23.782860   -3.972856     1  2462  2463
2464  2462  H     -5.491636   23.966991   -4.563047     2  2461
2465  2463  H     -5.761343   24.159342   -3.207794     2  2461
2466  2464  O    -10.522196   26.256346   -2.852588     1  2465  2466
2467  2465  H    -10.720643   27.133619   -3.306160     2  2464
2468  2466  H     -9.838277   25.878403   -3.497425     2  2464
2469  2467  O     -8.601097   25.242709   -4.666877     1  2468  2469
2470  2468  H     -7.757804   24.717382   -4.426429     2  2467
2471  2469  H     -8.701325   24.608152   -5.448333     2  2467
2472  2470  O     -9.573311   29.412063   -7.279016     1  2471  2472
2473  2471  H     -8.811580   29.952714   -7.656083     2  2470
2474  2472  H     -9.076499   28.880437   -6.574067     2  2470
2475  2473  O     -4.062328   24.246281   -5.595881     1  2474  2475
2476  2474  H     -3.912309   25.227070   -5.841793     2  2473
2477  2475  H     -4.195053   24.080704   -6.584996     2  2473
2478  2476  O     -7.991782   21.513267   -4.098545     1  2477  2478
2479  2477  H     -8.876575   21.964000   -3.929139     2  2476
2480  2478  H     -7.375815   22.316117   -4.049363     2  2476
2481  2479  O     -5.903833   28.395214   -6.956598     1  2480  2481
2482  2480  H     -6.717896   28.211083   -6.366407     2  2479
2483  2481  H     -6.448189   28.018732   -7.721660     2  2479
2484  2482  O     -1.687336   25.921728   -8.076866     1  2483  2484
2485  2483  H     -1.488889   25.044455   -7.623294     2  2482
2486  2484  H     -2.371255   26.299671   -7.432029     2  2482
2487  2485  O     -6.660817   22.314962   -0.797850     1  2486  2487
2488  2486  H     -7.504110   22.840289   -1.038298     2  2485
2489  2487  H     -6.560589   22.949519   -0.016394     2  2485
2490  2488  O     -5.688603   18.145608    1.814289     1  2489  2490
2491  2489  H     -6.450334   17.604957    2.191356     2  2488
2492  2490  H     -6.185415   18.677234    1.109340     2  2488
2493  2491  O    -11.199586   23.311390    0.131154     1  2492  2493
2494  2492  H    -11.349605   22.330601    0.377066     2  2491
2495  2493  H    -11.066861   23.476967    1.120269     2  2491
2496  2494  O     -7.270132   26.044404   -1.366182     1  2495  2496
2497  2495  H     -6.385339   25.593671   -1.535588     2  2494
2498  2496  H     -7.886099   25.241554   -1.415364     2  2494
2499  2497  O     -9.358081   19.162457    1.491871     1  2498  2499
2500  2498  H     -8.544018   19.346588    0.901680     2  2497
2501  2499  H     -8.813725   19.538939    2.256933     2  2497
2502  2500  O    -13.574578   21.635943    2.612139     1  2501  2502
2503  2501  H    -13.773025   22.513216    2.158567     2  2500
2504  2502  H    -12.890659   21.258000    1.967302     2  2500
2505  2503  O    -11.653479   20.622306    0.797850     1  2504  2505
2506  2504  H    -10.810186   20.096979    1.038298     2  2503
2507  2505  H    -11.753707   19.987749    0.016394     2  2503
2508  2506  O    -12.625693   24.791660   -1.814289     1  2507  2508
2509  2507  H    -11.863962   25.332311   -2.191356     2  2506
2510  2508  H    -12.128881   24.260034   -1.109340     2  2506
2511  2509  O     -7.114710   19.625878   -0.131154     1  2510  2511
2512  2510  H     -6.964691   20.606667   -0.377066     2  2509
2513  2511  H     -7.247435   19.460301   -1.120269     2  2509
2514  2512  O    -11.044164   16.892864    1.366182     1  2513  2514
2515  2513  H    -11.928957   17.343597    1.535588     2  2512
2516  2514  H    -10.428197   17.695714    1.415364     2  2512
2517  2515  O     -8.956215   23.774811   -1.491871     1  2516  2517
2518  2516  H     -9.770278   23.590680   -0.901680     2  2515
2519  2517  H     -9.500571   23.398329   -2.256933     2  2515
2520  2518  O     -4.739718   21.301325   -2.612139     1  2519  2520
2521  2519  H     -4.541271   20.424052   -2.158567     2  2518
2522  2520  H     -5.423637   21.679268   -1.967302     2  2518
2523  2521  O     -9.713200   17.694559    4.666877     1  2522  2523
2524  2522  H    -10.556493   18.219886    4.426429     2  2521
2525  2523  H     -9.612972   18.329116    5.448333     2  2521
2526  2524  O     -8.740986   13.525205    7.279016     1  2525  2526
2527  2525  H     -9.502717   12.984554    7.656083     2  2524
2528  2526  H     -9.237798   14.056831    6.574067     2  2524
2529  2527  O    -14.251969   18.690987    5.595881     1  2528  2529
2530  2528  H    -14.401988   17.710198    5.841793     2  2527
2531  2529  H    -14.119244   18.856564    6.584996     2  2527
2532  2530  O    -10.322515   21.424001    4.098545     1  2531  2532
2533  2531  H     -9.437722   20.973268    3.929139     2  2530
2534  2532  H    -10.938482   20.621151    4.049363     2  2530
2535  2533  O    -12.410464   14.542054    6.956598     1  2534  2535
2536  2534  H    -11.596401   14.726185    6.366407     2  2533
2537  2535  H    -11.866108   14.918536    7.721660     2  2533
2538  2536  O    -16.626961   17.015540    8.076866     1  2537  2538
2539  2537  H    -16.825408   17.892813    7.623294     2  2536
2540  2538  H    -15.943042   16.637597    7.432029     2  2536
2541  2539  O    -14.705862   16.001903    6.262577     1  2540  2541
2542  2540  H    -13.862569   15.476576    6.503025     2  2539
2543  2541  H    -14.806090   15.367346    5.481121     2  2539
2544  2542  O    -15.678076   20.171257    3.650438     1  2543  2544
2545  2543  H    -14.916345   20.711908    3.273371     2  2542
2546  2544  H    -15.181264   19.639631    4.355387     2  2542
2547  2545  O    -10.167093   15.005475    5.333573     1  2546  2547
2548  2546  H    -10.017074   15.986264    5.087661     2  2545
2549  2547  H    -10.299818   14.839898    4.344458     2  2545
2550  2548  O    -14.096547   12.272461    6.830909     1  2549  2550
2551  2549  H    -14.981340   12.723194    7.000315     2  2548
2552  2550  H    -13.480580   13.075311    6.880091     2  2548
2553  2551  O    -12.008598   19.154408    3.972856     1  2552  2553
2554  2552  H    -12.822661   18.970277    4.563047     2  2551
2555  2553  H    -12.552954   18.777926    3.207794     2  2551
2556  2554  O     -7.792101   16.680922    2.852588     1  2555  2556
2557  2555  H     -7.593654   15.803649    3.306160     2  2554
2558  2556  H     -8.476020   17.058865    3.497425     2  2554
2559  2557  O    -12.765583   13.074156   10.131603     1  2558  2559
2560  2558  H    -13.608876   13.599483    9.891155     2  2557
2561  2559  H    -12.665355   13.708713   10.913059     2  2557
2562  2560  O    -11.793369    8.904802   12.743742     1  2561  2562
2563  2561  H    -12.555100    8.364151   13.120809     2  2560
2564  2562  H    -12.290181    9.436428   12.038793     2  2560
2565  2563  O    -17.304352   14.070584   11.060607     1  2564  2565
2566  2564  H    -17.454371   13.089795   11.306519     2  2563
2567  2565  H    -17.171627   14.236161   12.049722     2  2563
2568  2566  O    -13.374898   16.803598    9.563271     1  2567  2568
2569  2567  H    -12.490105   16.352865    9.393865     2  2566
2570  2568  H    -13.990865   16.000748    9.514089     2  2566
2571  2569  O    -15.462847    9.921651   12.421324     1  2570  2571
2572  2570  H    -14.648784   10.105782   11.831133     2  2569
2573  2571  H    -14.918491   10.298133   13.186386     2  2569
2574  2572  O    -19.679344   12.395137   13.541592     1  2573  2574
2575  2573  H    -19.877791   13.272410   13.088020     2  2572
2576  2574  H    -18.995425   12.017194   12.896755     2  2572
2577  2575  O    -17.758245   11.381500   11.727303     1  2576  2577
2578  2576  H    -16.914952   10.856173   11.967751     2  2575
2579  2577  H    -17.858473   10.746943   10.945847     2  2575
2580  2578  O    -18.730459   15.550854    9.115164     1  2579  2580
2581  2579  H    -17.968728   16.091505    8.738097     2  2578
2582  2580  H    -18.233647   15.019228    9.820113     2  2578
2583  2581  O    -13.219476   10.385072   10.798299     1  2582  2583
2584  2582  H    -13.069457   11.365861   10.552387     2  2581
2585  2583  H    -13.352201   10.219495    9.809184     2  2581
2586  2584  O    -17.148930    7.652058   12.295635     1  2585  2586
2587  2585  H    -18.033723    8.102791   12.465041     2  2584
2588  2586  H    -16.532963    8.454908   12.344817     2  2584
2589  2587  O    -15.060981   14.534005    9.437582     1  2588  2589
2590  2588  H    -15.875044   14.349874   10.027773     2  2587
2591  2589  H    -15.605337   14.157523    8.672520     2  2587
2592  2590  O    -10.844484   12.060519    8.317314     1  2591  2592
2593  2591  H    -10.646037   11.183246    8.770886     2  2590
2594  2592  H    -11.528403   12.438462    8.962151     2  2590
2595  2593  O     19.433479   -8.845692   -6.262577     1  2594  2595
2596  2594  H     18.590186   -8.320365   -6.503025     2  2593
2597  2595  H     19.533707   -8.211135   -5.481121     2  2593
2598  2596  O     20.405693  -13.015046   -3.650438     1  2597  2598
2599  2597  H     19.643962  -13.555697   -3.273371     2  2596
2600  2598  H     19.908881  -12.483420   -4.355387     2  2596
2601  2599  O     14.894710   -7.849264   -5.333573     1  2600  2601
2602  2600  H     14.744691   -8.830053   -5.087661     2  2599
2603  2601  H     15.027435   -7.683687   -4.344458     2  2599
2604  2602  O     18.824164   -5.116250   -6.830909     1  2603  2604
2605  2603  H     19.708957   -5.566983   -7.000315     2  2602
2606  2604  H     18.208197   -5.919100   -6.880091     2  2602
2607  2605  O     16.736215  -11.998197   -3.972856     1  2606  2607
2608  2606  H     17.550278  -11.814066   -4.563047     2  2605
2609  2607  H     17.280571  -11.621715   -3.207794     2  2605
2610  2608  O     12.519718   -9.524711   -2.852588     1  2609  2610
2611  2609  H     12.321271   -8.647438   -3.306160     2  2608
2612  2610  H     13.203637   -9.902654   -3.497425     2  2608
2613  2611  O     14.440817  -10.538348   -4.666877     1  2612  2613
2614  2612  H     15.284110  -11.063675   -4.426429     2  2611
2615  2613  H     14.340589  -11.172905   -5.448333     2  2611
2616  2614  O     13.468603   -6.368994   -7.279016     1  2615  2616
2617  2615  H     14.230334   -5.828343   -7.656083     2  2614
2618  2616  H     13.965415   -6.900620   -6.574067     2  2614
2619  2617  O     18.979586  -11.534776   -5.595881     1  2618  2619
2620  2618  H     19.129605  -10.553987   -5.841793     2  2617
2621  2619  H     18.846861  -11.700353   -6.584996     2  2617
2622  2620  O     15.050132  -14.267790   -4.098545     1  2621  2622
2623  2621  H     14.165339  -13.817057   -3.929139     2  2620
2624  2622  H     15.666099  -13.464940   -4.049363     2  2620
2625  2623  O     17.138081   -7.385843   -6.956598     1  2624  2625
2626  2624  H     16.324018   -7.569974   -6.366407     2  2623
2627  2625  H     16.593725   -7.762325   -7.721660     2  2623
2628  2626  O     21.354578   -9.859329   -8.076866     1  2627  2628
2629  2627  H     21.553025  -10.736602   -7.623294     2  2626
2630  2628  H     20.670659   -9.481386   -7.432029     2  2626
2631  2629  O     16.381097  -13.466094   -0.797850     1  2630  2631
2632  2630  H     15.537804  -12.940767   -1.038298     2  2629
2633  2631  H     16.481325  -12.831537   -0.016394     2  2629
2634  2632  O     17.353311  -17.635448    1.814289     1  2633  2634
2635  2633  H     16.591580  -18.176099    2.191356     2  2632
2636  2634  H     16.856499  -17.103822    1.109340     2  2632
2637  2635  O     11.842328  -12.469666    0.131154     1  2636  2637
2638  2636  H     11.692309  -13.450455    0.377066     2  2635
2639  2637  H     11.975053  -12.304089    1.120269     2  2635
2640  2638  O     15.771782   -9.736652   -1.366182     1  2639  2640
2641  2639  H     16.656575  -10.187385   -1.535588     2  2638
2642  2640  H     15.155815  -10.539502   -1.415364     2  2638
2643  2641  O     13.683833  -16.618599    1.491871     1  2642  2643
2644  2642  H     14.497896  -16.434468    0.901680     2  2641
2645  2643  H     14.228189  -16.242117    2.256933     2  2641
2646  2644  O      9.467336  -14.145113    2.612139     1  2645  2646
2647  2645  H      9.268889  -13.267840    2.158567     2  2644
2648  2646  H     10.151255  -14.523056    1.967302     2  2644
2649  2647  O     11.388435  -15.158750    0.797850     1  2648  2649
2650  2648  H     12.231728  -15.684077    1.038298     2  2647
2651  2649  H     11.288207  -15.793307    0.016394     2  2647
2652  2650  O     10.416221  -10.989396   -1.814289     1  2651  2652
2653  2651  H     11.177952  -10.448745   -2.191356     2  2650
2654  2652  H     10.913033  -11.521022   -1.109340     2  2650
2655  2653  O     15.927204  -16.155178   -0.131154     1  2654  2655
2656  2654  H     16.077223  -15.174389   -0.377066     2  2653
2657  2655  H     15.794479  -16.320755   -1.120269     2  2653
2658  2656  O     11.997750  -18.888192    1.366182     1  2657  2658
2659  2657  H     11.112957  -18.437459    1.535588     2  2656
2660  2658  H     12.613717  -18.085342    1.415364     2  2656
2661  2659  O     14.085699  -12.006245   -1.491871     1  2660  2661
2662  2660  H     13.271636  -12.190376   -0.901680     2  2659
2663  2661  H     13.541343  -12.382727   -2.256933     2  2659
2664  2662  O     18.302196  -14.479731   -2.612139     1  2663  2664
2665  2663  H     18.500643  -15.357004   -2.158567     2  2662
2666  2664  H     17.618277  -14.101788   -1.967302     2  2662
2667  2665  O     13.328714  -18.086497    4.666877     1  2666  2667
2668  2666  H     12.485421  -17.561170    4.426429     2  2665
2669  2667  H     13.428942  -17.451940    5.448333     2  2665
2670  2668  O     14.300928  -22.255851    7.279016     1  2669  2670
2671  2669  H     13.539197  -22.796502    7.656083     2  2668
2672  2670  H     13.804116  -21.724225    6.574067     2  2668
2673  2671  O      8.789945  -17.090069    5.595881     1  2672  2673
2674  2672  H      8.639926  -18.070858    5.841793     2  2671
2675  2673  H      8.922670  -16.924492    6.584996     2  2671
2676  2674  O     12.719399  -14.357055    4.098545     1  2675  2676
2677  2675  H     13.604192  -14.807788    3.929139     2  2674
2678  2676  H     12.103432  -15.159905    4.049363     2  2674
2679  2677  O     10.631450  -21.239002    6.956598     1  2678  2679
2680  2678  H     11.445513  -21.054871    6.366407     2  2677
2681  2679  H     11.175806  -20.862520    7.721660     2  2677
2682  2680  O      6.414953  -18.765516    8.076866     1  2681  2682
2683  2681  H      6.216506  -17.888243    7.623294     2  2680
2684  2682  H      7.098872  -19.143459    7.432029     2  2680
2685  2683  O      8.336052  -19.779153    6.262577     1  2684  2685
2686  2684  H      9.179345  -20.304480    6.503025     2  2683
2687  2685  H      8.235824  -20.413710    5.481121     2  2683
2688  2686  O      7.363838  -15.609799    3.650438     1  2687  2688
2689  2687  H      8.125569  -15.069148    3.273371     2  2686
2690  2688  H      7.860650  -16.141425    4.355387     2  2686
2691  2689  O     12.874821  -20.775581    5.333573     1  2690  2691
2692  2690  H     13.024840  -19.794792    5.087661     2  2689
2693  2691  H     12.742096  -20.941158    4.344458     2  2689
2694  2692  O      8.945367  -23.508595    6.830909     1  2693  2694
2695  2693  H      8.060574  -23.057862    7.000315     2  2692
2696  2694  H      9.561334  -22.705745    6.880091     2  2692
2697  2695  O     11.033316  -16.626648    3.972856     1  2696  2697
2698  2696  H     10.219253  -16.810779    4.563047     2  2695
2699  2697  H     10.488960  -17.003130    3.207794     2  2695
2700  2698  O     15.249813  -19.100134    2.852588     1  2699  2700
2701  2699  H     15.448260  -19.977407    3.306160     2  2698
2702  2700  H     14.565894  -18.722191    3.497425     2  2698
2703  2701  O     10.276331  -22.706900   10.131603     1  2702  2703
2704  2702  H      9.433038  -22.181573    9.891155     2  2701
2705  2703  H     10.376559  -22.072343   10.913059     2  2701
2706  2704  O     11.248545  -26.876254   12.743742     1  2705  2706
2707  2705  H     10.486814  -27.416905   13.120809     2  2704
2708  2706  H     10.751733  -26.344628   12.038793     2  2704
2709  2707  O      5.737562  -21.710472   11.060607     1  2708  2709
2710  2708  H      5.587543  -22.691261   11.306519     2  2707
2711  2709  H      5.870287  -21.544895   12.049722     2  2707
2712  2710  O      9.667016  -18.977458    9.563271     1  2711  2712
2713  2711  H     10.551809  -19.428191    9.393865     2  2710
2714  2712  H      9.051049  -19.780308    9.514089     2  2710
2715  2713  O      7.579067  -25.859405   12.421324     1  2714  2715
2716  2714  H      8.393130  -25.675274   11.831133     2  2713
2717  2715  H      8.123423  -25.482923   13.186386     2  2713
2718  2716  O      3.362570  -23.385919   13.541592     1  2717  2718
2719  2717  H      3.164123  -22.508646   13.088020     2  2716
2720  2718  H      4.046489  -23.763862   12.896755     2  2716
2721  2719  O      5.283669  -24.399556   11.727303     1  2720  2721
2722  2720  H      6.126962  -24.924883   11.967751     2  2719
2723  2721  H      5.183441  -25.034113   10.945847     2  2719
2724  2722  O      4.311455  -20.230202    9.115164     1  2723  2724
2725  2723  H      5.073186  -19.689551    8.738097     2  2722
2726  2724  H      4.808267  -20.761828    9.820113     2  2722
2727  2725  O      9.822438  -25.395984   10.798299     1  2726  2727
2728  2726  H      9.972457  -24.415195   10.552387     2  2725
2729  2727  H      9.689713  -25.561561    9.809184     2  2725
2730  2728  O      5.892984  -28.128998   12.295635     1  2729  2730
2731  2729  H      5.008191  -27.678265   12.465041     2  2728
2732  2730  H      6.508951  -27.326148   12.344817     2  2728
2733  2731  O      7.980933  -21.247051    9.437582     1  2732  2733
2734  2732  H      7.166870  -21.431182   10.027773     2  2731
2735  2733  H      7.436577  -21.623533    8.672520     2  2731
2736  2734  O     12.197430  -23.720537    8.317314     1  2735  2736
2737  2735  H     12.395877  -24.597810    8.770886     2  2734
2738  2736  H     11.513511  -23.342594    8.962151     2  2734
2739  2737  O     16.381097   -1.689480   -6.262577     1  2738  2739
2740  2738  H     15.537804   -1.164153   -6.503025     2  2737
2741  2739  H     16.481325   -1.054923   -5.481121     2  2737
2742  2740  O     17.353311   -5.858834   -3.650438     1  2741  2742
2743  2741  H     16.591580   -6.399485   -3.273371     2  2740
2744  2742  H     16.856499   -5.327208   -4.355387     2  2740
2745  2743  O     11.842328   -0.693052   -5.333573     1  2744  2745
2746  2744  H     11.692309   -1.673841   -5.087661     2  2743
2747  2745  H     11.975053   -0.527475   -4.344458     2  2743
2748  2746  O     15.771782    2.039962   -6.830909     1  2747  2748
2749  2747  H     16.656575    1.589229   -7.000315     2  2746
2750  2748  H     15.155815    1.237112   -6.880091     2  2746
2751  2749  O     13.683833   -4.841985   -3.972856     1  2750  2751
2752  2750  H     14.497896   -4.657854   -4.563047     2  2749
2753  2751  H     14.228189   -4.465503   -3.207794     2  2749
2754  2752  O      9.467336   -2.368499   -2.852588     1  2753  2754
2755  2753  H      9.268889   -1.491226   -3.306160     2  2752
2756  2754  H     10.151255   -2.746442   -3.497425     2  2752
2757  2755  O     11.388435   -3.382136   -4.666877     1  2756  2757
2758  2756  H     12.231728   -3.907463   -4.426429     2  2755
2759  2757  H     11.288207   -4.016693   -5.448333     2  2755
2760  2758  O     10.416221    0.787218   -7.279016     1  2759  2760
2761  2759  H     11.177952    1.327869   -7.656083     2  2758
2762  2760  H     10.913033    0.255592   -6.574067     2  2758
2763  2761  O     15.927204   -4.378564   -5.595881     1  2762  2763
2764  2762  H     16.077223   -3.397775   -5.841793     2  2761
2765  2763  H     15.794479   -4.544141   -6.584996     2  2761
2766  2764  O     11.997750   -7.111578   -4.098545     1  2765  2766
2767  2765  H     11.112957   -6.660845   -3.929139     2  2764
2768  2766  H     12.613717   -6.308728   -4.049363     2  2764
2769  2767  O     14.085699   -0.229631   -6.956598     1  2768  2769
2770  2768  H     13.271636   -0.413762   -6.366407     2  2767
2771  2769  H     13.541343   -0.606113   -7.721660     2  2767
2772  2770  O     18.302196   -2.703117   -8.076866     1  2771  2772
2773  2771  H     18.500643   -3.580390   -7.623294     2  2770
2774  2772  H     17.618277   -2.325174   -7.432029     2  2770
2775  2773  O     13.328714   -6.309883   -0.797850     1  2774  2775
2776  2774  H     12.485421   -5.784556   -1.038298     2  2773
2777  2775  H     13.428942   -5.675326   -0.016394     2  2773
2778  2776  O     14.300928  -10.479237    1.814289     1  2777  2778
2779  2777  H     13.539197  -11.019888    2.191356     2  2776
2780  2778  H     13.804116   -9.947611    1.109340     2  2776
2781  2779  O      8.789945   -5.313455    0.131154     1  2780  2781
2782  2780  H      8.639926   -6.294244    0.377066     2  2779
2783  2781  H      8.922670   -5.147878    1.120269     2  2779
2784  2782  O     12.719399   -2.580441   -1.366182     1  2783  2784
2785  2783  H     13.604192   -3.031174   -1.535588     2  2782
2786  2784  H     12.103432   -3.383291   -1.415364     2  2782
2787  2785  O     10.631450   -9.462388    1.491871     1  2786  2787
2788  2786  H     11.445513   -9.278257    0.901680     2  2785
2789  2787  H     11.175806   -9.085906    2.256933     2  2785
2790  2788  O      6.414953   -6.988902    2.612139     1  2789  2790
2791  2789  H      6.216506   -6.111629    2.158567     2  2788
2792  2790  H      7.098872   -7.366845    1.967302     2  2788
2793  2791  O      8.336052   -8.002539    0.797850     1  2792  2793
2794  2792  H      9.179345   -8.527866    1.038298     2  2791
2795  2793  H      8.235824   -8.637096    0.016394     2  2791
2796  2794  O      7.363838   -3.833185   -1.814289     1  2795  2796
2797  2795  H      8.125569   -3.292534   -2.191356     2  2794
2798  2796  H      7.860650   -4.364811   -1.109340     2  2794
2799  2797  O     12.874821   -8.998967   -0.131154     1  2798  2799
2800  2798  H     13.024840   -8.018178   -0.377066     2  2797
2801  2799  H     12.742096   -9.164544   -1.120269     2  2797
2802  2800  O      8.945367  -11.731981    1.366182     1  2801  2802
2803  2801  H      8.060574  -11.281248    1.535588     2  2800
2804  2802  H      9.561334  -10.929131    1.415364     2  2800
2805  2803  O     11.033316   -4.850034   -1.491871     1  2804  2805
2806  2804  H     10.219253   -5.034165   -0.901680     2  2803
2807  2805  H     10.488960   -5.226516   -2.256933     2  2803
2808  2806  O     15.249813   -7.323520   -2.612139     1  2807  2808
2809  2807  H     15.448260   -8.200793   -2.158567     2  2806
2810  2808  H     14.565894   -6.945577   -1.967302     2  2806
2811  2809  O     10.276331  -10.930286    4.666877     1  2810  2811
2812  2810  H      9.433038  -10.404959    4.426429     2  2809
2813  2811  H     10.376559  -10.295729    5.448333     2  2809
2814  2812  O     11.248545  -15.099640    7.279016     1  2813  2814
2815  2813  H     10.486814  -15.640291    7.656083     2  2812
2816  2814  H     10.751733  -14.568014    6.574067     2  2812
2817  2815  O      5.737562   -9.933858    5.595881     1  2816  2817
2818  2816  H      5.587543  -10.914647    5.841793     2  2815
2819  2817  H      5.870287   -9.768281    6.584996     2  2815
2820  2818  O      9.667016   -7.200844    4.098545     1  2819  2820
2821  2819  H     10.551809   -7.651577    3.929139     2  2818
2822  2820  H      9.051049   -8.003694    4.049363     2  2818
2823  2821  O      7.579067  -14.082791    6.956598     1  2822  2823
2824  2822  H      8.393130  -13.898660    6.366407     2  2821
2825  2823  H      8.123423  -13.706309    7.721660     2  2821
2826  2824  O      3.362570  -11.609305    8.076866     1  2825  2826
2827  2825  H      3.164123  -10.732032    7.623294     2  2824
2828  2826  H      4.046489  -11.987248    7.432029     2  2824
2829  2827  O      5.283669  -12.622942    6.262577     1  2828  2829
2830  2828  H      6.126962  -13.148269    6.503025     2  2827
2831  2829  H      5.183441  -13.257499    5.481121     2  2827
2832  2830  O      4.311455   -8.453588    3.650438     1  2831  2832
2833  2831  H      5.073186   -7.912937    3.273371     2  2830
2834  2832  H      4.808267   -8.985214    4.355387     2  2830
2835  2833  O      9.822438  -13.619370    5.333573     1  2834  2835
2836  2834  H      9.972457  -12.638581    5.087661     2  2833
2837  2835  H      9.689713  -13.784947    4.344458     2  2833
2838  2836  O      5.892984  -16.352384    6.830909     1  2837  2838
2839  2837  H      5.008191  -15.901651    7.000315     2  2836
2840  2838  H      6.508951  -15.549534    6.880091     2  2836
2841  2839  O      7.980933   -9.470437    3.972856     1  2840  2841
2842  2840  H      7.166870   -9.654568    4.563047     2  2839
2843  2841  H      7.436577   -9.846919    3.207794     2  2839
2844  2842  O     12.197430  -11.943923    2.852588     1  2843  2844
2845  2843  H     12.395877  -12.821196    3.306160     2  2842
2846  2844  H     11.513511  -11.565980    3.497425     2  2842
2847  2845  O      7.223948  -15.550689   10.131603     1  2846  2847
2848  2846  H      6.380655  -15.025362    9.891155     2  2845
2849  2847  H      7.324176  -14.916132   10.913059     2  2845
2850  2848  O      8.196162  -19.720043   12.743742     1  2849  2850
2851  2849  H      7.434431  -20.260694   13.120809     2  2848
2852  2850  H      7.699350  -19.188417   12.038793     2  2848
2853  2851  O      2.685179  -14.554261   11.060607     1  2852  2853
2854  2852  H      2.535160  -15.535050   11.306519     2  2851
2855  2853  H      2.817904  -14.388684   12.049722     2  2851
2856  2854  O      6.614633  -11.821247    9.563271     1  2855  2856
2857  2855  H      7.499426  -12.271980    9.393865     2  2854
2858  2856  H      5.998666  -12.624097    9.514089     2  2854
2859  2857  O      4.526684  -18.703194   12.421324     1  2858  2859
2860  2858  H      5.340747  -18.519063   11.831133     2  2857
2861  2859  H      5.071040  -18.326712   13.186386     2  2857
2862  2860  O      0.310187  -16.229708   13.541592     1  2861  2862
2863  2861  H      0.111740  -15.352435   13.088020     2  2860
2864  2862  H      0.994106  -16.607651   12.896755     2  2860
2865  2863  O      2.231286  -17.243345   11.727303     1  2864  2865
2866  2864  H      3.074579  -17.768672   11.967751     2  2863
2867  2865  H      2.131058  -17.877902   10.945847     2  2863
2868  2866  O      1.259072  -13.073991    9.115164     1  2867  2868
2869  2867  H      2.020803  -12.533340    8.738097     2  2866
2870  2868  H      1.755884  -13.605617    9.820113     2  2866
2871  2869  O      6.770055  -18.239773   10.798299     1  2870  2871
2872  2870  H      6.920074  -17.258984   10.552387     2  2869
2873  2871  H      6.637330  -18.405350    9.809184     2  2869
2874  2872  O      2.840601  -20.972787   12.295635     1  2873  2874
2875  2873  H      1.955808  -20.522054   12.465041     2  2872
2876  2874  H      3.456568  -20.169937   12.344817     2  2872
2877  2875  O      4.928550  -14.090840    9.437582     1  2876  2877
2878  2876  H      4.114487  -14.274971   10.027773     2  2875
2879  2877  H      4.384194  -14.467322    8.672520     2  2875
2880  2878  O      9.145047  -16.564326    8.317314     1  2879  2880
2881  2879  H      9.343494  -17.441599    8.770886     2  2878
2882  2880  H      8.461128  -16.186383    8.962151     2  2878
2883  2881  O     13.328714    5.466731   -6.262577     1  2882  2883
2884  2882  H     12.485421    5.992058   -6.503025     2  2881
2885  2883  H     13.428942    6.101288   -5.481121     2  2881
2886  2884  O     14.300928    1.297377   -3.650438     1  2885  2886
2887  2885  H     13.539197    0.756726   -3.273371     2  2884
2888  2886  H     13.804116    1.829003   -4.355387     2  2884
2889  2887  O      8.789945    6.463159   -5.333573     1  2888  2889
2890  2888  H      8.639926    5.482370   -5.087661     2  2887
2891  2889  H      8.922670    6.628736   -4.344458     2  2887
2892  2890  O     12.719399    9.196173   -6.830909     1  2891  2892
2893  2891  H     13.604192    8.745440   -7.000315     2  2890
2894  2892  H     12.103432    8.393323   -6.880091     2  2890
2895  2893  O     10.631450    2.314226   -3.972856     1  2894  2895
2896  2894  H     11.445513    2.498357   -4.563047     2  2893
2897  2895  H     11.175806    2.690708   -3.207794     2  2893
2898  2896  O      6.414953    4.787712   -2.852588     1  2897  2898
2899  2897  H      6.216506    5.664985   -3.306160     2  2896
2900  2898  H      7.098872    4.409769   -3.497425     2  2896
2901  2899  O      8.336052    3.774075   -4.666877     1  2900  2901
2902  2900  H      9.179345    3.248748   -4.426429     2  2899
2903  2901  H      8.235824    3.139518   -5.448333     2  2899
2904  2902  O      7.363838    7.943429   -7.279016     1  2903  2904
2905  2903  H      8.125569    8.484080   -7.656083     2  2902
2906  2904  H      7.860650    7.411803   -6.574067     2  2902
2907  2905  O     12.874821    2.777647   -5.595881     1  2906  2907
2908  2906  H     13.024840    3.758436   -5.841793     2  2905
2909  2907  H     12.742096    2.612070   -6.584996     2  2905
2910  2908  O      8.945367    0.044633   -4.098545     1  2909  2910
2911  2909  H      8.060574    0.495366   -3.929139     2  2908
2912  2910  H      9.561334    0.847483   -4.049363     2  2908
2913  2911  O     11.033316    6.926580   -6.956598     1  2912  2913
2914  2912  H     10.219253    6.742449   -6.366407     2  2911
2915  2913  H     10.488960    6.550098   -7.721660     2  2911
2916  2914  O     15.249813    4.453094   -8.076866     1  2915  2916
2917  2915  H     15.448260    3.575821   -7.623294     2  2914
2918  2916  H     14.565894    4.831037   -7.432029     2  2914
2919  2917  O     10.276331    0.846328   -0.797850     1  2918  2919
2920  2918  H      9.433038    1.371655   -1.038298     2  2917
2921  2919  H     10.376559    1.480885   -0.016394     2  2917
2922  2920  O     11.248545   -3.323026    1.814289     1  2921  2922
2923  2921  H     10.486814   -3.863677    2.191356     2  2920
2924  2922  H     10.751733   -2.791400    1.109340     2  2920
2925  2923  O      5.737562    1.842756    0.131154     1  2924  2925
2926  2924  H      5.587543    0.861967    0.377066     2  2923
2927  2925  H      5.870287    2.008333    1.120269     2  2923
2928  2926  O      9.667016    4.575770   -1.366182     1  2927  2928
2929  2927  H     10.551809    4.125037   -1.535588     2  2926
2930  2928  H      9.051049    3.772920   -1.415364     2  2926
2931  2929  O      7.579067   -2.306177    1.491871     1  2930  2931
2932  2930  H      8.393130   -2.122046    0.901680     2  2929
2933  2931  H      8.123423   -1.929695    2.256933     2  2929
2934  2932  O      3.362570    0.167309    2.612139     1  2933  2934
2935  2933  H      3.164123    1.044582    2.158567     2  2932
2936  2934  H      4.046489   -0.210634    1.967302     2  2932
2937  2935  O      5.283669   -0.846328    0.797850     1  2936  2937
2938  2936  H      6.126962   -1.371655    1.038298     2  2935
2939  2937  H      5.183441   -1.480885    0.016394     2  2935
2940  2938  O      4.311455    3.323026   -1.814289     1  2939  2940
2941  2939  H      5.073186    3.863677   -2.191356     2  2938
2942  2940  H      4.808267    2.791400   -1.109340     2  2938
2943  2941  O      9.822438   -1.842756   -0.131154     1  2942  2943
2944  2942  H      9.972457   -0.861967   -0.377066     2  2941
2945  2943  H      9.689713   -2.008333   -1.120269     2  2941
2946  2944  O      5.892984   -4.575770    1.366182     1  2945  2946
2947  2945  H      5.008191   -4.125037    1.535588     2  2944
2948  2946  H      6.508951   -3.772920    1.415364     2  2944
2949  2947  O      7.980933    2.306177   -1.491871     1  2948  2949
2950  2948  H      7.166870    2.122046   -0.901680     2  2947
2951  2949  H      7.436577    1.929695   -2.256933     2  2947
2952  2950  O     12.197430   -0.167309   -2.612139     1  2951  2952
2953  2951  H     12.395877   -1.044582   -2.158567     2  2950
2954  2952  H     11.513511    0.210634   -1.967302     2  2950
2955  2953  O      7.223948   -3.774075    4.666877     1  2954  2955
2956  2954  H      6.380655   -3.248748    4.426429     2  2953
2957  2955  H      7.324176   -3.139518    5.448333     2  2953
2958  2956  O      8.196162   -7.943429    7.279016     1  2957  2958
2959  2957  H      7.434431   -8.484080    7.656083     2  2956
2960  2958  H      7.699350   -7.411803    6.574067     2  2956
2961  2959  O      2.685179   -2.777647    5.595881     1  2960  2961
2962  2960  H      2.535160   -3.758436    5.841793     2  2959
2963  2961  H      2.817904   -2.612070    6.584996     2  2959
2964  2962  O      6.614633   -0.044633    4.098545     1  2963  2964
2965  2963  H      7.499426   -0.495366    3.929139     2  2962
2966  2964  H      5.998666   -0.847483    4.049363     2  2962
2967  2965  O      4.526684   -6.926580    6.956598     1  2966  2967
2968  2966  H      5.340747   -6.742449    6.366407     2  2965
2969  2967  H      5.071040   -6.550098    7.721660     2  2965
2970  2968  O      0.310187   -4.453094    8.076866     1  2969  2970
2971  2969  H      0.111740   -3.575821    7.623294     2  2968
2972  2970  H      0.994106   -4.831037    7.432029     2  2968
2973  2971  O      2.231286   -5.466731    6.262577     1  2972  2973
2974  2972  H      3.074579   -5.992058    6.503025     2  2971
2975  2973  H      2.131058   -6.101288    5.481121     2  2971
2976  2974  O      1.259072   -1.297377    3.650438     1  2975  2976
2977  2975  H      2.020803   -0.756726    3.273371     2  2974
2978  2976  H      1.755884   -1.829003    4.355387     2  2974
2979  2977  O      6.770055   -6.463159    5.333573     1  2978  2979
2980  2978  H      6.920074   -5.482370    5.087661     2  2977
2981  2979  H      6.637330   -6.628736    4.344458     2  2977
2982  2980  O      2.840601   -9.196173    6.830909     1  2981  2982
2983  2981  H      1.955808   -8.745440    7.000315     2  2980
2984  2982  H      3.456568   -8.393323    6.880091     2  2980
2985  2983  O      4.928550   -2.314226    3.972856     1  2984  2985
2986  2984  H      4.114487   -2.498357    4.563047     2  2983
2987  2985  H      4.384194   -2.690708    3.207794     2  2983
2988  2986  O      9.145047   -4.787712    2.852588     1  2987  2988
2989  2987  H      9.343494   -5.664985    3.306160     2  2986
2990  2988  H      8.461128   -4.409769    3.497425     2  2986
2991  2989  O      4.171565   -8.394478   10.131603     1  2990  2991
2992  2990  H      3.328272   -7.869151    9.891155     2  2989
2993  2991  H      4.271793   -7.759921   10.913059     2  2989
2994  2992  O      5.143779  -12.563832   12.743742     1  2993  2994
2995  2993  H      4.382048  -13.104483   13.120809     2  2992
2996  2994  H      4.646967  -12.032206   12.038793     2  2992
2997  2995  O     -0.367204   -7.398050   11.060607     1  2996  2997
2998  2996  H     -0.517223   -8.378839   11.306519     2  2995
2999  2997  H     -0.234479   -7.232473   12.049722     2  2995
3000  2998  O      3.562250   -4.665036    9.563271     1  2999  3000
3001  2999  H      4.447043   -5.115769    9.393865     2  2998
3002  3000  H      2.946283   -5.467886    9.514089     2  2998
3003  3001  O      1.474301  -11.546983   12.421324     1  3002  3003
3004  3002  H      2.288364  -11.362852   11.831133     2  3001
3005  3003  H      2.018657  -11.170501   13.186386     2  3001
3006  3004  O     -2.742196   -9.073497   13.541592     1  3005  3006
3007  3005  H     -2.940643   -8.196224   13.088020     2  3004
3008  3006  H     -2.058277   -9.451440   12.896755     2  3004
3009  3007  O     -0.821097  -10.087134   11.727303     1  3008  3009
3010  3008  H      0.022196  -10.612461   11.967751     2  3007
3011  3009  H     -0.921325  -10.721691   10.945847     2  3007
3012  3010  O     -1.793311   -5.917780    9.115164     1  3011  3012
3013  3011  H     -1.031580   -5.377129    8.738097     2  3010
3014  3012  H     -1.296499   -6.449406    9.820113     2  3010
3015  3013  O      3.717672  -11.083562   10.798299     1  3014  3015
3016  3014  H      3.867691  -10.102773   10.552387     2  3013
3017  3015  H      3.584947  -11.249139    9.809184     2  3013
3018  3016  O     -0.211782  -13.816576   12.295635     1  3017  3018
3019  3017  H     -1.096575  -13.365843   12.465041     2  3016
3020  3018  H      0.404185  -13.013726   12.344817     2  3016
3021  3019  O      1.876167   -6.934629    9.437582     1  3020  3021
3022  3020  H      1.062104   -7.118760   10.027773     2  3019
3023  3021  H      1.331811   -7.311111    8.672520     2  3019
3024  3022  O      6.092664   -9.408115    8.317314     1  3023  3024
3025  3023  H      6.291111  -10.285388    8.770886     2  3022
3026  3024  H      5.408745   -9.030172    8.962151     2  3022
3027  3025  O     10.276331   12.622942   -6.262577     1  3026  3027
3028  3026  H      9.433038   13.148269   -6.503025     2  3025
3029  3027  H     10.376559   13.257499   -5.481121     2  3025
3030  3028  O     11.248545    8.453588   -3.650438     1  3029  3030
3031  3029  H     10.486814    7.912937   -3.273371     2  3028
3032  3030  H     10.751733    8.985214   -4.355387     2  3028
3033  3031  O      5.737562   13.619370   -5.333573     1  3032  3033
3034  3032  H      5.587543   12.638581   -5.087661     2  3031
3035  3033  H      5.870287   13.784947   -4.344458     2  3031
3036  3034  O      9.667016   16.352384   -6.830909     1  3035  3036
3037  3035  H     10.551809   15.901651   -7.000315     2  3034
3038  3036  H      9.051049   15.549534   -6.880091     2  3034
3039  3037  O      7.579067    9.470437   -3.972856     1  3038  3039
3040  3038  H      8.393130    9.654568   -4.563047     2  3037
3041  3039  H      8.123423    9.846919   -3.207794     2  3037
3042  3040  O      3.362570   11.943923   -2.852588     1  3041  3042
3043  3041  H      3.164123   12.821196   -3.306160     2  3040
3044  3042  H      4.046489   11.565980   -3.497425     2  3040
3045  3043  O      5.283669   10.930286   -4.666877     1  3044  3045
3046  3044  H      6.126962   10.404959   -4.426429     2  3043
3047  3045  H      5.183441   10.295729   -5.448333     2  3043
3048  3046  O      4.311455   15.099640   -7.279016     1  3047  3048
3049  3047  H      5.073186   15.640291   -7.656083     2  3046
3050  3048  H      4.808267   14.568014   -6.574067     2  3046
3051  3049  O      9.822438    9.933858   -5.595881     1  3050  3051
3052  3050  H      9.972457   10.914647   -5.841793     2  3049
3053  3051  H      9.689713    9.768281   -6.584996     2  3049
3054  3052  O      5.892984    7.200844   -4.098545     1  3053  3054
3055  3053  H      5.008191    7.651577   -3.929139     2  3052
3056  3054  H      6.508951    8.003694   -4.049363     2  3052
3057  3055  O      7.980933   14.082791   -6.956598     1  3056  3057
3058  3056  H      7.166870   13.898660   -6.366407     2  3055
3059  3057  H      7.436577   13.706309   -7.721660     2  3055
3060  3058  O     12.197430   11.609305   -8.076866     1  3059  3060
3061  3059  H     12.395877   10.732032   -7.623294     2  3058
3062  3060  H     11.513511   11.987248   -7.432029     2  3058
3063  3061  O      7.223948    8.002539   -0.797850     1  3062  3063
3064  3062  H      6.380655    8.527866   -1.038298     2  3061
3065  3063  H      7.324176    8.637096   -0.016394     2  3061
3066  3064  O      8.196162    3.833185    1.814289     1  3065  3066
3067  3065  H      7.434431    3.292534    2.191356     2  3064
3068  3066  H      7.699350    4.364811    1.109340     2  3064
3069  3067  O      2.685179    8.998967    0.131154     1  3068  3069
3070  3068  H      2.535160    8.018178    0.377066     2  3067
3071  3069  H      2.817904    9.164544    1.120269     2  3067
3072  3070  O      6.614633   11.731981   -1.366182     1  3071  3072
3073  3071  H      7.499426   11.281248   -1.535588     2  3070
3074  3072  H      5.998666   10.929131   -1.415364     2  3070
3075  3073  O      4.526684    4.850034    1.491871     1  3074  3075
3076  3074  H      5.340747    5.034165    0.901680     2  3073
3077  3075  H      5.071040    5.226516    2.256933     2  3073
3078  3076  O      0.310187    7.323520    2.612139     1  3077  3078
3079  3077  H      0.111740    8.200793    2.158567     2  3076
3080  3078  H      0.994106    6.945577    1.967302     2  3076
3081  3079  O      2.231286    6.309883    0.797850     1  3080  3081
3082  3080  H      3.074579    5.784556    1.038298     2  3079
3083  3081  H      2.131058    5.675326    0.016394     2  3079
3084  3082  O      1.259072   10.479237   -1.814289     1  3083  3084
3085  3083  H      2.020803   11.019888   -2.191356     2  3082
3086  3084  H      1.755884    9.947611   -1.109340     2  3082
3087  3085  O      6.770055    5.313455   -0.131154     1  3086  3087
3088  3086  H      6.920074    6.294244   -0.377066     2  3085
3089  3087  H      6.637330    5.147878   -1.120269     2  3085
3090  3088  O      2.840601    2.580441    1.366182     1  3089  3090
3091  3089  H      1.955808    3.031174    1.535588     2  3088
3092  3090  H      3.456568    3.383291    1.415364     2  3088
3093  3091  O      4.928550    9.462388   -1.491871     1  3092  3093
3094  3092  H      4.114487    9.278257   -0.901680     2  3091
3095  3093  H      4.384194    9.085906   -2.256933     2  3091
3096  3094  O      9.145047    6.988902   -2.612139     1  3095  3096
3097  3095  H      9.343494    6.111629   -2.158567     2  3094
3098  3096  H      8.461128    7.366845   -1.967302     2  3094
3099  3097  O      4.171565    3.382136    4.666877     1  3098  3099
3100  3098  H      3.328272    3.907463    4.426429     2  3097
3101  3099  H      4.271793    4.016693    5.448333     2  3097
3102  3100  O      5.143779   -0.787218    7.279016     1  3101  3102
3103  3101  H      4.382048   -1.327869    7.656083     2  3100
3104  3102  H      4.646967   -0.255592    6.574067     2  3100
3105  3103  O     -0.367204    4.378564    5.595881     1  3104  3105
3106  3104  H     -0.517223    3.397775    5.841793     2  3103
3107  3105  H     -0.234479    4.544141    6.584996     2  3103
3108  3106  O      3.562250    7.111578    4.098545     1  3107  3108
3109  3107  H      4.447043    6.660845    3.929139     2  3106
3110  3108  H      2.946283    6.308728    4.049363     2  3106
3111  3109  O      1.474301    0.229631    6.956598     1  3110  3111
3112  3110  H      2.288364    0.413762    6.366407     2  3109
3113  3111  H      2.018657    0.606113    7.721660     2  3109
3114  3112  O     -2.742196    2.703117    8.076866     1  3113  3114
3115  3113  H     -2.940643    3.580390    7.623294     2  3112
3116  3114  H     -2.058277    2.325174    7.432029     2  3112
3117  3115  O     -0.821097    1.689480    6.262577     1  3116  3117
3118  3116  H      0.022196    1.164153    6.503025     2  3115
3119  3117  H     -0.921325    1.054923    5.481121     2  3115
3120  3118  O     -1.793311    5.858834    3.650438     1  3119  3120
3121  3119  H     -1.031580    6.399485    3.273371     2  3118
3122  3120  H     -1.296499    5.327208    4.355387     2  3118
3123  3121  O      3.717672    0.693052    5.333573     1  3122  3123
3124  3122  H      3.867691    1.673841    5.087661     2  3121
3125  3123  H      3.584947    0.527475    4.344458     2  3121
3126  3124  O     -0.211782   -2.039962    6.830909     1  3125  3126
3127  3125  H     -1.096575   -1.589229    7.000315     2  3124
3128  3126  H      0.404185   -1.237112    6.880091     2  3124
3129  3127  O      1.876167    4.841985    3.972856     1  3128  3129
3130  3128  H      1.062104    4.657854    4.563047     2  3127
3131  3129  H      1.331811    4.465503    3.207794     2  3127
3132  3130  O      6.092664    2.368499    2.852588     1  3131  3132
3133  3131  H      6.291111    1.491226    3.306160     2  3130
3134  3132  H      5.408745    2.746442    3.497425     2  3130
3135  3133  O      1.119183   -1.238266   10.131603     1  3134  3135
3136  3134  H      0.275890   -0.712939    9.891155     2  3133
3137  3135  H      1.219411   -0.603709   10.913059     2  3133
3138  3136  O      2.091397   -5.407620   12.743742     1  3137  3138
3139  3137  H      1.329666   -5.948271   13.120809     2  3136
3140  3138  H      1.594585   -4.875994   12.038793     2  3136
3141  3139  O     -3.419586   -0.241838   11.060607     1  3140  3141
3142  3140  H     -3.569605   -1.222627   11.306519     2  3139
3143  3141  H     -3.286861   -0.076261   12.049722     2  3139
3144  3142  O      0.509868    2.491176    9.563271     1  3143  3144
3145  3143  H      1.394661    2.040443    9.393865     2  3142
3146  3144  H     -0.106099    1.688326    9.514089     2  3142
3147  3145  O     -1.578081   -4.390771   12.421324     1  3146  3147
3148  3146  H     -0.764018   -4.206640   11.831133     2  3145
3149  3147  H     -1.033725   -4.014289   13.186386     2  3145
3150  3148  O     -5.794578   -1.917285   13.541592     1  3149  3150
3151  3149  H     -5.993025   -1.040012   13.088020     2  3148
3152  3150  H     -5.110659   -2.295228   12.896755     2  3148
3153  3151  O     -3.873479   -2.930922   11.727303     1  3152  3153
3154  3152  H     -3.030186   -3.456249   11.967751     2  3151
3155  3153  H     -3.973707   -3.565479   10.945847     2  3151
3156  3154  O     -4.845693    1.238432    9.115164     1  3155  3156
3157  3155  H     -4.083962    1.779083    8.738097     2  3154
3158  3156  H     -4.348881    0.706806    9.820113     2  3154
3159  3157  O      0.665290   -3.927350   10.798299     1  3158  3159
3160  3158  H      0.815309   -2.946561   10.552387     2  3157
3161  3159  H      0.532565   -4.092927    9.809184     2  3157
3162  3160  O     -3.264164   -6.660364   12.295635     1  3161  3162
3163  3161  H     -4.148957   -6.209631   12.465041     2  3160
3164  3162  H     -2.648197   -5.857514   12.344817     2  3160
3165  3163  O     -1.176215    0.221583    9.437582     1  3164  3165
3166  3164  H     -1.990278    0.037452   10.027773     2  3163
3167  3165  H     -1.720571   -0.154899    8.672520     2  3163
3168  3166  O      3.040282   -2.251903    8.317314     1  3167  3168
3169  3167  H      3.238729   -3.129176    8.770886     2  3166
3170  3168  H      2.356363   -1.873960    8.962151     2  3166
3171  3169  O      7.223948   19.779153   -6.262577     1  3170  3171
3172  3170  H      6.380655   20.304480   -6.503025     2  3169
3173  3171  H      7.324176   20.413710   -5.481121     2  3169
3174  3172  O      8.196162   15.609799   -3.650438     1  3173  3174
3175  3173  H      7.434431   15.069148   -3.273371     2  3172
3176  3174  H      7.699350   16.141425   -4.355387     2  3172
3177  3175  O      2.685179   20.775581   -5.333573     1  3176  3177
3178  3176  H      2.535160   19.794792   -5.087661     2  3175
3179  3177  H      2.817904   20.941158   -4.344458     2  3175
3180  3178  O      6.614633   23.508595   -6.830909     1  3179  3180
3181  3179  H      7.499426   23.057862   -7.000315     2  3178
3182  3180  H      5.998666   22.705745   -6.880091     2  3178
3183  3181  O      4.526684   16.626648   -3.972856     1  3182  3183
3184  3182  H      5.340747   16.810779   -4.563047     2  3181
3185  3183  H      5.071040   17.003130   -3.207794     2  3181
3186  3184  O      0.310187   19.100134   -2.852588     1  3185  3186
3187  3185  H      0.111740   19.977407   -3.306160     2  3184
3188  3186  H      0.994106   18.722191   -3.497425     2  3184
3189  3187  O      2.231286   18.086497   -4.666877     1  3188  3189
3190  3188  H      3.074579   17.561170   -4.426429     2  3187
3191  3189  H      2.131058   17.451940   -5.448333     2  3187
3192  3190  O      1.259072   22.255851   -7.279016     1  3191  3192
3193  3191  H      2.020803   22.796502   -7.656083     2  3190
3194  3192  H      1.755884   21.724225   -6.574067     2  3190
3195  3193  O      6.770055   17.090069   -5.595881     1  3194  3195
3196  3194  H      6.920074   18.070858   -5.841793     2  3193
3197  3195  H      6.637330   16.924492   -6.584996     2  3193
3198  3196  O      2.840601   14.357055   -4.098545     1  3197  3198
3199  3197  H      1.955808   14.807788   -3.929139     2  3196
3200  3198  H      3.456568   15.159905   -4.049363     2  3196
3201  3199  O      4.928550   21.239002   -6.956598     1  3200  3201
3202  3200  H      4.114487   21.054871   -6.366407     2  3199
3203  3201  H      4.384194   20.862520   -7.721660     2  3199
3204  3202  O      9.145047   18.765516   -8.076866     1  3203  3204
3205  3203  H      9.343494   17.888243   -7.623294     2  3202
3206  3204  H      8.461128   19.143459   -7.432029     2  3202
3207  3205  O      4.171565   15.158750   -0.797850     1  3206  3207
3208  3206  H      3.328272   15.684077   -1.038298     2  3205
3209  3207  H      4.271793   15.793307   -0.016394     2  3205
3210  3208  O      5.143779   10.989396    1.814289     1  3209  3210
3211  3209  H      4.382048   10.448745    2.191356     2  3208
3212  3210  H      4.646967   11.521022    1.109340     2  3208
3213  3211  O     -0.367204   16.155178    0.131154     1  3212  3213
3214  3212  H     -0.517223   15.174389    0.377066     2  3211
3215  3213  H     -0.234479   16.320755    1.120269     2  3211
3216  3214  O      3.562250   18.888192   -1.366182     1  3215  3216
3217  3215  H      4.447043   18.437459   -1.535588     2  3214
3218  3216  H      2.946283   18.085342   -1.415364     2  3214
3219  3217  O      1.474301   12.006245    1.491871     1  3218  3219
3220  3218  H      2.288364   12.190376    0.901680     2  3217
3221  3219  H      2.018657   12.382727    2.256933     2  3217
3222  3220  O     -2.742196   14.479731    2.612139     1  3221  3222
3223  3221  H     -2.940643   15.357004    2.158567     2  3220
3224  3222  H     -2.058277   14.101788    1.967302     2  3220
3225  3223  O     -0.821097   13.466094    0.797850     1  3224  3225
3226  3224  H      0.022196   12.940767    1.038298     2  3223
3227  3225  H     -0.921325   12.831537    0.016394     2  3223
3228  3226  O     -1.793311   17.635448   -1.814289     1  3227  3228
3229  3227  H     -1.031580   18.176099   -2.191356     2  3226
3230  3228  H     -1.296499   17.103822   -1.109340     2  3226
3231  3229  O      3.717672   12.469666   -0.131154     1  3230  3231
3232  3230  H      3.867691   13.450455   -0.377066     2  3229
3233  3231  H      3.584947   12.304089   -1.120269     2  3229
3234  3232  O     -0.211782    9.736652    1.366182     1  3233  3234
3235  3233  H     -1.096575   10.187385    1.535588     2  3232
3236  3234  H      0.404185   10.539502    1.415364     2  3232
3237  3235  O      1.876167   16.618599   -1.491871     1  3236  3237
3238  3236  H      1.062104   16.434468   -0.901680     2  3235
3239  3237  H      1.331811   16.242117   -2.256933     2  3235
3240  3238  O      6.092664   14.145113   -2.612139     1  3239  3240
3241  3239  H      6.291111   13.267840   -2.158567     2  3238
3242  3240  H      5.408745   14.523056   -1.967302     2  3238
3243  3241  O      1.119183   10.538348    4.666877     1  3242  3243
3244  3242  H      0.275890   11.063675    4.426429     2  3241
3245  3243  H      1.219411   11.172905    5.448333     2  3241
3246  3244  O      2.091397    6.368994    7.279016     1  3245  3246
3247  3245  H      1.329666    5.828343    7.656083     2  3244
3248  3246  H      1.594585    6.900620    6.574067     2  3244
3249  3247  O     -3.419586   11.534776    5.595881     1  3248  3249
3250  3248  H     -3.569605   10.553987    5.841793     2  3247
3251  3249  H     -3.286861   11.700353    6.584996     2  3247
3252  3250  O      0.509868   14.267790    4.098545     1  3251  3252
3253  3251  H      1.394661   13.817057    3.929139     2  3250
3254  3252  H     -0.106099   13.464940    4.049363     2  3250
3255  3253  O     -1.578081    7.385843    6.956598     1  3254  3255
3256  3254  H     -0.764018    7.569974    6.366407     2  3253
3257  3255  H     -1.033725    7.762325    7.721660     2  3253
3258  3256  O     -5.794578    9.859329    8.076866     1  3257  3258
3259  3257  H     -5.993025   10.736602    7.623294     2  3256
3260  3258  H     -5.110659    9.481386    7.432029     2  3256
3261  3259  O     -3.873479    8.845692    6.262577     1  3260  3261
3262  3260  H     -3.030186    8.320365    6.503025     2  3259
3263  3261  H     -3.973707    8.211135    5.481121     2  3259
3264  3262  O     -4.845693   13.015046    3.650438     1  3263  3264
3265  3263  H     -4.083962   13.555697    3.273371     2  3262
3266  3264  H     -4.348881   12.483420    4.355387     2  3262
3267  3265  O      0.665290    7.849264    5.333573     1  3266  3267
3268  3266  H      0.815309    8.830053    5.087661     2  3265
3269  3267  H      0.532565    7.683687    4.344458     2  3265
3270  3268  O     -3.264164    5.116250    6.830909     1  3269  3270
3271  3269  H     -4.148957    5.566983    7.000315     2  3268
3272  3270  H     -2.648197    5.919100    6.880091     2  3268
3273  3271  O     -1.176215   11.998197    3.972856     1  3272  3273
3274  3272  H     -1.990278   11.814066    4.563047     2  3271
3275  3273  H     -1.720571   11.621715    3.207794     2  3271
3276  3274  O      3.040282    9.524711    2.852588     1  3275  3276
3277  3275  H      3.238729    8.647438    3.306160     2  3274
3278  3276  H      2.356363    9.902654    3.497425     2  3274
3279  3277  O     -1.933200    5.917945   10.131603     1  3278  3279
3280  3278  H     -2.776493    6.443272    9.891155     2  3277
3281  3279  H     -1.832972    6.552502   10.913059     2  3277
3282  3280  O     -0.960986    1.748591   12.743742     1  3281  3282
3283  3281  H     -1.722717    1.207940   13.120809     2  3280
3284  3282  H     -1.457798    2.280217   12.038793     2  3280
3285  3283  O     -6.471969    6.914373   11.060607     1  3284  3285
3286  3284  H     -6.621988    5.933584   11.306519     2  3283
3287  3285  H     -6.339244    7.079950   12.049722     2  3283
3288  3286  O     -2.542515    9.647387    9.563271     1  3287  3288
3289  3287  H     -1.657722    9.196654    9.393865     2  3286
3290  3288  H     -3.158482    8.844537    9.514089     2  3286
3291  3289  O     -4.630464    2.765440   12.421324     1  3290  3291
3292  3290  H     -3.816401    2.949571   11.831133     2  3289
3293  3291  H     -4.086108    3.141922   13.186386     2  3289
3294  3292  O     -8.846961    5.238926   13.541592     1  3293  3294
3295  3293  H     -9.045408    6.116199   13.088020     2  3292
3296  3294  H     -8.163042    4.860983   12.896755     2  3292
3297  3295  O     -6.925862    4.225289   11.727303     1  3296  3297
3298  3296  H     -6.082569    3.699962   11.967751     2  3295
3299  3297  H     -7.026090    3.590732   10.945847     2  3295
3300  3298  O     -7.898076    8.394643    9.115164     1  3299  3300
3301  3299  H     -7.136345    8.935294    8.738097     2  3298
3302  3300  H     -7.401264    7.863017    9.820113     2  3298
3303  3301  O     -2.387093    3.228861   10.798299     1  3302  3303
3304  3302  H     -2.237074    4.209650   10.552387     2  3301
3305  3303  H     -2.519818    3.063284    9.809184     2  3301
3306  3304  O     -6.316547    0.495847   12.295635     1  3305  3306
3307  3305  H     -7.201340    0.946580   12.465041     2  3304
3308  3306  H     -5.700580    1.298697   12.344817     2  3304
3309  3307  O     -4.228598    7.377794    9.437582     1  3308  3309
3310  3308  H     -5.042661    7.193663   10.027773     2  3307
3311  3309  H     -4.772954    7.001312    8.672520     2  3307
3312  3310  O     -0.012101    4.904308    8.317314     1  3311  3312
3313  3311  H      0.186346    4.027035    8.770886     2  3310
3314  3312  H     -0.696020    5.282251    8.962151     2  3310
3315  3313  O      4.171565   26.935365   -6.262577     1  3314  3315
3316  3314  H      3.328272   27.460692   -6.503025     2  3313
3317  3315  H      4.271793   27.569922   -5.481121     2  3313
3318  3316  O      5.143779   22.766011   -3.650438     1  3317  3318
3319  3317  H      4.382048   22.225360   -3.273371     2  3316
3320  3318  H      4.646967   23.297637   -4.355387     2  3316
3321  3319  O     -0.367204   27.931793   -5.333573     1  3320  3321
3322  3320  H     -0.517223   26.951004   -5.087661     2  3319
3323  3321  H     -0.234479   28.097370   -4.344458     2  3319
3324  3322  O      3.562250   30.664807   -6.830909     1  3323  3324
3325  3323  H      4.447043   30.214074   -7.000315     2  3322
3326  3324  H      2.946283   29.861957   -6.880091     2  3322
3327  3325  O      1.474301   23.782860   -3.972856     1  3326  3327
3328  3326  H      2.288364   23.966991   -4.563047     2  3325
3329  3327  H      2.018657   24.159342   -3.207794     2  3325
3330  3328  O     -2.742196   26.256346   -2.852588     1  3329  3330
3331  3329  H     -2.940643   27.133619   -3.306160     2  3328
3332  3330  H     -2.058277   25.878403   -3.497425     2  3328
3333  3331  O     -0.821097   25.242709   -4.666877     1  3332  3333
3334  3332  H      0.022196   24.717382   -4.426429     2  3331
3335  3333  H     -0.921325   24.608152   -5.448333     2  3331
3336  3334  O     -1.793311   29.412063   -7.279016     1  3335  3336
3337  3335  H     -1.031580   29.952714   -7.656083     2  3334
3338  3336  H     -1.296499   28.880437   -6.574067     2  3334
3339  3337  O      3.717672   24.246281   -5.595881     1  3338  3339
3340  3338  H      3.867691   25.227070   -5.841793     2  3337
3341  3339  H      3.584947   24.080704   -6.584996     2  3337
3342  3340  O     -0.211782   21.513267   -4.098545     1  3341  3342
3343  3341  H     -1.096575   21.964000   -3.929139     2  3340
3344  3342  H      0.404185   22.316117   -4.049363     2  3340
3345  3343  O      1.876167   28.395214   -6.956598     1  3344  3345
3346  3344  H      1.062104   28.211083   -6.366407     2  3343
3347  3345  H      1.331811   28.018732   -7.721660     2  3343
3348  3346  O      6.092664   25.921728   -8.076866     1  3347  3348
3349  3347  H      6.291111   25.044455   -7.623294     2  3346
3350  3348  H      5.408745   26.299671   -7.432029     2  3346
3351  3349  O      1.119183   22.314962   -0.797850     1  3350  3351
3352  3350  H      0.275890   22.840289   -1.038298     2  3349
3353  3351  H      1.219411   22.949519   -0.016394     2  3349
3354  3352  O      2.091397   18.145608    1.814289     1  3353  3354
3355  3353  H      1.329666   17.604957    2.191356     2  3352
3356  3354  H      1.594585   18.677234    1.109340     2  3352
3357  3355  O     -3.419586   23.311390    0.131154     1  3356  3357
3358  3356  H     -3.569605   22.330601    0.377066     2  3355
3359  3357  H     -3.286861   23.476967    1.120269     2  3355
3360  3358  O      0.509868   26.044404   -1.366182     1  3359  3360
3361  3359  H      1.394661   25.593671   -1.535588     2  3358
3362  3360  H     -0.106099   25.241554   -1.415364     2  3358
3363  3361  O     -1.578081   19.162457    1.491871     1  3362  3363
3364  3362  H     -0.764018   19.346588    0.901680     2  3361
3365  3363  H     -1.033725   19.538939    2.256933     2  3361
3366  3364  O     -5.794578   21.635943    2.612139     1  3365  3366
3367  3365  H     -5.993025   22.513216    2.158567     2  3364
3368  3366  H     -5.110659   21.258000    1.967302     2  3364
3369  3367  O     -3.873479   20.622306    0.797850     1  3368  3369
3370  3368  H     -3.030186   20.096979    1.038298     2  3367
3371  3369  H     -3.973707   19.987749    0.016394     2  3367
3372  3370  O     -4.845693   24.791660   -1.814289     1  3371  3372
3373  3371  H     -4.083962   25.332311   -2.191356     2  3370
3374  3372  H     -4.348881   24.260034   -1.109340     2  3370
3375  3373  O      0.665290   19.625878   -0.131154     1  3374  3375
3376  3374  H      0.815309   20.606667   -0.377066     2  3373
3377  3375  H      0.532565   19.460301   -1.120269     2  3373
3378  3376  O     -3.264164   16.892864    1.366182     1  3377  3378
3379  3377  H     -4.148957   17.343597    1.535588     2  3376
3380  3378  H     -2.648197   17.695714    1.415364     2  3376
3381  3379  O     -1.176215   23.774811   -1.491871     1  3380  3381
3382  3380  H     -1.990278   23.590680   -0.901680     2  3379
3383  3381  H     -1.720571   23.398329   -2.256933     2  3379
3384  3382  O      3.040282   21.301325   -2.612139     1  3383  3384
3385  3383  H      3.238729   20.424052   -2.158567     2  3382
3386  3384  H      2.356363   21.679268   -1.967302     2  3382
3387  3385  O     -1.933200   17.694559    4.666877     1  3386  3387
3388  3386  H     -2.776493   18.219886    4.426429     2  3385
3389  3387  H     -1.832972   18.329116    5.448333     2  3385
3390  3388  O     -0.960986   13.525205    7.279016     1  3389  3390
3391  3389  H     -1.722717   12.984554    7.656083     2  3388
3392  3390  H     -1.457798   14.056831    6.574067     2  3388
3393  3391  O     -6.471969   18.690987    5.595881     1  3392  3393
3394  3392  H     -6.621988   17.710198    5.841793     2  3391
3395  3393  H     -6.339244   18.856564    6.584996     2  3391
3396  3394  O     -2.542515   21.424001    4.098545     1  3395  3396
3397  3395  H     -1.657722   20.973268    3.929139     2  3394
3398  3396  H     -3.158482   20.621151    4.049363     2  3394
3399  3397  O     -4.630464   14.542054    6.956598     1  3398  3399
3400  3398  H     -3.816401   14.726185    6.366407     2  3397
3401  3399  H     -4.086108   14.918536    7.721660     2  3397
3402  3400  O     -8.846961   17.015540    8.076866     1  3401  3402
3403  3401  H     -9.045408   17.892813    7.623294     2  3400
3404  3402  H     -8.163042   16.637597    7.432029     2  3400
3405  3403  O     -6.925862   16.001903    6.262577     1  3404  3405
3406  3404  H     -6.082569   15.476576    6.503025     2  3403
3407  3405  H     -7.026090   15.367346    5.481121     2  3403
3408  3406  O     -7.898076   20.171257    3.650438     1  3407  3408
3409  3407  H     -7.136345   20.711908    3.273371     2  3406
3410  3408  H     -7.401264   19.639631    4.355387     2  3406
3411  3409  O     -2.387093   15.005475    5.333573     1  3410  3411
3412  3410  H     -2.237074   15.986264    5.087661     2  3409
3413  3411  H     -2.519818   14.839898    4.344458     2  3409
3414  3412  O     -6.316547   12.272461    6.830909     1  3413  3414
3415  3413  H     -7.201340   12.723194    7.000315     2  3412
3416  3414  H     -5.700580   13.075311    6.880091     2  3412
3417  3415  O     -4.228598   19.154408    3.972856     1  3416  3417
3418  3416  H     -5.042661   18.970277    4.563047     2  3415
3419  3417  H     -4.772954   18.777926    3.207794     2  3415
3420  3418  O     -0.012101   16.680922    2.852588     1  3419  3420
3421  3419  H      0.186346   15.803649    3.306160     2  3418
3422  3420  H     -0.696020   17.058865    3.497425     2  3418
3423  3421  O     -4.985583   13.074156   10.131603     1  3422  3423
3424  3422  H     -5.828876   13.599483    9.891155     2  3421
3425  3423  H     -4.885355   13.708713   10.913059     2  3421
3426  3424  O     -4.013369    8.904802   12.743742     1  3425  3426
3427  3425  H     -4.775100    8.364151   13.120809     2  3424
3428  3426  H     -4.510181    9.436428   12.038793     2  3424
3429  3427  O     -9.524352   14.070584   11.060607     1  3428  3429
3430  3428  H     -9.674371   13.089795   11.306519     2  3427
3431  3429  H     -9.391627   14.236161   12.049722     2  3427
3432  3430  O     -5.594898   16.803598    9.563271     1  3431  3432
3433  3431  H     -4.710105   16.352865    9.393865     2  3430
3434  3432  H     -6.210865   16.000748    9.514089     2  3430
3435  3433  O     -7.682847    9.921651   12.421324     1  3434  3435
3436  3434  H     -6.868784   10.105782   11.831133     2  3433
3437  3435  H     -7.138491   10.298133   13.186386     2  3433
3438  3436  O    -11.899344   12.395137   13.541592     1  3437  3438
3439  3437  H    -12.097791   13.272410   13.088020     2  3436
3440  3438  H    -11.215425   12.017194   12.896755     2  3436
3441  3439  O     -9.978245   11.381500   11.727303     1  3440  3441
3442  3440  H     -9.134952   10.856173   11.967751     2  3439
3443  3441  H    -10.078473   10.746943   10.945847     2  3439
3444  3442  O    -10.950459   15.550854    9.115164     1  3443  3444
3445  3443  H    -10.188728   16.091505    8.738097     2  3442
3446  3444  H    -10.453647   15.019228    9.820113     2  3442
3447  3445  O     -5.439476   10.385072   10.798299     1  3446  3447
3448  3446  H     -5.289457   11.365861   10.552387     2  3445
3449  3447  H     -5.572201   10.219495    9.809184     2  3445
3450  3448  O     -9.368930    7.652058   12.295635     1  3449  3450
3451  3449  H    -10.253723    8.102791   12.465041     2  3448
3452  3450  H     -8.752963    8.454908   12.344817     2  3448
3453  3451  O     -7.280981   14.534005    9.437582     1  3452  3453
3454  3452  H     -8.095044   14.349874   10.027773     2  3451
3455  3453  H     -7.825337   14.157523    8.672520     2  3451
3456  3454  O     -3.064484   12.060519    8.317314     1  3455  3456
3457  3455  H     -2.866037   11.183246    8.770886     2  3454
3458  3456  H     -3.748403   12.438462    8.962151     2  3454
3459  3457  O     27.213479   -8.845692   -6.262577     1  3458  3459
3460  3458  H     26.370186   -8.320365   -6.503025     2  3457
3461  3459  H     27.313707   -8.211135   -5.481121     2  3457
3462  3460  O     28.185693  -13.015046   -3.650438     1  3461  3462
3463  3461  H     27.423962  -13.555697   -3.273371     2  3460
3464  3462  H     27.688881  -12.483420   -4.355387     2  3460
3465  3463  O     22.674710   -7.849264   -5.333573     1  3464  3465
3466  3464  H     22.524691   -8.830053   -5.087661     2  3463
3467  3465  H     22.807435   -7.683687   -4.344458     2  3463
3468  3466  O     26.604164   -5.116250   -6.830909     1  3467  3468
3469  3467  H     27.488957   -5.566983   -7.000315     2  3466
3470  3468  H     25.988197   -5.919100   -6.880091     2  3466
3471  3469  O     24.516215  -11.998197   -3.972856     1  3470  3471
3472  3470  H     25.330278  -11.814066   -4.563047     2  3469
3473  3471  H     25.060571  -11.621715   -3.207794     2  3469
3474  3472  O     20.299718   -9.524711   -2.852588     1  3473  3474
3475  3473  H     20.101271   -8.647438   -3.306160     2  3472
3476  3474  H     20.983637   -9.902654   -3.497425     2  3472
3477  3475  O     22.220817  -10.538348   -4.666877     1  3476  3477
3478  3476  H     23.064110  -11.063675   -4.426429     2  3475
3479  3477  H     22.120589  -11.172905   -5.448333     2  3475
3480  3478  O     21.248603   -6.368994   -7.279016     1  3479  3480
3481  3479  H     22.010334   -5.828343   -7.656083     2  3478
3482  3480  H     21.745415   -6.900620   -6.574067     2  3478
3483  3481  O     26.759586  -11.534776   -5.595881     1  3482  3483
3484  3482  H     26.909605  -10.553987   -5.841793     2  3481
3485  3483  H     26.626861  -11.700353   -6.584996     2  3481
3486  3484  O     22.830132  -14.267790   -4.098545     1  3485  3486
3487  3485  H     21.945339  -13.817057   -3.929139     2  3484
3488  3486  H     23.446099  -13.464940   -4.049363     2  3484
3489  3487  O     24.918081   -7.385843   -6.956598     1  3488  3489
3490  3488  H     24.104018   -7.569974   -6.366407     2  3487
3491  3489  H     24.373725   -7.762325   -7.721660     2  3487
3492  3490  O     29.134578   -9.859329   -8.076866     1  3491  3492
3493  3491  H     29.333025  -10.736602   -7.623294     2  3490
3494  3492  H     28.450659   -9.481386   -7.432029     2  3490
3495  3493  O     24.161097  -13.466094   -0.797850     1  3494  3495
3496  3494  H     23.317804  -12.940767   -1.038298     2  3493
3497  3495  H     24.261325  -12.831537   -0.016394     2  3493
3498  3496  O     25.133311  -17.635448    1.814289     1  3497  3498
3499  3497  H     24.371580  -18.176099    2.191356     2  3496
3500  3498  H     24.636499  -17.103822    1.109340     2  3496
3501  3499  O     19.622328  -12.469666    0.131154     1  3500  3501
3502  3500  H     19.472309  -13.450455    0.377066     2  3499
3503  3501  H     19.755053  -12.304089    1.120269     2  3499
3504  3502  O     23.551782   -9.736652   -1.366182     1  3503  3504
3505  3503  H     24.436575  -10.187385   -1.535588     2  3502
3506  3504  H     22.935815  -10.539502   -1.415364     2  3502
3507  3505  O     21.463833  -16.618599    1.491871     1  3506  3507
3508  3506  H     22.277896  -16.434468    0.901680     2  3505
3509  3507  H     22.008189  -16.242117    2.256933     2  3505
3510  3508  O     17.247336  -14.145113    2.612139     1  3509  3510
3511  3509  H     17.048889  -13.267840    2.158567     2  3508
3512  3510  H     17.931255  -14.523056    1.967302     2  3508
3513  3511  O     19.168435  -15.158750    0.797850     1  3512  3513
3514  3512  H     20.011728  -15.684077    1.038298     2  3511
3515  3513  H     19.068207  -15.793307    0.016394     2  3511
3516  3514  O     18.196221  -10.989396   -1.814289     1  3515  3516
3517  3515  H     18.957952  -10.448745   -2.191356     2  3514
3518  3516  H     18.693033  -11.521022   -1.109340     2  3514
3519  3517  O     23.707204  -16.155178   -0.131154     1  3518  3519
3520  3518  H     23.857223  -15.174389   -0.377066     2  3517
3521  3519  H     23.574479  -16.320755   -1.120269     2  3517
3522  3520  O     19.777750  -18.888192    1.366182     1  3521  3522
3523  3521  H     18.892957  -18.437459    1.535588     2  3520
3524  3522  H     20.393717  -18.085342    1.415364     2  3520
3525  3523  O     21.865699  -12.006245   -1.491871     1  3524  3525
3526  3524  H     21.051636  -12.190376   -0.901680     2  3523
3527  3525  H     21.321343  -12.382727   -2.256933     2  3523
3528  3526  O     26.082196  -14.479731   -2.612139     1  3527  3528
3529  3527  H     26.280643  -15.357004   -2.158567     2  3526
3530  3528  H     25.398277  -14.101788   -1.967302     2  3526
3531  3529  O     21.108714  -18.086497    4.666877     1  3530  3531
3532  3530  H     20.265421  -17.561170    4.426429     2  3529
3533  3531  H     21.208942  -17.451940    5.448333     2  3529
3534  3532  O     22.080928  -22.255851    7.279016     1  3533  3534
3535  3533  H     21.319197  -22.796502    7.656083     2  3532
3536  3534  H     21.584116  -21.724225    6.574067     2  3532
3537  3535  O     16.569945  -17.090069    5.595881     1  3536  3537
3538  3536  H     16.419926  -18.070858    5.841793     2  3535
3539  3537  H     16.702670  -16.924492    6.584996     2  3535
3540  3538  O     20.499399  -14.357055    4.098545     1  3539  3540
3541  3539  H     21.384192  -14.807788    3.929139     2  3538
3542  3540  H     19.883432  -15.159905    4.049363     2  3538
3543  3541  O     18.411450  -21.239002    6.956598     1  3542  3543
3544  3542  H     19.225513  -21.054871    6.366407     2  3541
3545  3543  H     18.955806  -20.862520    7.721660     2  3541
3546  3544  O     14.194953  -18.765516    8.076866     1  3545  3546
3547  3545  H     13.996506  -17.888243    7.623294     2  3544
3548  3546  H     14.878872  -19.143459    7.432029     2  3544
3549  3547  O     16.116052  -19.779153    6.262577     1  3548  3549
3550  3548  H     16.959345  -20.304480    6.503025     2  3547
3551  3549  H     16.015824  -20.413710    5.481121     2  3547
3552  3550  O     15.143838  -15.609799    3.650438     1  3551  3552
3553  3551  H     15.905569  -15.069148    3.273371     2  3550
3554  3552  H     15.640650  -16.141425    4.355387     2  3550
3555  3553  O     20.654821  -20.775581    5.333573     1  3554  3555
3556  3554  H     20.804840  -19.794792    5.087661     2  3553
3557  3555  H     20.522096  -20.941158    4.344458     2  3553
3558  3556  O     16.725367  -23.508595    6.830909     1  3557  3558
3559  3557  H     15.840574  -23.057862    7.000315     2  3556
3560  3558  H     17.341334  -22.705745    6.880091     2  3556
3561  3559  O     18.813316  -16.626648    3.972856     1  3560  3561
3562  3560  H     17.999253  -16.810779    4.563047     2  3559
3563  3561  H     18.268960  -17.003130    3.207794     2  3559
3564  3562  O     23.029813  -19.100134    2.852588     1  3563  3564
3565  3563  H     23.228260  -19.977407    3.306160     2  3562
3566  3564  H     22.345894  -18.722191    3.497425     2  3562
3567  3565  O     18.056331  -22.706900   10.131603     1  3566  3567
3568  3566  H     17.213038  -22.181573    9.891155     2  3565
3569  3567  H     18.156559  -22.072343   10.913059     2  3565
3570  3568  O     19.028545  -26.876254   12.743742     1  3569  3570
3571  3569  H     18.266814  -27.416905   13.120809     2  3568
3572  3570  H     18.531733  -26.344628   12.038793     2  3568
3573  3571  O     13.517562  -21.710472   11.060607     1  3572  3573
3574  3572  H     13.367543  -22.691261   11.306519     2  3571
3575  3573  H     13.650287  -21.544895   12.049722     2  3571
3576  3574  O     17.447016  -18.977458    9.563271     1  3575  3576
3577  3575  H     18.331809  -19.428191    9.393865     2  3574
3578  3576  H     16.831049  -19.780308    9.514089     2  3574
3579  3577  O     15.359067  -25.859405   12.421324     1  3578  3579
3580  3578  H     16.173130  -25.675274   11.831133     2  3577
3581  3579  H     15.903423  -25.482923   13.186386     2  3577
3582  3580  O     11.142570  -23.385919   13.541592     1  3581  3582
3583  3581  H     10.944123  -22.508646   13.088020     2  3580
3584  3582  H     11.826489  -23.763862   12.896755     2  3580
3585  3583  O     13.063669  -24.399556   11.727303     1  3584  3585
3586  3584  H     13.906962  -24.924883   11.967751     2  3583
3587  3585  H     12.963441  -25.034113   10.945847     2  3583
3588  3586  O     12.091455  -20.230202    9.115164     1  3587  3588
3589  3587  H     12.853186  -19.689551    8.738097     2  3586
3590  3588  H     12.588267  -20.761828    9.820113     2  3586
3591  3589  O     17.602438  -25.395984   10.798299     1  3590  3591
3592  3590  H     17.752457  -24.415195   10.552387     2  3589
3593  3591  H     17.469713  -25.561561    9.809184     2  3589
3594  3592  O     13.672984  -28.128998   12.295635     1  3593  3594
3595  3593  H     12.788191  -27.678265   12.465041     2  3592
3596  3594  H     14.288951  -27.326148   12.344817     2  3592
3597  3595  O     15.760933  -21.247051    9.437582     1  3596  3597
3598  3596  H     14.946870  -21.431182   10.027773     2  3595
3599  3597  H     15.216577  -21.623533    8.672520     2  3595
3600  3598  O     19.977430  -23.720537    8.317314     1  3599  3600
3601  3599  H     20.175877  -24.597810    8.770886     2  3598
3602  3600  H     19.293511  -23.342594    8.962151     2  3598
3603  3601  O     24.161097   -1.689480   -6.262577     1  3602  3603
3604  3602  H     23.317804   -1.164153   -6.503025     2  3601
3605  3603  H     24.261325   -1.054923   -5.481121     2  3601
3606  3604  O     25.133311   -5.858834   -3.650438     1  3605  3606
3607  3605  H     24.371580   -6.399485   -3.273371     2  3604
3608  3606  H     24.636499   -5.327208   -4.355387     2  3604
3609  3607  O     19.622328   -0.693052   -5.333573     1  3608  3609
3610  3608  H     19.472309   -1.673841   -5.087661     2  3607
3611  3609  H     19.755053   -0.527475   -4.344458     2  3607
3612  3610  O     23.551782    2.039962   -6.830909     1  3611  3612
3613  3611  H     24.436575    1.589229   -7.000315     2  3610
3614  3612  H     22.935815    1.237112   -6.880091     2  3610
3615  3613  O     21.463833   -4.841985   -3.972856     1  3614  3615
3616  3614  H     22.277896   -4.657854   -4.563047     2  3613
3617  3615  H     22.008189   -4.465503   -3.207794     2  3613
3618  3616  O     17.247336   -2.368499   -2.852588     1  3617  3618
3619  3617  H     17.048889   -1.491226   -3.306160     2  3616
3620  3618  H     17.931255   -2.746442   -3.497425     2  3616
3621  3619  O     19.168435   -3.382136   -4.666877     1  3620  3621
3622  3620  H     20.011728   -3.907463   -4.426429     2  3619
3623  3621  H     19.068207   -4.016693   -5.448333     2  3619
3624  3622  O     18.196221    0.787218   -7.279016     1  3623  3624
3625  3623  H     18.957952    1.327869   -7.656083     2  3622
3626  3624  H     18.693033    0.255592   -6.574067     2  3622
3627  3625  O     23.707204   -4.378564   -5.595881     1  3626  3627
3628  3626  H     23.857223   -3.397775   -5.841793     2  3625
3629  3627  H     23.574479   -4.544141   -6.584996     2  3625
3630  3628  O     19.777750   -7.111578   -4.098545     1  3629  3630
3631  3629  H     18.892957   -6.660845   -3.929139     2  3628
3632  3630  H     20.393717   -6.308728   -4.049363     2  3628
3633  3631  O     21.865699   -0.229631   -6.956598     1  3632  3633
3634  3632  H     21.051636   -0.413762   -6.366407     2  3631
3635  3633  H     21.321343   -0.606113   -7.721660     2  3631
3636  3634  O     26.082196   -2.703117   -8.076866     1  3635  3636
3637  3635  H     26.280643   -3.580390   -7.623294     2  3634
3638  3636  H     25.398277   -2.325174   -7.432029     2  3634
3639  3637  O     21.108714   -6.309883   -0.797850     1  3638  3639
3640  3638  H     20.265421   -5.784556   -1.038298     2  3637
3641  3639  H     21.208942   -5.675326   -0.016394     2  3637
3642  3640  O     22.080928  -10.479237    1.814289     1  3641  3642
3643  3641  H     21.319197  -11.019888    2.191356     2  3640
3644  3642  H     21.584116   -9.947611    1.109340     2  3640
3645  3643  O     16.569945   -5.313455    0.131154     1  3644  3645
3646  3644  H     16.419926   -6.294244    0.377066     2  3643
3647  3645  H     16.702670   -5.147878    1.120269     2  3643
3648  3646  O     20.499399   -2.580441   -1.366182     1  3647  3648
3649  3647  H     21.384192   -3.031174   -1.535588     2  3646
3650  3648  H     19.883432   -3.383291   -1.415364     2  3646
3651  3649  O     18.411450   -9.462388    1.491871     1  3650  3651
3652  3650  H     19.225513   -9.278257    0.901680     2  3649
3653  3651  H     18.955806   -9.085906    2.256933     2  3649
3654  3652  O     14.194953   -6.988902    2.612139     1  3653  3654
3655  3653  H     13.996506   -6.111629    2.158567     2  3652
3656  3654  H     14.878872   -7.366845    1.967302     2  3652
3657  3655  O     16.116052   -8.002539    0.797850     1  3656  3657
3658  3656  H     16.959345   -8.527866    1.038298     2  3655
3659  3657  H     16.015824   -8.637096    0.016394     2  3655
3660  3658  O     15.143838   -3.833185   -1.814289     1  3659  3660
3661  3659  H     15.905569   -3.292534   -2.191356     2  3658
3662  3660  H     15.640650   -4.364811   -1.109340     2  3658
3663  3661  O     20.654821   -8.998967   -0.131154     1  3662  3663
3664  3662  H     20.804840   -8.018178   -0.377066     2  3661
3665  3663  H     20.522096   -9.164544   -1.120269     2  3661
3666  3664  O     16.725367  -11.731981    1.366182     1  3665  3666
3667  3665  H     15.840574  -11.281248    1.535588     2  3664
3668  3666  H     17.341334  -10.929131    1.415364     2  3664
3669  3667  O     18.813316   -4.850034   -1.491871     1  3668  3669
3670  3668  H     17.999253   -5.034165   -0.901680     2  3667
3671  3669  H     18.268960   -5.226516   -2.256933     2  3667
3672  3670  O     23.029813   -7.323520   -2.612139     1  3671  3672
3673  3671  H     23.228260   -8.200793   -2.158567     2  3670
3674  3672  H     22.345894   -6.945577   -1.967302     2  3670
3675  3673  O     18.056331  -10.930286    4.666877     1  3674  3675
3676  3674  H     17.213038  -10.404959    4.426429     2  3673
3677  3675  H     18.156559  -10.295729    5.448333     2  3673
3678  3676  O     19.028545  -15.099640    7.279016     1  3677  3678
3679  3677  H     18.266814  -15.640291    7.656083     2  3676
3680  3678  H     18.531733  -14.568014    6.574067     2  3676
3681  3679  O     13.517562   -9.933858    5.595881     1  3680  3681
3682  3680  H     13.367543  -10.914647    5.841793     2  3679
3683  3681  H     13.650287   -9.768281    6.584996     2  3679
3684  3682  O     17.447016   -7.200844    4.098545     1  3683  3684
3685  3683  H     18.331809   -7.651577    3.929139     2  3682
3686  3684  H     16.831049   -8.003694    4.049363     2  3682
3687  3685  O     15.359067  -14.082791    6.956598     1  3686  3687
3688  3686  H     16.173130  -13.898660    6.366407     2  3685
3689  3687  H     15.903423  -13.706309    7.721660     2  3685
3690  3688  O     11.142570  -11.609305    8.076866     1  3689  3690
3691  3689  H     10.944123  -10.732032    7.623294     2  3688
3692  3690  H     11.826489  -11.987248    7.432029     2  3688
3693  3691  O     13.063669  -12.622942    6.262577     1  3692  3693
3694  3692  H     13.906962  -13.148269    6.503025     2  3691
3695  3693  H     12.963441  -13.257499    5.481121     2  3691
3696  3694  O     12.091455   -8.453588    3.650438     1  3695  3696
3697  3695  H     12.853186   -7.912937    3.273371     2  3694
3698  3696  H     12.588267   -8.985214    4.355387     2  3694
3699  3697  O     17.602438  -13.619370    5.333573     1  3698  3699
3700  3698  H     17.752457  -12.638581    5.087661     2  3697
3701  3699  H     17.469713  -13.784947    4.344458     2  3697
3702  3700  O     13.672984  -16.352384    6.830909     1  3701  3702
3703  3701  H     12.788191  -15.901651    7.000315     2  3700
3704  3702  H     14.288951  -15.549534    6.880091     2  3700
3705  3703  O     15.760933   -9.470437    3.972856     1  3704  3705
3706  3704  H     14.946870   -9.654568    4.563047     2  3703
3707  3705  H     15.216577   -9.846919    3.207794     2  3703
3708  3706  O     19.977430  -11.943923    2.852588     1  3707  3708
3709  3707  H     20.175877  -12.821196    3.306160     2  3706
3710  3708  H     19.293511  -11.565980    3.497425     2  3706
3711  3709  O     15.003948  -15.550689   10.131603     1  3710  3711
3712  3710  H     14.160655  -15.025362    9.891155     2  3709
3713  3711  H     15.104176  -14.916132   10.913059     2  3709
3714  3712  O     15.976162  -19.720043   12.743742     1  3713  3714
3715  3713  H     15.214431  -20.260694   13.120809     2  3712
3716  3714  H     15.479350  -19.188417   12.038793     2  3712
3717  3715  O     10.465179  -14.554261   11.060607     1  3716  3717
3718  3716  H     10.315160  -15.535050   11.306519     2  3715
3719  3717  H     10.597904  -14.388684   12.049722     2  3715
3720  3718  O     14.394633  -11.821247    9.563271     1  3719  3720
3721  3719  H     15.279426  -12.271980    9.393865     2  3718
3722  3720  H     13.778666  -12.624097    9.514089     2  3718
3723  3721  O     12.306684  -18.703194   12.421324     1  3722  3723
3724  3722  H     13.120747  -18.519063   11.831133     2  3721
3725  3723  H     12.851040  -18.326712   13.186386     2  3721
3726  3724  O      8.090187  -16.229708   13.541592     1  3725  3726
3727  3725  H      7.891740  -15.352435   13.088020     2  3724
3728  3726  H      8.774106  -16.607651   12.896755     2  3724
3729  3727  O     10.011286  -17.243345   11.727303     1  3728  3729
3730  3728  H     10.854579  -17.768672   11.967751     2  3727
3731  3729  H      9.911058  -17.877902   10.945847     2  3727
3732  3730  O      9.039072  -13.073991    9.115164     1  3731  3732
3733  3731  H      9.800803  -12.533340    8.738097     2  3730
3734  3732  H      9.535884  -13.605617    9.820113     2  3730
3735  3733  O     14.550055  -18.239773   10.798299     1  3734  3735
3736  3734  H     14.700074  -17.258984   10.552387     2  3733
3737  3735  H     14.417330  -18.405350    9.809184     2  3733
3738  3736  O     10.620601  -20.972787   12.295635     1  3737  3738
3739  3737  H      9.735808  -20.522054   12.465041     2  3736
3740  3738  H     11.236568  -20.169937   12.344817     2  3736
3741  3739  O     12.708550  -14.090840    9.437582     1  3740  3741
3742  3740  H     11.894487  -14.274971   10.027773     2  3739
3743  3741  H     12.164194  -14.467322    8.672520     2  3739
3744  3742  O     16.925047  -16.564326    8.317314     1  3743  3744
3745  3743  H     17.123494  -17.441599    8.770886     2  3742
3746  3744  H     16.241128  -16.186383    8.962151     2  3742
3747  3745  O     21.108714    5.466731   -6.262577     1  3746  3747
3748  3746  H     20.265421    5.992058   -6.503025     2  3745
3749  3747  H     21.208942    6.101288   -5.481121     2  3745
3750  3748  O     22.080928    1.297377   -3.650438     1  3749  3750
3751  3749  H     21.319197    0.756726   -3.273371     2  3748
3752  3750  H     21.584116    1.829003   -4.355387     2  3748
3753  3751  O     16.569945    6.463159   -5.333573     1  3752  3753
3754  3752  H     16.419926    5.482370   -5.087661     2  3751
3755  3753  H     16.702670    6.628736   -4.344458     2  3751
3756  3754  O     20.499399    9.196173   -6.830909     1  3755  3756
3757  3755  H     21.384192    8.745440   -7.000315     2  3754
3758  3756  H     19.883432    8.393323   -6.880091     2  3754
3759  3757  O     18.411450    2.314226   -3.972856     1  3758  3759
3760  3758  H     19.225513    2.498357   -4.563047     2  3757
3761  3759  H     18.955806    2.690708   -3.207794     2  3757
3762  3760  O     14.194953    4.787712   -2.852588     1  3761  3762
3763  3761  H     13.996506    5.664985   -3.306160     2  3760
3764  3762  H     14.878872    4.409769   -3.497425     2  3760
3765  3763  O     16.116052    3.774075   -4.666877     1  3764  3765
3766  3764  H     16.959345    3.248748   -4.426429     2  3763
3767  3765  H     16.015824    3.139518   -5.448333     2  3763
3768  3766  O     15.143838    7.943429   -7.279016     1  3767  3768
3769  3767  H     15.905569    8.484080   -7.656083     2  3766
3770  3768  H     15.640650    7.411803   -6.574067     2  3766
3771  3769  O     20.654821    2.777647   -5.595881     1  3770  3771
3772  3770  H     20.804840    3.758436   -5.841793     2  3769
3773  3771  H     20.522096    2.612070   -6.584996     2  3769
3774  3772  O     16.725367    0.044633   -4.098545     1  3773  3774
3775  3773  H     15.840574    0.495366   -3.929139     2  3772
3776  3774  H     17.341334    0.847483   -4.049363     2  3772
3777  3775  O     18.813316    6.926580   -6.956598     1  3776  3777
3778  3776  H     17.999253    6.742449   -6.366407     2  3775
3779  3777  H     18.268960    6.550098   -7.721660     2  3775
3780  3778  O     23.029813    4.453094   -8.076866     1  3779  3780
3781  3779  H     23.228260    3.575821   -7.623294     2  3778
3782  3780  H     22.345894    4.831037   -7.432029     2  3778
3783  3781  O     18.056331    0.846328   -0.797850     1  3782  3783
3784  3782  H     17.213038    1.371655   -1.038298     2  3781
3785  3783  H     18.156559    1.480885   -0.016394     2  3781
3786  3784  O     19.028545   -3.323026    1.814289     1  3785  3786
3787  3785  H     18.266814   -3.863677    2.191356     2  3784
3788  3786  H     18.531733   -2.791400    1.109340     2  3784
3789  3787  O     13.517562    1.842756    0.131154     1  3788  3789
3790  3788  H     13.367543    0.861967    0.377066     2  3787
3791  3789  H     13.650287    2.008333    1.120269     2  3787
3792  3790  O     17.447016    4.575770   -1.366182     1  3791  3792
3793  3791  H     18.331809    4.125037   -1.535588     2  3790
3794  3792  H     16.831049    3.772920   -1.415364     2  3790
3795  3793  O     15.359067   -2.306177    1.491871     1  3794  3795
3796  3794  H     16.173130   -2.122046    0.901680     2  3793
3797  3795  H     15.903423   -1.929695    2.256933     2  3793
3798  3796  O     11.142570    0.167309    2.612139     1  3797  3798
3799  3797  H     10.944123    1.044582    2.158567     2  3796
3800  3798  H     11.826489   -0.210634    1.967302     2  3796
3801  3799  O     13.063669   -0.846328    0.797850     1  3800  3801
3802  3800  H     13.906962   -1.371655    1.038298     2  3799
3803  3801  H     12.963441   -1.480885    0.016394     2  3799
3804  3802  O     12.091455    3.323026   -1.814289     1  3803  3804
3805  3803  H     12.853186    3.863677   -2.191356     2  3802
3806  3804  H     12.588267    2.791400   -1.109340     2  3802
3807  3805  O     17.602438   -1.842756   -0.131154     1  3806  3807
3808  3806  H     17.752457   -0.861967   -0.377066     2  3805
3809  3807  H     17.469713   -2.008333   -1.120269     2  3805
3810  3808  O     13.672984   -4.575770    1.366182     1  3809  3810
3811  3809  H     12.788191   -4.125037    1.535588     2  3808
3812  3810  H     14.288951   -3.772920    1.415364     2  3808
3813  3811  O     15.760933    2.306177   -1.491871     1  3812  3813
3814  3812  H     14.946870    2.122046   -0.901680     2  3811
3815  3813  H     15.216577    1.929695   -2.256933     2  3811
3816  3814  O     19.977430   -0.167309   -2.612139     1  3815  3816
3817  3815  H     20.175877   -1.044582   -2.158567     2  3814
3818  3816  H     19.293511    0.210634   -1.967302     2  3814
3819  3817  O     15.003948   -3.774075    4.666877     1  3818  3819
3820  3818  H     14.160655   -3.248748    4.426429     2  3817
3821  3819  H     15.104176   -3.139518    5.448333     2  3817
3822  3820  O     15.976162   -7.943429    7.279016     1  3821  3822
3823  3821  H     15.214431   -8.484080    7.656083     2  3820
3824  3822  H     15.479350   -7.411803    6.574067     2  3820
3825  3823  O     10.465179   -2.777647    5.595881     1  3824  3825
3826  3824  H     10.315160   -3.758436    5.841793     2  3823
3827  3825  H     10.597904   -2.612070    6.584996     2  3823
3828  3826  O     14.394633   -0.044633    4.098545     1  3827  3828
3829  3827  H     15.279426   -0.495366    3.929139     2  3826
3830  3828  H     13.778666   -0.847483    4.049363     2  3826
3831  3829  O     12.306684   -6.926580    6.956598     1  3830  3831
3832  3830  H     13.120747   -6.742449    6.366407     2  3829
3833  3831  H     12.851040   -6.550098    7.721660     2  3829
3834  3832  O      8.090187   -4.453094    8.076866     1  3833  3834
3835  3833  H      7.891740   -3.575821    7.623294     2  3832
3836  3834  H      8.774106   -4.831037    7.432029     2  3832
3837  3835  O     10.011286   -5.466731    6.262577     1  3836  3837
3838  3836  H     10.854579   -5.992058    6.503025     2  3835
3839  3837  H      9.911058   -6.101288    5.481121     2  3835
3840  3838  O      9.039072   -1.297377    3.650438     1  3839  3840
3841  3839  H      9.800803   -0.756726    3.273371     2  3838
3842  3840  H      9.535884   -1.829003    4.355387     2  3838
3843  3841  O     14.550055   -6.463159    5.333573     1  3842  3843
3844  3842  H     14.700074   -5.482370    5.087661     2  3841
3845  3843  H     14.417330   -6.628736    4.344458     2  3841
3846  3844  O     10.620601   -9.196173    6.830909     1  3845  3846
3847  3845  H      9.735808   -8.745440    7.000315     2  3844
3848  3846  H     11.236568   -8.393323    6.880091     2  3844
3849  3847  O     12.708550   -2.314226    3.972856     1  3848  3849
3850  3848  H     11.894487   -2.498357    4.563047     2  3847
3851  3849  H     12.164194   -2.690708    3.207794     2  3847
3852  3850  O     16.925047   -4.787712    2.852588     1  3851  3852
3853  3851  H     17.123494   -5.664985    3.306160     2  3850
3854  3852  H     16.241128   -4.409769    3.497425     2  3850
3855  3853  O     11.951565   -8.394478   10.131603     1  3854  3855
3856  3854  H     11.108272   -7.869151    9.891155     2  3853
3857  3855  H     12.051793   -7.759921   10.913059     2  3853
3858  3856  O     12.923779  -12.563832   12.743742     1  3857  3858
3859  3857  H     12.162048  -13.104483   13.120809     2  3856
3860  3858  H     12.426967  -12.032206   12.038793     2  3856
3861  3859  O      7.412796   -7.398050   11.060607     1  3860  3861
3862  3860  H      7.262777   -8.378839   11.306519     2  3859
3863  3861  H      7.545521   -7.232473   12.049722     2  3859
3864  3862  O     11.342250   -4.665036    9.563271     1  3863  3864
3865  3863  H     12.227043   -5.115769    9.393865     2  3862
3866  3864  H     10.726283   -5.467886    9.514089     2  3862
3867  3865  O      9.254301  -11.546983   12.421324     1  3866  3867
3868  3866  H     10.068364  -11.362852   11.831133     2  3865
3869  3867  H      9.798657  -11.170501   13.186386     2  3865
3870  3868  O      5.037804   -9.073497   13.541592     1  3869  3870
3871  3869  H      4.839357   -8.196224   13.088020     2  3868
3872  3870  H      5.721723   -9.451440   12.896755     2  3868
3873  3871  O      6.958903  -10.087134   11.727303     1  3872  3873
3874  3872  H      7.802196  -10.612461   11.967751     2  3871
3875  3873  H      6.858675  -10.721691   10.945847     2  3871
3876  3874  O      5.986689   -5.917780    9.115164     1  3875  3876
3877  3875  H      6.748420   -5.377129    8.738097     2  3874
3878  3876  H      6.483501   -6.449406    9.820113     2  3874
3879  3877  O     11.497672  -11.083562   10.798299     1  3878  3879
3880  3878  H     11.647691  -10.102773   10.552387     2  3877
3881  3879  H     11.364947  -11.249139    9.809184     2  3877
3882  3880  O      7.568218  -13.816576   12.295635     1  3881  3882
3883  3881  H      6.683425  -13.365843   12.465041     2  3880
3884  3882  H      8.184185  -13.013726   12.344817     2  3880
3885  3883  O      9.656167   -6.934629    9.437582     1  3884  3885
3886  3884  H      8.842104   -7.118760   10.027773     2  3883
3887  3885  H      9.111811   -7.311111    8.672520     2  3883
3888  3886  O     13.872664   -9.408115    8.317314     1  3887  3888
3889  3887  H     14.071111  -10.285388    8.770886     2  3886
3890  3888  H     13.188745   -9.030172    8.962151     2  3886
3891  3889  O     18.056331   12.622942   -6.262577     1  3890  3891
3892  3890  H     17.213038   13.148269   -6.503025     2  3889
3893  3891  H     18.156559   13.257499   -5.481121     2  3889
3894  3892  O     19.028545    8.453588   -3.650438     1  3893  3894
3895  3893  H     18.266814    7.912937   -3.273371     2  3892
3896  3894  H     18.531733    8.985214   -4.355387     2  3892
3897  3895  O     13.517562   13.619370   -5.333573     1  3896  3897
3898  3896  H     13.367543   12.638581   -5.087661     2  3895
3899  3897  H     13.650287   13.784947   -4.344458     2  3895
3900  3898  O     17.447016   16.352384   -6.830909     1  3899  3900
3901  3899  H     18.331809   15.901651   -7.000315     2  3898
3902  3900  H     16.831049   15.549534   -6.880091     2  3898
3903  3901  O     15.359067    9.470437   -3.972856     1  3902  3903
3904  3902  H     16.173130    9.654568   -4.563047     2  3901
3905  3903  H     15.903423    9.846919   -3.207794     2  3901
3906  3904  O     11.142570   11.943923   -2.852588     1  3905  3906
3907  3905  H     10.944123   12.821196   -3.306160     2  3904
3908  3906  H     11.826489   11.565980   -3.497425     2  3904
3909  3907  O     13.063669   10.930286   -4.666877     1  3908  3909
3910  3908  H     13.906962   10.404959   -4.426429     2  3907
3911  3909  H     12.963441   10.295729   -5.448333     2  3907
3912  3910  O     12.091455   15.099640   -7.279016     1  3911  3912
3913  3911  H     12.853186   15.640291   -7.656083     2  3910
3914  3912  H     12.588267   14.568014   -6.574067     2  3910
3915  3913  O     17.602438    9.933858   -5.595881     1  3914  3915
3916  3914  H     17.752457   10.914647   -5.841793     2  3913
3917  3915  H     17.469713    9.768281   -6.584996     2  3913
3918  3916  O     13.672984    7.200844   -4.098545     1  3917  3918
3919  3917  H     12.788191    7.651577   -3.929139     2  3916
3920  3918  H     14.288951    8.003694   -4.049363     2  3916
3921  3919  O     15.760933   14.082791   -6.956598     1  3920  3921
3922  3920  H     14.946870   13.898660   -6.366407     2  3919
3923  3921  H     15.216577   13.706309   -7.721660     2  3919
3924  3922  O     19.977430   11.609305   -8.076866     1  3923  3924
3925  3923  H     20.175877   10.732032   -7.623294     2  3922
3926  3924  H     19.293511   11.987248   -7.432029     2  3922
3927  3925  O     15.003948    8.002539   -0.797850     1  3926  3927
3928  3926  H     14.160655    8.527866   -1.038298     2  3925
3929  3927  H     15.104176    8.637096   -0.016394     2  3925
3930  3928  O     15.976162    3.833185    1.814289     1  3929  3930
3931  3929  H     15.214431    3.292534    2.191356     2  3928
3932  3930  H     15.479350    4.364811    1.109340     2  3928
3933  3931  O     10.465179    8.998967    0.131154     1  3932  3933
3934  3932  H     10.315160    8.018178    0.377066     2  3931
3935  3933  H     10.597904    9.164544    1.120269     2  3931
3936  3934  O     14.394633   11.731981   -1.366182     1  3935  3936
3937  3935  H     15.279426   11.281248   -1.535588     2  3934
3938  3936  H     13.778666   10.929131   -1.415364     2  3934
3939  3937  O     12.306684    4.850034    1.491871     1  3938  3939
3940  3938  H     13.120747    5.034165    0.901680     2  3937
3941  3939  H     12.851040    5.226516    2.256933     2  3937
3942  3940  O      8.090187    7.323520    2.612139     1  3941  3942
3943  3941  H      7.891740    8.200793    2.158567     2  3940
3944  3942  H      8.774106    6.945577    1.967302     2  3940
3945  3943  O     10.011286    6.309883    0.797850     1  3944  3945
3946  3944  H     10.854579    5.784556    1.038298     2  3943
3947  3945  H      9.911058    5.675326    0.016394     2  3943
3948  3946  O      9.039072   10.479237   -1.814289     1  3947  3948
3949  3947  H      9.800803   11.019888   -2.191356     2  3946
3950  3948  H      9.535884    9.947611   -1.109340     2  3946
3951  3949  O     14.550055    5.313455   -0.131154     1  3950  3951
3952  3950  H     14.700074    6.294244   -0.377066     2  3949
3953  3951  H     14.417330    5.147878   -1.120269     2  3949
3954  3952  O     10.620601    2.580441    1.366182     1  3953  3954
3955  3953  H      9.735808    3.031174    1.535588     2  3952
3956  3954  H     11.236568    3.383291    1.415364     2  3952
3957  3955  O     12.708550    9.462388   -1.491871     1  3956  3957
3958  3956  H     11.894487    9.278257   -0.901680     2  3955
3959  3957  H     12.164194    9.085906   -2.256933     2  3955
3960  3958  O     16.925047    6.988902   -2.612139     1  3959  3960
3961  3959  H     17.123494    6.111629   -2.158567     2  3958
3962  3960  H     16.241128    7.366845   -1.967302     2  3958
3963  3961  O     11.951565    3.382136    4.666877     1  3962  3963
3964  3962  H     11.108272    3.907463    4.426429     2  3961
3965  3963  H     12.051793    4.016693    5.448333     2  3961
3966  3964  O     12.923779   -0.787218    7.279016     1  3965  3966
3967  3965  H     12.162048   -1.327869    7.656083     2  3964
3968  3966  H     12.426967   -0.255592    6.574067     2  3964
3969  3967  O      7.412796    4.378564    5.595881     1  3968  3969
3970  3968  H      7.262777    3.397775    5.841793     2  3967
3971  3969  H      7.545521    4.544141    6.584996     2  3967
3972  3970  O     11.342250    7.111578    4.098545     1  3971  3972
3973  3971  H     12.227043    6.660845    3.929139     2  3970
3974  3972  H     10.726283    6.308728    4.049363     2  3970
3975  3973  O      9.254301    0.229631    6.956598     1  3974  3975
3976  3974  H     10.068364    0.413762    6.366407     2  3973
3977  3975  H      9.798657    0.606113    7.721660     2  3973
3978  3976  O      5.037804    2.703117    8.076866     1  3977  3978
3979  3977  H      4.839357    3.580390    7.623294     2  3976
3980  3978  H      5.721723    2.325174    7.432029     2  3976
3981  3979  O      6.958903    1.689480    6.262577     1  3980  3981
3982  3980  H      7.802196    1.164153    6.503025     2  3979
3983  3981  H      6.858675    1.054923    5.481121     2  3979
3984  3982  O      5.986689    5.858834    3.650438     1  3983  3984
3985  3983  H      6.748420    6.399485    3.273371     2  3982
3986  3984  H      6.483501    5.327208    4.355387     2  3982
3987  3985  O     11.497672    0.693052    5.333573     1  3986  3987
3988  3986  H     11.647691    1.673841    5.087661     2  3985
3989  3987  H     11.364947    0.527475    4.344458     2  3985
3990  3988  O      7.568218   -2.039962    6.830909     1  3989  3990
3991  3989  H      6.683425   -1.589229    7.000315     2  3988
3992  3990  H      8.184185   -1.237112    6.880091     2  3988
3993  3991  O      9.656167    4.841985    3.972856     1  3992  3993
3994  3992  H      8.842104    4.657854    4.563047     2  3991
3995  3993  H      9.111811    4.465503    3.207794     2  3991
3996  3994  O     13.872664    2.368499    2.852588     1  3995  3996
3997  3995  H     14.071111    1.491226    3.306160     2  3994
3998  3996  H     13.188745    2.746442    3.497425     2  3994
3999  3997  O      8.899183   -1.238266   10.131603     1  3998  3999
4000  3998  H      8.055890   -0.712939    9.891155     2  3997
4001  3999  H      8.999411   -0.603709   10.913059     2  3997
4002  4000  O      9.871397   -5.407620   12.743742     1  4001  4002
4003  4001  H      9.109666   -5.948271   13.120809     2  4000
4004  4002  H      9.374585   -4.875994   12.038793     2  4000
4005  4003  O      4.360414   -0.241838   11.060607     1  4004  4005
4006  4004  H      4.210395   -1.222627   11.306519     2  4003
4007  4005  H      4.493139   -0.076261   12.049722     2  4003
4008  4006  O      8.289868    2.491176    9.563271     1  4007  4008
4009  4007  H      9.174661    2.040443    9.393865     2  4006
4010  4008  H      7.673901    1.688326    9.514089     2  4006
4011  4009  O      6.201919   -4.390771   12.421324     1  4010  4011
4012  4010  H      7.015982   -4.206640   11.831133     2  4009
4013  4011  H      6.746275   -4.014289   13.186386     2  4009
4014  4012  O      1.985422   -1.917285   13.541592     1  4013  4014
4015  4013  H      1.786975   -1.040012   13.088020     2  4012
4016  4014  H      2.669341   -2.295228   12.896755     2  4012
4017  4015  O      3.906521   -2.930922   11.727303     1  4016  4017
4018  4016  H      4.749814   -3.456249   11.967751     2  4015
4019  4017  H      3.806293   -3.565479   10.945847     2  4015
4020  4018  O      2.934307    1.238432    9.115164     1  4019  4020
4021  4019  H      3.696038    1.779083    8.738097     2  4018
4022  4020  H      3.431119    0.706806    9.820113     2  4018
4023  4021  O      8.445290   -3.927350   10.798299     1  4022  4023
4024  4022  H      8.595309   -2.946561   10.552387     2  4021
4025  4023  H      8.312565   -4.092927    9.809184     2  4021
4026  4024  O      4.515836   -6.660364   12.295635     1  4025  4026
4027  4025  H      3.631043   -6.209631   12.465041     2  4024
4028  4026  H      5.131803   -5.857514   12.344817     2  4024
4029  4027  O      6.603785    0.221583    9.437582     1  4028  4029
4030  4028  H      5.789722    0.037452   10.027773     2  4027
4031  4029  H      6.059429   -0.154899    8.672520     2  4027
4032  4030  O     10.820282   -2.251903    8.317314     1  4031  4032
4033  4031  H     11.018729   -3.129176    8.770886     2  4030
4034  4032  H     10.136363   -1.873960    8.962151     2  4030
4035  4033  O     15.003948   19.779153   -6.262577     1  4034  4035
4036  4034  H     14.160655   20.304480   -6.503025     2  4033
4037  4035  H     15.104176   20.413710   -5.481121     2  4033
4038  4036  O     15.976162   15.609799   -3.650438     1  4037  4038
4039  4037  H     15.214431   15.069148   -3.273371     2  4036
4040  4038  H     15.479350   16.141425   -4.355387     2  4036
4041  4039  O     10.465179   20.775581   -5.333573     1  4040  4041
4042  4040  H     10.315160   19.794792   -5.087661     2  4039
4043  4041  H     10.597904   20.941158   -4.344458     2  4039
4044  4042  O     14.394633   23.508595   -6.830909     1  4043  4044
4045  4043  H     15.279426   23.057862   -7.000315     2  4042
4046  4044  H     13.778666   22.705745   -6.880091     2  4042
4047  4045  O     12.306684   16.626648   -3.972856     1  4046  4047
4048  4046  H     13.120747   16.810779   -4.563047     2  4045
4049  4047  H     12.851040   17.003130   -3.207794     2  4045
4050  4048  O      8.090187   19.100134   -2.852588     1  4049  4050
4051  4049  H      7.891740   19.977407   -3.306160     2  4048
4052  4050  H      8.774106   18.722191   -3.497425     2  4048
4053  4051  O     10.011286   18.086497   -4.666877     1  4052  4053
4054  4052  H     10.854579   17.561170   -4.426429     2  4051
4055  4053  H      9.911058   17.451940   -5.448333     2  4051
4056  4054  O      9.039072   22.255851   -7.279016     1  4055  4056
4057  4055  H      9.800803   22.796502   -7.656083     2  4054
4058  4056  H      9.535884   21.724225   -6.574067     2  4054
4059  4057  O     14.550055   17.090069   -5.595881     1  4058  4059
4060  4058  H     14.700074   18.070858   -5.841793     2  4057
4061  4059  H     14.417330   16.924492   -6.584996     2  4057
4062  4060  O     10.620601   14.357055   -4.098545     1  4061  4062
4063  4061  H      9.735808   14.807788   -3.929139     2  4060
4064  4062  H     11.236568   15.159905   -4.049363     2  4060
4065  4063  O     12.708550   21.239002   -6.956598     1  4064  4065
4066  4064  H     11.894487   21.054871   -6.366407     2  4063
4067  4065  H     12.164194   20.862520   -7.721660     2  4063
4068  4066  O     16.925047   18.765516   -8.076866     1  4067  4068
4069  4067  H     17.123494   17.888243   -7.623294     2  4066
4070  4068  H     16.241128   19.143459   -7.432029     2  4066
4071  4069  O     11.951565   15.158750   -0.797850     1  4070  4071
4072  4070  H     11.108272   15.684077   -1.038298     2  4069
4073  4071  H     12.051793   15.793307   -0.016394     2  4069
4074  4072  O     12.923779   10.989396    1.814289     1  4073  4074
4075  4073  H     12.162048   10.448745    2.191356     2  4072
4076  4074  H     12.426967   11.521022    1.109340     2  4072
4077  4075  O      7.412796   16.155178    0.131154     1  4076  4077
4078  4076  H      7.262777   15.174389    0.377066     2  4075
4079  4077  H      7.545521   16.320755    1.120269     2  4075
4080  4078  O     11.342250   18.888192   -1.366182     1  4079  4080
4081  4079  H     12.227043   18.437459   -1.535588     2  4078
4082  4080  H     10.726283   18.085342   -1.415364     2  4078
4083  4081  O      9.254301   12.006245    1.491871     1  4082  4083
4084  4082  H     10.068364   12.190376    0.901680     2  4081
4085  4083  H      9.798657   12.382727    2.256933     2  4081
4086  4084  O      5.037804   14.479731    2.612139     1  4085  4086
4087  4085  H      4.839357   15.357004    2.158567     2  4084
4088  4086  H      5.721723   14.101788    1.967302     2  4084
4089  4087  O      6.958903   13.466094    0.797850     1  4088  4089
4090  4088  H      7.802196   12.940767    1.038298     2  4087
4091  4089  H      6.858675   12.831537    0.016394     2  4087
4092  4090  O      5.986689   17.635448   -1.814289     1  4091  4092
4093  4091  H      6.748420   18.176099   -2.191356     2  4090
4094  4092  H      6.483501   17.103822   -1.109340     2  4090
4095  4093  O     11.497672   12.469666   -0.131154     1  4094  4095
4096  4094  H     11.647691   13.450455   -0.377066     2  4093
4097  4095  H     11.364947   12.304089   -1.120269     2  4093
4098  4096  O      7.568218    9.736652    1.366182     1  4097  4098
4099  4097  H      6.683425   10.187385    1.535588     2  4096
4100  4098  H      8.184185   10.539502    1.415364     2  4096
4101  4099  O      9.656167   16.618599   -1.491871     1  4100  4101
4102  4100  H      8.842104   16.434468   -0.901680     2  4099
4103  4101  H      9.111811   16.242117   -2.256933     2  4099
4104  4102  O     13.872664   14.145113   -2.612139     1  4103  4104
4105  4103  H     14.071111   13.267840   -2.158567     2  4102
4106  4104  H     13.188745   14.523056   -1.967302     2  4102
4107  4105  O      8.899183   10.538348    4.666877     1  4106  4107
4108  4106  H      8.055890   11.063675    4.426429     2  4105
4109  4107  H      8.999411   11.172905    5.448333     2  4105
4110  4108  O      9.871397    6.368994    7.279016     1  4109  4110
4111  4109  H      9.109666    5.828343    7.656083     2  4108
4112  4110  H      9.374585    6.900620    6.574067     2  4108
4113  4111  O      4.360414   11.534776    5.595881     1  4112  4113
4114  4112  H      4.210395   10.553987    5.841793     2  4111
4115  4113  H      4.493139   11.700353    6.584996     2  4111
4116  4114  O      8.289868   14.267790    4.098545     1  4115  4116
4117  4115  H      9.174661   13.817057    3.929139     2  4114
4118  4116  H      7.673901   13.464940    4.049363     2  4114
4119  4117  O      6.201919    7.385843    6.956598     1  4118  4119
4120  4118  H      7.015982    7.569974    6.366407     2  4117
4121  4119  H      6.746275    7.762325    7.721660     2  4117
4122  4120  O      1.985422    9.859329    8.076866     1  4121  4122
4123  4121  H      1.786975   10.736602    7.623294     2  4120
4124  4122  H      2.669341    9.481386    7.432029     2  4120
4125  4123  O      3.906521    8.845692    6.262577     1  4124  4125
4126  4124  H      4.749814    8.320365    6.503025     2  4123
4127  4125  H      3.806293    8.211135    5.481121     2  4123
4128  4126  O      2.934307   13.015046    3.650438     1  4127  4128
4129  4127  H      3.696038   13.555697    3.273371     2  4126
4130  4128  H      3.431119   12.483420    4.355387     2  4126
4131  4129  O      8.445290    7.849264    5.333573     1  4130  4131
4132  4130  H      8.595309    8.830053    5.087661     2  4129
4133  4131  H      8.312565    7.683687    4.344458     2  4129
4134  4132  O      4.515836    5.116250    6.830909     1  4133  4134
4135  4133  H      3.631043    5.566983    7.000315     2  4132
4136  4134  H      5.131803    5.919100    6.880091     2  4132
4137  4135  O      6.603785   11.998197    3.972856     1  4136  4137
4138  4136  H      5.789722   11.814066    4.563047     2  4135
4139  4137  H      6.059429   11.621715    3.207794     2  4135
4140  4138  O     10.820282    9.524711    2.852588     1  4139  4140
4141  4139  H     11.018729    8.647438    3.306160     2  4138
4142  4140  H     10.136363    9.902654    3.497425     2  4138
4143  4141  O      5.846800    5.917945   10.131603     1  4142  4143
4144  4142  H      5.003507    6.443272    9.891155     2  4141
4145  4143  H      5.947028    6.552502   10.913059     2  4141
4146  4144  O      6.819014    1.748591   12.743742     1  4145  4146
4147  4145  H      6.057283    1.207940   13.120809     2  4144
4148  4146  H      6.322202    2.280217   12.038793     2  4144
4149  4147  O      1.308031    6.914373   11.060607     1  4148  4149
4150  4148  H      1.158012    5.933584   11.306519     2  4147
4151  4149  H      1.440756    7.079950   12.049722     2  4147
4152  4150  O      5.237485    9.647387    9.563271     1  4151  4152
4153  4151  H      6.122278    9.196654    9.393865     2  4150
4154  4152  H      4.621518    8.844537    9.514089     2  4150
4155  4153  O      3.149536    2.765440   12.421324     1  4154  4155
4156  4154  H      3.963599    2.949571   11.831133     2  4153
4157  4155  H      3.693892    3.141922   13.186386     2  4153
4158  4156  O     -1.066961    5.238926   13.541592     1  4157  4158
4159  4157  H     -1.265408    6.116199   13.088020     2  4156
4160  4158  H     -0.383042    4.860983   12.896755     2  4156
4161  4159  O      0.854138    4.225289   11.727303     1  4160  4161
4162  4160  H      1.697431    3.699962   11.967751     2  4159
4163  4161  H      0.753910    3.590732   10.945847     2  4159
4164  4162  O     -0.118076    8.394643    9.115164     1  4163  4164
4165  4163  H      0.643655    8.935294    8.738097     2  4162
4166  4164  H      0.378736    7.863017    9.820113     2  4162
4167  4165  O      5.392907    3.228861   10.798299     1  4166  4167
4168  4166  H      5.542926    4.209650   10.552387     2  4165
4169  4167  H      5.260182    3.063284    9.809184     2  4165
4170  4168  O      1.463453    0.495847   12.295635     1  4169  4170
4171  4169  H      0.578660    0.946580   12.465041     2  4168
4172  4170  H      2.079420    1.298697   12.344817     2  4168
4173  4171  O      3.551402    7.377794    9.437582     1  4172  4173
4174  4172  H      2.737339    7.193663   10.027773     2  4171
4175  4173  H      3.007046    7.001312    8.672520     2  4171
4176  4174  O      7.767899    4.904308    8.317314     1  4175  4176
4177  4175  H      7.966346    4.027035    8.770886     2  4174
4178  4176  H      7.083980    5.282251    8.962151     2  4174
4179  4177  O     11.951565   26.935365   -6.262577     1  4178  4179
4180  4178  H     11.108272   27.460692   -6.503025     2  4177
4181  4179  H     12.051793   27.569922   -5.481121     2  4177
4182  4180  O     12.923779   22.766011   -3.650438     1  4181  4182
4183  4181  H     12.162048   22.225360   -3.273371     2  4180
4184  4182  H     12.426967   23.297637   -4.355387     2  4180
4185  4183  O      7.412796   27.931793   -5.333573     1  4184  4185
4186  4184  H      7.262777   26.951004   -5.087661     2  4183
4187  4185  H      7.545521   28.097370   -4.344458     2  4183
4188  4186  O     11.342250   30.664807   -6.830909     1  4187  4188
4189  4187  H     12.227043   30.214074   -7.000315     2  4186
4190  4188  H     10.726283   29.861957   -6.880091     2  4186
4191  4189  O      9.254301   23.782860   -3.972856     1  4190  4191
4192  4190  H     10.068364   23.966991   -4.563047     2  4189
4193  4191  H      9.798657   24.159342   -3.207794     2  4189
4194  4192  O      5.037804   26.256346   -2.852588     1  4193  4194
4195  4193  H      4.839357   27.133619   -3.306160     2  4192
4196  4194  H      5.721723   25.878403   -3.497425     2  4192
4197  4195  O      6.958903   25.242709   -4.666877     1  4196  4197
4198  4196  H      7.802196   24.717382   -4.426429     2  4195
4199  4197  H      6.858675   24.608152   -5.448333     2  4195
4200  4198  O      5.986689   29.412063   -7.279016     1  4199  4200
4201  4199  H      6.748420   29.952714   -7.656083     2  4198
4202  4200  H      6.483501   28.880437   -6.574067     2  4198
4203  4201  O     11.497672   24.246281   -5.595881     1  4202  4203
4204  4202  H     11.647691   25.227070   -5.841793     2  4201
4205  4203  H     11.364947   24.080704   -6.584996     2  4201
4206  4204  O      7.568218   21.513267   -4.098545     1  4205  4206
4207  4205  H      6.683425   21.964000   -3.929139     2  4204
4208  4206  H      8.184185   22.316117   -4.049363     2  4204
4209  4207  O      9.656167   28.395214   -6.956598     1  4208  4209
4210  4208  H      8.842104   28.211083   -6.366407     2  4207
4211  4209  H      9.111811   28.018732   -7.721660     2  4207
4212  4210  O     13.872664   25.921728   -8.076866     1  4211  4212
4213  4211  H     14.071111   25.044455   -7.623294     2  4210
4214  4212  H     13.188745   26.299671   -7.432029     2  4210
4215  4213  O      8.899183   22.314962   -0.797850     1  4214  4215
4216  4214  H      8.055890   22.840289   -1.038298     2  4213
4217  4215  H      8.999411   22.949519   -0.016394     2  4213
4218  4216  O      9.871397   18.145608    1.814289     1  4217  4218
4219  4217  H      9.109666   17.604957    2.191356     2  4216
4220  4218  H      9.374585   18.677234    1.109340     2  4216
4221  4219  O      4.360414   23.311390    0.131154     1  4220  4221
4222  4220  H      4.210395   22.330601    0.377066     2  4219
4223  4221  H      4.493139   23.476967    1.120269     2  4219
4224  4222  O      8.289868   26.044404   -1.366182     1  4223  4224
4225  4223  H      9.174661   25.593671   -1.535588     2  4222
4226  4224  H      7.673901   25.241554   -1.415364     2  4222
4227  4225  O      6.201919   19.162457    1.491871     1  4226  4227
4228  4226  H      7.015982   19.346588    0.901680     2  4225
4229  4227  H      6.746275   19.538939    2.256933     2  4225
4230  4228  O      1.985422   21.635943    2.612139     1  4229  4230
4231  4229  H      1.786975   22.513216    2.158567     2  4228
4232  4230  H      2.669341   21.258000    1.967302     2  4228
4233  4231  O      3.906521   20.622306    0.797850     1  4232  4233
4234  4232  H      4.749814   20.096979    1.038298     2  4231
4235  4233  H      3.806293   19.987749    0.016394     2  4231
4236  4234  O      2.934307   24.791660   -1.814289     1  4235  4236
4237  4235  H      3.696038   25.332311   -2.191356     2  4234
4238  4236  H      3.431119   24.260034   -1.109340     2  4234
4239  4237  O      8.445290   19.625878   -0.131154     1  4238  4239
4240  4238  H      8.595309   20.606667   -0.377066     2  4237
4241  4239  H      8.312565   19.460301   -1.120269     2  4237
4242  4240  O      4.515836   16.892864    1.366182     1  4241  4242
4243  4241  H      3.631043   17.343597    1.535588     2  4240
4244  4242  H      5.131803   17.695714    1.415364     2  4240
4245  4243  O      6.603785   23.774811   -1.491871     1  4244  4245
4246  4244  H      5.789722   23.590680   -0.901680     2  4243
4247  4245  H      6.059429   23.398329   -2.256933     2  4243
4248  4246  O     10.820282   21.301325   -2.612139     1  4247  4248
4249  4247  H     11.018729   20.424052   -2.158567     2  4246
4250  4248  H     10.136363   21.679268   -1.967302     2  4246
4251  4249  O      5.846800   17.694559    4.666877     1  4250  4251
4252  4250  H      5.003507   18.219886    4.426429     2  4249
4253  4251  H      5.947028   18.329116    5.448333     2  4249
4254  4252  O      6.819014   13.525205    7.279016     1  4253  4254
4255  4253  H      6.057283   12.984554    7.656083     2  4252
4256  4254  H      6.322202   14.056831    6.574067     2  4252
4257  4255  O      1.308031   18.690987    5.595881     1  4256  4257
4258  4256  H      1.158012   17.710198    5.841793     2  4255
4259  4257  H      1.440756   18.856564    6.584996     2  4255
4260  4258  O      5.237485   21.424001    4.098545     1  4259  4260
4261  4259  H      6.122278   20.973268    3.929139     2  4258
4262  4260  H      4.621518   20.621151    4.049363     2  4258
4263  4261  O      3.149536   14.542054    6.956598     1  4262  4263
4264  4262  H      3.963599   14.726185    6.366407     2  4261
4265  4263  H      3.693892   14.918536    7.721660     2  4261
4266  4264  O     -1.066961   17.015540    8.076866     1  4265  4266
4267  4265  H     -1.265408   17.892813    7.623294     2  4264
4268  4266  H     -0.383042   16.637597    7.432029     2  4264
4269  4267  O      0.854138   16.001903    6.262577     1  4268  4269
4270  4268  H      1.697431   15.476576    6.503025     2  4267
4271  4269  H      0.753910   15.367346    5.481121     2  4267
4272  4270  O     -0.118076   20.171257    3.650438     1  4271  4272
4273  4271  H      0.643655   20.711908    3.273371     2  4270
4274  4272  H      0.378736   19.639631    4.355387     2  4270
4275  4273  O      5.392907   15.005475    5.333573     1  4274  4275
4276  4274  H      5.542926   15.986264    5.087661     2  4273
4277  4275  H      5.260182   14.839898    4.344458     2  4273
4278  4276  O      1.463453   12.272461    6.830909     1  4277  4278
4279  4277  H      0.578660   12.723194    7.000315     2  4276
4280  4278  H      2.079420   13.075311    6.880091     2  4276
4281  4279  O      3.551402   19.154408    3.972856     1  4280  4281
4282  4280  H      2.737339   18.970277    4.563047     2  4279
4283  4281  H      3.007046   18.777926    3.207794     2  4279
4284  4282  O      7.767899   16.680922    2.852588     1  4283  4284
4285  4283  H      7.966346   15.803649    3.306160     2  4282
4286  4284  H      7.083980   17.058865    3.497425     2  4282
4287  4285  O      2.794417   13.074156   10.131603     1  4286  4287
4288  4286  H      1.951124   13.599483    9.891155     2  4285
4289  4287  H      2.894645   13.708713   10.913059     2  4285
4290  4288  O      3.766631    8.904802   12.743742     1  4289  4290
4291  4289  H      3.004900    8.364151   13.120809     2  4288
4292  4290  H      3.269819    9.436428   12.038793     2  4288
4293  4291  O     -1.744352   14.070584   11.060607     1  4292  4293
4294  4292  H     -1.894371   13.089795   11.306519     2  4291
4295  4293  H     -1.611627   14.236161   12.049722     2  4291
4296  4294  O      2.185102   16.803598    9.563271     1  4295  4296
4297  4295  H      3.069895   16.352865    9.393865     2  4294
4298  4296  H      1.569135   16.000748    9.514089     2  4294
4299  4297  O      0.097153    9.921651   12.421324     1  4298  4299
4300  4298  H      0.911216   10.105782   11.831133     2  4297
4301  4299  H      0.641509   10.298133   13.186386     2  4297
4302  4300  O     -4.119344   12.395137   13.541592     1  4301  4302
4303  4301  H     -4.317791   13.272410   13.088020     2  4300
4304  4302  H     -3.435425   12.017194   12.896755     2  4300
4305  4303  O     -2.198245   11.381500   11.727303     1  4304  4305
4306  4304  H     -1.354952   10.856173   11.967751     2  4303
4307  4305  H     -2.298473   10.746943   10.945847     2  4303
4308  4306  O     -3.170459   15.550854    9.115164     1  4307  4308
4309  4307  H     -2.408728   16.091505    8.738097     2  4306
4310  4308  H     -2.673647   15.019228    9.820113     2  4306
4311  4309  O      2.340524   10.385072   10.798299     1  4310  4311
4312  4310  H      2.490543   11.365861   10.552387     2  4309
4313  4311  H      2.207799   10.219495    9.809184     2  4309
4314  4312  O     -1.588930    7.652058   12.295635     1  4313  4314
4315  4313  H     -2.473723    8.102791   12.465041     2  4312
4316  4314  H     -0.972963    8.454908   12.344817     2  4312
4317  4315  O      0.499019   14.534005    9.437582     1  4316  4317
4318  4316  H     -0.315044   14.349874   10.027773     2  4315
4319  4317  H     -0.045337   14.157523    8.672520     2  4315
4320  4318  O      4.715516   12.060519    8.317314     1  4319  4320
4321  4319  H      4.913963   11.183246    8.770886     2  4318
4322  4320  H      4.031597   12.438462    8.962151     2  4318
4323