1  1920  Ice XV Crystal (Density=1.364 at 80K and 1 Atm)
2    24.929200   24.975200   23.161200   90.060000   89.990000   89.920000
3     1  O      1.716324    1.568819    1.427308     1     2     3
4     2  H      1.633792    2.178696    2.158623     2     1
5     3  H      1.465339    0.737229    1.944382     2     1
6     4  O      1.460645   -2.994088   -2.204366     1     5     6
7     5  H      1.769277   -2.020172   -2.093772     2     4
8     6  H      2.287823   -3.395473   -1.694820     2     4
9     7  O      1.541197   -0.205617   -2.196839     1     8     9
10     8  H      2.409198    0.085620   -1.865055     2     7
11     9  H      0.880708    0.279038   -1.731878     2     7
12    10  O     -0.241099    1.495522   -0.723787     1    11    12
13    11  H      0.273238    2.148689   -1.382723     2    10
14    12  H      0.176288    1.720137    0.026635     2    10
15    13  O     -2.955642    1.696143   -0.910235     1    14    15
16    14  H     -2.002186    1.604107   -0.668780     2    13
17    15  H     -3.421109    1.630150    0.099593     2    13
18    16  O     -1.716324   -1.568819   -1.427308     1    17    18
19    17  H     -1.633792   -2.178696   -2.158623     2    16
20    18  H     -1.465339   -0.737229   -1.944382     2    16
21    19  O     -1.460645    2.994088    2.204366     1    20    21
22    20  H     -1.769277    2.020172    2.093772     2    19
23    21  H     -2.287823    3.395473    1.694820     2    19
24    22  O     -1.541197    0.205617    2.196839     1    23    24
25    23  H     -2.409198   -0.085620    1.865055     2    22
26    24  H     -0.880708   -0.279038    1.731878     2    22
27    25  O      0.241099   -1.495522    0.723787     1    26    27
28    26  H     -0.273238   -2.148689    1.382723     2    25
29    27  H     -0.176288   -1.720137   -0.026635     2    25
30    28  O      2.955642   -1.696143    0.910235     1    29    30
31    29  H      2.002186   -1.604107    0.668780     2    28
32    30  H      3.421109   -1.630150   -0.099593     2    28
33    31  O     -4.525705   -4.668910   -4.362989     1    32    33
34    32  H     -4.608237   -4.059033   -3.631674     2    31
35    33  H     -4.776690   -5.500500   -3.845915     2    31
36    34  O     -4.781384   -9.231817   -7.994663     1    35    36
37    35  H     -4.472752   -8.257901   -7.884069     2    34
38    36  H     -3.954206   -9.633202   -7.485117     2    34
39    37  O     -4.700832   -6.443346   -7.987136     1    38    39
40    38  H     -3.832831   -6.152109   -7.655352     2    37
41    39  H     -5.361321   -5.958691   -7.522175     2    37
42    40  O     -6.483128   -4.742207   -6.514084     1    41    42
43    41  H     -5.968791   -4.089040   -7.173020     2    40
44    42  H     -6.065741   -4.517592   -5.763662     2    40
45    43  O     -9.197671   -4.541586   -6.700532     1    44    45
46    44  H     -8.244215   -4.633622   -6.459077     2    43
47    45  H     -9.663138   -4.607579   -5.690704     2    43
48    46  O     -7.958353   -7.806548   -7.217605     1    47    48
49    47  H     -7.875821   -8.416425   -7.948920     2    46
50    48  H     -7.707368   -6.974958   -7.734679     2    46
51    49  O     -7.702674   -3.243641   -3.585931     1    50    51
52    50  H     -8.011306   -4.217557   -3.696525     2    49
53    51  H     -8.529852   -2.842256   -4.095477     2    49
54    52  O     -7.783226   -6.032112   -3.593458     1    53    54
55    53  H     -8.651227   -6.323349   -3.925242     2    52
56    54  H     -7.122737   -6.516767   -4.058419     2    52
57    55  O     -6.000930   -7.733251   -5.066510     1    56    57
58    56  H     -6.515267   -8.386418   -4.407574     2    55
59    57  H     -6.418317   -7.957866   -5.816932     2    55
60    58  O     -3.286387   -7.933872   -4.880062     1    59    60
61    59  H     -4.239843   -7.841836   -5.121517     2    58
62    60  H     -2.820920   -7.867879   -5.889890     2    58
63    61  O     -4.524694   -4.674975    1.427308     1    62    63
64    62  H     -4.607226   -4.065098    2.158623     2    61
65    63  H     -4.775679   -5.506565    1.944382     2    61
66    64  O     -4.780373   -9.237882   -2.204366     1    65    66
67    65  H     -4.471741   -8.263966   -2.093772     2    64
68    66  H     -3.953195   -9.639267   -1.694820     2    64
69    67  O     -4.699821   -6.449411   -2.196839     1    68    69
70    68  H     -3.831820   -6.158174   -1.865055     2    67
71    69  H     -5.360310   -5.964756   -1.731878     2    67
72    70  O     -6.482117   -4.748272   -0.723787     1    71    72
73    71  H     -5.967780   -4.095105   -1.382723     2    70
74    72  H     -6.064730   -4.523657    0.026635     2    70
75    73  O     -9.196660   -4.547651   -0.910235     1    74    75
76    74  H     -8.243204   -4.639687   -0.668780     2    73
77    75  H     -9.662127   -4.613644    0.099593     2    73
78    76  O     -7.957342   -7.812613   -1.427308     1    77    78
79    77  H     -7.874810   -8.422490   -2.158623     2    76
80    78  H     -7.706357   -6.981023   -1.944382     2    76
81    79  O     -7.701663   -3.249706    2.204366     1    80    81
82    80  H     -8.010295   -4.223622    2.093772     2    79
83    81  H     -8.528841   -2.848321    1.694820     2    79
84    82  O     -7.782215   -6.038177    2.196839     1    83    84
85    83  H     -8.650216   -6.329414    1.865055     2    82
86    84  H     -7.121726   -6.522832    1.731878     2    82
87    85  O     -5.999919   -7.739316    0.723787     1    86    87
88    86  H     -6.514256   -8.392483    1.382723     2    85
89    87  H     -6.417306   -7.963931   -0.026635     2    85
90    88  O     -3.285376   -7.939937    0.910235     1    89    90
91    89  H     -4.238832   -7.847901    0.668780     2    88
92    90  H     -2.819909   -7.873944   -0.099593     2    88
93    91  O     -4.523683   -4.681040    7.217605     1    92    93
94    92  H     -4.606215   -4.071163    7.948920     2    91
95    93  H     -4.774668   -5.512630    7.734679     2    91
96    94  O     -4.779362   -9.243947    3.585931     1    95    96
97    95  H     -4.470730   -8.270031    3.696525     2    94
98    96  H     -3.952184   -9.645332    4.095477     2    94
99    97  O     -4.698810   -6.455476    3.593458     1    98    99
100    98  H     -3.830809   -6.164239    3.925242     2    97
101    99  H     -5.359299   -5.970821    4.058419     2    97
102   100  O     -6.481106   -4.754337    5.066510     1   101   102
103   101  H     -5.966769   -4.101170    4.407574     2   100
104   102  H     -6.063719   -4.529722    5.816932     2   100
105   103  O     -9.195649   -4.553716    4.880062     1   104   105
106   104  H     -8.242193   -4.645752    5.121517     2   103
107   105  H     -9.661116   -4.619709    5.889890     2   103
108   106  O     -7.956331   -7.818678    4.362989     1   107   108
109   107  H     -7.873799   -8.428555    3.631674     2   106
110   108  H     -7.705346   -6.987088    3.845915     2   106
111   109  O     -7.700652   -3.255771    7.994663     1   110   111
112   110  H     -8.009284   -4.229687    7.884069     2   109
113   111  H     -8.527830   -2.854386    7.485117     2   109
114   112  O     -7.781204   -6.044242    7.987136     1   113   114
115   113  H     -8.649205   -6.335479    7.655352     2   112
116   114  H     -7.120715   -6.528897    7.522175     2   112
117   115  O     -5.998908   -7.745381    6.514084     1   116   117
118   116  H     -6.513245   -8.398548    7.173020     2   115
119   117  H     -6.416295   -7.969996    5.763662     2   115
120   118  O     -3.284365   -7.946002    6.700532     1   119   120
121   119  H     -4.237821   -7.853966    6.459077     2   118
122   120  H     -2.818898   -7.880009    5.690704     2   118
123   121  O     -4.522673   -4.687105   13.007901     1   122   123
124   122  H     -4.605205   -4.077228   13.739216     2   121
125   123  H     -4.773658   -5.518695   13.524975     2   121
126   124  O     -4.778352   -9.250012    9.376227     1   125   126
127   125  H     -4.469720   -8.276096    9.486821     2   124
128   126  H     -3.951174   -9.651397    9.885773     2   124
129   127  O     -4.697800   -6.461541    9.383754     1   128   129
130   128  H     -3.829799   -6.170304    9.715538     2   127
131   129  H     -5.358289   -5.976886    9.848715     2   127
132   130  O     -6.480096   -4.760402   10.856806     1   131   132
133   131  H     -5.965759   -4.107235   10.197870     2   130
134   132  H     -6.062709   -4.535787   11.607228     2   130
135   133  O     -9.194639   -4.559781   10.670358     1   134   135
136   134  H     -8.241183   -4.651817   10.911813     2   133
137   135  H     -9.660106   -4.625774   11.680186     2   133
138   136  O     -7.955321   -7.824743   10.153285     1   137   138
139   137  H     -7.872789   -8.434620    9.421970     2   136
140   138  H     -7.704336   -6.993153    9.636211     2   136
141   139  O     -7.699642   -3.261836   13.784959     1   140   141
142   140  H     -8.008274   -4.235752   13.674365     2   139
143   141  H     -8.526820   -2.860451   13.275413     2   139
144   142  O     -7.780194   -6.050307   13.777432     1   143   144
145   143  H     -8.648195   -6.341544   13.445648     2   142
146   144  H     -7.119705   -6.534962   13.312471     2   142
147   145  O     -5.997898   -7.751446   12.304380     1   146   147
148   146  H     -6.512235   -8.404613   12.963316     2   145
149   147  H     -6.415285   -7.976061   11.553958     2   145
150   148  O     -3.283355   -7.952067   12.490828     1   149   150
151   149  H     -4.236811   -7.860031   12.249373     2   148
152   150  H     -2.817888   -7.886074   11.481000     2   148
153   151  O     -4.516987    1.574884   -4.362989     1   152   153
154   152  H     -4.599519    2.184761   -3.631674     2   151
155   153  H     -4.767972    0.743294   -3.845915     2   151
156   154  O     -4.772666   -2.988023   -7.994663     1   155   156
157   155  H     -4.464034   -2.014107   -7.884069     2   154
158   156  H     -3.945488   -3.389408   -7.485117     2   154
159   157  O     -4.692114   -0.199552   -7.987136     1   158   159
160   158  H     -3.824113    0.091685   -7.655352     2   157
161   159  H     -5.352603    0.285103   -7.522175     2   157
162   160  O     -6.474410    1.501587   -6.514084     1   161   162
163   161  H     -5.960073    2.154754   -7.173020     2   160
164   162  H     -6.057023    1.726202   -5.763662     2   160
165   163  O     -9.188953    1.702208   -6.700532     1   164   165
166   164  H     -8.235497    1.610172   -6.459077     2   163
167   165  H     -9.654420    1.636215   -5.690704     2   163
168   166  O     -7.949635   -1.562754   -7.217605     1   167   168
169   167  H     -7.867103   -2.172631   -7.948920     2   166
170   168  H     -7.698650   -0.731164   -7.734679     2   166
171   169  O     -7.693956    3.000153   -3.585931     1   170   171
172   170  H     -8.002588    2.026237   -3.696525     2   169
173   171  H     -8.521134    3.401538   -4.095477     2   169
174   172  O     -7.774508    0.211682   -3.593458     1   173   174
175   173  H     -8.642509   -0.079555   -3.925242     2   172
176   174  H     -7.114019   -0.272973   -4.058419     2   172
177   175  O     -5.992212   -1.489457   -5.066510     1   176   177
178   176  H     -6.506549   -2.142624   -4.407574     2   175
179   177  H     -6.409599   -1.714072   -5.816932     2   175
180   178  O     -3.277669   -1.690078   -4.880062     1   179   180
181   179  H     -4.231125   -1.598042   -5.121517     2   178
182   180  H     -2.812202   -1.624085   -5.889890     2   178
183   181  O     -4.515976    1.568819    1.427308     1   182   183
184   182  H     -4.598508    2.178696    2.158623     2   181
185   183  H     -4.766961    0.737229    1.944382     2   181
186   184  O     -4.771655   -2.994088   -2.204366     1   185   186
187   185  H     -4.463023   -2.020172   -2.093772     2   184
188   186  H     -3.944477   -3.395473   -1.694820     2   184
189   187  O     -4.691103   -0.205617   -2.196839     1   188   189
190   188  H     -3.823102    0.085620   -1.865055     2   187
191   189  H     -5.351592    0.279038   -1.731878     2   187
192   190  O     -6.473399    1.495522   -0.723787     1   191   192
193   191  H     -5.959062    2.148689   -1.382723     2   190
194   192  H     -6.056012    1.720137    0.026635     2   190
195   193  O     -9.187942    1.696143   -0.910235     1   194   195
196   194  H     -8.234486    1.604107   -0.668780     2   193
197   195  H     -9.653409    1.630150    0.099593     2   193
198   196  O     -7.948624   -1.568819   -1.427308     1   197   198
199   197  H     -7.866092   -2.178696   -2.158623     2   196
200   198  H     -7.697639   -0.737229   -1.944382     2   196
201   199  O     -7.692945    2.994088    2.204366     1   200   201
202   200  H     -8.001577    2.020172    2.093772     2   199
203   201  H     -8.520123    3.395473    1.694820     2   199
204   202  O     -7.773497    0.205617    2.196839     1   203   204
205   203  H     -8.641498   -0.085620    1.865055     2   202
206   204  H     -7.113008   -0.279038    1.731878     2   202
207   205  O     -5.991201   -1.495522    0.723787     1   206   207
208   206  H     -6.505538   -2.148689    1.382723     2   205
209   207  H     -6.408588   -1.720137   -0.026635     2   205
210   208  O     -3.276658   -1.696143    0.910235     1   209   210
211   209  H     -4.230114   -1.604107    0.668780     2   208
212   210  H     -2.811191   -1.630150   -0.099593     2   208
213   211  O     -4.514965    1.562754    7.217605     1   212   213
214   212  H     -4.597497    2.172631    7.948920     2   211
215   213  H     -4.765950    0.731164    7.734679     2   211
216   214  O     -4.770644   -3.000153    3.585931     1   215   216
217   215  H     -4.462012   -2.026237    3.696525     2   214
218   216  H     -3.943466   -3.401538    4.095477     2   214
219   217  O     -4.690092   -0.211682    3.593458     1   218   219
220   218  H     -3.822091    0.079555    3.925242     2   217
221   219  H     -5.350581    0.272973    4.058419     2   217
222   220  O     -6.472388    1.489457    5.066510     1   221   222
223   221  H     -5.958051    2.142624    4.407574     2   220
224   222  H     -6.055001    1.714072    5.816932     2   220
225   223  O     -9.186931    1.690078    4.880062     1   224   225
226   224  H     -8.233475    1.598042    5.121517     2   223
227   225  H     -9.652398    1.624085    5.889890     2   223
228   226  O     -7.947613   -1.574884    4.362989     1   227   228
229   227  H     -7.865081   -2.184761    3.631674     2   226
230   228  H     -7.696628   -0.743294    3.845915     2   226
231   229  O     -7.691934    2.988023    7.994663     1   230   231
232   230  H     -8.000566    2.014107    7.884069     2   229
233   231  H     -8.519112    3.389408    7.485117     2   229
234   232  O     -7.772486    0.199552    7.987136     1   233   234
235   233  H     -8.640487   -0.091685    7.655352     2   232
236   234  H     -7.111997   -0.285103    7.522175     2   232
237   235  O     -5.990190   -1.501587    6.514084     1   236   237
238   236  H     -6.504527   -2.154754    7.173020     2   235
239   237  H     -6.407577   -1.726202    5.763662     2   235
240   238  O     -3.275647   -1.702208    6.700532     1   239   240
241   239  H     -4.229103   -1.610172    6.459077     2   238
242   240  H     -2.810180   -1.636215    5.690704     2   238
243   241  O     -4.513955    1.556689   13.007901     1   242   243
244   242  H     -4.596487    2.166566   13.739216     2   241
245   243  H     -4.764940    0.725099   13.524975     2   241
246   244  O     -4.769634   -3.006218    9.376227     1   245   246
247   245  H     -4.461002   -2.032302    9.486821     2   244
248   246  H     -3.942456   -3.407603    9.885773     2   244
249   247  O     -4.689082   -0.217747    9.383754     1   248   249
250   248  H     -3.821081    0.073490    9.715538     2   247
251   249  H     -5.349571    0.266908    9.848715     2   247
252   250  O     -6.471378    1.483392   10.856806     1   251   252
253   251  H     -5.957041    2.136559   10.197870     2   250
254   252  H     -6.053991    1.708007   11.607228     2   250
255   253  O     -9.185921    1.684013   10.670358     1   254   255
256   254  H     -8.232465    1.591977   10.911813     2   253
257   255  H     -9.651388    1.618020   11.680186     2   253
258   256  O     -7.946603   -1.580949   10.153285     1   257   258
259   257  H     -7.864071   -2.190826    9.421970     2   256
260   258  H     -7.695618   -0.749359    9.636211     2   256
261   259  O     -7.690924    2.981958   13.784959     1   260   261
262   260  H     -7.999556    2.008042   13.674365     2   259
263   261  H     -8.518102    3.383343   13.275413     2   259
264   262  O     -7.771476    0.193487   13.777432     1   263   264
265   263  H     -8.639477   -0.097750   13.445648     2   262
266   264  H     -7.110987   -0.291168   13.312471     2   262
267   265  O     -5.989180   -1.507652   12.304380     1   266   267
268   266  H     -6.503517   -2.160819   12.963316     2   265
269   267  H     -6.406567   -1.732267   11.553958     2   265
270   268  O     -3.274637   -1.708273   12.490828     1   269   270
271   269  H     -4.228093   -1.616237   12.249373     2   268
272   270  H     -2.809170   -1.642280   11.481000     2   268
273   271  O     -4.508269    7.818678   -4.362989     1   272   273
274   272  H     -4.590801    8.428555   -3.631674     2   271
275   273  H     -4.759254    6.987088   -3.845915     2   271
276   274  O     -4.763948    3.255771   -7.994663     1   275   276
277   275  H     -4.455316    4.229687   -7.884069     2   274
278   276  H     -3.936770    2.854386   -7.485117     2   274
279   277  O     -4.683396    6.044242   -7.987136     1   278   279
280   278  H     -3.815395    6.335479   -7.655352     2   277
281   279  H     -5.343885    6.528897   -7.522175     2   277
282   280  O     -6.465692    7.745381   -6.514084     1   281   282
283   281  H     -5.951355    8.398548   -7.173020     2   280
284   282  H     -6.048305    7.969996   -5.763662     2   280
285   283  O     -9.180235    7.946002   -6.700532     1   284   285
286   284  H     -8.226779    7.853966   -6.459077     2   283
287   285  H     -9.645702    7.880009   -5.690704     2   283
288   286  O     -7.940917    4.681040   -7.217605     1   287   288
289   287  H     -7.858385    4.071163   -7.948920     2   286
290   288  H     -7.689932    5.512630   -7.734679     2   286
291   289  O     -7.685238    9.243947   -3.585931     1   290   291
292   290  H     -7.993870    8.270031   -3.696525     2   289
293   291  H     -8.512416    9.645332   -4.095477     2   289
294   292  O     -7.765790    6.455476   -3.593458     1   293   294
295   293  H     -8.633791    6.164239   -3.925242     2   292
296   294  H     -7.105301    5.970821   -4.058419     2   292
297   295  O     -5.983494    4.754337   -5.066510     1   296   297
298   296  H     -6.497831    4.101170   -4.407574     2   295
299   297  H     -6.400881    4.529722   -5.816932     2   295
300   298  O     -3.268951    4.553716   -4.880062     1   299   300
301   299  H     -4.222407    4.645752   -5.121517     2   298
302   300  H     -2.803484    4.619709   -5.889890     2   298
303   301  O     -4.507258    7.812613    1.427308     1   302   303
304   302  H     -4.589790    8.422490    2.158623     2   301
305   303  H     -4.758243    6.981023    1.944382     2   301
306   304  O     -4.762937    3.249706   -2.204366     1   305   306
307   305  H     -4.454305    4.223622   -2.093772     2   304
308   306  H     -3.935759    2.848321   -1.694820     2   304
309   307  O     -4.682385    6.038177   -2.196839     1   308   309
310   308  H     -3.814384    6.329414   -1.865055     2   307
311   309  H     -5.342874    6.522832   -1.731878     2   307
312   310  O     -6.464681    7.739316   -0.723787     1   311   312
313   311  H     -5.950344    8.392483   -1.382723     2   310
314   312  H     -6.047294    7.963931    0.026635     2   310
315   313  O     -9.179224    7.939937   -0.910235     1   314   315
316   314  H     -8.225768    7.847901   -0.668780     2   313
317   315  H     -9.644691    7.873944    0.099593     2   313
318   316  O     -7.939906    4.674975   -1.427308     1   317   318
319   317  H     -7.857374    4.065098   -2.158623     2   316
320   318  H     -7.688921    5.506565   -1.944382     2   316
321   319  O     -7.684227    9.237882    2.204366     1   320   321
322   320  H     -7.992859    8.263966    2.093772     2   319
323   321  H     -8.511405    9.639267    1.694820     2   319
324   322  O     -7.764779    6.449411    2.196839     1   323   324
325   323  H     -8.632780    6.158174    1.865055     2   322
326   324  H     -7.104290    5.964756    1.731878     2   322
327   325  O     -5.982483    4.748272    0.723787     1   326   327
328   326  H     -6.496820    4.095105    1.382723     2   325
329   327  H     -6.399870    4.523657   -0.026635     2   325
330   328  O     -3.267940    4.547651    0.910235     1   329   330
331   329  H     -4.221396    4.639687    0.668780     2   328
332   330  H     -2.802473    4.613644   -0.099593     2   328
333   331  O     -4.506247    7.806548    7.217605     1   332   333
334   332  H     -4.588779    8.416425    7.948920     2   331
335   333  H     -4.757232    6.974958    7.734679     2   331
336   334  O     -4.761926    3.243641    3.585931     1   335   336
337   335  H     -4.453294    4.217557    3.696525     2   334
338   336  H     -3.934748    2.842256    4.095477     2   334
339   337  O     -4.681374    6.032112    3.593458     1   338   339
340   338  H     -3.813373    6.323349    3.925242     2   337
341   339  H     -5.341863    6.516767    4.058419     2   337
342   340  O     -6.463670    7.733251    5.066510     1   341   342
343   341  H     -5.949333    8.386418    4.407574     2   340
344   342  H     -6.046283    7.957866    5.816932     2   340
345   343  O     -9.178213    7.933872    4.880062     1   344   345
346   344  H     -8.224757    7.841836    5.121517     2   343
347   345  H     -9.643680    7.867879    5.889890     2   343
348   346  O     -7.938895    4.668910    4.362989     1   347   348
349   347  H     -7.856363    4.059033    3.631674     2   346
350   348  H     -7.687910    5.500500    3.845915     2   346
351   349  O     -7.683216    9.231817    7.994663     1   350   351
352   350  H     -7.991848    8.257901    7.884069     2   349
353   351  H     -8.510394    9.633202    7.485117     2   349
354   352  O     -7.763768    6.443346    7.987136     1   353   354
355   353  H     -8.631769    6.152109    7.655352     2   352
356   354  H     -7.103279    5.958691    7.522175     2   352
357   355  O     -5.981472    4.742207    6.514084     1   356   357
358   356  H     -6.495809    4.089040    7.173020     2   355
359   357  H     -6.398859    4.517592    5.763662     2   355
360   358  O     -3.266929    4.541586    6.700532     1   359   360
361   359  H     -4.220385    4.633622    6.459077     2   358
362   360  H     -2.801462    4.607579    5.690704     2   358
363   361  O     -4.505237    7.800483   13.007901     1   362   363
364   362  H     -4.587769    8.410360   13.739216     2   361
365   363  H     -4.756222    6.968893   13.524975     2   361
366   364  O     -4.760916    3.237576    9.376227     1   365   366
367   365  H     -4.452284    4.211492    9.486821     2   364
368   366  H     -3.933738    2.836191    9.885773     2   364
369   367  O     -4.680364    6.026047    9.383754     1   368   369
370   368  H     -3.812363    6.317284    9.715538     2   367
371   369  H     -5.340853    6.510702    9.848715     2   367
372   370  O     -6.462660    7.727186   10.856806     1   371   372
373   371  H     -5.948323    8.380353   10.197870     2   370
374   372  H     -6.045273    7.951801   11.607228     2   370
375   373  O     -9.177203    7.927807   10.670358     1   374   375
376   374  H     -8.223747    7.835771   10.911813     2   373
377   375  H     -9.642670    7.861814   11.680186     2   373
378   376  O     -7.937885    4.662845   10.153285     1   377   378
379   377  H     -7.855353    4.052968    9.421970     2   376
380   378  H     -7.686900    5.494435    9.636211     2   376
381   379  O     -7.682206    9.225752   13.784959     1   380   381
382   380  H     -7.990838    8.251836   13.674365     2   379
383   381  H     -8.509384    9.627137   13.275413     2   379
384   382  O     -7.762758    6.437281   13.777432     1   383   384
385   383  H     -8.630759    6.146044   13.445648     2   382
386   384  H     -7.102269    5.952626   13.312471     2   382
387   385  O     -5.980462    4.736142   12.304380     1   386   387
388   386  H     -6.494799    4.082975   12.963316     2   385
389   387  H     -6.397849    4.511527   11.553958     2   385
390   388  O     -3.265919    4.535521   12.490828     1   389   390
391   389  H     -4.219375    4.627557   12.249373     2   388
392   390  H     -2.800452    4.601514   11.481000     2   388
393   391  O     -4.499551   14.062472   -4.362989     1   392   393
394   392  H     -4.582083   14.672349   -3.631674     2   391
395   393  H     -4.750536   13.230882   -3.845915     2   391
396   394  O     -4.755230    9.499565   -7.994663     1   395   396
397   395  H     -4.446598   10.473481   -7.884069     2   394
398   396  H     -3.928052    9.098180   -7.485117     2   394
399   397  O     -4.674678   12.288036   -7.987136     1   398   399
400   398  H     -3.806677   12.579273   -7.655352     2   397
401   399  H     -5.335167   12.772691   -7.522175     2   397
402   400  O     -6.456974   13.989175   -6.514084     1   401   402
403   401  H     -5.942637   14.642342   -7.173020     2   400
404   402  H     -6.039587   14.213790   -5.763662     2   400
405   403  O     -9.171517   14.189796   -6.700532     1   404   405
406   404  H     -8.218061   14.097760   -6.459077     2   403
407   405  H     -9.636984   14.123803   -5.690704     2   403
408   406  O     -7.932199   10.924834   -7.217605     1   407   408
409   407  H     -7.849667   10.314957   -7.948920     2   406
410   408  H     -7.681214   11.756424   -7.734679     2   406
411   409  O     -7.676520   15.487741   -3.585931     1   410   411
412   410  H     -7.985152   14.513825   -3.696525     2   409
413   411  H     -8.503698   15.889126   -4.095477     2   409
414   412  O     -7.757072   12.699270   -3.593458     1   413   414
415   413  H     -8.625073   12.408033   -3.925242     2   412
416   414  H     -7.096583   12.214615   -4.058419     2   412
417   415  O     -5.974776   10.998131   -5.066510     1   416   417
418   416  H     -6.489113   10.344964   -4.407574     2   415
419   417  H     -6.392163   10.773516   -5.816932     2   415
420   418  O     -3.260233   10.797510   -4.880062     1   419   420
421   419  H     -4.213689   10.889546   -5.121517     2   418
422   420  H     -2.794766   10.863503   -5.889890     2   418
423   421  O     -4.498540   14.056407    1.427308     1   422   423
424   422  H     -4.581072   14.666284    2.158623     2   421
425   423  H     -4.749525   13.224817    1.944382     2   421
426   424  O     -4.754219    9.493500   -2.204366     1   425   426
427   425  H     -4.445587   10.467416   -2.093772     2   424
428   426  H     -3.927041    9.092115   -1.694820     2   424
429   427  O     -4.673667   12.281971   -2.196839     1   428   429
430   428  H     -3.805666   12.573208   -1.865055     2   427
431   429  H     -5.334156   12.766626   -1.731878     2   427
432   430  O     -6.455963   13.983110   -0.723787     1   431   432
433   431  H     -5.941626   14.636277   -1.382723     2   430
434   432  H     -6.038576   14.207725    0.026635     2   430
435   433  O     -9.170506   14.183731   -0.910235     1   434   435
436   434  H     -8.217050   14.091695   -0.668780     2   433
437   435  H     -9.635973   14.117738    0.099593     2   433
438   436  O     -7.931188   10.918769   -1.427308     1   437   438
439   437  H     -7.848656   10.308892   -2.158623     2   436
440   438  H     -7.680203   11.750359   -1.944382     2   436
441   439  O     -7.675509   15.481676    2.204366     1   440   441
442   440  H     -7.984141   14.507760    2.093772     2   439
443   441  H     -8.502687   15.883061    1.694820     2   439
444   442  O     -7.756061   12.693205    2.196839     1   443   444
445   443  H     -8.624062   12.401968    1.865055     2   442
446   444  H     -7.095572   12.208550    1.731878     2   442
447   445  O     -5.973765   10.992066    0.723787     1   446   447
448   446  H     -6.488102   10.338899    1.382723     2   445
449   447  H     -6.391152   10.767451   -0.026635     2   445
450   448  O     -3.259222   10.791445    0.910235     1   449   450
451   449  H     -4.212678   10.883481    0.668780     2   448
452   450  H     -2.793755   10.857438   -0.099593     2   448
453   451  O     -4.497529   14.050342    7.217605     1   452   453
454   452  H     -4.580061   14.660219    7.948920     2   451
455   453  H     -4.748514   13.218752    7.734679     2   451
456   454  O     -4.753208    9.487435    3.585931     1   455   456
457   455  H     -4.444576   10.461351    3.696525     2   454
458   456  H     -3.926030    9.086050    4.095477     2   454
459   457  O     -4.672656   12.275906    3.593458     1   458   459
460   458  H     -3.804655   12.567143    3.925242     2   457
461   459  H     -5.333145   12.760561    4.058419     2   457
462   460  O     -6.454952   13.977045    5.066510     1   461   462
463   461  H     -5.940615   14.630212    4.407574     2   460
464   462  H     -6.037565   14.201660    5.816932     2   460
465   463  O     -9.169495   14.177666    4.880062     1   464   465
466   464  H     -8.216039   14.085630    5.121517     2   463
467   465  H     -9.634962   14.111673    5.889890     2   463
468   466  O     -7.930177   10.912704    4.362989     1   467   468
469   467  H     -7.847645   10.302827    3.631674     2   466
470   468  H     -7.679192   11.744294    3.845915     2   466
471   469  O     -7.674498   15.475611    7.994663     1   470   471
472   470  H     -7.983130   14.501695    7.884069     2   469
473   471  H     -8.501676   15.876996    7.485117     2   469
474   472  O     -7.755050   12.687140    7.987136     1   473   474
475   473  H     -8.623051   12.395903    7.655352     2   472
476   474  H     -7.094561   12.202485    7.522175     2   472
477   475  O     -5.972754   10.986001    6.514084     1   476   477
478   476  H     -6.487091   10.332834    7.173020     2   475
479   477  H     -6.390141   10.761386    5.763662     2   475
480   478  O     -3.258211   10.785380    6.700532     1   479   480
481   479  H     -4.211667   10.877416    6.459077     2   478
482   480  H     -2.792744   10.851373    5.690704     2   478
483   481  O     -4.496519   14.044277   13.007901     1   482   483
484   482  H     -4.579051   14.654154   13.739216     2   481
485   483  H     -4.747504   13.212687   13.524975     2   481
486   484  O     -4.752198    9.481370    9.376227     1   485   486
487   485  H     -4.443566   10.455286    9.486821     2   484
488   486  H     -3.925020    9.079985    9.885773     2   484
489   487  O     -4.671646   12.269841    9.383754     1   488   489
490   488  H     -3.803645   12.561078    9.715538     2   487
491   489  H     -5.332135   12.754496    9.848715     2   487
492   490  O     -6.453942   13.970980   10.856806     1   491   492
493   491  H     -5.939605   14.624147   10.197870     2   490
494   492  H     -6.036555   14.195595   11.607228     2   490
495   493  O     -9.168485   14.171601   10.670358     1   494   495
496   494  H     -8.215029   14.079565   10.911813     2   493
497   495  H     -9.633952   14.105608   11.680186     2   493
498   496  O     -7.929167   10.906639   10.153285     1   497   498
499   497  H     -7.846635   10.296762    9.421970     2   496
500   498  H     -7.678182   11.738229    9.636211     2   496
501   499  O     -7.673488   15.469546   13.784959     1   500   501
502   500  H     -7.982120   14.495630   13.674365     2   499
503   501  H     -8.500666   15.870931   13.275413     2   499
504   502  O     -7.754040   12.681075   13.777432     1   503   504
505   503  H     -8.622041   12.389838   13.445648     2   502
506   504  H     -7.093551   12.196420   13.312471     2   502
507   505  O     -5.971744   10.979936   12.304380     1   506   507
508   506  H     -6.486081   10.326769   12.963316     2   505
509   507  H     -6.389131   10.755321   11.553958     2   505
510   508  O     -3.257201   10.779315   12.490828     1   509   510
511   509  H     -4.210657   10.871351   12.249373     2   508
512   510  H     -2.791734   10.845308   11.481000     2   508
513   511  O      1.706595   -4.668910   -4.362989     1   512   513
514   512  H      1.624063   -4.059033   -3.631674     2   511
515   513  H      1.455610   -5.500500   -3.845915     2   511
516   514  O      1.450916   -9.231817   -7.994663     1   515   516
517   515  H      1.759548   -8.257901   -7.884069     2   514
518   516  H      2.278094   -9.633202   -7.485117     2   514
519   517  O      1.531468   -6.443346   -7.987136     1   518   519
520   518  H      2.399469   -6.152109   -7.655352     2   517
521   519  H      0.870979   -5.958691   -7.522175     2   517
522   520  O     -0.250828   -4.742207   -6.514084     1   521   522
523   521  H      0.263509   -4.089040   -7.173020     2   520
524   522  H      0.166559   -4.517592   -5.763662     2   520
525   523  O     -2.965371   -4.541586   -6.700532     1   524   525
526   524  H     -2.011915   -4.633622   -6.459077     2   523
527   525  H     -3.430838   -4.607579   -5.690704     2   523
528   526  O     -1.726053   -7.806548   -7.217605     1   527   528
529   527  H     -1.643521   -8.416425   -7.948920     2   526
530   528  H     -1.475068   -6.974958   -7.734679     2   526
531   529  O     -1.470374   -3.243641   -3.585931     1   530   531
532   530  H     -1.779006   -4.217557   -3.696525     2   529
533   531  H     -2.297552   -2.842256   -4.095477     2   529
534   532  O     -1.550926   -6.032112   -3.593458     1   533   534
535   533  H     -2.418927   -6.323349   -3.925242     2   532
536   534  H     -0.890437   -6.516767   -4.058419     2   532
537   535  O      0.231370   -7.733251   -5.066510     1   536   537
538   536  H     -0.282967   -8.386418   -4.407574     2   535
539   537  H     -0.186017   -7.957866   -5.816932     2   535
540   538  O      2.945913   -7.933872   -4.880062     1   539   540
541   539  H      1.992457   -7.841836   -5.121517     2   538
542   540  H      3.411380   -7.867879   -5.889890     2   538
543   541  O      1.707606   -4.674975    1.427308     1   542   543
544   542  H      1.625074   -4.065098    2.158623     2   541
545   543  H      1.456621   -5.506565    1.944382     2   541
546   544  O      1.451927   -9.237882   -2.204366     1   545   546
547   545  H      1.760559   -8.263966   -2.093772     2   544
548   546  H      2.279105   -9.639267   -1.694820     2   544
549   547  O      1.532479   -6.449411   -2.196839     1   548   549
550   548  H      2.400480   -6.158174   -1.865055     2   547
551   549  H      0.871990   -5.964756   -1.731878     2   547
552   550  O     -0.249817   -4.748272   -0.723787     1   551   552
553   551  H      0.264520   -4.095105   -1.382723     2   550
554   552  H      0.167570   -4.523657    0.026635     2   550
555   553  O     -2.964360   -4.547651   -0.910235     1   554   555
556   554  H     -2.010904   -4.639687   -0.668780     2   553
557   555  H     -3.429827   -4.613644    0.099593     2   553
558   556  O     -1.725042   -7.812613   -1.427308     1   557   558
559   557  H     -1.642510   -8.422490   -2.158623     2   556
560   558  H     -1.474057   -6.981023   -1.944382     2   556
561   559  O     -1.469363   -3.249706    2.204366     1   560   561
562   560  H     -1.777995   -4.223622    2.093772     2   559
563   561  H     -2.296541   -2.848321    1.694820     2   559
564   562  O     -1.549915   -6.038177    2.196839     1   563   564
565   563  H     -2.417916   -6.329414    1.865055     2   562
566   564  H     -0.889426   -6.522832    1.731878     2   562
567   565  O      0.232381   -7.739316    0.723787     1   566   567
568   566  H     -0.281956   -8.392483    1.382723     2   565
569   567  H     -0.185006   -7.963931   -0.026635     2   565
570   568  O      2.946924   -7.939937    0.910235     1   569   570
571   569  H      1.993468   -7.847901    0.668780     2   568
572   570  H      3.412391   -7.873944   -0.099593     2   568
573   571  O      1.708617   -4.681040    7.217605     1   572   573
574   572  H      1.626085   -4.071163    7.948920     2   571
575   573  H      1.457632   -5.512630    7.734679     2   571
576   574  O      1.452938   -9.243947    3.585931     1   575   576
577   575  H      1.761570   -8.270031    3.696525     2   574
578   576  H      2.280116   -9.645332    4.095477     2   574
579   577  O      1.533490   -6.455476    3.593458     1   578   579
580   578  H      2.401491   -6.164239    3.925242     2   577
581   579  H      0.873001   -5.970821    4.058419     2   577
582   580  O     -0.248806   -4.754337    5.066510     1   581   582
583   581  H      0.265531   -4.101170    4.407574     2   580
584   582  H      0.168581   -4.529722    5.816932     2   580
585   583  O     -2.963349   -4.553716    4.880062     1   584   585
586   584  H     -2.009893   -4.645752    5.121517     2   583
587   585  H     -3.428816   -4.619709    5.889890     2   583
588   586  O     -1.724031   -7.818678    4.362989     1   587   588
589   587  H     -1.641499   -8.428555    3.631674     2   586
590   588  H     -1.473046   -6.987088    3.845915     2   586
591   589  O     -1.468352   -3.255771    7.994663     1   590   591
592   590  H     -1.776984   -4.229687    7.884069     2   589
593   591  H     -2.295530   -2.854386    7.485117     2   589
594   592  O     -1.548904   -6.044242    7.987136     1   593   594
595   593  H     -2.416905   -6.335479    7.655352     2   592
596   594  H     -0.888415   -6.528897    7.522175     2   592
597   595  O      0.233392   -7.745381    6.514084     1   596   597
598   596  H     -0.280945   -8.398548    7.173020     2   595
599   597  H     -0.183995   -7.969996    5.763662     2   595
600   598  O      2.947935   -7.946002    6.700532     1   599   600
601   599  H      1.994479   -7.853966    6.459077     2   598
602   600  H      3.413402   -7.880009    5.690704     2   598
603   601  O      1.709627   -4.687105   13.007901     1   602   603
604   602  H      1.627095   -4.077228   13.739216     2   601
605   603  H      1.458642   -5.518695   13.524975     2   601
606   604  O      1.453948   -9.250012    9.376227     1   605   606
607   605  H      1.762580   -8.276096    9.486821     2   604
608   606  H      2.281126   -9.651397    9.885773     2   604
609   607  O      1.534500   -6.461541    9.383754     1   608   609
610   608  H      2.402501   -6.170304    9.715538     2   607
611   609  H      0.874011   -5.976886    9.848715     2   607
612   610  O     -0.247796   -4.760402   10.856806     1   611   612
613   611  H      0.266541   -4.107235   10.197870     2   610
614   612  H      0.169591   -4.535787   11.607228     2   610
615   613  O     -2.962339   -4.559781   10.670358     1   614   615
616   614  H     -2.008883   -4.651817   10.911813     2   613
617   615  H     -3.427806   -4.625774   11.680186     2   613
618   616  O     -1.723021   -7.824743   10.153285     1   617   618
619   617  H     -1.640489   -8.434620    9.421970     2   616
620   618  H     -1.472036   -6.993153    9.636211     2   616
621   619  O     -1.467342   -3.261836   13.784959     1   620   621
622   620  H     -1.775974   -4.235752   13.674365     2   619
623   621  H     -2.294520   -2.860451   13.275413     2   619
624   622  O     -1.547894   -6.050307   13.777432     1   623   624
625   623  H     -2.415895   -6.341544   13.445648     2   622
626   624  H     -0.887405   -6.534962   13.312471     2   622
627   625  O      0.234402   -7.751446   12.304380     1   626   627
628   626  H     -0.279935   -8.404613   12.963316     2   625
629   627  H     -0.182985   -7.976061   11.553958     2   625
630   628  O      2.948945   -7.952067   12.490828     1   629   630
631   629  H      1.995489   -7.860031   12.249373     2   628
632   630  H      3.414412   -7.886074   11.481000     2   628
633   631  O      1.715313    1.574884   -4.362989     1   632   633
634   632  H      1.632781    2.184761   -3.631674     2   631
635   633  H      1.464328    0.743294   -3.845915     2   631
636   634  O      1.459634   -2.988023   -7.994663     1   635   636
637   635  H      1.768266   -2.014107   -7.884069     2   634
638   636  H      2.286812   -3.389408   -7.485117     2   634
639   637  O      1.540186   -0.199552   -7.987136     1   638   639
640   638  H      2.408187    0.091685   -7.655352     2   637
641   639  H      0.879697    0.285103   -7.522175     2   637
642   640  O     -0.242110    1.501587   -6.514084     1   641   642
643   641  H      0.272227    2.154754   -7.173020     2   640
644   642  H      0.175277    1.726202   -5.763662     2   640
645   643  O     -2.956653    1.702208   -6.700532     1   644   645
646   644  H     -2.003197    1.610172   -6.459077     2   643
647   645  H     -3.422120    1.636215   -5.690704     2   643
648   646  O     -1.717335   -1.562754   -7.217605     1   647   648
649   647  H     -1.634803   -2.172631   -7.948920     2   646
650   648  H     -1.466350   -0.731164   -7.734679     2   646
651   649  O     -1.461656    3.000153   -3.585931     1   650   651
652   650  H     -1.770288    2.026237   -3.696525     2   649
653   651  H     -2.288834    3.401538   -4.095477     2   649
654   652  O     -1.542208    0.211682   -3.593458     1   653   654
655   653  H     -2.410209   -0.079555   -3.925242     2   652
656   654  H     -0.881719   -0.272973   -4.058419     2   652
657   655  O      0.240088   -1.489457   -5.066510     1   656   657
658   656  H     -0.274249   -2.142624   -4.407574     2   655
659   657  H     -0.177299   -1.714072   -5.816932     2   655
660   658  O      2.954631   -1.690078   -4.880062     1   659   660
661   659  H      2.001175   -1.598042   -5.121517     2   658
662   660  H      3.420098   -1.624085   -5.889890     2   658
663   661  O      1.717335    1.562754    7.217605     1   662   663
664   662  H      1.634803    2.172631    7.948920     2   661
665   663  H      1.466350    0.731164    7.734679     2   661
666   664  O      1.461656   -3.000153    3.585931     1   665   666
667   665  H      1.770288   -2.026237    3.696525     2   664
668   666  H      2.288834   -3.401538    4.095477     2   664
669   667  O      1.542208   -0.211682    3.593458     1   668   669
670   668  H      2.410209    0.079555    3.925242     2   667
671   669  H      0.881719    0.272973    4.058419     2   667
672   670  O     -0.240088    1.489457    5.066510     1   671   672
673   671  H      0.274249    2.142624    4.407574     2   670
674   672  H      0.177299    1.714072    5.816932     2   670
675   673  O     -2.954631    1.690078    4.880062     1   674   675
676   674  H     -2.001175    1.598042    5.121517     2   673
677   675  H     -3.420098    1.624085    5.889890     2   673
678   676  O     -1.715313   -1.574884    4.362989     1   677   678
679   677  H     -1.632781   -2.184761    3.631674     2   676
680   678  H     -1.464328   -0.743294    3.845915     2   676
681   679  O     -1.459634    2.988023    7.994663     1   680   681
682   680  H     -1.768266    2.014107    7.884069     2   679
683   681  H     -2.286812    3.389408    7.485117     2   679
684   682  O     -1.540186    0.199552    7.987136     1   683   684
685   683  H     -2.408187   -0.091685    7.655352     2   682
686   684  H     -0.879697   -0.285103    7.522175     2   682
687   685  O      0.242110   -1.501587    6.514084     1   686   687
688   686  H     -0.272227   -2.154754    7.173020     2   685
689   687  H     -0.175277   -1.726202    5.763662     2   685
690   688  O      2.956653   -1.702208    6.700532     1   689   690
691   689  H      2.003197   -1.610172    6.459077     2   688
692   690  H      3.422120   -1.636215    5.690704     2   688
693   691  O      1.718345    1.556689   13.007901     1   692   693
694   692  H      1.635813    2.166566   13.739216     2   691
695   693  H      1.467360    0.725099   13.524975     2   691
696   694  O      1.462666   -3.006218    9.376227     1   695   696
697   695  H      1.771298   -2.032302    9.486821     2   694
698   696  H      2.289844   -3.407603    9.885773     2   694
699   697  O      1.543218   -0.217747    9.383754     1   698   699
700   698  H      2.411219    0.073490    9.715538     2   697
701   699  H      0.882729    0.266908    9.848715     2   697
702   700  O     -0.239078    1.483392   10.856806     1   701   702
703   701  H      0.275259    2.136559   10.197870     2   700
704   702  H      0.178309    1.708007   11.607228     2   700
705   703  O     -2.953621    1.684013   10.670358     1   704   705
706   704  H     -2.000165    1.591977   10.911813     2   703
707   705  H     -3.419088    1.618020   11.680186     2   703
708   706  O     -1.714303   -1.580949   10.153285     1   707   708
709   707  H     -1.631771   -2.190826    9.421970     2   706
710   708  H     -1.463318   -0.749359    9.636211     2   706
711   709  O     -1.458624    2.981958   13.784959     1   710   711
712   710  H     -1.767256    2.008042   13.674365     2   709
713   711  H     -2.285802    3.383343   13.275413     2   709
714   712  O     -1.539176    0.193487   13.777432     1   713   714
715   713  H     -2.407177   -0.097750   13.445648     2   712
716   714  H     -0.878687   -0.291168   13.312471     2   712
717   715  O      0.243120   -1.507652   12.304380     1   716   717
718   716  H     -0.271217   -2.160819   12.963316     2   715
719   717  H     -0.174267   -1.732267   11.553958     2   715
720   718  O      2.957663   -1.708273   12.490828     1   719   720
721   719  H      2.004207   -1.616237   12.249373     2   718
722   720  H      3.423130   -1.642280   11.481000     2   718
723   721  O      1.724031    7.818678   -4.362989     1   722   723
724   722  H      1.641499    8.428555   -3.631674     2   721
725   723  H      1.473046    6.987088   -3.845915     2   721
726   724  O      1.468352    3.255771   -7.994663     1   725   726
727   725  H      1.776984    4.229687   -7.884069     2   724
728   726  H      2.295530    2.854386   -7.485117     2   724
729   727  O      1.548904    6.044242   -7.987136     1   728   729
730   728  H      2.416905    6.335479   -7.655352     2   727
731   729  H      0.888415    6.528897   -7.522175     2   727
732   730  O     -0.233392    7.745381   -6.514084     1   731   732
733   731  H      0.280945    8.398548   -7.173020     2   730
734   732  H      0.183995    7.969996   -5.763662     2   730
735   733  O     -2.947935    7.946002   -6.700532     1   734   735
736   734  H     -1.994479    7.853966   -6.459077     2   733
737   735  H     -3.413402    7.880009   -5.690704     2   733
738   736  O     -1.708617    4.681040   -7.217605     1   737   738
739   737  H     -1.626085    4.071163   -7.948920     2   736
740   738  H     -1.457632    5.512630   -7.734679     2   736
741   739  O     -1.452938    9.243947   -3.585931     1   740   741
742   740  H     -1.761570    8.270031   -3.696525     2   739
743   741  H     -2.280116    9.645332   -4.095477     2   739
744   742  O     -1.533490    6.455476   -3.593458     1   743   744
745   743  H     -2.401491    6.164239   -3.925242     2   742
746   744  H     -0.873001    5.970821   -4.058419     2   742
747   745  O      0.248806    4.754337   -5.066510     1   746   747
748   746  H     -0.265531    4.101170   -4.407574     2   745
749   747  H     -0.168581    4.529722   -5.816932     2   745
750   748  O      2.963349    4.553716   -4.880062     1   749   750
751   749  H      2.009893    4.645752   -5.121517     2   748
752   750  H      3.428816    4.619709   -5.889890     2   748
753   751  O      1.725042    7.812613    1.427308     1   752   753
754   752  H      1.642510    8.422490    2.158623     2   751
755   753  H      1.474057    6.981023    1.944382     2   751
756   754  O      1.469363    3.249706   -2.204366     1   755   756
757   755  H      1.777995    4.223622   -2.093772     2   754
758   756  H      2.296541    2.848321   -1.694820     2   754
759   757  O      1.549915    6.038177   -2.196839     1   758   759
760   758  H      2.417916    6.329414   -1.865055     2   757
761   759  H      0.889426    6.522832   -1.731878     2   757
762   760  O     -0.232381    7.739316   -0.723787     1   761   762
763   761  H      0.281956    8.392483   -1.382723     2   760
764   762  H      0.185006    7.963931    0.026635     2   760
765   763  O     -2.946924    7.939937   -0.910235     1   764   765
766   764  H     -1.993468    7.847901   -0.668780     2   763
767   765  H     -3.412391    7.873944    0.099593     2   763
768   766  O     -1.707606    4.674975   -1.427308     1   767   768
769   767  H     -1.625074    4.065098   -2.158623     2   766
770   768  H     -1.456621    5.506565   -1.944382     2   766
771   769  O     -1.451927    9.237882    2.204366     1   770   771
772   770  H     -1.760559    8.263966    2.093772     2   769
773   771  H     -2.279105    9.639267    1.694820     2   769
774   772  O     -1.532479    6.449411    2.196839     1   773   774
775   773  H     -2.400480    6.158174    1.865055     2   772
776   774  H     -0.871990    5.964756    1.731878     2   772
777   775  O      0.249817    4.748272    0.723787     1   776   777
778   776  H     -0.264520    4.095105    1.382723     2   775
779   777  H     -0.167570    4.523657   -0.026635     2   775
780   778  O      2.964360    4.547651    0.910235     1   779   780
781   779  H      2.010904    4.639687    0.668780     2   778
782   780  H      3.429827    4.613644   -0.099593     2   778
783   781  O      1.726053    7.806548    7.217605     1   782   783
784   782  H      1.643521    8.416425    7.948920     2   781
785   783  H      1.475068    6.974958    7.734679     2   781
786   784  O      1.470374    3.243641    3.585931     1   785   786
787   785  H      1.779006    4.217557    3.696525     2   784
788   786  H      2.297552    2.842256    4.095477     2   784
789   787  O      1.550926    6.032112    3.593458     1   788   789
790   788  H      2.418927    6.323349    3.925242     2   787
791   789  H      0.890437    6.516767    4.058419     2   787
792   790  O     -0.231370    7.733251    5.066510     1   791   792
793   791  H      0.282967    8.386418    4.407574     2   790
794   792  H      0.186017    7.957866    5.816932     2   790
795   793  O     -2.945913    7.933872    4.880062     1   794   795
796   794  H     -1.992457    7.841836    5.121517     2   793
797   795  H     -3.411380    7.867879    5.889890     2   793
798   796  O     -1.706595    4.668910    4.362989     1   797   798
799   797  H     -1.624063    4.059033    3.631674     2   796
800   798  H     -1.455610    5.500500    3.845915     2   796
801   799  O     -1.450916    9.231817    7.994663     1   800   801
802   800  H     -1.759548    8.257901    7.884069     2   799
803   801  H     -2.278094    9.633202    7.485117     2   799
804   802  O     -1.531468    6.443346    7.987136     1   803   804
805   803  H     -2.399469    6.152109    7.655352     2   802
806   804  H     -0.870979    5.958691    7.522175     2   802
807   805  O      0.250828    4.742207    6.514084     1   806   807
808   806  H     -0.263509    4.089040    7.173020     2   805
809   807  H     -0.166559    4.517592    5.763662     2   805
810   808  O      2.965371    4.541586    6.700532     1   809   810
811   809  H      2.011915    4.633622    6.459077     2   808
812   810  H      3.430838    4.607579    5.690704     2   808
813   811  O      1.727063    7.800483   13.007901     1   812   813
814   812  H      1.644531    8.410360   13.739216     2   811
815   813  H      1.476078    6.968893   13.524975     2   811
816   814  O      1.471384    3.237576    9.376227     1   815   816
817   815  H      1.780016    4.211492    9.486821     2   814
818   816  H      2.298562    2.836191    9.885773     2   814
819   817  O      1.551936    6.026047    9.383754     1   818   819
820   818  H      2.419937    6.317284    9.715538     2   817
821   819  H      0.891447    6.510702    9.848715     2   817
822   820  O     -0.230360    7.727186   10.856806     1   821   822
823   821  H      0.283977    8.380353   10.197870     2   820
824   822  H      0.187027    7.951801   11.607228     2   820
825   823  O     -2.944903    7.927807   10.670358     1   824   825
826   824  H     -1.991447    7.835771   10.911813     2   823
827   825  H     -3.410370    7.861814   11.680186     2   823
828   826  O     -1.705585    4.662845   10.153285     1   827   828
829   827  H     -1.623053    4.052968    9.421970     2   826
830   828  H     -1.454600    5.494435    9.636211     2   826
831   829  O     -1.449906    9.225752   13.784959     1   830   831
832   830  H     -1.758538    8.251836   13.674365     2   829
833   831  H     -2.277084    9.627137   13.275413     2   829
834   832  O     -1.530458    6.437281   13.777432     1   833   834
835   833  H     -2.398459    6.146044   13.445648     2   832
836   834  H     -0.869969    5.952626   13.312471     2   832
837   835  O      0.251838    4.736142   12.304380     1   836   837
838   836  H     -0.262499    4.082975   12.963316     2   835
839   837  H     -0.165549    4.511527   11.553958     2   835
840   838  O      2.966381    4.535521   12.490828     1   839   840
841   839  H      2.012925    4.627557   12.249373     2   838
842   840  H      3.431848    4.601514   11.481000     2   838
843   841  O      1.732749   14.062472   -4.362989     1   842   843
844   842  H      1.650217   14.672349   -3.631674     2   841
845   843  H      1.481764   13.230882   -3.845915     2   841
846   844  O      1.477070    9.499565   -7.994663     1   845   846
847   845  H      1.785702   10.473481   -7.884069     2   844
848   846  H      2.304248    9.098180   -7.485117     2   844
849   847  O      1.557622   12.288036   -7.987136     1   848   849
850   848  H      2.425623   12.579273   -7.655352     2   847
851   849  H      0.897133   12.772691   -7.522175     2   847
852   850  O     -0.224674   13.989175   -6.514084     1   851   852
853   851  H      0.289663   14.642342   -7.173020     2   850
854   852  H      0.192713   14.213790   -5.763662     2   850
855   853  O     -2.939217   14.189796   -6.700532     1   854   855
856   854  H     -1.985761   14.097760   -6.459077     2   853
857   855  H     -3.404684   14.123803   -5.690704     2   853
858   856  O     -1.699899   10.924834   -7.217605     1   857   858
859   857  H     -1.617367   10.314957   -7.948920     2   856
860   858  H     -1.448914   11.756424   -7.734679     2   856
861   859  O     -1.444220   15.487741   -3.585931     1   860   861
862   860  H     -1.752852   14.513825   -3.696525     2   859
863   861  H     -2.271398   15.889126   -4.095477     2   859
864   862  O     -1.524772   12.699270   -3.593458     1   863   864
865   863  H     -2.392773   12.408033   -3.925242     2   862
866   864  H     -0.864283   12.214615   -4.058419     2   862
867   865  O      0.257524   10.998131   -5.066510     1   866   867
868   866  H     -0.256813   10.344964   -4.407574     2   865
869   867  H     -0.159863   10.773516   -5.816932     2   865
870   868  O      2.972067   10.797510   -4.880062     1   869   870
871   869  H      2.018611   10.889546   -5.121517     2   868
872   870  H      3.437534   10.863503   -5.889890     2   868
873   871  O      1.733760   14.056407    1.427308     1   872   873
874   872  H      1.651228   14.666284    2.158623     2   871
875   873  H      1.482775   13.224817    1.944382     2   871
876   874  O      1.478081    9.493500   -2.204366     1   875   876
877   875  H      1.786713   10.467416   -2.093772     2   874
878   876  H      2.305259    9.092115   -1.694820     2   874
879   877  O      1.558633   12.281971   -2.196839     1   878   879
880   878  H      2.426634   12.573208   -1.865055     2   877
881   879  H      0.898144   12.766626   -1.731878     2   877
882   880  O     -0.223663   13.983110   -0.723787     1   881   882
883   881  H      0.290674   14.636277   -1.382723     2   880
884   882  H      0.193724   14.207725    0.026635     2   880
885   883  O     -2.938206   14.183731   -0.910235     1   884   885
886   884  H     -1.984750   14.091695   -0.668780     2   883
887   885  H     -3.403673   14.117738    0.099593     2   883
888   886  O     -1.698888   10.918769   -1.427308     1   887   888
889   887  H     -1.616356   10.308892   -2.158623     2   886
890   888  H     -1.447903   11.750359   -1.944382     2   886
891   889  O     -1.443209   15.481676    2.204366     1   890   891
892   890  H     -1.751841   14.507760    2.093772     2   889
893   891  H     -2.270387   15.883061    1.694820     2   889
894   892  O     -1.523761   12.693205    2.196839     1   893   894
895   893  H     -2.391762   12.401968    1.865055     2   892
896   894  H     -0.863272   12.208550    1.731878     2   892
897   895  O      0.258535   10.992066    0.723787     1   896   897
898   896  H     -0.255802   10.338899    1.382723     2   895
899   897  H     -0.158852   10.767451   -0.026635     2   895
900   898  O      2.973078   10.791445    0.910235     1   899   900
901   899  H      2.019622   10.883481    0.668780     2   898
902   900  H      3.438545   10.857438   -0.099593     2   898
903   901  O      1.734771   14.050342    7.217605     1   902   903
904   902  H      1.652239   14.660219    7.948920     2   901
905   903  H      1.483786   13.218752    7.734679     2   901
906   904  O      1.479092    9.487435    3.585931     1   905   906
907   905  H      1.787724   10.461351    3.696525     2   904
908   906  H      2.306270    9.086050    4.095477     2   904
909   907  O      1.559644   12.275906    3.593458     1   908   909
910   908  H      2.427645   12.567143    3.925242     2   907
911   909  H      0.899155   12.760561    4.058419     2   907
912   910  O     -0.222652   13.977045    5.066510     1   911   912
913   911  H      0.291685   14.630212    4.407574     2   910
914   912  H      0.194735   14.201660    5.816932     2   910
915   913  O     -2.937195   14.177666    4.880062     1   914   915
916   914  H     -1.983739   14.085630    5.121517     2   913
917   915  H     -3.402662   14.111673    5.889890     2   913
918   916  O     -1.697877   10.912704    4.362989     1   917   918
919   917  H     -1.615345   10.302827    3.631674     2   916
920   918  H     -1.446892   11.744294    3.845915     2   916
921   919  O     -1.442198   15.475611    7.994663     1   920   921
922   920  H     -1.750830   14.501695    7.884069     2   919
923   921  H     -2.269376   15.876996    7.485117     2   919
924   922  O     -1.522750   12.687140    7.987136     1   923   924
925   923  H     -2.390751   12.395903    7.655352     2   922
926   924  H     -0.862261   12.202485    7.522175     2   922
927   925  O      0.259546   10.986001    6.514084     1   926   927
928   926  H     -0.254791   10.332834    7.173020     2   925
929   927  H     -0.157841   10.761386    5.763662     2   925
930   928  O      2.974089   10.785380    6.700532     1   929   930
931   929  H      2.020633   10.877416    6.459077     2   928
932   930  H      3.439556   10.851373    5.690704     2   928
933   931  O      1.735781   14.044277   13.007901     1   932   933
934   932  H      1.653249   14.654154   13.739216     2   931
935   933  H      1.484796   13.212687   13.524975     2   931
936   934  O      1.480102    9.481370    9.376227     1   935   936
937   935  H      1.788734   10.455286    9.486821     2   934
938   936  H      2.307280    9.079985    9.885773     2   934
939   937  O      1.560654   12.269841    9.383754     1   938   939
940   938  H      2.428655   12.561078    9.715538     2   937
941   939  H      0.900165   12.754496    9.848715     2   937
942   940  O     -0.221642   13.970980   10.856806     1   941   942
943   941  H      0.292695   14.624147   10.197870     2   940
944   942  H      0.195745   14.195595   11.607228     2   940
945   943  O     -2.936185   14.171601   10.670358     1   944   945
946   944  H     -1.982729   14.079565   10.911813     2   943
947   945  H     -3.401652   14.105608   11.680186     2   943
948   946  O     -1.696867   10.906639   10.153285     1   947   948
949   947  H     -1.614335   10.296762    9.421970     2   946
950   948  H     -1.445882   11.738229    9.636211     2   946
951   949  O     -1.441188   15.469546   13.784959     1   950   951
952   950  H     -1.749820   14.495630   13.674365     2   949
953   951  H     -2.268366   15.870931   13.275413     2   949
954   952  O     -1.521740   12.681075   13.777432     1   953   954
955   953  H     -2.389741   12.389838   13.445648     2   952
956   954  H     -0.861251   12.196420   13.312471     2   952
957   955  O      0.260556   10.979936   12.304380     1   956   957
958   956  H     -0.253781   10.326769   12.963316     2   955
959   957  H     -0.156831   10.755321   11.553958     2   955
960   958  O      2.975099   10.779315   12.490828     1   959   960
961   959  H      2.021643   10.871351   12.249373     2   958
962   960  H      3.440566   10.845308   11.481000     2   958
963   961  O      7.938895   -4.668910   -4.362989     1   962   963
964   962  H      7.856363   -4.059033   -3.631674     2   961
965   963  H      7.687910   -5.500500   -3.845915     2   961
966   964  O      7.683216   -9.231817   -7.994663     1   965   966
967   965  H      7.991848   -8.257901   -7.884069     2   964
968   966  H      8.510394   -9.633202   -7.485117     2   964
969   967  O      7.763768   -6.443346   -7.987136     1   968   969
970   968  H      8.631769   -6.152109   -7.655352     2   967
971   969  H      7.103279   -5.958691   -7.522175     2   967
972   970  O      5.981472   -4.742207   -6.514084     1   971   972
973   971  H      6.495809   -4.089040   -7.173020     2   970
974   972  H      6.398859   -4.517592   -5.763662     2   970
975   973  O      3.266929   -4.541586   -6.700532     1   974   975
976   974  H      4.220385   -4.633622   -6.459077     2   973
977   975  H      2.801462   -4.607579   -5.690704     2   973
978   976  O      4.506247   -7.806548   -7.217605     1   977   978
979   977  H      4.588779   -8.416425   -7.948920     2   976
980   978  H      4.757232   -6.974958   -7.734679     2   976
981   979  O      4.761926   -3.243641   -3.585931     1   980   981
982   980  H      4.453294   -4.217557   -3.696525     2   979
983   981  H      3.934748   -2.842256   -4.095477     2   979
984   982  O      4.681374   -6.032112   -3.593458     1   983   984
985   983  H      3.813373   -6.323349   -3.925242     2   982
986   984  H      5.341863   -6.516767   -4.058419     2   982
987   985  O      6.463670   -7.733251   -5.066510     1   986   987
988   986  H      5.949333   -8.386418   -4.407574     2   985
989   987  H      6.046283   -7.957866   -5.816932     2   985
990   988  O      9.178213   -7.933872   -4.880062     1   989   990
991   989  H      8.224757   -7.841836   -5.121517     2   988
992   990  H      9.643680   -7.867879   -5.889890     2   988
993   991  O      7.939906   -4.674975    1.427308     1   992   993
994   992  H      7.857374   -4.065098    2.158623     2   991
995   993  H      7.688921   -5.506565    1.944382     2   991
996   994  O      7.684227   -9.237882   -2.204366     1   995   996
997   995  H      7.992859   -8.263966   -2.093772     2   994
998   996  H      8.511405   -9.639267   -1.694820     2   994
999   997  O      7.764779   -6.449411   -2.196839     1   998   999
1000   998  H      8.632780   -6.158174   -1.865055     2   997
1001   999  H      7.104290   -5.964756   -1.731878     2   997
1002  1000  O      5.982483   -4.748272   -0.723787     1  1001  1002
1003  1001  H      6.496820   -4.095105   -1.382723     2  1000
1004  1002  H      6.399870   -4.523657    0.026635     2  1000
1005  1003  O      3.267940   -4.547651   -0.910235     1  1004  1005
1006  1004  H      4.221396   -4.639687   -0.668780     2  1003
1007  1005  H      2.802473   -4.613644    0.099593     2  1003
1008  1006  O      4.507258   -7.812613   -1.427308     1  1007  1008
1009  1007  H      4.589790   -8.422490   -2.158623     2  1006
1010  1008  H      4.758243   -6.981023   -1.944382     2  1006
1011  1009  O      4.762937   -3.249706    2.204366     1  1010  1011
1012  1010  H      4.454305   -4.223622    2.093772     2  1009
1013  1011  H      3.935759   -2.848321    1.694820     2  1009
1014  1012  O      4.682385   -6.038177    2.196839     1  1013  1014
1015  1013  H      3.814384   -6.329414    1.865055     2  1012
1016  1014  H      5.342874   -6.522832    1.731878     2  1012
1017  1015  O      6.464681   -7.739316    0.723787     1  1016  1017
1018  1016  H      5.950344   -8.392483    1.382723     2  1015
1019  1017  H      6.047294   -7.963931   -0.026635     2  1015
1020  1018  O      9.179224   -7.939937    0.910235     1  1019  1020
1021  1019  H      8.225768   -7.847901    0.668780     2  1018
1022  1020  H      9.644691   -7.873944   -0.099593     2  1018
1023  1021  O      7.940917   -4.681040    7.217605     1  1022  1023
1024  1022  H      7.858385   -4.071163    7.948920     2  1021
1025  1023  H      7.689932   -5.512630    7.734679     2  1021
1026  1024  O      7.685238   -9.243947    3.585931     1  1025  1026
1027  1025  H      7.993870   -8.270031    3.696525     2  1024
1028  1026  H      8.512416   -9.645332    4.095477     2  1024
1029  1027  O      7.765790   -6.455476    3.593458     1  1028  1029
1030  1028  H      8.633791   -6.164239    3.925242     2  1027
1031  1029  H      7.105301   -5.970821    4.058419     2  1027
1032  1030  O      5.983494   -4.754337    5.066510     1  1031  1032
1033  1031  H      6.497831   -4.101170    4.407574     2  1030
1034  1032  H      6.400881   -4.529722    5.816932     2  1030
1035  1033  O      3.268951   -4.553716    4.880062     1  1034  1035
1036  1034  H      4.222407   -4.645752    5.121517     2  1033
1037  1035  H      2.803484   -4.619709    5.889890     2  1033
1038  1036  O      4.508269   -7.818678    4.362989     1  1037  1038
1039  1037  H      4.590801   -8.428555    3.631674     2  1036
1040  1038  H      4.759254   -6.987088    3.845915     2  1036
1041  1039  O      4.763948   -3.255771    7.994663     1  1040  1041
1042  1040  H      4.455316   -4.229687    7.884069     2  1039
1043  1041  H      3.936770   -2.854386    7.485117     2  1039
1044  1042  O      4.683396   -6.044242    7.987136     1  1043  1044
1045  1043  H      3.815395   -6.335479    7.655352     2  1042
1046  1044  H      5.343885   -6.528897    7.522175     2  1042
1047  1045  O      6.465692   -7.745381    6.514084     1  1046  1047
1048  1046  H      5.951355   -8.398548    7.173020     2  1045
1049  1047  H      6.048305   -7.969996    5.763662     2  1045
1050  1048  O      9.180235   -7.946002    6.700532     1  1049  1050
1051  1049  H      8.226779   -7.853966    6.459077     2  1048
1052  1050  H      9.645702   -7.880009    5.690704     2  1048
1053  1051  O      7.941927   -4.687105   13.007901     1  1052  1053
1054  1052  H      7.859395   -4.077228   13.739216     2  1051
1055  1053  H      7.690942   -5.518695   13.524975     2  1051
1056  1054  O      7.686248   -9.250012    9.376227     1  1055  1056
1057  1055  H      7.994880   -8.276096    9.486821     2  1054
1058  1056  H      8.513426   -9.651397    9.885773     2  1054
1059  1057  O      7.766800   -6.461541    9.383754     1  1058  1059
1060  1058  H      8.634801   -6.170304    9.715538     2  1057
1061  1059  H      7.106311   -5.976886    9.848715     2  1057
1062  1060  O      5.984504   -4.760402   10.856806     1  1061  1062
1063  1061  H      6.498841   -4.107235   10.197870     2  1060
1064  1062  H      6.401891   -4.535787   11.607228     2  1060
1065  1063  O      3.269961   -4.559781   10.670358     1  1064  1065
1066  1064  H      4.223417   -4.651817   10.911813     2  1063
1067  1065  H      2.804494   -4.625774   11.680186     2  1063
1068  1066  O      4.509279   -7.824743   10.153285     1  1067  1068
1069  1067  H      4.591811   -8.434620    9.421970     2  1066
1070  1068  H      4.760264   -6.993153    9.636211     2  1066
1071  1069  O      4.764958   -3.261836   13.784959     1  1070  1071
1072  1070  H      4.456326   -4.235752   13.674365     2  1069
1073  1071  H      3.937780   -2.860451   13.275413     2  1069
1074  1072  O      4.684406   -6.050307   13.777432     1  1073  1074
1075  1073  H      3.816405   -6.341544   13.445648     2  1072
1076  1074  H      5.344895   -6.534962   13.312471     2  1072
1077  1075  O      6.466702   -7.751446   12.304380     1  1076  1077
1078  1076  H      5.952365   -8.404613   12.963316     2  1075
1079  1077  H      6.049315   -7.976061   11.553958     2  1075
1080  1078  O      9.181245   -7.952067   12.490828     1  1079  1080
1081  1079  H      8.227789   -7.860031   12.249373     2  1078
1082  1080  H      9.646712   -7.886074   11.481000     2  1078
1083  1081  O      7.947613    1.574884   -4.362989     1  1082  1083
1084  1082  H      7.865081    2.184761   -3.631674     2  1081
1085  1083  H      7.696628    0.743294   -3.845915     2  1081
1086  1084  O      7.691934   -2.988023   -7.994663     1  1085  1086
1087  1085  H      8.000566   -2.014107   -7.884069     2  1084
1088  1086  H      8.519112   -3.389408   -7.485117     2  1084
1089  1087  O      7.772486   -0.199552   -7.987136     1  1088  1089
1090  1088  H      8.640487    0.091685   -7.655352     2  1087
1091  1089  H      7.111997    0.285103   -7.522175     2  1087
1092  1090  O      5.990190    1.501587   -6.514084     1  1091  1092
1093  1091  H      6.504527    2.154754   -7.173020     2  1090
1094  1092  H      6.407577    1.726202   -5.763662     2  1090
1095  1093  O      3.275647    1.702208   -6.700532     1  1094  1095
1096  1094  H      4.229103    1.610172   -6.459077     2  1093
1097  1095  H      2.810180    1.636215   -5.690704     2  1093
1098  1096  O      4.514965   -1.562754   -7.217605     1  1097  1098
1099  1097  H      4.597497   -2.172631   -7.948920     2  1096
1100  1098  H      4.765950   -0.731164   -7.734679     2  1096
1101  1099  O      4.770644    3.000153   -3.585931     1  1100  1101
1102  1100  H      4.462012    2.026237   -3.696525     2  1099
1103  1101  H      3.943466    3.401538   -4.095477     2  1099
1104  1102  O      4.690092    0.211682   -3.593458     1  1103  1104
1105  1103  H      3.822091   -0.079555   -3.925242     2  1102
1106  1104  H      5.350581   -0.272973   -4.058419     2  1102
1107  1105  O      6.472388   -1.489457   -5.066510     1  1106  1107
1108  1106  H      5.958051   -2.142624   -4.407574     2  1105
1109  1107  H      6.055001   -1.714072   -5.816932     2  1105
1110  1108  O      9.186931   -1.690078   -4.880062     1  1109  1110
1111  1109  H      8.233475   -1.598042   -5.121517     2  1108
1112  1110  H      9.652398   -1.624085   -5.889890     2  1108
1113  1111  O      7.948624    1.568819    1.427308     1  1112  1113
1114  1112  H      7.866092    2.178696    2.158623     2  1111
1115  1113  H      7.697639    0.737229    1.944382     2  1111
1116  1114  O      7.692945   -2.994088   -2.204366     1  1115  1116
1117  1115  H      8.001577   -2.020172   -2.093772     2  1114
1118  1116  H      8.520123   -3.395473   -1.694820     2  1114
1119  1117  O      7.773497   -0.205617   -2.196839     1  1118  1119
1120  1118  H      8.641498    0.085620   -1.865055     2  1117
1121  1119  H      7.113008    0.279038   -1.731878     2  1117
1122  1120  O      5.991201    1.495522   -0.723787     1  1121  1122
1123  1121  H      6.505538    2.148689   -1.382723     2  1120
1124  1122  H      6.408588    1.720137    0.026635     2  1120
1125  1123  O      3.276658    1.696143   -0.910235     1  1124  1125
1126  1124  H      4.230114    1.604107   -0.668780     2  1123
1127  1125  H      2.811191    1.630150    0.099593     2  1123
1128  1126  O      4.515976   -1.568819   -1.427308     1  1127  1128
1129  1127  H      4.598508   -2.178696   -2.158623     2  1126
1130  1128  H      4.766961   -0.737229   -1.944382     2  1126
1131  1129  O      4.771655    2.994088    2.204366     1  1130  1131
1132  1130  H      4.463023    2.020172    2.093772     2  1129
1133  1131  H      3.944477    3.395473    1.694820     2  1129
1134  1132  O      4.691103    0.205617    2.196839     1  1133  1134
1135  1133  H      3.823102   -0.085620    1.865055     2  1132
1136  1134  H      5.351592   -0.279038    1.731878     2  1132
1137  1135  O      6.473399   -1.495522    0.723787     1  1136  1137
1138  1136  H      5.959062   -2.148689    1.382723     2  1135
1139  1137  H      6.056012   -1.720137   -0.026635     2  1135
1140  1138  O      9.187942   -1.696143    0.910235     1  1139  1140
1141  1139  H      8.234486   -1.604107    0.668780     2  1138
1142  1140  H      9.653409   -1.630150   -0.099593     2  1138
1143  1141  O      7.949635    1.562754    7.217605     1  1142  1143
1144  1142  H      7.867103    2.172631    7.948920     2  1141
1145  1143  H      7.698650    0.731164    7.734679     2  1141
1146  1144  O      7.693956   -3.000153    3.585931     1  1145  1146
1147  1145  H      8.002588   -2.026237    3.696525     2  1144
1148  1146  H      8.521134   -3.401538    4.095477     2  1144
1149  1147  O      7.774508   -0.211682    3.593458     1  1148  1149
1150  1148  H      8.642509    0.079555    3.925242     2  1147
1151  1149  H      7.114019    0.272973    4.058419     2  1147
1152  1150  O      5.992212    1.489457    5.066510     1  1151  1152
1153  1151  H      6.506549    2.142624    4.407574     2  1150
1154  1152  H      6.409599    1.714072    5.816932     2  1150
1155  1153  O      3.277669    1.690078    4.880062     1  1154  1155
1156  1154  H      4.231125    1.598042    5.121517     2  1153
1157  1155  H      2.812202    1.624085    5.889890     2  1153
1158  1156  O      4.516987   -1.574884    4.362989     1  1157  1158
1159  1157  H      4.599519   -2.184761    3.631674     2  1156
1160  1158  H      4.767972   -0.743294    3.845915     2  1156
1161  1159  O      4.772666    2.988023    7.994663     1  1160  1161
1162  1160  H      4.464034    2.014107    7.884069     2  1159
1163  1161  H      3.945488    3.389408    7.485117     2  1159
1164  1162  O      4.692114    0.199552    7.987136     1  1163  1164
1165  1163  H      3.824113   -0.091685    7.655352     2  1162
1166  1164  H      5.352603   -0.285103    7.522175     2  1162
1167  1165  O      6.474410   -1.501587    6.514084     1  1166  1167
1168  1166  H      5.960073   -2.154754    7.173020     2  1165
1169  1167  H      6.057023   -1.726202    5.763662     2  1165
1170  1168  O      9.188953   -1.702208    6.700532     1  1169  1170
1171  1169  H      8.235497   -1.610172    6.459077     2  1168
1172  1170  H      9.654420   -1.636215    5.690704     2  1168
1173  1171  O      7.950645    1.556689   13.007901     1  1172  1173
1174  1172  H      7.868113    2.166566   13.739216     2  1171
1175  1173  H      7.699660    0.725099   13.524975     2  1171
1176  1174  O      7.694966   -3.006218    9.376227     1  1175  1176
1177  1175  H      8.003598   -2.032302    9.486821     2  1174
1178  1176  H      8.522144   -3.407603    9.885773     2  1174
1179  1177  O      7.775518   -0.217747    9.383754     1  1178  1179
1180  1178  H      8.643519    0.073490    9.715538     2  1177
1181  1179  H      7.115029    0.266908    9.848715     2  1177
1182  1180  O      5.993222    1.483392   10.856806     1  1181  1182
1183  1181  H      6.507559    2.136559   10.197870     2  1180
1184  1182  H      6.410609    1.708007   11.607228     2  1180
1185  1183  O      3.278679    1.684013   10.670358     1  1184  1185
1186  1184  H      4.232135    1.591977   10.911813     2  1183
1187  1185  H      2.813212    1.618020   11.680186     2  1183
1188  1186  O      4.517997   -1.580949   10.153285     1  1187  1188
1189  1187  H      4.600529   -2.190826    9.421970     2  1186
1190  1188  H      4.768982   -0.749359    9.636211     2  1186
1191  1189  O      4.773676    2.981958   13.784959     1  1190  1191
1192  1190  H      4.465044    2.008042   13.674365     2  1189
1193  1191  H      3.946498    3.383343   13.275413     2  1189
1194  1192  O      4.693124    0.193487   13.777432     1  1193  1194
1195  1193  H      3.825123   -0.097750   13.445648     2  1192
1196  1194  H      5.353613   -0.291168   13.312471     2  1192
1197  1195  O      6.475420   -1.507652   12.304380     1  1196  1197
1198  1196  H      5.961083   -2.160819   12.963316     2  1195
1199  1197  H      6.058033   -1.732267   11.553958     2  1195
1200  1198  O      9.189963   -1.708273   12.490828     1  1199  1200
1201  1199  H      8.236507   -1.616237   12.249373     2  1198
1202  1200  H      9.655430   -1.642280   11.481000     2  1198
1203  1201  O      7.956331    7.818678   -4.362989     1  1202  1203
1204  1202  H      7.873799    8.428555   -3.631674     2  1201
1205  1203  H      7.705346    6.987088   -3.845915     2  1201
1206  1204  O      7.700652    3.255771   -7.994663     1  1205  1206
1207  1205  H      8.009284    4.229687   -7.884069     2  1204
1208  1206  H      8.527830    2.854386   -7.485117     2  1204
1209  1207  O      7.781204    6.044242   -7.987136     1  1208  1209
1210  1208  H      8.649205    6.335479   -7.655352     2  1207
1211  1209  H      7.120715    6.528897   -7.522175     2  1207
1212  1210  O      5.998908    7.745381   -6.514084     1  1211  1212
1213  1211  H      6.513245    8.398548   -7.173020     2  1210
1214  1212  H      6.416295    7.969996   -5.763662     2  1210
1215  1213  O      3.284365    7.946002   -6.700532     1  1214  1215
1216  1214  H      4.237821    7.853966   -6.459077     2  1213
1217  1215  H      2.818898    7.880009   -5.690704     2  1213
1218  1216  O      4.523683    4.681040   -7.217605     1  1217  1218
1219  1217  H      4.606215    4.071163   -7.948920     2  1216
1220  1218  H      4.774668    5.512630   -7.734679     2  1216
1221  1219  O      4.779362    9.243947   -3.585931     1  1220  1221
1222  1220  H      4.470730    8.270031   -3.696525     2  1219
1223  1221  H      3.952184    9.645332   -4.095477     2  1219
1224  1222  O      4.698810    6.455476   -3.593458     1  1223  1224
1225  1223  H      3.830809    6.164239   -3.925242     2  1222
1226  1224  H      5.359299    5.970821   -4.058419     2  1222
1227  1225  O      6.481106    4.754337   -5.066510     1  1226  1227
1228  1226  H      5.966769    4.101170   -4.407574     2  1225
1229  1227  H      6.063719    4.529722   -5.816932     2  1225
1230  1228  O      9.195649    4.553716   -4.880062     1  1229  1230
1231  1229  H      8.242193    4.645752   -5.121517     2  1228
1232  1230  H      9.661116    4.619709   -5.889890     2  1228
1233  1231  O      7.957342    7.812613    1.427308     1  1232  1233
1234  1232  H      7.874810    8.422490    2.158623     2  1231
1235  1233  H      7.706357    6.981023    1.944382     2  1231
1236  1234  O      7.701663    3.249706   -2.204366     1  1235  1236
1237  1235  H      8.010295    4.223622   -2.093772     2  1234
1238  1236  H      8.528841    2.848321   -1.694820     2  1234
1239  1237  O      7.782215    6.038177   -2.196839     1  1238  1239
1240  1238  H      8.650216    6.329414   -1.865055     2  1237
1241  1239  H      7.121726    6.522832   -1.731878     2  1237
1242  1240  O      5.999919    7.739316   -0.723787     1  1241  1242
1243  1241  H      6.514256    8.392483   -1.382723     2  1240
1244  1242  H      6.417306    7.963931    0.026635     2  1240
1245  1243  O      3.285376    7.939937   -0.910235     1  1244  1245
1246  1244  H      4.238832    7.847901   -0.668780     2  1243
1247  1245  H      2.819909    7.873944    0.099593     2  1243
1248  1246  O      4.524694    4.674975   -1.427308     1  1247  1248
1249  1247  H      4.607226    4.065098   -2.158623     2  1246
1250  1248  H      4.775679    5.506565   -1.944382     2  1246
1251  1249  O      4.780373    9.237882    2.204366     1  1250  1251
1252  1250  H      4.471741    8.263966    2.093772     2  1249
1253  1251  H      3.953195    9.639267    1.694820     2  1249
1254  1252  O      4.699821    6.449411    2.196839     1  1253  1254
1255  1253  H      3.831820    6.158174    1.865055     2  1252
1256  1254  H      5.360310    5.964756    1.731878     2  1252
1257  1255  O      6.482117    4.748272    0.723787     1  1256  1257
1258  1256  H      5.967780    4.095105    1.382723     2  1255
1259  1257  H      6.064730    4.523657   -0.026635     2  1255
1260  1258  O      9.196660    4.547651    0.910235     1  1259  1260
1261  1259  H      8.243204    4.639687    0.668780     2  1258
1262  1260  H      9.662127    4.613644   -0.099593     2  1258
1263  1261  O      7.958353    7.806548    7.217605     1  1262  1263
1264  1262  H      7.875821    8.416425    7.948920     2  1261
1265  1263  H      7.707368    6.974958    7.734679     2  1261
1266  1264  O      7.702674    3.243641    3.585931     1  1265  1266
1267  1265  H      8.011306    4.217557    3.696525     2  1264
1268  1266  H      8.529852    2.842256    4.095477     2  1264
1269  1267  O      7.783226    6.032112    3.593458     1  1268  1269
1270  1268  H      8.651227    6.323349    3.925242     2  1267
1271  1269  H      7.122737    6.516767    4.058419     2  1267
1272  1270  O      6.000930    7.733251    5.066510     1  1271  1272
1273  1271  H      6.515267    8.386418    4.407574     2  1270
1274  1272  H      6.418317    7.957866    5.816932     2  1270
1275  1273  O      3.286387    7.933872    4.880062     1  1274  1275
1276  1274  H      4.239843    7.841836    5.121517     2  1273
1277  1275  H      2.820920    7.867879    5.889890     2  1273
1278  1276  O      4.525705    4.668910    4.362989     1  1277  1278
1279  1277  H      4.608237    4.059033    3.631674     2  1276
1280  1278  H      4.776690    5.500500    3.845915     2  1276
1281  1279  O      4.781384    9.231817    7.994663     1  1280  1281
1282  1280  H      4.472752    8.257901    7.884069     2  1279
1283  1281  H      3.954206    9.633202    7.485117     2  1279
1284  1282  O      4.700832    6.443346    7.987136     1  1283  1284
1285  1283  H      3.832831    6.152109    7.655352     2  1282
1286  1284  H      5.361321    5.958691    7.522175     2  1282
1287  1285  O      6.483128    4.742207    6.514084     1  1286  1287
1288  1286  H      5.968791    4.089040    7.173020     2  1285
1289  1287  H      6.065741    4.517592    5.763662     2  1285
1290  1288  O      9.197671    4.541586    6.700532     1  1289  1290
1291  1289  H      8.244215    4.633622    6.459077     2  1288
1292  1290  H      9.663138    4.607579    5.690704     2  1288
1293  1291  O      7.959363    7.800483   13.007901     1  1292  1293
1294  1292  H      7.876831    8.410360   13.739216     2  1291
1295  1293  H      7.708378    6.968893   13.524975     2  1291
1296  1294  O      7.703684    3.237576    9.376227     1  1295  1296
1297  1295  H      8.012316    4.211492    9.486821     2  1294
1298  1296  H      8.530862    2.836191    9.885773     2  1294
1299  1297  O      7.784236    6.026047    9.383754     1  1298  1299
1300  1298  H      8.652237    6.317284    9.715538     2  1297
1301  1299  H      7.123747    6.510702    9.848715     2  1297
1302  1300  O      6.001940    7.727186   10.856806     1  1301  1302
1303  1301  H      6.516277    8.380353   10.197870     2  1300
1304  1302  H      6.419327    7.951801   11.607228     2  1300
1305  1303  O      3.287397    7.927807   10.670358     1  1304  1305
1306  1304  H      4.240853    7.835771   10.911813     2  1303
1307  1305  H      2.821930    7.861814   11.680186     2  1303
1308  1306  O      4.526715    4.662845   10.153285     1  1307  1308
1309  1307  H      4.609247    4.052968    9.421970     2  1306
1310  1308  H      4.777700    5.494435    9.636211     2  1306
1311  1309  O      4.782394    9.225752   13.784959     1  1310  1311
1312  1310  H      4.473762    8.251836   13.674365     2  1309
1313  1311  H      3.955216    9.627137   13.275413     2  1309
1314  1312  O      4.701842    6.437281   13.777432     1  1313  1314
1315  1313  H      3.833841    6.146044   13.445648     2  1312
1316  1314  H      5.362331    5.952626   13.312471     2  1312
1317  1315  O      6.484138    4.736142   12.304380     1  1316  1317
1318  1316  H      5.969801    4.082975   12.963316     2  1315
1319  1317  H      6.066751    4.511527   11.553958     2  1315
1320  1318  O      9.198681    4.535521   12.490828     1  1319  1320
1321  1319  H      8.245225    4.627557   12.249373     2  1318
1322  1320  H      9.664148    4.601514   11.481000     2  1318
1323  1321  O      7.965049   14.062472   -4.362989     1  1322  1323
1324  1322  H      7.882517   14.672349   -3.631674     2  1321
1325  1323  H      7.714064   13.230882   -3.845915     2  1321
1326  1324  O      7.709370    9.499565   -7.994663     1  1325  1326
1327  1325  H      8.018002   10.473481   -7.884069     2  1324
1328  1326  H      8.536548    9.098180   -7.485117     2  1324
1329  1327  O      7.789922   12.288036   -7.987136     1  1328  1329
1330  1328  H      8.657923   12.579273   -7.655352     2  1327
1331  1329  H      7.129433   12.772691   -7.522175     2  1327
1332  1330  O      6.007626   13.989175   -6.514084     1  1331  1332
1333  1331  H      6.521963   14.642342   -7.173020     2  1330
1334  1332  H      6.425013   14.213790   -5.763662     2  1330
1335  1333  O      3.293083   14.189796   -6.700532     1  1334  1335
1336  1334  H      4.246539   14.097760   -6.459077     2  1333
1337  1335  H      2.827616   14.123803   -5.690704     2  1333
1338  1336  O      4.532401   10.924834   -7.217605     1  1337  1338
1339  1337  H      4.614933   10.314957   -7.948920     2  1336
1340  1338  H      4.783386   11.756424   -7.734679     2  1336
1341  1339  O      4.788080   15.487741   -3.585931     1  1340  1341
1342  1340  H      4.479448   14.513825   -3.696525     2  1339
1343  1341  H      3.960902   15.889126   -4.095477     2  1339
1344  1342  O      4.707528   12.699270   -3.593458     1  1343  1344
1345  1343  H      3.839527   12.408033   -3.925242     2  1342
1346  1344  H      5.368017   12.214615   -4.058419     2  1342
1347  1345  O      6.489824   10.998131   -5.066510     1  1346  1347
1348  1346  H      5.975487   10.344964   -4.407574     2  1345
1349  1347  H      6.072437   10.773516   -5.816932     2  1345
1350  1348  O      9.204367   10.797510   -4.880062     1  1349  1350
1351  1349  H      8.250911   10.889546   -5.121517     2  1348
1352  1350  H      9.669834   10.863503   -5.889890     2  1348
1353  1351  O      7.966060   14.056407    1.427308     1  1352  1353
1354  1352  H      7.883528   14.666284    2.158623     2  1351
1355  1353  H      7.715075   13.224817    1.944382     2  1351
1356  1354  O      7.710381    9.493500   -2.204366     1  1355  1356
1357  1355  H      8.019013   10.467416   -2.093772     2  1354
1358  1356  H      8.537559    9.092115   -1.694820     2  1354
1359  1357  O      7.790933   12.281971   -2.196839     1  1358  1359
1360  1358  H      8.658934   12.573208   -1.865055     2  1357
1361  1359  H      7.130444   12.766626   -1.731878     2  1357
1362  1360  O      6.008637   13.983110   -0.723787     1  1361  1362
1363  1361  H      6.522974   14.636277   -1.382723     2  1360
1364  1362  H      6.426024   14.207725    0.026635     2  1360
1365  1363  O      3.294094   14.183731   -0.910235     1  1364  1365
1366  1364  H      4.247550   14.091695   -0.668780     2  1363
1367  1365  H      2.828627   14.117738    0.099593     2  1363
1368  1366  O      4.533412   10.918769   -1.427308     1  1367  1368
1369  1367  H      4.615944   10.308892   -2.158623     2  1366
1370  1368  H      4.784397   11.750359   -1.944382     2  1366
1371  1369  O      4.789091   15.481676    2.204366     1  1370  1371
1372  1370  H      4.480459   14.507760    2.093772     2  1369
1373  1371  H      3.961913   15.883061    1.694820     2  1369
1374  1372  O      4.708539   12.693205    2.196839     1  1373  1374
1375  1373  H      3.840538   12.401968    1.865055     2  1372
1376  1374  H      5.369028   12.208550    1.731878     2  1372
1377  1375  O      6.490835   10.992066    0.723787     1  1376  1377
1378  1376  H      5.976498   10.338899    1.382723     2  1375
1379  1377  H      6.073448   10.767451   -0.026635     2  1375
1380  1378  O      9.205378   10.791445    0.910235     1  1379  1380
1381  1379  H      8.251922   10.883481    0.668780     2  1378
1382  1380  H      9.670845   10.857438   -0.099593     2  1378
1383  1381  O      7.967071   14.050342    7.217605     1  1382  1383
1384  1382  H      7.884539   14.660219    7.948920     2  1381
1385  1383  H      7.716086   13.218752    7.734679     2  1381
1386  1384  O      7.711392    9.487435    3.585931     1  1385  1386
1387  1385  H      8.020024   10.461351    3.696525     2  1384
1388  1386  H      8.538570    9.086050    4.095477     2  1384
1389  1387  O      7.791944   12.275906    3.593458     1  1388  1389
1390  1388  H      8.659945   12.567143    3.925242     2  1387
1391  1389  H      7.131455   12.760561    4.058419     2  1387
1392  1390  O      6.009648   13.977045    5.066510     1  1391  1392
1393  1391  H      6.523985   14.630212    4.407574     2  1390
1394  1392  H      6.427035   14.201660    5.816932     2  1390
1395  1393  O      3.295105   14.177666    4.880062     1  1394  1395
1396  1394  H      4.248561   14.085630    5.121517     2  1393
1397  1395  H      2.829638   14.111673    5.889890     2  1393
1398  1396  O      4.534423   10.912704    4.362989     1  1397  1398
1399  1397  H      4.616955   10.302827    3.631674     2  1396
1400  1398  H      4.785408   11.744294    3.845915     2  1396
1401  1399  O      4.790102   15.475611    7.994663     1  1400  1401
1402  1400  H      4.481470   14.501695    7.884069     2  1399
1403  1401  H      3.962924   15.876996    7.485117     2  1399
1404  1402  O      4.709550   12.687140    7.987136     1  1403  1404
1405  1403  H      3.841549   12.395903    7.655352     2  1402
1406  1404  H      5.370039   12.202485    7.522175     2  1402
1407  1405  O      6.491846   10.986001    6.514084     1  1406  1407
1408  1406  H      5.977509   10.332834    7.173020     2  1405
1409  1407  H      6.074459   10.761386    5.763662     2  1405
1410  1408  O      9.206389   10.785380    6.700532     1  1409  1410
1411  1409  H      8.252933   10.877416    6.459077     2  1408
1412  1410  H      9.671856   10.851373    5.690704     2  1408
1413  1411  O      7.968081   14.044277   13.007901     1  1412  1413
1414  1412  H      7.885549   14.654154   13.739216     2  1411
1415  1413  H      7.717096   13.212687   13.524975     2  1411
1416  1414  O      7.712402    9.481370    9.376227     1  1415  1416
1417  1415  H      8.021034   10.455286    9.486821     2  1414
1418  1416  H      8.539580    9.079985    9.885773     2  1414
1419  1417  O      7.792954   12.269841    9.383754     1  1418  1419
1420  1418  H      8.660955   12.561078    9.715538     2  1417
1421  1419  H      7.132465   12.754496    9.848715     2  1417
1422  1420  O      6.010658   13.970980   10.856806     1  1421  1422
1423  1421  H      6.524995   14.624147   10.197870     2  1420
1424  1422  H      6.428045   14.195595   11.607228     2  1420
1425  1423  O      3.296115   14.171601   10.670358     1  1424  1425
1426  1424  H      4.249571   14.079565   10.911813     2  1423
1427  1425  H      2.830648   14.105608   11.680186     2  1423
1428  1426  O      4.535433   10.906639   10.153285     1  1427  1428
1429  1427  H      4.617965   10.296762    9.421970     2  1426
1430  1428  H      4.786418   11.738229    9.636211     2  1426
1431  1429  O      4.791112   15.469546   13.784959     1  1430  1431
1432  1430  H      4.482480   14.495630   13.674365     2  1429
1433  1431  H      3.963934   15.870931   13.275413     2  1429
1434  1432  O      4.710560   12.681075   13.777432     1  1433  1434
1435  1433  H      3.842559   12.389838   13.445648     2  1432
1436  1434  H      5.371049   12.196420   13.312471     2  1432
1437  1435  O      6.492856   10.979936   12.304380     1  1436  1437
1438  1436  H      5.978519   10.326769   12.963316     2  1435
1439  1437  H      6.075469   10.755321   11.553958     2  1435
1440  1438  O      9.207399   10.779315   12.490828     1  1439  1440
1441  1439  H      8.253943   10.871351   12.249373     2  1438
1442  1440  H      9.672866   10.845308   11.481000     2  1438
1443  1441  O     14.171195   -4.668910   -4.362989     1  1442  1443
1444  1442  H     14.088663   -4.059033   -3.631674     2  1441
1445  1443  H     13.920210   -5.500500   -3.845915     2  1441
1446  1444  O     13.915516   -9.231817   -7.994663     1  1445  1446
1447  1445  H     14.224148   -8.257901   -7.884069     2  1444
1448  1446  H     14.742694   -9.633202   -7.485117     2  1444
1449  1447  O     13.996068   -6.443346   -7.987136     1  1448  1449
1450  1448  H     14.864069   -6.152109   -7.655352     2  1447
1451  1449  H     13.335579   -5.958691   -7.522175     2  1447
1452  1450  O     12.213772   -4.742207   -6.514084     1  1451  1452
1453  1451  H     12.728109   -4.089040   -7.173020     2  1450
1454  1452  H     12.631159   -4.517592   -5.763662     2  1450
1455  1453  O      9.499229   -4.541586   -6.700532     1  1454  1455
1456  1454  H     10.452685   -4.633622   -6.459077     2  1453
1457  1455  H      9.033762   -4.607579   -5.690704     2  1453
1458  1456  O     10.738547   -7.806548   -7.217605     1  1457  1458
1459  1457  H     10.821079   -8.416425   -7.948920     2  1456
1460  1458  H     10.989532   -6.974958   -7.734679     2  1456
1461  1459  O     10.994226   -3.243641   -3.585931     1  1460  1461
1462  1460  H     10.685594   -4.217557   -3.696525     2  1459
1463  1461  H     10.167048   -2.842256   -4.095477     2  1459
1464  1462  O     10.913674   -6.032112   -3.593458     1  1463  1464
1465  1463  H     10.045673   -6.323349   -3.925242     2  1462
1466  1464  H     11.574163   -6.516767   -4.058419     2  1462
1467  1465  O     12.695970   -7.733251   -5.066510     1  1466  1467
1468  1466  H     12.181633   -8.386418   -4.407574     2  1465
1469  1467  H     12.278583   -7.957866   -5.816932     2  1465
1470  1468  O     15.410513   -7.933872   -4.880062     1  1469  1470
1471  1469  H     14.457057   -7.841836   -5.121517     2  1468
1472  1470  H     15.875980   -7.867879   -5.889890     2  1468
1473  1471  O     14.172206   -4.674975    1.427308     1  1472  1473
1474  1472  H     14.089674   -4.065098    2.158623     2  1471
1475  1473  H     13.921221   -5.506565    1.944382     2  1471
1476  1474  O     13.916527   -9.237882   -2.204366     1  1475  1476
1477  1475  H     14.225159   -8.263966   -2.093772     2  1474
1478  1476  H     14.743705   -9.639267   -1.694820     2  1474
1479  1477  O     13.997079   -6.449411   -2.196839     1  1478  1479
1480  1478  H     14.865080   -6.158174   -1.865055     2  1477
1481  1479  H     13.336590   -5.964756   -1.731878     2  1477
1482  1480  O     12.214783   -4.748272   -0.723787     1  1481  1482
1483  1481  H     12.729120   -4.095105   -1.382723     2  1480
1484  1482  H     12.632170   -4.523657    0.026635     2  1480
1485  1483  O      9.500240   -4.547651   -0.910235     1  1484  1485
1486  1484  H     10.453696   -4.639687   -0.668780     2  1483
1487  1485  H      9.034773   -4.613644    0.099593     2  1483
1488  1486  O     10.739558   -7.812613   -1.427308     1  1487  1488
1489  1487  H     10.822090   -8.422490   -2.158623     2  1486
1490  1488  H     10.990543   -6.981023   -1.944382     2  1486
1491  1489  O     10.995237   -3.249706    2.204366     1  1490  1491
1492  1490  H     10.686605   -4.223622    2.093772     2  1489
1493  1491  H     10.168059   -2.848321    1.694820     2  1489
1494  1492  O     10.914685   -6.038177    2.196839     1  1493  1494
1495  1493  H     10.046684   -6.329414    1.865055     2  1492
1496  1494  H     11.575174   -6.522832    1.731878     2  1492
1497  1495  O     12.696981   -7.739316    0.723787     1  1496  1497
1498  1496  H     12.182644   -8.392483    1.382723     2  1495
1499  1497  H     12.279594   -7.963931   -0.026635     2  1495
1500  1498  O     15.411524   -7.939937    0.910235     1  1499  1500
1501  1499  H     14.458068   -7.847901    0.668780     2  1498
1502  1500  H     15.876991   -7.873944   -0.099593     2  1498
1503  1501  O     14.173217   -4.681040    7.217605     1  1502  1503
1504  1502  H     14.090685   -4.071163    7.948920     2  1501
1505  1503  H     13.922232   -5.512630    7.734679     2  1501
1506  1504  O     13.917538   -9.243947    3.585931     1  1505  1506
1507  1505  H     14.226170   -8.270031    3.696525     2  1504
1508  1506  H     14.744716   -9.645332    4.095477     2  1504
1509  1507  O     13.998090   -6.455476    3.593458     1  1508  1509
1510  1508  H     14.866091   -6.164239    3.925242     2  1507
1511  1509  H     13.337601   -5.970821    4.058419     2  1507
1512  1510  O     12.215794   -4.754337    5.066510     1  1511  1512
1513  1511  H     12.730131   -4.101170    4.407574     2  1510
1514  1512  H     12.633181   -4.529722    5.816932     2  1510
1515  1513  O      9.501251   -4.553716    4.880062     1  1514  1515
1516  1514  H     10.454707   -4.645752    5.121517     2  1513
1517  1515  H      9.035784   -4.619709    5.889890     2  1513
1518  1516  O     10.740569   -7.818678    4.362989     1  1517  1518
1519  1517  H     10.823101   -8.428555    3.631674     2  1516
1520  1518  H     10.991554   -6.987088    3.845915     2  1516
1521  1519  O     10.996248   -3.255771    7.994663     1  1520  1521
1522  1520  H     10.687616   -4.229687    7.884069     2  1519
1523  1521  H     10.169070   -2.854386    7.485117     2  1519
1524  1522  O     10.915696   -6.044242    7.987136     1  1523  1524
1525  1523  H     10.047695   -6.335479    7.655352     2  1522
1526  1524  H     11.576185   -6.528897    7.522175     2  1522
1527  1525  O     12.697992   -7.745381    6.514084     1  1526  1527
1528  1526  H     12.183655   -8.398548    7.173020     2  1525
1529  1527  H     12.280605   -7.969996    5.763662     2  1525
1530  1528  O     15.412535   -7.946002    6.700532     1  1529  1530
1531  1529  H     14.459079   -7.853966    6.459077     2  1528
1532  1530  H     15.878002   -7.880009    5.690704     2  1528
1533  1531  O     14.174227   -4.687105   13.007901     1  1532  1533
1534  1532  H     14.091695   -4.077228   13.739216     2  1531
1535  1533  H     13.923242   -5.518695   13.524975     2  1531
1536  1534  O     13.918548   -9.250012    9.376227     1  1535  1536
1537  1535  H     14.227180   -8.276096    9.486821     2  1534
1538  1536  H     14.745726   -9.651397    9.885773     2  1534
1539  1537  O     13.999100   -6.461541    9.383754     1  1538  1539
1540  1538  H     14.867101   -6.170304    9.715538     2  1537
1541  1539  H     13.338611   -5.976886    9.848715     2  1537
1542  1540  O     12.216804   -4.760402   10.856806     1  1541  1542
1543  1541  H     12.731141   -4.107235   10.197870     2  1540
1544  1542  H     12.634191   -4.535787   11.607228     2  1540
1545  1543  O      9.502261   -4.559781   10.670358     1  1544  1545
1546  1544  H     10.455717   -4.651817   10.911813     2  1543
1547  1545  H      9.036794   -4.625774   11.680186     2  1543
1548  1546  O     10.741579   -7.824743   10.153285     1  1547  1548
1549  1547  H     10.824111   -8.434620    9.421970     2  1546
1550  1548  H     10.992564   -6.993153    9.636211     2  1546
1551  1549  O     10.997258   -3.261836   13.784959     1  1550  1551
1552  1550  H     10.688626   -4.235752   13.674365     2  1549
1553  1551  H     10.170080   -2.860451   13.275413     2  1549
1554  1552  O     10.916706   -6.050307   13.777432     1  1553  1554
1555  1553  H     10.048705   -6.341544   13.445648     2  1552
1556  1554  H     11.577195   -6.534962   13.312471     2  1552
1557  1555  O     12.699002   -7.751446   12.304380     1  1556  1557
1558  1556  H     12.184665   -8.404613   12.963316     2  1555
1559  1557  H     12.281615   -7.976061   11.553958     2  1555
1560  1558  O     15.413545   -7.952067   12.490828     1  1559  1560
1561  1559  H     14.460089   -7.860031   12.249373     2  1558
1562  1560  H     15.879012   -7.886074   11.481000     2  1558
1563  1561  O     14.179913    1.574884   -4.362989     1  1562  1563
1564  1562  H     14.097381    2.184761   -3.631674     2  1561
1565  1563  H     13.928928    0.743294   -3.845915     2  1561
1566  1564  O     13.924234   -2.988023   -7.994663     1  1565  1566
1567  1565  H     14.232866   -2.014107   -7.884069     2  1564
1568  1566  H     14.751412   -3.389408   -7.485117     2  1564
1569  1567  O     14.004786   -0.199552   -7.987136     1  1568  1569
1570  1568  H     14.872787    0.091685   -7.655352     2  1567
1571  1569  H     13.344297    0.285103   -7.522175     2  1567
1572  1570  O     12.222490    1.501587   -6.514084     1  1571  1572
1573  1571  H     12.736827    2.154754   -7.173020     2  1570
1574  1572  H     12.639877    1.726202   -5.763662     2  1570
1575  1573  O      9.507947    1.702208   -6.700532     1  1574  1575
1576  1574  H     10.461403    1.610172   -6.459077     2  1573
1577  1575  H      9.042480    1.636215   -5.690704     2  1573
1578  1576  O     10.747265   -1.562754   -7.217605     1  1577  1578
1579  1577  H     10.829797   -2.172631   -7.948920     2  1576
1580  1578  H     10.998250   -0.731164   -7.734679     2  1576
1581  1579  O     11.002944    3.000153   -3.585931     1  1580  1581
1582  1580  H     10.694312    2.026237   -3.696525     2  1579
1583  1581  H     10.175766    3.401538   -4.095477     2  1579
1584  1582  O     10.922392    0.211682   -3.593458     1  1583  1584
1585  1583  H     10.054391   -0.079555   -3.925242     2  1582
1586  1584  H     11.582881   -0.272973   -4.058419     2  1582
1587  1585  O     12.704688   -1.489457   -5.066510     1  1586  1587
1588  1586  H     12.190351   -2.142624   -4.407574     2  1585
1589  1587  H     12.287301   -1.714072   -5.816932     2  1585
1590  1588  O     15.419231   -1.690078   -4.880062     1  1589  1590
1591  1589  H     14.465775   -1.598042   -5.121517     2  1588
1592  1590  H     15.884698   -1.624085   -5.889890     2  1588
1593  1591  O     14.180924    1.568819    1.427308     1  1592  1593
1594  1592  H     14.098392    2.178696    2.158623     2  1591
1595  1593  H     13.929939    0.737229    1.944382     2  1591
1596  1594  O     13.925245   -2.994088   -2.204366     1  1595  1596
1597  1595  H     14.233877   -2.020172   -2.093772     2  1594
1598  1596  H     14.752423   -3.395473   -1.694820     2  1594
1599  1597  O     14.005797   -0.205617   -2.196839     1  1598  1599
1600  1598  H     14.873798    0.085620   -1.865055     2  1597
1601  1599  H     13.345308    0.279038   -1.731878     2  1597
1602  1600  O     12.223501    1.495522   -0.723787     1  1601  1602
1603  1601  H     12.737838    2.148689   -1.382723     2  1600
1604  1602  H     12.640888    1.720137    0.026635     2  1600
1605  1603  O      9.508958    1.696143   -0.910235     1  1604  1605
1606  1604  H     10.462414    1.604107   -0.668780     2  1603
1607  1605  H      9.043491    1.630150    0.099593     2  1603
1608  1606  O     10.748276   -1.568819   -1.427308     1  1607  1608
1609  1607  H     10.830808   -2.178696   -2.158623     2  1606
1610  1608  H     10.999261   -0.737229   -1.944382     2  1606
1611  1609  O     11.003955    2.994088    2.204366     1  1610  1611
1612  1610  H     10.695323    2.020172    2.093772     2  1609
1613  1611  H     10.176777    3.395473    1.694820     2  1609
1614  1612  O     10.923403    0.205617    2.196839     1  1613  1614
1615  1613  H     10.055402   -0.085620    1.865055     2  1612
1616  1614  H     11.583892   -0.279038    1.731878     2  1612
1617  1615  O     12.705699   -1.495522    0.723787     1  1616  1617
1618  1616  H     12.191362   -2.148689    1.382723     2  1615
1619  1617  H     12.288312   -1.720137   -0.026635     2  1615
1620  1618  O     15.420242   -1.696143    0.910235     1  1619  1620
1621  1619  H     14.466786   -1.604107    0.668780     2  1618
1622  1620  H     15.885709   -1.630150   -0.099593     2  1618
1623  1621  O     14.181935    1.562754    7.217605     1  1622  1623
1624  1622  H     14.099403    2.172631    7.948920     2  1621
1625  1623  H     13.930950    0.731164    7.734679     2  1621
1626  1624  O     13.926256   -3.000153    3.585931     1  1625  1626
1627  1625  H     14.234888   -2.026237    3.696525     2  1624
1628  1626  H     14.753434   -3.401538    4.095477     2  1624
1629  1627  O     14.006808   -0.211682    3.593458     1  1628  1629
1630  1628  H     14.874809    0.079555    3.925242     2  1627
1631  1629  H     13.346319    0.272973    4.058419     2  1627
1632  1630  O     12.224512    1.489457    5.066510     1  1631  1632
1633  1631  H     12.738849    2.142624    4.407574     2  1630
1634  1632  H     12.641899    1.714072    5.816932     2  1630
1635  1633  O      9.509969    1.690078    4.880062     1  1634  1635
1636  1634  H     10.463425    1.598042    5.121517     2  1633
1637  1635  H      9.044502    1.624085    5.889890     2  1633
1638  1636  O     10.749287   -1.574884    4.362989     1  1637  1638
1639  1637  H     10.831819   -2.184761    3.631674     2  1636
1640  1638  H     11.000272   -0.743294    3.845915     2  1636
1641  1639  O     11.004966    2.988023    7.994663     1  1640  1641
1642  1640  H     10.696334    2.014107    7.884069     2  1639
1643  1641  H     10.177788    3.389408    7.485117     2  1639
1644  1642  O     10.924414    0.199552    7.987136     1  1643  1644
1645  1643  H     10.056413   -0.091685    7.655352     2  1642
1646  1644  H     11.584903   -0.285103    7.522175     2  1642
1647  1645  O     12.706710   -1.501587    6.514084     1  1646  1647
1648  1646  H     12.192373   -2.154754    7.173020     2  1645
1649  1647  H     12.289323   -1.726202    5.763662     2  1645
1650  1648  O     15.421253   -1.702208    6.700532     1  1649  1650
1651  1649  H     14.467797   -1.610172    6.459077     2  1648
1652  1650  H     15.886720   -1.636215    5.690704     2  1648
1653  1651  O     14.182945    1.556689   13.007901     1  1652  1653
1654  1652  H     14.100413    2.166566   13.739216     2  1651
1655  1653  H     13.931960    0.725099   13.524975     2  1651
1656  1654  O     13.927266   -3.006218    9.376227     1  1655  1656
1657  1655  H     14.235898   -2.032302    9.486821     2  1654
1658  1656  H     14.754444   -3.407603    9.885773     2  1654
1659  1657  O     14.007818   -0.217747    9.383754     1  1658  1659
1660  1658  H     14.875819    0.073490    9.715538     2  1657
1661  1659  H     13.347329    0.266908    9.848715     2  1657
1662  1660  O     12.225522    1.483392   10.856806     1  1661  1662
1663  1661  H     12.739859    2.136559   10.197870     2  1660
1664  1662  H     12.642909    1.708007   11.607228     2  1660
1665  1663  O      9.510979    1.684013   10.670358     1  1664  1665
1666  1664  H     10.464435    1.591977   10.911813     2  1663
1667  1665  H      9.045512    1.618020   11.680186     2  1663
1668  1666  O     10.750297   -1.580949   10.153285     1  1667  1668
1669  1667  H     10.832829   -2.190826    9.421970     2  1666
1670  1668  H     11.001282   -0.749359    9.636211     2  1666
1671  1669  O     11.005976    2.981958   13.784959     1  1670  1671
1672  1670  H     10.697344    2.008042   13.674365     2  1669
1673  1671  H     10.178798    3.383343   13.275413     2  1669
1674  1672  O     10.925424    0.193487   13.777432     1  1673  1674
1675  1673  H     10.057423   -0.097750   13.445648     2  1672
1676  1674  H     11.585913   -0.291168   13.312471     2  1672
1677  1675  O     12.707720   -1.507652   12.304380     1  1676  1677
1678  1676  H     12.193383   -2.160819   12.963316     2  1675
1679  1677  H     12.290333   -1.732267   11.553958     2  1675
1680  1678  O     15.422263   -1.708273   12.490828     1  1679  1680
1681  1679  H     14.468807   -1.616237   12.249373     2  1678
1682  1680  H     15.887730   -1.642280   11.481000     2  1678
1683  1681  O     14.188631    7.818678   -4.362989     1  1682  1683
1684  1682  H     14.106099    8.428555   -3.631674     2  1681
1685  1683  H     13.937646    6.987088   -3.845915     2  1681
1686  1684  O     13.932952    3.255771   -7.994663     1  1685  1686
1687  1685  H     14.241584    4.229687   -7.884069     2  1684
1688  1686  H     14.760130    2.854386   -7.485117     2  1684
1689  1687  O     14.013504    6.044242   -7.987136     1  1688  1689
1690  1688  H     14.881505    6.335479   -7.655352     2  1687
1691  1689  H     13.353015    6.528897   -7.522175     2  1687
1692  1690  O     12.231208    7.745381   -6.514084     1  1691  1692
1693  1691  H     12.745545    8.398548   -7.173020     2  1690
1694  1692  H     12.648595    7.969996   -5.763662     2  1690
1695  1693  O      9.516665    7.946002   -6.700532     1  1694  1695
1696  1694  H     10.470121    7.853966   -6.459077     2  1693
1697  1695  H      9.051198    7.880009   -5.690704     2  1693
1698  1696  O     10.755983    4.681040   -7.217605     1  1697  1698
1699  1697  H     10.838515    4.071163   -7.948920     2  1696
1700  1698  H     11.006968    5.512630   -7.734679     2  1696
1701  1699  O     11.011662    9.243947   -3.585931     1  1700  1701
1702  1700  H     10.703030    8.270031   -3.696525     2  1699
1703  1701  H     10.184484    9.645332   -4.095477     2  1699
1704  1702  O     10.931110    6.455476   -3.593458     1  1703  1704
1705  1703  H     10.063109    6.164239   -3.925242     2  1702
1706  1704  H     11.591599    5.970821   -4.058419     2  1702
1707  1705  O     12.713406    4.754337   -5.066510     1  1706  1707
1708  1706  H     12.199069    4.101170   -4.407574     2  1705
1709  1707  H     12.296019    4.529722   -5.816932     2  1705
1710  1708  O     15.427949    4.553716   -4.880062     1  1709  1710
1711  1709  H     14.474493    4.645752   -5.121517     2  1708
1712  1710  H     15.893416    4.619709   -5.889890     2  1708
1713  1711  O     14.189642    7.812613    1.427308     1  1712  1713
1714  1712  H     14.107110    8.422490    2.158623     2  1711
1715  1713  H     13.938657    6.981023    1.944382     2  1711
1716  1714  O     13.933963    3.249706   -2.204366     1  1715  1716
1717  1715  H     14.242595    4.223622   -2.093772     2  1714
1718  1716  H     14.761141    2.848321   -1.694820     2  1714
1719  1717  O     14.014515    6.038177   -2.196839     1  1718  1719
1720  1718  H     14.882516    6.329414   -1.865055     2  1717
1721  1719  H     13.354026    6.522832   -1.731878     2  1717
1722  1720  O     12.232219    7.739316   -0.723787     1  1721  1722
1723  1721  H     12.746556    8.392483   -1.382723     2  1720
1724  1722  H     12.649606    7.963931    0.026635     2  1720
1725  1723  O      9.517676    7.939937   -0.910235     1  1724  1725
1726  1724  H     10.471132    7.847901   -0.668780     2  1723
1727  1725  H      9.052209    7.873944    0.099593     2  1723
1728  1726  O     10.756994    4.674975   -1.427308     1  1727  1728
1729  1727  H     10.839526    4.065098   -2.158623     2  1726
1730  1728  H     11.007979    5.506565   -1.944382     2  1726
1731  1729  O     11.012673    9.237882    2.204366     1  1730  1731
1732  1730  H     10.704041    8.263966    2.093772     2  1729
1733  1731  H     10.185495    9.639267    1.694820     2  1729
1734  1732  O     10.932121    6.449411    2.196839     1  1733  1734
1735  1733  H     10.064120    6.158174    1.865055     2  1732
1736  1734  H     11.592610    5.964756    1.731878     2  1732
1737  1735  O     12.714417    4.748272    0.723787     1  1736  1737
1738  1736  H     12.200080    4.095105    1.382723     2  1735
1739  1737  H     12.297030    4.523657   -0.026635     2  1735
1740  1738  O     15.428960    4.547651    0.910235     1  1739  1740
1741  1739  H     14.475504    4.639687    0.668780     2  1738
1742  1740  H     15.894427    4.613644   -0.099593     2  1738
1743  1741  O     14.190653    7.806548    7.217605     1  1742  1743
1744  1742  H     14.108121    8.416425    7.948920     2  1741
1745  1743  H     13.939668    6.974958    7.734679     2  1741
1746  1744  O     13.934974    3.243641    3.585931     1  1745  1746
1747  1745  H     14.243606    4.217557    3.696525     2  1744
1748  1746  H     14.762152    2.842256    4.095477     2  1744
1749  1747  O     14.015526    6.032112    3.593458     1  1748  1749
1750  1748  H     14.883527    6.323349    3.925242     2  1747
1751  1749  H     13.355037    6.516767    4.058419     2  1747
1752  1750  O     12.233230    7.733251    5.066510     1  1751  1752
1753  1751  H     12.747567    8.386418    4.407574     2  1750
1754  1752  H     12.650617    7.957866    5.816932     2  1750
1755  1753  O      9.518687    7.933872    4.880062     1  1754  1755
1756  1754  H     10.472143    7.841836    5.121517     2  1753
1757  1755  H      9.053220    7.867879    5.889890     2  1753
1758  1756  O     10.758005    4.668910    4.362989     1  1757  1758
1759  1757  H     10.840537    4.059033    3.631674     2  1756
1760  1758  H     11.008990    5.500500    3.845915     2  1756
1761  1759  O     11.013684    9.231817    7.994663     1  1760  1761
1762  1760  H     10.705052    8.257901    7.884069     2  1759
1763  1761  H     10.186506    9.633202    7.485117     2  1759
1764  1762  O     10.933132    6.443346    7.987136     1  1763  1764
1765  1763  H     10.065131    6.152109    7.655352     2  1762
1766  1764  H     11.593621    5.958691    7.522175     2  1762
1767  1765  O     12.715428    4.742207    6.514084     1  1766  1767
1768  1766  H     12.201091    4.089040    7.173020     2  1765
1769  1767  H     12.298041    4.517592    5.763662     2  1765
1770  1768  O     15.429971    4.541586    6.700532     1  1769  1770
1771  1769  H     14.476515    4.633622    6.459077     2  1768
1772  1770  H     15.895438    4.607579    5.690704     2  1768
1773  1771  O     14.191663    7.800483   13.007901     1  1772  1773
1774  1772  H     14.109131    8.410360   13.739216     2  1771
1775  1773  H     13.940678    6.968893   13.524975     2  1771
1776  1774  O     13.935984    3.237576    9.376227     1  1775  1776
1777  1775  H     14.244616    4.211492    9.486821     2  1774
1778  1776  H     14.763162    2.836191    9.885773     2  1774
1779  1777  O     14.016536    6.026047    9.383754     1  1778  1779
1780  1778  H     14.884537    6.317284    9.715538     2  1777
1781  1779  H     13.356047    6.510702    9.848715     2  1777
1782  1780  O     12.234240    7.727186   10.856806     1  1781  1782
1783  1781  H     12.748577    8.380353   10.197870     2  1780
1784  1782  H     12.651627    7.951801   11.607228     2  1780
1785  1783  O      9.519697    7.927807   10.670358     1  1784  1785
1786  1784  H     10.473153    7.835771   10.911813     2  1783
1787  1785  H      9.054230    7.861814   11.680186     2  1783
1788  1786  O     10.759015    4.662845   10.153285     1  1787  1788
1789  1787  H     10.841547    4.052968    9.421970     2  1786
1790  1788  H     11.010000    5.494435    9.636211     2  1786
1791  1789  O     11.014694    9.225752   13.784959     1  1790  1791
1792  1790  H     10.706062    8.251836   13.674365     2  1789
1793  1791  H     10.187516    9.627137   13.275413     2  1789
1794  1792  O     10.934142    6.437281   13.777432     1  1793  1794
1795  1793  H     10.066141    6.146044   13.445648     2  1792
1796  1794  H     11.594631    5.952626   13.312471     2  1792
1797  1795  O     12.716438    4.736142   12.304380     1  1796  1797
1798  1796  H     12.202101    4.082975   12.963316     2  1795
1799  1797  H     12.299051    4.511527   11.553958     2  1795
1800  1798  O     15.430981    4.535521   12.490828     1  1799  1800
1801  1799  H     14.477525    4.627557   12.249373     2  1798
1802  1800  H     15.896448    4.601514   11.481000     2  1798
1803  1801  O     14.197349   14.062472   -4.362989     1  1802  1803
1804  1802  H     14.114817   14.672349   -3.631674     2  1801
1805  1803  H     13.946364   13.230882   -3.845915     2  1801
1806  1804  O     13.941670    9.499565   -7.994663     1  1805  1806
1807  1805  H     14.250302   10.473481   -7.884069     2  1804
1808  1806  H     14.768848    9.098180   -7.485117     2  1804
1809  1807  O     14.022222   12.288036   -7.987136     1  1808  1809
1810  1808  H     14.890223   12.579273   -7.655352     2  1807
1811  1809  H     13.361733   12.772691   -7.522175     2  1807
1812  1810  O     12.239926   13.989175   -6.514084     1  1811  1812
1813  1811  H     12.754263   14.642342   -7.173020     2  1810
1814  1812  H     12.657313   14.213790   -5.763662     2  1810
1815  1813  O      9.525383   14.189796   -6.700532     1  1814  1815
1816  1814  H     10.478839   14.097760   -6.459077     2  1813
1817  1815  H      9.059916   14.123803   -5.690704     2  1813
1818  1816  O     10.764701   10.924834   -7.217605     1  1817  1818
1819  1817  H     10.847233   10.314957   -7.948920     2  1816
1820  1818  H     11.015686   11.756424   -7.734679     2  1816
1821  1819  O     11.020380   15.487741   -3.585931     1  1820  1821
1822  1820  H     10.711748   14.513825   -3.696525     2  1819
1823  1821  H     10.193202   15.889126   -4.095477     2  1819
1824  1822  O     10.939828   12.699270   -3.593458     1  1823  1824
1825  1823  H     10.071827   12.408033   -3.925242     2  1822
1826  1824  H     11.600317   12.214615   -4.058419     2  1822
1827  1825  O     12.722124   10.998131   -5.066510     1  1826  1827
1828  1826  H     12.207787   10.344964   -4.407574     2  1825
1829  1827  H     12.304737   10.773516   -5.816932     2  1825
1830  1828  O     15.436667   10.797510   -4.880062     1  1829  1830
1831  1829  H     14.483211   10.889546   -5.121517     2  1828
1832  1830  H     15.902134   10.863503   -5.889890     2  1828
1833  1831  O     14.198360   14.056407    1.427308     1  1832  1833
1834  1832  H     14.115828   14.666284    2.158623     2  1831
1835  1833  H     13.947375   13.224817    1.944382     2  1831
1836  1834  O     13.942681    9.493500   -2.204366     1  1835  1836
1837  1835  H     14.251313   10.467416   -2.093772     2  1834
1838  1836  H     14.769859    9.092115   -1.694820     2  1834
1839  1837  O     14.023233   12.281971   -2.196839     1  1838  1839
1840  1838  H     14.891234   12.573208   -1.865055     2  1837
1841  1839  H     13.362744   12.766626   -1.731878     2  1837
1842  1840  O     12.240937   13.983110   -0.723787     1  1841  1842
1843  1841  H     12.755274   14.636277   -1.382723     2  1840
1844  1842  H     12.658324   14.207725    0.026635     2  1840
1845  1843  O      9.526394   14.183731   -0.910235     1  1844  1845
1846  1844  H     10.479850   14.091695   -0.668780     2  1843
1847  1845  H      9.060927   14.117738    0.099593     2  1843
1848  1846  O     10.765712   10.918769   -1.427308     1  1847  1848
1849  1847  H     10.848244   10.308892   -2.158623     2  1846
1850  1848  H     11.016697   11.750359   -1.944382     2  1846
1851  1849  O     11.021391   15.481676    2.204366     1  1850  1851
1852  1850  H     10.712759   14.507760    2.093772     2  1849
1853  1851  H     10.194213   15.883061    1.694820     2  1849
1854  1852  O     10.940839   12.693205    2.196839     1  1853  1854
1855  1853  H     10.072838   12.401968    1.865055     2  1852
1856  1854  H     11.601328   12.208550    1.731878     2  1852
1857  1855  O     12.723135   10.992066    0.723787     1  1856  1857
1858  1856  H     12.208798   10.338899    1.382723     2  1855
1859  1857  H     12.305748   10.767451   -0.026635     2  1855
1860  1858  O     15.437678   10.791445    0.910235     1  1859  1860
1861  1859  H     14.484222   10.883481    0.668780     2  1858
1862  1860  H     15.903145   10.857438   -0.099593     2  1858
1863  1861  O     14.199371   14.050342    7.217605     1  1862  1863
1864  1862  H     14.116839   14.660219    7.948920     2  1861
1865  1863  H     13.948386   13.218752    7.734679     2  1861
1866  1864  O     13.943692    9.487435    3.585931     1  1865  1866
1867  1865  H     14.252324   10.461351    3.696525     2  1864
1868  1866  H     14.770870    9.086050    4.095477     2  1864
1869  1867  O     14.024244   12.275906    3.593458     1  1868  1869
1870  1868  H     14.892245   12.567143    3.925242     2  1867
1871  1869  H     13.363755   12.760561    4.058419     2  1867
1872  1870  O     12.241948   13.977045    5.066510     1  1871  1872
1873  1871  H     12.756285   14.630212    4.407574     2  1870
1874  1872  H     12.659335   14.201660    5.816932     2  1870
1875  1873  O      9.527405   14.177666    4.880062     1  1874  1875
1876  1874  H     10.480861   14.085630    5.121517     2  1873
1877  1875  H      9.061938   14.111673    5.889890     2  1873
1878  1876  O     10.766723   10.912704    4.362989     1  1877  1878
1879  1877  H     10.849255   10.302827    3.631674     2  1876
1880  1878  H     11.017708   11.744294    3.845915     2  1876
1881  1879  O     11.022402   15.475611    7.994663     1  1880  1881
1882  1880  H     10.713770   14.501695    7.884069     2  1879
1883  1881  H     10.195224   15.876996    7.485117     2  1879
1884  1882  O     10.941850   12.687140    7.987136     1  1883  1884
1885  1883  H     10.073849   12.395903    7.655352     2  1882
1886  1884  H     11.602339   12.202485    7.522175     2  1882
1887  1885  O     12.724146   10.986001    6.514084     1  1886  1887
1888  1886  H     12.209809   10.332834    7.173020     2  1885
1889  1887  H     12.306759   10.761386    5.763662     2  1885
1890  1888  O     15.438689   10.785380    6.700532     1  1889  1890
1891  1889  H     14.485233   10.877416    6.459077     2  1888
1892  1890  H     15.904156   10.851373    5.690704     2  1888
1893  1891  O     14.200381   14.044277   13.007901     1  1892  1893
1894  1892  H     14.117849   14.654154   13.739216     2  1891
1895  1893  H     13.949396   13.212687   13.524975     2  1891
1896  1894  O     13.944702    9.481370    9.376227     1  1895  1896
1897  1895  H     14.253334   10.455286    9.486821     2  1894
1898  1896  H     14.771880    9.079985    9.885773     2  1894
1899  1897  O     14.025254   12.269841    9.383754     1  1898  1899
1900  1898  H     14.893255   12.561078    9.715538     2  1897
1901  1899  H     13.364765   12.754496    9.848715     2  1897
1902  1900  O     12.242958   13.970980   10.856806     1  1901  1902
1903  1901  H     12.757295   14.624147   10.197870     2  1900
1904  1902  H     12.660345   14.195595   11.607228     2  1900
1905  1903  O      9.528415   14.171601   10.670358     1  1904  1905
1906  1904  H     10.481871   14.079565   10.911813     2  1903
1907  1905  H      9.062948   14.105608   11.680186     2  1903
1908  1906  O     10.767733   10.906639   10.153285     1  1907  1908
1909  1907  H     10.850265   10.296762    9.421970     2  1906
1910  1908  H     11.018718   11.738229    9.636211     2  1906
1911  1909  O     11.023412   15.469546   13.784959     1  1910  1911
1912  1910  H     10.714780   14.495630   13.674365     2  1909
1913  1911  H     10.196234   15.870931   13.275413     2  1909
1914  1912  O     10.942860   12.681075   13.777432     1  1913  1914
1915  1913  H     10.074859   12.389838   13.445648     2  1912
1916  1914  H     11.603349   12.196420   13.312471     2  1912
1917  1915  O     12.725156   10.979936   12.304380     1  1916  1917
1918  1916  H     12.210819   10.326769   12.963316     2  1915
1919  1917  H     12.307769   10.755321   11.553958     2  1915
1920  1918  O     15.439699   10.779315   12.490828     1  1919  1920
1921  1919  H     14.486243   10.871351   12.249373     2  1918
1922  1920  H     15.905166   10.845308   11.481000     2  1918
1923