1  1536  Water Slab (25x25x75 Ang, 512 AMOEBA)
2     1  O     -3.435033   -0.503604    7.849761     1     2     3
3     2  H     -2.671390    0.126840    8.118874     2     1
4     3  H     -4.194266   -0.034214    8.131759     2     1
5     4  O     11.257277   -7.939569   -7.243002     1     5     6
6     5  H     11.781828   -7.157891   -7.507187     2     4
7     6  H     10.503475   -7.651932   -6.771704     2     4
8     7  O      8.587788    1.489278   -4.411017     1     8     9
9     8  H      7.971901    0.852896   -4.900501     2     7
10     9  H      9.472859    1.459952   -4.901650     2     7
11    10  O    -12.428283    5.745495    8.942754     1    11    12
12    11  H    -11.660847    6.145753    8.498915     2    10
13    12  H    -12.871095    5.282100    8.256245     2    10
14    13  O      5.589637    7.830497  -12.250748     1    14    15
15    14  H      5.729855    8.818729  -12.173724     2    13
16    15  H      4.695725    7.801643  -11.856481     2    13
17    16  O      9.910778   -7.627491   12.217613     1    17    18
18    17  H      9.816744   -7.847798   11.245004     2    16
19    18  H     10.159032   -8.434732   12.663745     2    16
20    19  O     11.108611   11.920420   10.081844     1    20    21
21    20  H     11.698837   12.459154    9.480360     2    19
22    21  H     11.041433   12.277962   10.973670     2    19
23    22  O     -4.662494    1.929927   -7.506854     1    23    24
24    23  H     -5.552458    1.735638   -7.223096     2    22
25    24  H     -4.156067    1.683572   -6.734992     2    22
26    25  O     -6.361821   -1.438731   -4.579091     1    26    27
27    26  H     -6.791065   -2.332743   -4.646801     2    25
28    27  H     -5.964850   -1.383366   -3.704385     2    25
29    28  O     -9.938130    7.754187   -0.299879     1    29    30
30    29  H    -10.165861    7.287497   -1.136339     2    28
31    30  H     -9.052760    8.131864   -0.480330     2    28
32    31  O     -2.172644    2.757447    1.541234     1    32    33
33    32  H     -2.331990    2.027761    0.922718     2    31
34    33  H     -1.944660    2.291992    2.365454     2    31
35    34  O    -12.407534   -5.636464   -8.214805     1    35    36
36    35  H    -12.104121   -5.157740   -7.490652     2    34
37    36  H    -12.982830   -5.141759   -8.838306     2    34
38    37  O    -10.366867    7.747524   -6.009488     1    38    39
39    38  H    -11.262266    8.082921   -6.170751     2    37
40    39  H     -9.858337    7.940756   -6.815868     2    37
41    40  O      6.317554   -0.905653    6.561665     1    41    42
42    41  H      6.066694   -1.783511    6.926015     2    40
43    42  H      5.557017   -0.332582    6.515466     2    40
44    43  O      4.953948   -6.827027    2.483552     1    44    45
45    44  H      4.506265   -7.457922    3.168303     2    43
46    45  H      4.674892   -5.989429    2.801439     2    43
47    46  O      8.905025   -4.821784    3.853565     1    47    48
48    47  H      9.304348   -4.094415    3.438238     2    46
49    48  H      8.635527   -5.299012    3.046273     2    46
50    49  O     10.929344   -3.065389   -1.791590     1    50    51
51    50  H     10.108585   -2.512660   -1.681961     2    49
52    51  H     11.709957   -2.495480   -1.988523     2    49
53    52  O    -11.057143   11.538690   -5.599556     1    53    54
54    53  H    -11.622085   10.824677   -5.364585     2    52
55    54  H    -10.185586   11.044512   -5.668099     2    52
56    55  O     10.393280   -6.381624    5.956222     1    56    57
57    56  H      9.667718   -6.455800    6.617443     2    55
58    57  H     10.038071   -5.720238    5.236955     2    55
59    58  O     -9.637794   -1.412282   -8.784343     1    59    60
60    59  H    -10.015154   -0.822806   -8.092923     2    58
61    60  H     -9.269181   -2.150209   -8.246772     2    58
62    61  O     -8.629825   11.459269   -7.188631     1    62    63
63    62  H     -8.286795   10.556843   -7.070484     2    61
64    63  H     -8.712550   11.577587   -8.186108     2    61
65    64  O      5.343913  -11.684913    1.659755     1    65    66
66    65  H      5.410741  -11.430957    2.539378     2    64
67    66  H      4.762219  -11.078845    1.176727     2    64
68    67  O     11.770600   11.022417  -10.782915     1    68    69
69    68  H     11.407983   10.139259  -10.774706     2    67
70    69  H     12.505659   10.984882  -10.154465     2    67
71    70  O     -7.913770   -4.972173    7.139031     1    71    72
72    71  H     -8.888373   -5.180309    7.127430     2    70
73    72  H     -7.463311   -5.738342    7.574335     2    70
74    73  O     -3.410032   11.482524   -6.418143     1    74    75
75    74  H     -3.245953   10.529854   -6.339957     2    73
76    75  H     -2.744197   11.905150   -5.837499     2    73
77    76  O      2.674683    2.298729    4.629574     1    77    78
78    77  H      3.575204    2.603534    4.336795     2    76
79    78  H      2.921216    1.553166    5.189169     2    76
80    79  O    -11.905677   -9.387106   -0.770048     1    80    81
81    80  H    -12.685230   -8.889468   -0.790796     2    79
82    81  H    -12.207237  -10.265504   -1.217518     2    79
83    82  O     -5.152889   10.031079   10.112874     1    83    84
84    83  H     -4.289981    9.633372   10.394661     2    82
85    84  H     -5.818725    9.726185   10.735603     2    82
86    85  O     -1.443890    1.401769    4.006608     1    86    87
87    86  H     -1.345256    1.692114    4.887008     2    85
88    87  H     -1.325958    0.484494    3.936720     2    85
89    88  O     -1.946766    7.110905    5.723506     1    89    90
90    89  H     -2.704549    6.537959    5.545097     2    88
91    90  H     -2.345339    7.989469    5.581797     2    88
92    91  O    -11.552948   -2.413920    3.998693     1    92    93
93    92  H    -11.351438   -3.253938    3.518497     2    91
94    93  H    -11.588491   -1.689481    3.300705     2    91
95    94  O    -10.197629    2.883087   -8.443018     1    95    96
96    95  H     -9.365254    3.256755   -8.048813     2    94
97    96  H    -10.912994    3.402288   -8.075751     2    94
98    97  O      3.434589    9.297241   10.168552     1    98    99
99    98  H      3.548821    9.171143    9.253086     2    97
100    99  H      3.945016    8.553276   10.572760     2    97
101   100  O      6.815895  -11.335305   -8.391531     1   101   102
102   101  H      7.691053  -11.685329   -8.689133     2   100
103   102  H      6.208402  -12.050032   -8.226695     2   100
104   103  O     -4.750177   -7.302610    4.281823     1   104   105
105   104  H     -5.559042   -7.047219    4.753285     2   103
106   105  H     -4.103080   -7.339729    5.014362     2   103
107   106  O      3.706420    3.273165   -2.804714     1   107   108
108   107  H      4.442667    2.905920   -3.339578     2   106
109   108  H      3.841180    4.195446   -2.568055     2   106
110   109  O      8.444088   -3.867635  -10.999036     1   110   111
111   110  H      8.407344   -4.777729  -10.594556     2   109
112   111  H      7.882922   -3.860472  -11.819330     2   109
113   112  O      8.741239    9.388492  -10.136979     1   113   114
114   113  H      7.895289    9.281773   -9.681167     2   112
115   114  H      8.468357    9.909425  -10.931881     2   112
116   115  O     -0.239985    9.975938   10.233933     1   116   117
117   116  H      0.416457    9.281321   10.228623     2   115
118   117  H     -1.040969    9.543268   10.509273     2   115
119   118  O      2.885056   -7.728853    7.054437     1   119   120
120   119  H      3.105980   -8.172800    6.223080     2   118
121   120  H      1.970486   -7.442268    6.918778     2   118
122   121  O      2.688114   10.928655   -1.958265     1   122   123
123   122  H      2.438663   10.009838   -2.098546     2   121
124   123  H      2.735957   11.359598   -2.829458     2   121
125   124  O      9.234868    5.097119   12.437071     1   125   126
126   125  H      8.619001    5.722372   12.801020     2   124
127   126  H      9.546980    5.580502   11.671608     2   124
128   127  O     -1.094409   -8.643765    8.689349     1   128   129
129   128  H     -0.235032   -9.017620    8.858856     2   127
130   129  H     -0.900171   -7.775485    8.263340     2   127
131   130  O     -9.889757    1.017024    3.012968     1   131   132
132   131  H     -9.197350    0.787219    3.648229     2   130
133   132  H     -9.799936    1.971117    2.791223     2   130
134   133  O      4.769388   -4.173449   -6.227382     1   134   135
135   134  H      5.143879   -4.933615   -6.686893     2   133
136   135  H      5.343543   -4.201455   -5.423978     2   133
137   136  O     -8.828883    5.203167    0.723228     1   137   138
138   137  H     -9.354216    6.046229    0.588624     2   136
139   138  H     -7.923436    5.516751    0.646158     2   136
140   139  O     -1.554220    1.669489    8.921558     1   140   141
141   140  H     -0.750648    1.216878    9.026632     2   139
142   141  H     -1.878547    1.840605    9.791869     2   139
143   142  O      8.648671  -11.592356   -1.204826     1   143   144
144   143  H      7.915992  -10.854045   -1.213981     2   142
145   144  H      8.539925  -11.863475   -0.280150     2   142
146   145  O      9.248902    6.422106   -5.197866     1   146   147
147   146  H      9.250730    7.201923   -4.639095     2   145
148   147  H      9.567966    6.711424   -6.076679     2   145
149   148  O     -6.137509   12.263472    5.341219     1   149   150
150   149  H     -5.761432   12.334666    6.200077     2   148
151   150  H     -7.078312   12.713574    5.410117     2   148
152   151  O     -9.938560   -8.829976    1.105050     1   152   153
153   152  H    -10.714970   -8.902547    0.553800     2   151
154   153  H     -9.311292   -9.450608    0.727243     2   151
155   154  O     -7.792456   10.279778    2.502394     1   155   156
156   155  H     -7.088019   10.381452    3.121168     2   154
157   156  H     -8.645108   10.348480    3.054337     2   154
158   157  O      8.143615   11.669557  -11.842003     1   158   159
159   158  H      8.868138   11.763022  -12.502510     2   157
160   159  H      8.416125   12.235770  -11.127879     2   157
161   160  O      6.767421   12.350896    6.121800     1   161   162
162   161  H      7.412873   11.749682    5.749780     2   160
163   162  H      7.279369   12.991952    6.600109     2   160
164   163  O     -4.129799   -4.308243   -0.161581     1   164   165
165   164  H     -4.017094   -5.008759    0.512994     2   163
166   165  H     -3.692225   -3.508107    0.075289     2   163
167   166  O      0.731249    0.047346    9.263396     1   167   168
168   167  H      1.658656    0.326390    9.442665     2   166
169   168  H      0.521628   -0.719318    9.879952     2   166
170   169  O      4.802860    2.101906   -4.871599     1   170   171
171   170  H      5.442501    1.405664   -5.158500     2   169
172   171  H      4.912476    2.737113   -5.576016     2   169
173   172  O     -1.259890   -3.510679    2.908873     1   173   174
174   173  H     -1.518527   -3.167118    2.045169     2   172
175   174  H     -2.012690   -3.505336    3.438382     2   172
176   175  O     -2.060949   -4.588170   -1.972910     1   176   177
177   176  H     -1.870890   -5.477108   -2.190949     2   175
178   177  H     -2.749278   -4.541468   -1.350328     2   175
179   178  O      2.385683   -5.043675   -5.192385     1   179   180
180   179  H      3.199743   -5.135309   -5.700846     2   178
181   180  H      2.344287   -4.149476   -4.816584     2   178
182   181  O     -8.480634   -0.497308    4.746380     1   182   183
183   182  H     -7.553688   -0.649703    4.729975     2   181
184   183  H     -8.758026   -0.599305    5.718308     2   181
185   184  O     -1.576559    6.788792    0.276564     1   185   186
186   185  H     -2.288397    6.227341    0.606195     2   184
187   186  H     -1.914692    7.117356   -0.594653     2   184
188   187  O      6.607966    6.403944   -8.685052     1   188   189
189   188  H      6.679923    6.165492   -9.595319     2   187
190   189  H      7.515023    6.170647   -8.310903     2   187
191   190  O      2.712325    7.446859    2.455492     1   191   192
192   191  H      2.367538    7.740294    1.657631     2   190
193   192  H      2.057256    7.609912    3.117330     2   190
194   193  O     -9.382278   -1.998314   -5.759432     1   194   195
195   194  H     -9.484483   -1.998185   -4.813316     2   193
196   195  H     -8.957529   -2.835189   -5.986191     2   193
197   196  O      4.878134   -7.031039   -0.186157     1   197   198
198   197  H      4.278945   -6.322776   -0.431646     2   196
199   198  H      4.896330   -7.009959    0.780262     2   196
200   199  O     -2.477859   -9.769540    5.862491     1   200   201
201   200  H     -3.162527  -10.145557    5.247259     2   199
202   201  H     -1.929640   -9.152761    5.352919     2   199
203   202  O     -4.774321    3.871452   -4.893058     1   203   204
204   203  H     -4.597988    4.005012   -3.917283     2   202
205   204  H     -4.140816    3.132036   -5.175073     2   202
206   205  O      0.955702  -10.070411    0.179223     1   206   207
207   206  H      0.612370  -10.965750    0.320711     2   205
208   207  H      0.573763   -9.535696    0.853573     2   205
209   208  O    -10.652284  -12.344403  -11.560902     1   209   210
210   209  H    -11.517676  -12.623333  -11.788665     2   208
211   210  H    -10.808048  -11.379386  -11.454267     2   208
212   211  O    -11.964050   -0.571181    9.456497     1   212   213
213   212  H    -11.214086   -0.946137   10.006522     2   211
214   213  H    -12.139557    0.300017    9.787410     2   211
215   214  O     11.662839   11.397170    3.959239     1   215   216
216   215  H     12.234361   11.762349    3.241992     2   214
217   216  H     10.923669   10.994499    3.512914     2   214
218   217  O      2.168728   -2.212929    6.058585     1   218   219
219   218  H      1.957397   -2.880807    5.385711     2   217
220   219  H      2.623062   -2.642052    6.810545     2   217
221   220  O     -9.438260    9.543942   -4.098140     1   221   222
222   221  H     -8.624737    9.792829   -4.521385     2   220
223   222  H     -9.794155    8.769774   -4.521843     2   220
224   223  O     -5.790297    1.367508    1.280141     1   224   225
225   224  H     -5.429453    1.390550    0.393693     2   223
226   225  H     -6.722553    1.369994    1.117702     2   223
227   226  O     -9.359967    2.305690    9.961732     1   227   228
228   227  H     -9.524974    1.463170   10.407646     2   226
229   228  H     -9.980661    2.932967   10.449511     2   226
230   229  O      7.697785   -6.356594    1.966680     1   230   231
231   230  H      6.772157   -6.604345    1.890185     2   229
232   231  H      8.045706   -6.942234    1.249152     2   229
233   232  O     10.422662    6.752785   10.371107     1   233   234
234   233  H     11.237327    6.504882   10.078169     2   232
235   234  H     10.365795    7.689116   10.239533     2   232
236   235  O     -5.529324    0.774198    8.808647     1   236   237
237   236  H     -6.154762    0.340040    9.409633     2   235
238   237  H     -6.140142    0.881387    8.002297     2   235
239   238  O     11.998860  -10.170603    3.073914     1   239   240
240   239  H     12.025364  -10.978823    2.541549     2   238
241   240  H     12.865104  -10.300625    3.565448     2   238
242   241  O    -12.367967   -5.451952   -1.123552     1   242   243
243   242  H    -11.423770   -5.118183   -1.174344     2   241
244   243  H    -12.661323   -5.561409   -0.208208     2   241
245   244  O     10.423137   -8.070925    2.219768     1   245   246
246   245  H     11.070298   -8.830645    2.434250     2   244
247   246  H      9.698924   -8.440419    1.659080     2   244
248   247  O     -3.998191   -1.036483   -1.983514     1   248   249
249   248  H     -3.663953   -0.668659   -2.842387     2   247
250   249  H     -3.596574   -1.906680   -1.957001     2   247
251   250  O      6.362447   -1.367408  -13.566159     1   251   252
252   251  H      6.324752   -2.337616  -13.558412     2   250
253   252  H      6.083663   -1.076358  -14.452529     2   250
254   253  O     -0.160370   -1.010652   -9.251322     1   254   255
255   254  H     -0.201343   -0.408574   -8.472121     2   253
256   255  H     -0.421032   -1.823626   -8.904391     2   253
257   256  O      3.046410    5.244961    8.304128     1   257   258
258   257  H      2.354270    5.098507    7.680380     2   256
259   258  H      2.604427    5.252161    9.166280     2   256
260   259  O      2.463411    5.147545    0.818651     1   260   261
261   260  H      1.522929    5.007584    0.805392     2   259
262   261  H      2.770656    5.736950    1.502843     2   259
263   262  O     -5.210928  -11.329307   -0.421042     1   263   264
264   263  H     -6.010442  -10.908362   -0.737500     2   262
265   264  H     -5.509296  -12.047073    0.082085     2   262
266   265  O      4.635774   10.943003   -8.728454     1   266   267
267   266  H      3.920618   10.643897   -8.127032     2   265
268   267  H      5.477816   10.528580   -8.509610     2   265
269   268  O     -7.055929   -3.967693   -4.360683     1   269   270
270   269  H     -6.628556   -4.368593   -5.155140     2   268
271   270  H     -7.890648   -4.439953   -4.239378     2   268
272   271  O     -9.144506   -3.621473    9.874524     1   272   273
273   272  H     -9.550044   -2.962993   10.434288     2   271
274   273  H     -9.265726   -4.433691   10.359537     2   271
275   274  O    -11.910301   12.377109    1.707026     1   275   276
276   275  H    -12.416463   11.911974    1.072210     2   274
277   276  H    -10.959404   12.194959    1.575333     2   274
278   277  O    -11.290156   -1.019340    1.340036     1   278   279
279   278  H    -11.063432   -0.071350    1.304482     2   277
280   279  H    -10.482115   -1.536663    1.265630     2   277
281   280  O      8.786756   11.645654   -7.524363     1   281   282
282   281  H      9.432794   12.024300   -6.874696     2   280
283   282  H      9.127269   11.874353   -8.381824     2   280
284   283  O     -0.093105   -3.390917   -0.040919     1   284   285
285   284  H      0.031080   -2.443789   -0.310746     2   283
286   285  H     -0.659555   -3.765107   -0.669730     2   283
287   286  O      6.869481    9.601365    7.199754     1   287   288
288   287  H      7.542105   10.237405    7.405800     2   286
289   288  H      7.277268    8.726229    7.439600     2   286
290   289  O      6.320358   -0.001021   -5.373711     1   290   291
291   290  H      6.046133   -0.656454   -4.680700     2   289
292   291  H      6.358925   -0.510443   -6.171878     2   289
293   292  O     -4.550974    2.212033    3.922034     1   293   294
294   293  H     -4.515226    2.166632    2.989661     2   292
295   294  H     -3.814042    1.747685    4.333273     2   292
296   295  O     10.160856   -3.467679    1.033870     1   296   297
297   296  H     10.305838   -2.545557    1.345753     2   295
298   297  H     10.287167   -3.301678    0.091406     2   295
299   298  O     -2.401043    4.826990    9.675043     1   299   300
300   299  H     -2.883377    4.736870   10.526970     2   298
301   300  H     -2.753955    4.101789    9.137478     2   298
302   301  O     -4.395658   11.625742    7.672510     1   302   303
303   302  H     -4.775509   11.285339    8.497242     2   301
304   303  H     -3.810386   12.326820    8.122987     2   301
305   304  O      8.184252   -4.314424   -6.975719     1   305   306
306   305  H      8.383439   -3.464141   -6.539278     2   304
307   306  H      8.759121   -4.580887   -7.698919     2   304
308   307  O     -5.168004   -1.176138   -6.992250     1   308   309
309   308  H     -5.846542   -1.163209   -6.352177     2   307
310   309  H     -5.255999   -0.357741   -7.384411     2   307
311   310  O     -3.681173   -0.904929    4.981427     1   311   312
312   311  H     -3.817939   -0.916801    5.965469     2   310
313   312  H     -2.743698   -1.009356    4.930993     2   310
314   313  O    -11.996167   -1.911906   -6.786073     1   314   315
315   314  H    -12.850620   -1.733141   -7.210871     2   313
316   315  H    -11.530402   -1.076000   -6.835636     2   313
317   316  O     -4.848568    5.302291   -1.647126     1   317   318
318   317  H     -4.317018    4.519450   -1.666618     2   316
319   318  H     -4.335332    6.056676   -1.809563     2   316
320   319  O     10.841963   -1.072796    2.190844     1   320   321
321   320  H     11.742303   -0.880388    1.856954     2   319
322   321  H     10.361842   -0.229970    2.368335     2   319
323   322  O     -7.312702   -1.471102   -1.313077     1   323   324
324   323  H     -7.922107   -1.870958   -1.956718     2   322
325   324  H     -7.077922   -2.150301   -0.668473     2   322
326   325  O     -8.468928   11.952903   -9.997596     1   326   327
327   326  H     -7.791132   11.320871  -10.195395     2   325
328   327  H     -9.119265   12.050506  -10.734799     2   325
329   328  O     -3.210207   -1.103969   -4.575906     1   329   330
330   329  H     -2.620528   -1.829946   -4.553553     2   328
331   330  H     -3.843448   -1.295238   -5.266076     2   328
332   331  O      2.058909    2.844655   -5.073117     1   332   333
333   332  H      2.366727    3.382378   -5.868998     2   331
334   333  H      2.806910    2.909029   -4.517556     2   331
335   334  O     -5.748604   -7.742345    0.321277     1   335   336
336   335  H     -5.595177   -8.250059    1.164370     2   334
337   336  H     -4.958235   -7.083881    0.454605     2   334
338   337  O     -2.183658    4.942803  -10.288967     1   338   339
339   338  H     -2.085832    4.605168  -11.237252     2   337
340   339  H     -3.020197    4.637509   -9.975238     2   337
341   340  O     -4.007888    2.743085   -2.650599     1   341   342
342   341  H     -3.225412    2.223783   -2.707732     2   340
343   342  H     -4.567583    2.052562   -2.218222     2   340
344   343  O      8.471893  -10.248670    6.361998     1   344   345
345   344  H      8.156524  -10.091634    5.485668     2   343
346   345  H      9.384549   -9.910516    6.318676     2   343
347   346  O     -0.615424    4.826375   -4.692782     1   347   348
348   347  H     -0.385907    4.727036   -3.767308     2   346
349   348  H     -0.366633    3.960064   -5.080978     2   346
350   349  O    -11.744160    8.800322    1.358337     1   350   351
351   350  H    -11.136712    8.383207    0.670667     2   349
352   351  H    -12.363646    9.381954    0.885580     2   349
353   352  O      2.605092   -1.973351   -0.634924     1   353   354
354   353  H      1.685027   -1.645003   -0.586461     2   352
355   354  H      2.865517   -1.603735    0.245654     2   352
356   355  O      8.373861    3.787695    8.130375     1   356   357
357   356  H      8.504176    3.452990    8.991263     2   355
358   357  H      8.203046    3.011464    7.613234     2   355
359   358  O     -4.958331   -3.253847   12.260330     1   359   360
360   359  H     -4.718933   -3.205480   13.172714     2   358
361   360  H     -5.387025   -4.127399   12.083455     2   358
362   361  O     -1.107254   -3.427805   -8.470733     1   362   363
363   362  H     -1.863915   -3.917652   -8.947937     2   361
364   363  H     -1.332095   -3.499153   -7.505487     2   361
365   364  O      5.567772   -1.563594   -3.371765     1   365   366
366   365  H      5.879270   -1.770118   -2.510402     2   364
367   366  H      4.664796   -1.877891   -3.344711     2   364
368   367  O    -12.283577  -11.339175    8.201061     1   368   369
369   368  H    -12.895243  -11.493989    7.395421     2   367
370   369  H    -12.149760  -10.391543    8.159507     2   367
371   370  O    -10.926658    4.751734   10.936922     1   371   372
372   371  H    -11.503547    4.338187   11.582775     2   370
373   372  H    -11.574395    5.118855   10.279701     2   370
374   373  O     -7.851508    7.454112  -13.028924     1   374   375
375   374  H     -6.966438    7.131365  -12.795514     2   373
376   375  H     -8.237998    6.796668  -13.626737     2   373
377   376  O      8.178229    0.943510    7.735295     1   377   378
378   377  H      8.884547    0.282177    7.943753     2   376
379   378  H      7.343906    0.517825    7.348063     2   376
380   379  O      9.862483    4.414215  -11.719753     1   380   381
381   380  H      9.456790    4.030758  -12.490998     2   379
382   381  H      9.313747    3.971230  -11.054329     2   379
383   382  O    -10.554955   -9.719580    9.823706     1   383   384
384   383  H    -11.127659   -8.950511    9.898618     2   382
385   384  H    -10.862224  -10.446391   10.403044     2   382
386   385  O     -0.565965    2.423638   -6.382232     1   386   387
387   386  H      0.369652    2.148736   -6.157348     2   385
388   387  H     -0.395311    2.501635   -7.383417     2   385
389   388  O      6.938898   -7.134945   -4.072841     1   389   390
390   389  H      6.908267   -7.455083   -3.185700     2   388
391   390  H      6.768157   -6.201201   -4.097952     2   388
392   391  O     -9.576475    8.642681  -11.041733     1   392   393
393   392  H    -10.464787    8.296944  -11.321008     2   391
394   393  H     -8.954939    8.245559  -11.661120     2   391
395   394  O     -6.577540  -10.896775    7.947230     1   395   396
396   395  H     -7.368462  -10.346436    7.997814     2   394
397   396  H     -5.876233  -10.273930    7.784595     2   394
398   397  O     -4.523081   -5.580667   -3.498118     1   398   399
399   398  H     -5.377844   -5.101066   -3.382567     2   397
400   399  H     -3.899411   -4.929924   -3.262016     2   397
401   400  O      0.167350   10.915968   -4.511757     1   401   402
402   401  H     -0.187089   11.715829   -4.801260     2   400
403   402  H      0.331814   10.363866   -5.331664     2   400
404   403  O      5.046321   -7.693094    8.637386     1   404   405
405   404  H      4.210018   -7.558735    8.173867     2   403
406   405  H      4.708603   -7.869400    9.507943     2   403
407   406  O      1.942630   -5.696920  -11.007275     1   407   408
408   407  H      2.480562   -5.009179  -11.438293     2   406
409   408  H      1.732979   -5.396130  -10.121998     2   406
410   409  O      3.650416    5.763986   -5.834157     1   410   411
411   410  H      4.526428    5.820866   -5.520809     2   409
412   411  H      3.801601    5.101538   -6.523917     2   409
413   412  O      7.779420    3.723151    5.139264     1   413   414
414   413  H      7.944392    4.651881    5.051901     2   412
415   414  H      8.631710    3.330040    4.921585     2   412
416   415  O     12.303014    3.216467  -12.144336     1   416   417
417   416  H     12.738401    4.000150  -12.468713     2   415
418   417  H     11.449880    3.609996  -11.858454     2   415
419   418  O     -0.278610   -9.366024   -5.642545     1   419   420
420   419  H      0.192509   -8.795450   -6.289833     2   418
421   420  H      0.466689   -9.802098   -5.173769     2   418
422   421  O     11.382592    1.242971   14.191577     1   422   423
423   422  H     11.160581    0.664068   13.383700     2   421
424   423  H     10.919308    0.850969   14.908219     2   421
425   424  O     -8.655831  -10.426219   -8.947921     1   425   426
426   425  H     -8.543751  -10.405512   -8.013520     2   424
427   426  H     -8.559658  -11.297508   -9.304739     2   424
428   427  O     10.895090    7.700684   -1.278415     1   428   429
429   428  H     11.268702    8.511064   -0.867119     2   427
430   429  H     10.188061    7.966805   -1.918132     2   427
431   430  O      5.163171    3.837232   -7.358755     1   431   432
432   431  H      6.119678    4.009494   -7.241705     2   430
433   432  H      4.995063    3.264277   -8.123440     2   430
434   433  O      8.784802   -7.851808   -0.088051     1   434   435
435   434  H      9.453209   -7.836060   -0.758789     2   433
436   435  H      7.990572   -8.189756   -0.586918     2   433
437   436  O      3.124215   -7.699907   -9.363357     1   437   438
438   437  H      3.439817   -8.577264   -9.594213     2   436
439   438  H      2.697826   -7.381681  -10.134446     2   436
440   439  O     -0.108958    9.095073   -6.793202     1   440   441
441   440  H      0.251532    8.387427   -6.306727     2   439
442   441  H     -1.064845    8.826758   -6.850367     2   439
443   442  O     10.525339   -1.912105    5.273161     1   443   444
444   443  H     11.201347   -2.409387    4.857471     2   442
445   444  H      9.830504   -1.693036    4.734359     2   442
446   445  O      6.482433   -8.452647   -1.649545     1   446   447
447   446  H      5.902666   -9.094632   -2.037096     2   445
448   447  H      5.886853   -7.954023   -1.039549     2   445
449   448  O     -2.496842   -3.003012    8.823133     1   449   450
450   449  H     -3.290119   -3.399449    9.259689     2   448
451   450  H     -2.844024   -2.279146    8.274652     2   448
452   451  O     -1.120759   -1.140409    4.375105     1   452   453
453   452  H     -0.503120   -0.874227    5.101901     2   451
454   453  H     -0.781548   -1.886878    3.997570     2   451
455   454  O     -4.988759    7.968871  -12.343407     1   455   456
456   455  H     -5.066197    8.887238  -12.571326     2   454
457   456  H     -4.212144    7.558851  -12.803938     2   454
458   457  O     -2.233555  -11.148177   -7.713734     1   458   459
459   458  H     -1.445208  -11.716346   -7.718825     2   457
460   459  H     -2.973678  -11.705864   -7.904037     2   457
461   460  O     -9.679212   -6.071455   10.988438     1   461   462
462   461  H     -9.054688   -6.733922   10.897426     2   460
463   462  H    -10.485878   -6.462582   10.574399     2   460
464   463  O     -6.869806    7.484763   -4.538689     1   464   465
465   464  H     -7.139618    6.706959   -4.114530     2   463
466   465  H     -6.830363    8.180109   -3.849665     2   463
467   466  O     -7.904382  -10.676782    2.360678     1   467   468
468   467  H     -7.121703  -10.098944    2.197157     2   466
469   468  H     -7.672188  -11.285660    3.065392     2   466
470   469  O    -10.311911  -12.004640   -3.240467     1   470   471
471   470  H    -10.207522  -12.630452   -2.509795     2   469
472   471  H    -10.604234  -12.430339   -4.050166     2   469
473   472  O     -2.542165    9.777340    5.778155     1   473   474
474   473  H     -3.364441    9.977347    6.221037     2   472
475   474  H     -1.877568   10.015392    6.482331     2   472
476   475  O     -9.350073   -5.347933   -4.397554     1   476   477
477   476  H     -9.130742   -6.215534   -4.786291     2   475
478   477  H     -9.971946   -5.003963   -5.058316     2   475
479   478  O      5.896367   -1.702485   -7.419406     1   479   480
480   479  H      5.626211   -2.525500   -6.988251     2   478
481   480  H      6.399817   -1.918157   -8.190770     2   478
482   481  O     -0.762078   -4.328268    6.946111     1   482   483
483   482  H     -1.416238   -3.824047    7.444563     2   481
484   483  H     -0.293244   -3.624736    6.471475     2   481
485   484  O      0.750029    9.992728    3.715269     1   485   486
486   485  H     -0.140308   10.453355    3.791985     2   484
487   486  H      0.543650    9.154311    3.336839     2   484
488   487  O      1.715127    9.392957    6.307703     1   488   489
489   488  H      2.459513    9.779563    6.761872     2   487
490   489  H      1.790064    9.547267    5.349615     2   487
491   490  O     -6.446192   -2.923929    0.956304     1   491   492
492   491  H     -6.000636   -2.224424    1.411566     2   490
493   492  H     -5.693711   -3.403937    0.599106     2   490
494   493  O      8.895712   10.232576   -1.120142     1   494   495
495   494  H      8.759001   11.172802   -1.178272     2   493
496   495  H      8.174178    9.837751   -0.665475     2   493
497   496  O     -1.802390  -11.671551   -4.810252     1   497   498
498   497  H     -1.958973  -11.500453   -3.858892     2   496
499   498  H     -1.924662  -10.901925   -5.449536     2   496
500   499  O     -2.154244   11.467610    3.663504     1   500   501
501   500  H     -2.302783   10.719492    3.007897     2   499
502   501  H     -2.476368   10.977285    4.473131     2   499
503   502  O    -10.798140   -9.519784  -10.221597     1   503   504
504   503  H    -10.754713   -8.598141  -10.430652     2   502
505   504  H     -9.964709   -9.741265   -9.711113     2   502
506   505  O    -12.259024   -8.553474    7.769450     1   506   507
507   506  H    -12.807554   -8.660567    6.963330     2   505
508   507  H    -12.724411   -8.043418    8.485007     2   505
509   508  O     11.743590   -2.699131   11.976260     1   509   510
510   509  H     11.276307   -1.902626   11.834416     2   508
511   510  H     11.734277   -3.253612   11.180545     2   508
512   511  O     -7.318399    3.947392  -13.099333     1   512   513
513   512  H     -6.511581    3.621773  -12.816714     2   511
514   513  H     -7.943945    3.291480  -12.835124     2   511
515   514  O      5.503468   -3.506440   -1.416081     1   515   516
516   515  H      4.775627   -4.155133   -1.383199     2   514
517   516  H      6.057295   -3.750511   -0.675224     2   514
518   517  O     -8.867302  -11.786503    5.858409     1   518   519
519   518  H     -8.901571  -12.561674    6.481736     2   517
520   519  H     -8.969820  -10.988635    6.427372     2   517
521   520  O    -10.515111   -2.002328   11.650443     1   521   522
522   521  H    -10.107267   -1.621880   12.450953     2   520
523   522  H    -11.318804   -2.407840   11.829939     2   520
524   523  O     -7.764571    4.926675    3.437495     1   524   525
525   524  H     -8.281022    4.882849    2.625963     2   523
526   525  H     -7.989200    5.779967    3.811189     2   523
527   526  O     11.320556   -4.779954   -4.095102     1   527   528
528   527  H     11.353953   -4.816783   -3.123194     2   526
529   528  H     10.786421   -5.579908   -4.318439     2   526
530   529  O      3.663817    0.132021    5.902022     1   530   531
531   530  H      3.355927   -0.755506    5.839277     2   529
532   531  H      3.407689    0.434443    6.802691     2   529
533   532  O     -9.743595    2.569579   -0.065742     1   533   534
534   533  H     -9.391118    3.418243    0.180475     2   532
535   534  H     -9.188604    1.862721    0.384712     2   532
536   535  O      4.008427    5.808769   -9.432881     1   536   537
537   536  H      3.924128    6.733588   -9.631282     2   535
538   537  H      4.768919    5.751355   -8.863810     2   535
539   538  O      0.400670   -6.898047    6.693042     1   539   540
540   539  H     -0.094943   -7.093810    5.895739     2   538
541   540  H      0.184595   -5.981499    6.886834     2   538
542   541  O      4.242333   -4.596779    3.790653     1   542   543
543   542  H      3.299130   -4.464073    3.868903     2   541
544   543  H      4.638469   -3.799171    3.498408     2   541
545   544  O     10.983141    6.564374   -7.693882     1   545   546
546   545  H     10.686568    6.444632   -8.634443     2   544
547   546  H     11.631192    7.214910   -7.806393     2   544
548   547  O     -5.731616   -9.811214   -5.549624     1   548   549
549   548  H     -5.454009  -10.134622   -4.673651     2   547
550   549  H     -5.899151  -10.618119   -6.046015     2   547
551   550  O     -9.645952   -6.861836   -9.278251     1   551   552
552   551  H     -9.126763   -7.197903   -8.607885     2   550
553   552  H    -10.410781   -6.473017   -8.856346     2   550
554   553  O      1.073396  -12.356819  -10.169709     1   554   555
555   554  H      0.510407  -12.184825  -10.945549     2   553
556   555  H      1.804078  -11.774928  -10.286422     2   553
557   556  O     -7.432830    1.389750   -7.035629     1   557   558
558   557  H     -7.848241    2.233577   -6.689531     2   556
559   558  H     -7.775423    0.748733   -6.418406     2   556
560   559  O      7.923873   -9.022626    3.790312     1   560   561
561   560  H      7.922346   -8.177025    3.332419     2   559
562   561  H      8.731154   -9.492251    3.493854     2   559
563   562  O     -5.382829   -3.590109   -8.391476     1   563   564
564   563  H     -5.433963   -3.514288   -9.356949     2   562
565   564  H     -5.215723   -2.731216   -8.009974     2   562
566   565  O      0.488284    3.614093   -2.534919     1   566   567
567   566  H      1.411734    3.290354   -2.662938     2   565
568   567  H      0.511091    4.109924   -1.712038     2   565
569   568  O     -6.659609   -2.529171    9.460214     1   569   570
570   569  H     -7.527603   -3.043908    9.418245     2   568
571   570  H     -5.918988   -3.171569    9.427862     2   568
572   571  O     11.871194   10.580951   -0.461695     1   572   573
573   572  H     12.780054   10.564884   -0.804295     2   571
574   573  H     11.356890   10.508615   -1.268173     2   571
575   574  O     -5.652174   -4.068976  -11.013774     1   575   576
576   575  H     -6.519893   -4.484191  -10.816513     2   574
577   576  H     -5.807319   -3.322880  -11.624917     2   574
578   577  O     -4.861600   11.193311   -8.943756     1   578   579
579   578  H     -4.501365   10.313343   -9.149639     2   577
580   579  H     -4.423138   11.570991   -8.147189     2   577
581   580  O      2.886929   12.281755   -4.836195     1   581   582
582   581  H      2.300625   12.140352   -5.626677     2   580
583   582  H      3.742543   12.489811   -5.215156     2   580
584   583  O     -7.348070   -6.570138    4.798961     1   584   585
585   584  H     -8.105573   -6.841738    5.368251     2   583
586   585  H     -7.702837   -6.015167    4.130829     2   583
587   586  O     -2.942670    6.332022   -4.937736     1   587   588
588   587  H     -2.217333    5.708738   -4.876339     2   586
589   588  H     -3.729338    5.796739   -5.095839     2   586
590   589  O    -10.768857    8.497244    9.532805     1   590   591
591   590  H    -10.265534    8.037773    8.820810     2   589
592   591  H    -10.498474    7.961502   10.275922     2   589
593   592  O      0.255609   -8.009258  -11.041190     1   593   594
594   593  H      0.180501   -8.007747  -10.083658     2   592
595   594  H      0.817356   -7.205010  -11.285756     2   592
596   595  O      5.839101  -11.309612   11.036165     1   596   597
597   596  H      4.975135  -11.733328   11.026225     2   595
598   597  H      6.083788  -11.188632   10.088901     2   595
599   598  O      8.482288   10.671347   -4.204395     1   599   600
600   599  H      7.934640   11.434495   -4.102585     2   598
601   600  H      8.000409   10.181781   -4.917144     2   598
602   601  O     11.326828   -9.402681   -9.894613     1   602   603
603   602  H     11.081035   -9.005383   -9.050528     2   601
604   603  H     12.296120   -9.411266   -9.932945     2   601
605   604  O     -9.032463    4.171913    6.093668     1   605   606
606   605  H     -9.523687    3.321435    6.304552     2   604
607   606  H     -8.662458    4.080441    5.204358     2   604
608   607  O      7.895862   -1.348059   11.764843     1   608   609
609   608  H      7.213014   -1.875309   12.289213     2   607
610   609  H      7.360170   -0.701667   11.339141     2   607
611   610  O    -10.794659   -3.431652    7.442251     1   611   612
612   611  H    -10.774188   -2.598821    6.967475     2   610
613   612  H     -9.994223   -3.531185    7.971186     2   610
614   613  O    -11.400251  -10.986600   12.000913     1   614   615
615   614  H    -12.177340  -11.415156   12.335732     2   613
616   615  H    -10.664498  -11.500299   12.328151     2   613
617   616  O    -11.509741   11.195929   -8.473058     1   617   618
618   617  H    -10.871228   11.411645   -9.157663     2   616
619   618  H    -11.192086   11.695762   -7.665453     2   616
620   619  O     -7.352260   12.351622   -3.227628     1   620   621
621   620  H     -6.934608   12.626229   -4.061858     2   619
622   621  H     -8.065957   13.007113   -3.179721     2   619
623   622  O     -7.473825    8.890550    0.074937     1   623   624
624   623  H     -7.580475    9.303169    0.916887     2   622
625   624  H     -7.158798    7.974770    0.208661     2   622
626   625  O     -1.265343    2.809647    6.268832     1   626   627
627   626  H     -0.348014    3.212153    6.302373     2   625
628   627  H     -1.661746    2.528108    7.156579     2   625
629   628  O     -6.423851   -5.627500   12.698071     1   629   630
630   629  H     -7.297944   -5.867068   12.463365     2   628
631   630  H     -5.812840   -6.279531   12.235359     2   628
632   631  O      7.090392  -11.834004   -5.319601     1   632   633
633   632  H      7.534694  -12.486775   -5.900886     2   631
634   633  H      7.593065  -11.027792   -5.460494     2   631
635   634  O     -4.746022    3.265472  -11.924959     1   635   636
636   635  H     -4.901586    2.432007  -11.453778     2   634
637   636  H     -4.846088    3.994635  -11.324127     2   634
638   637  O      8.541574    2.864003   10.833609     1   638   639
639   638  H      7.646950    2.488713   10.941775     2   637
640   639  H      8.709062    3.379114   11.667961     2   637
641   640  O     -7.265402    2.603863   -3.558794     1   641   642
642   641  H     -6.827480    2.873062   -4.363016     2   640
643   642  H     -7.841146    1.895456   -3.947576     2   640
644   643  O     10.337759   -0.157323   12.050882     1   644   645
645   644  H      9.474787   -0.586841   12.172088     2   643
646   645  H     10.385728    0.227488   11.169585     2   643
647   646  O      6.254375  -10.266707    8.465515     1   647   648
648   647  H      6.960358   -9.637150    8.549777     2   646
649   648  H      5.497562   -9.693111    8.534225     2   646
650   649  O     -0.401965  -11.808566    6.596241     1   650   651
651   650  H     -1.190741  -11.289122    6.351927     2   649
652   651  H     -0.633459  -12.661792    6.976938     2   649
653   652  O     -0.811468    2.286099  -11.671194     1   653   654
654   653  H     -1.052358    1.368684  -11.859318     2   652
655   654  H     -1.183024    2.820203  -12.419572     2   652
656   655  O    -11.735326   -5.789371    5.832233     1   656   657
657   656  H    -11.562011   -4.937717    6.286103     2   655
658   657  H    -12.635293   -6.120768    5.868178     2   655
659   658  O     -9.841413   -7.567424    5.946766     1   659   660
660   659  H    -10.324170   -8.186747    5.309598     2   658
661   660  H    -10.529196   -6.978065    6.203524     2   658
662   661  O      4.928520   -6.705091   -7.529272     1   662   663
663   662  H      4.155021   -7.024632   -7.993320     2   661
664   663  H      5.762721   -7.102250   -7.802009     2   661
665   664  O     -8.120695   -8.476607   10.370699     1   665   666
666   665  H     -8.919041   -9.084648   10.336470     2   664
667   666  H     -7.521900   -8.878809   10.911599     2   664
668   667  O     12.415878    4.005239   -6.959602     1   668   669
669   668  H     11.866641    4.871370   -7.053266     2   667
670   669  H     12.910628    4.198381   -6.178886     2   667
671   670  O      1.718788    1.602313  -12.208327     1   671   672
672   671  H      1.374996    1.237312  -12.972820     2   670
673   672  H      0.993303    2.046913  -11.818069     2   670
674   673  O     -1.414584    1.572721   -2.398699     1   674   675
675   674  H     -1.052563    1.031664   -3.134890     2   673
676   675  H     -0.831815    2.305068   -2.259955     2   673
677   676  O      7.519883   -1.763989   -9.483813     1   677   678
678   677  H      7.692507   -1.078484  -10.134152     2   676
679   678  H      7.827393   -2.609815   -9.863418     2   676
680   679  O      4.978151    6.241530    3.583399     1   680   681
681   680  H      5.235235    6.300256    4.534430     2   679
682   681  H      4.279778    6.891154    3.336988     2   679
683   682  O     -4.907709   11.659247    1.406182     1   683   684
684   683  H     -4.153973   11.096972    1.238291     2   682
685   684  H     -5.380414   11.096403    2.083801     2   682
686   685  O     -3.082917    1.667869   -5.340712     1   686   687
687   686  H     -3.000678    0.709866   -5.030175     2   685
688   687  H     -2.211935    2.060434   -5.486305     2   685
689   688  O    -10.856544   -5.128023    3.087019     1   689   690
690   689  H    -11.138012   -5.857736    3.708525     2   688
691   690  H    -11.536711   -5.206097    2.356904     2   688
692   691  O      9.778312   -9.038608    9.561392     1   692   693
693   692  H      9.172382   -8.581057    8.926974     2   691
694   693  H     10.559587   -9.313268    8.958706     2   691
695   694  O    -10.307524    5.925957   -2.499141     1   695   696
696   695  H     -9.369217    5.668562   -2.566363     2   694
697   696  H    -10.743365    5.159355   -2.066117     2   694
698   697  O      3.271039    8.476859  -10.226351     1   698   699
699   698  H      3.796749    9.295311  -10.416283     2   697
700   699  H      2.311555    8.624482  -10.001986     2   697
701   700  O     -1.080973  -10.949069    2.147259     1   701   702
702   701  H     -1.790671  -10.684005    1.573277     2   700
703   702  H     -1.444390  -11.492080    2.872717     2   700
704   703  O      8.438966  -10.255540   11.632477     1   704   705
705   704  H      8.695285  -10.140347   10.746760     2   703
706   705  H      7.548583  -10.640532   11.594917     2   703
707   706  O     -6.039604   12.324899   -5.672746     1   707   708
708   707  H     -5.136204   11.915958   -5.701962     2   706
709   708  H     -6.685615   11.889018   -6.213645     2   706
710   709  O      2.812849    1.738486    7.861246     1   710   711
711   710  H      3.479325    2.376113    8.073613     2   709
712   711  H      2.098809    2.211266    7.368380     2   709
713   712  O     11.407130   -9.566339   -4.294741     1   713   714
714   713  H     11.967610   -9.408836   -5.049558     2   712
715   714  H     11.651761  -10.351681   -3.780194     2   712
716   715  O     -4.732791   -4.653859    9.341992     1   716   717
717   716  H     -4.999893   -5.401107    9.890472     2   715
718   717  H     -4.718415   -5.007030    8.451505     2   715
719   718  O     10.640804    9.882649    6.551905     1   719   720
720   719  H     11.534652    9.640755    6.306999     2   718
721   720  H     10.589062    9.886121    7.527283     2   718
722   721  O     -6.765935    6.586231    9.894672     1   722   723
723   722  H     -6.499894    7.201602    9.178165     2   721
724   723  H     -6.640802    5.752440    9.469517     2   721
725   724  O      2.247967   -0.059575   -5.346635     1   725   726
726   725  H      2.536622   -0.363956   -6.175686     2   724
727   726  H      2.370531    0.891132   -5.293303     2   724
728   727  O      3.783609   -9.942055   -0.129991     1   728   729
729   728  H      2.848929   -9.701059   -0.083119     2   727
730   729  H      4.248579   -9.108648   -0.319711     2   727
731   730  O      9.406050  -11.370031    3.873670     1   731   732
732   731  H     10.338477  -11.493331    3.986627     2   730
733   732  H      9.100752  -12.030240    4.511496     2   730
734   733  O     -6.533151   -7.399910    8.305929     1   734   735
735   734  H     -7.052428   -8.149842    8.653268     2   733
736   735  H     -5.742657   -7.778054    8.011401     2   733
737   736  O     10.517547    0.896876   -9.154390     1   737   738
738   737  H     10.504028   -0.051933   -9.171878     2   736
739   738  H     11.425072    1.163597   -9.392271     2   736
740   739  O      9.716050  -11.912465  -10.069870     1   740   741
741   740  H     10.447859  -12.605264  -10.260286     2   739
742   741  H     10.198178  -11.045221  -10.135987     2   739
743   742  O     -4.505140    9.180772   -3.519508     1   743   744
744   743  H     -4.765994    8.894060   -4.412915     2   742
745   744  H     -5.372545    9.378097   -3.076704     2   742
746   745  O      0.074312    7.515142    2.693630     1   746   747
747   746  H     -0.119408    6.715801    3.250583     2   745
748   747  H     -0.090572    7.275541    1.781015     2   745
749   748  O     -0.549770   10.367443    7.423612     1   749   750
750   749  H     -0.461882   10.451218    8.372371     2   748
751   750  H      0.237800    9.968384    7.094389     2   748
752   751  O     -2.980286    7.315660   -2.171094     1   752   753
753   752  H     -3.405719    8.117346   -2.519044     2   751
754   753  H     -2.699752    6.807012   -2.892443     2   751
755   754  O     -4.958491    5.101331    4.067509     1   755   756
756   755  H     -5.867485    4.988435    3.767628     2   754
757   756  H     -4.805797    4.618351    4.830209     2   754
758   757  O     10.778141  -12.241203    6.356682     1   758   759
759   758  H     10.861143  -12.963471    5.715374     2   757
760   759  H      9.969145  -12.446308    6.894245     2   757
761   760  O      9.568432    8.923950   -7.486031     1   761   762
762   761  H      9.097324    9.785177   -7.466986     2   760
763   762  H      9.542118    8.510240   -8.349234     2   760
764   763  O     -9.631780   -2.135513   -2.823445     1   764   765
765   764  H    -10.423761   -1.947708   -2.270604     2   763
766   765  H     -9.607958   -3.105072   -2.790242     2   763
767   766  O     10.509263    1.602715   -6.319683     1   767   768
768   767  H     10.317991    1.111998   -7.133309     2   766
769   768  H     11.238792    2.202789   -6.537007     2   766
770   769  O     -7.584708    9.042374   -6.748367     1   770   771
771   770  H     -7.193093    8.379009   -6.144541     2   769
772   771  H     -7.829971    8.588291   -7.592874     2   769
773   772  O    -11.301723   -4.448570   -5.953747     1   773   774
774   773  H    -11.997074   -4.489022   -5.315201     2   772
775   774  H    -11.282758   -3.562313   -6.345470     2   772
776   775  O      3.617792    1.511099   -0.621998     1   776   777
777   776  H      4.004229    1.985594    0.091200     2   775
778   777  H      3.808135    2.012004   -1.421035     2   775
779   778  O      2.506578   -2.497600   -3.702232     1   779   780
780   779  H      2.020249   -2.262596   -2.880646     2   778
781   780  H      2.480472   -1.767746   -4.346636     2   778
782   781  O      7.299339   -3.943321    0.832299     1   782   783
783   782  H      7.272333   -4.921761    0.947573     2   781
784   783  H      8.229995   -3.820578    1.013848     2   781
785   784  O      2.143532   -9.974967   -4.276014     1   785   786
786   785  H      2.985446   -9.392414   -4.243208     2   784
787   786  H      2.492103  -10.913681   -4.329740     2   784
788   787  O     11.836036    3.549634   12.724406     1   788   789
789   788  H     11.932691    2.771932   13.307007     2   787
790   789  H     11.028513    4.053665   12.877369     2   787
791   790  O      1.043337    7.107476   -5.333727     1   791   792
792   791  H      0.476195    6.300042   -5.195891     2   790
793   792  H      1.889715    6.758273   -5.690914     2   790
794   793  O     -6.859242   -3.554879    4.921547     1   794   795
795   794  H     -7.024366   -4.188221    5.602287     2   793
796   795  H     -7.545528   -3.789394    4.235415     2   793
797   796  O     -1.037241    9.895641  -12.681051     1   797   798
798   797  H     -0.157814   10.046928  -12.304752     2   796
799   798  H     -1.512965   10.716639  -12.608316     2   796
800   799  O      3.867162  -12.149578    7.540534     1   800   801
801   800  H      4.747760  -11.951884    7.140770     2   799
802   801  H      3.248564  -11.587933    7.028208     2   799
803   802  O     -3.536537    5.211361    1.539188     1   803   804
804   803  H     -3.827892    5.338720    2.466690     2   802
805   804  H     -3.200197    4.293599    1.526162     2   802
806   805  O      4.937805  -10.867225   -2.980829     1   806   807
807   806  H      5.308456  -11.742097   -3.102128     2   805
808   807  H      4.371067  -10.985708   -2.197295     2   805
809   808  O      7.137729    8.806681   -5.531214     1   809   810
810   809  H      7.059569    7.874364   -5.245348     2   808
811   810  H      6.273379    9.119498   -5.519629     2   808
812   811  O     -6.631560    1.806902    5.872317     1   812   813
813   812  H     -7.062023    1.071361    5.407940     2   811
814   813  H     -5.907283    1.966432    5.282001     2   811
815   814  O     -8.561023    4.046702   -6.386773     1   815   816
816   815  H     -7.897417    4.750049   -6.460723     2   814
817   816  H     -9.344387    4.481685   -5.958907     2   814
818   817  O      8.257831  -12.353086    1.509745     1   818   819
819   818  H      7.314205  -12.012162    1.614674     2   817
820   819  H      8.708875  -11.914255    2.262805     2   817
821   820  O     -3.814729   -5.240756    6.368847     1   821   822
822   821  H     -2.921413   -4.965713    6.664942     2   820
823   822  H     -3.946054   -4.780374    5.531113     2   820
824   823  O      4.396816    3.056737    1.343974     1   824   825
825   824  H      5.112894    3.663784    1.400818     2   823
826   825  H      3.617905    3.649294    1.207854     2   823
827   826  O      9.149441   -9.882862   -6.112649     1   827   828
828   827  H      9.792351  -10.452335   -6.600329     2   826
829   828  H      9.669352   -9.535778   -5.383313     2   826
830   829  O      3.680249   -3.239369  -10.970603     1   830   831
831   830  H      3.739548   -3.343922  -10.020693     2   829
832   831  H      3.151175   -2.435227  -11.030029     2   829
833   832  O      3.842715   -9.002854   10.501163     1   833   834
834   833  H      3.078776   -9.453334   10.071663     2   832
835   834  H      4.325853   -9.695322   10.983032     2   832
836   835  O     -0.192819   -0.386657   -4.072174     1   836   837
837   836  H     -0.666196   -1.281223   -4.084225     2   835
838   837  H      0.615921   -0.455205   -4.643968     2   835
839   838  O      0.713889   12.053569   -0.281040     1   839   840
840   839  H      1.489108   11.986270   -0.808581     2   838
841   840  H      0.267446   11.293216   -0.606707     2   838
842   841  O      8.725770   10.859645    5.079943     1   842   843
843   842  H      9.475715   10.380490    5.543163     2   841
844   843  H      8.610931   10.388177    4.245020     2   841
845   844  O    -11.100024    3.450201    2.930874     1   845   846
846   845  H    -11.107749    4.339229    2.507955     2   844
847   846  H    -11.851094    3.470647    3.630744     2   844
848   847  O      7.256173    1.479676    0.804356     1   848   849
849   848  H      7.837704    1.645391    0.021622     2   847
850   849  H      6.749968    0.671906    0.535549     2   847
851   850  O     -0.001380  -10.737120  -12.209833     1   851   852
852   851  H      0.499915  -10.728538  -13.059337     2   850
853   852  H      0.021792   -9.760815  -11.892639     2   850
854   853  O      4.975229    1.991733   -9.391687     1   854   855
855   854  H      4.492648    2.542183  -10.074784     2   853
856   855  H      5.596972    1.498003   -9.897448     2   853
857   856  O      0.774217    2.838558    2.796216     1   857   858
858   857  H      0.061639    2.236886    2.907346     2   856
859   858  H      1.405425    2.672604    3.499970     2   856
860   859  O     -9.133836   12.242474    0.740388     1   860   861
861   860  H     -8.589350   11.650987    1.241237     2   859
862   861  H     -8.665581   13.083204    0.966417     2   859
863   862  O     10.019598    6.825969  -10.522228     1   863   864
864   863  H      9.455232    6.106732  -10.919735     2   862
865   864  H      9.474629    7.599698  -10.573607     2   862
866   865  O      6.694582   -4.434043   -4.172303     1   866   867
867   866  H      6.345312   -4.180652   -3.304485     2   865
868   867  H      7.476874   -3.876439   -4.292473     2   865
869   868  O     10.516432   -1.601798   -8.545866     1   869   870
870   869  H      9.620048   -1.882231   -8.778849     2   868
871   870  H     11.105624   -2.251610   -8.961379     2   868
872   871  O      3.327405   12.172505   10.381499     1   872   873
873   872  H      3.366871   12.304449    9.405308     2   871
874   873  H      3.306142   11.183980   10.555351     2   871
875   874  O      4.630972  -10.751149   -6.377768     1   875   876
876   875  H      4.704647  -10.104881   -5.676448     2   874
877   876  H      5.485579  -11.161997   -6.354692     2   874
878   877  O     -7.689856   -9.784174   -0.595704     1   878   879
879   878  H     -8.197389   -9.660218   -1.407375     2   877
880   879  H     -7.009732   -9.078786   -0.462016     2   877
881   880  O      8.190469    6.775688    5.136782     1   881   882
882   881  H      8.339778    7.242739    5.980434     2   880
883   882  H      7.547098    7.266393    4.641591     2   880
884   883  O      8.878440    8.201782   -2.949000     1   884   885
885   884  H      8.515791    9.064017   -3.097172     2   883
886   885  H      8.115704    7.748392   -2.527549     2   883
887   886  O      1.146695    0.209465  -14.342678     1   887   888
888   887  H      0.729735   -0.643463  -14.349959     2   886
889   888  H      1.973980    0.063821  -14.793434     2   886
890   889  O      7.014686    4.140005    1.706347     1   890   891
891   890  H      7.211137    3.231947    1.383116     2   889
892   891  H      7.269153    4.067537    2.655251     2   889
893   892  O    -12.150768  -10.250512   -6.986514     1   893   894
894   893  H    -12.657792   -9.433051   -7.172665     2   892
895   894  H    -11.246468  -10.106803   -7.142454     2   892
896   895  O     -9.958382    7.049671    6.703000     1   896   897
897   896  H    -10.053317    6.087236    6.632190     2   895
898   897  H     -9.156624    7.162803    6.174339     2   895
899   898  O     -1.394973    7.566724  -10.517068     1   899   900
900   899  H     -0.557327    7.942038  -10.341648     2   898
901   900  H     -1.349179    6.644888  -10.334258     2   898
902   901  O     10.902426   12.403359   -5.944285     1   902   903
903   902  H     10.998867   12.293775   -5.011409     2   901
904   903  H     11.690586   12.867648   -6.146209     2   901
905   904  O     -0.681486   -8.326609    3.928517     1   905   906
906   905  H     -0.712571   -7.665906    3.216806     2   904
907   906  H     -0.364158   -9.131007    3.524275     2   904
908   907  O      0.194939   -2.186836  -13.194146     1   908   909
909   908  H      1.008445   -2.020576  -12.670995     2   907
910   909  H     -0.207354   -3.004861  -12.900714     2   907
911   910  O     -5.335481    1.064621  -10.368732     1   911   912
912   911  H     -6.243725    0.884647  -10.022004     2   910
913   912  H     -4.771037    1.158662   -9.526907     2   910
914   913  O    -11.762039    1.199273  -10.410240     1   914   915
915   914  H    -10.967381    1.458265  -10.004199     2   913
916   915  H    -12.064770    1.976872  -10.976977     2   913
917   916  O     -0.556438   -4.855749   -5.978839     1   917   918
918   917  H      0.339952   -5.080040   -6.194178     2   916
919   918  H     -0.971260   -5.681374   -5.640388     2   916
920   919  O      7.821153   -7.592733    7.923496     1   920   921
921   920  H      7.993655   -8.172975    7.180934     2   919
922   921  H      6.902763   -7.564807    8.129707     2   919
923   922  O     -4.470304  -11.337731  -10.271094     1   923   924
924   923  H     -4.768636  -12.164507   -9.855187     2   922
925   924  H     -5.247058  -10.823948  -10.417237     2   922
926   925  O      8.486413   -1.771634   -1.296660     1   926   927
927   926  H      8.410332   -0.874704   -1.658765     2   925
928   927  H      7.631528   -1.996272   -0.879170     2   925
929   928  O     10.369404    3.338492    3.848448     1   929   930
930   929  H     10.158668    2.462891    3.419930     2   928
931   930  H     10.218049    4.049561    3.166010     2   928
932   931  O    -12.420741    0.761816    4.316392     1   932   933
933   932  H    -11.592169    0.841447    3.827932     2   931
934   933  H    -12.943856    0.064210    3.837881     2   931
935   934  O     -3.126423   -9.342200   10.234382     1   935   936
936   935  H     -3.212803  -10.267767   10.447709     2   934
937   936  H     -2.212760   -9.231289   10.017167     2   934
938   937  O     -3.004165  -10.209238    0.431337     1   938   939
939   938  H     -3.202494   -9.288102    0.457871     2   937
940   939  H     -3.877683  -10.618321    0.356708     2   937
941   940  O     10.849527   -9.084330    5.545156     1   941   942
942   941  H     11.083301   -9.412168    4.642201     2   940
943   942  H     10.696884   -8.132449    5.430668     2   940
944   943  O     -3.444667   -5.569725    2.306959     1   944   945
945   944  H     -3.856424   -6.377200    2.685481     2   943
946   945  H     -3.647121   -4.826734    2.894216     2   943
947   946  O     -0.362911    5.026069    4.024521     1   947   948
948   947  H      0.073845    4.359094    3.480134     2   946
949   948  H     -1.290443    4.844472    3.871465     2   946
950   949  O      7.450345    3.902972   -3.451649     1   950   951
951   950  H      8.422048    3.932882   -3.548485     2   949
952   951  H      7.163218    3.100239   -3.928513     2   949
953   952  O    -10.281906    1.884745    7.347882     1   953   954
954   953  H    -10.338359    0.987490    7.024363     2   952
955   954  H     -9.925288    1.878867    8.223016     2   952
956   955  O    -10.280153   -9.994932    4.316523     1   956   957
957   956  H    -10.019441   -9.939379    3.356204     2   955
958   957  H     -9.889425  -10.810437    4.712203     2   955
959   958  O      1.329674    1.035247    0.684690     1   959   960
960   959  H      2.107214    0.945970    0.077146     2   958
961   960  H      1.188865    1.865597    1.142637     2   958
962   961  O     -1.516331   -1.328195   12.864453     1   962   963
963   962  H     -1.690104   -1.608575   11.939625     2   961
964   963  H     -0.668577   -1.565892   13.074393     2   961
965   964  O     -9.263298    2.325232  -11.632710     1   965   966
966   965  H     -9.947555    1.784592  -11.994943     2   964
967   966  H     -8.803831    1.740121  -11.041381     2   964
968   967  O      6.738582    9.235310   -8.241155     1   968   969
969   968  H      6.875039    9.031510   -7.268213     2   967
970   969  H      6.362338    8.377960   -8.621949     2   967
971   970  O     -5.417247    7.763058    5.123130     1   971   972
972   971  H     -5.669646    7.562695    6.042619     2   970
973   972  H     -5.154076    6.799577    4.794531     2   970
974   973  O     -8.308954   -4.429016    2.795704     1   974   975
975   974  H     -9.233974   -4.499796    2.844765     2   973
976   975  H     -8.055785   -5.157853    2.199044     2   973
977   976  O      8.635310    2.911976   -9.820985     1   977   978
978   977  H      8.593225    3.523695   -9.122003     2   976
979   978  H      9.334496    2.315045   -9.619057     2   976
980   979  O     -5.503997   -9.163448    2.542970     1   980   981
981   980  H     -5.134611   -9.942794    2.992525     2   979
982   981  H     -5.405248   -8.455597    3.203895     2   979
983   982  O     -0.004381   -2.587155   10.315489     1   983   984
984   983  H     -0.736354   -2.943061    9.795938     2   982
985   984  H      0.862426   -2.937629    9.986342     2   982
986   985  O      1.365507   -5.056101    1.640170     1   986   987
987   986  H      0.809306   -4.481407    1.098436     2   985
988   987  H      2.156139   -5.227033    1.156870     2   985
989   988  O      5.826143    5.684888    6.392134     1   989   990
990   989  H      5.040077    5.827973    6.954364     2   988
991   990  H      6.580756    6.105353    6.800820     2   988
992   991  O     -3.074097   -2.149693    0.984104     1   992   993
993   992  H     -2.735103   -1.290476    0.734966     2   991
994   993  H     -3.699471   -1.830515    1.671530     2   991
995   994  O      5.198355   10.410758    2.005288     1   995   996
996   995  H      5.429619   11.390835    1.785476     2   994
997   996  H      4.196278   10.423799    2.163729     2   994
998   997  O      0.334776   -0.280386    6.632864     1   998   999
999   998  H      0.572266   -0.207705    7.554323     2   997
1000   999  H      1.013422   -0.913538    6.273677     2   997
1001  1000  O     -2.751559    0.510956   -0.130915     1  1001  1002
1002  1001  H     -2.188531    0.862368   -0.872896     2  1000
1003  1002  H     -3.449369    0.021633   -0.657153     2  1000
1004  1003  O      4.435787    9.536506   -4.982234     1  1004  1005
1005  1004  H      4.017597    9.270422   -5.801657     2  1003
1006  1005  H      3.872065    8.955126   -4.378314     2  1003
1007  1006  O     -4.329604   -8.905354    7.828101     1  1007  1008
1008  1007  H     -3.739426   -9.044217    8.557684     2  1006
1009  1008  H     -3.818953   -8.941385    7.020623     2  1006
1010  1009  O     11.330859  -11.329111   -2.192230     1  1010  1011
1011  1010  H     11.575106  -12.250324   -2.258335     2  1009
1012  1011  H     10.429129  -11.407061   -1.809632     2  1009
1013  1012  O     -7.952975    0.460184   -9.768346     1  1013  1014
1014  1013  H     -8.361937   -0.430046   -9.583905     2  1012
1015  1014  H     -7.946129    0.866811   -8.860257     2  1012
1016  1015  O      2.251309   11.673797    2.213691     1  1016  1017
1017  1016  H      1.988338   11.557889    1.321801     2  1015
1018  1017  H      1.809566   11.021485    2.798273     2  1015
1019  1018  O      6.450587    8.735602    4.419798     1  1019  1020
1020  1019  H      6.301811    9.282598    3.657419     2  1018
1021  1020  H      6.522935    9.278715    5.183039     2  1018
1022  1021  O     -1.332683   -0.406692  -11.608268     1  1022  1023
1023  1022  H     -1.002024   -0.548624  -10.701109     2  1021
1024  1023  H     -0.982225   -1.076624  -12.129057     2  1021
1025  1024  O      3.950165   -8.728643    4.296553     1  1025  1026
1026  1025  H      4.685597   -9.275672    4.479972     2  1024
1027  1026  H      3.322603   -9.279967    3.825518     2  1024
1028  1027  O    -12.132433    8.398534    5.488326     1  1028  1029
1029  1028  H    -11.535198    7.818718    5.984280     2  1027
1030  1029  H    -12.783761    7.821245    4.964064     2  1027
1031  1030  O      8.790537   11.531005    8.498149     1  1031  1032
1032  1031  H      9.463281   11.486280    9.205194     2  1030
1033  1032  H      8.626994   12.478508    8.475164     2  1030
1034  1033  O     -8.700104    0.447861   -4.669937     1  1034  1035
1035  1034  H     -9.516192    0.255101   -4.136004     2  1033
1036  1035  H     -8.022132   -0.232843   -4.496029     2  1033
1037  1036  O      8.301250    5.087636   -1.082814     1  1037  1038
1038  1037  H      7.737325    4.475445   -1.637107     2  1036
1039  1038  H      8.213820    4.694471   -0.218421     2  1036
1040  1039  O      3.787181    3.388930  -11.396718     1  1040  1041
1041  1040  H      2.967543    2.852691  -11.707311     2  1039
1042  1041  H      3.520281    4.212661  -10.874787     2  1039
1043  1042  O     -8.861977    0.467649   12.782617     1  1043  1044
1044  1043  H     -8.055903    0.079780   12.464981     2  1042
1045  1044  H     -8.828705    0.422219   13.802120     2  1042
1046  1045  O     -4.156979   -3.669107    4.273831     1  1046  1047
1047  1046  H     -3.976624   -2.718808    4.487749     2  1045
1048  1047  H     -5.133839   -3.647855    4.425272     2  1045
1049  1048  O      9.873594   -3.863011    7.783907     1  1049  1050
1050  1049  H      9.236063   -4.254618    8.403589     2  1048
1051  1050  H      9.595048   -3.012151    7.523034     2  1048
1052  1051  O     -5.103097   -0.953268    2.609736     1  1052  1053
1053  1052  H     -5.213707   -0.110561    2.087931     2  1051
1054  1053  H     -4.682201   -0.715790    3.431799     2  1051
1055  1054  O     10.904180    6.191196    4.558353     1  1055  1056
1056  1055  H     11.218678    5.667731    5.309112     2  1054
1057  1056  H     10.018419    6.447735    4.861285     2  1054
1058  1057  O     12.097550    2.238137    6.648301     1  1058  1059
1059  1058  H     12.110758    1.731043    5.840489     2  1057
1060  1059  H     13.025442    2.093156    6.896373     2  1057
1061  1060  O     12.393757    8.245628  -11.834858     1  1061  1062
1062  1061  H     12.815270    7.674748  -12.537232     2  1060
1063  1062  H     11.737951    7.720006  -11.362348     2  1060
1064  1063  O     -7.602396    4.223178    8.376260     1  1064  1065
1065  1064  H     -8.091625    4.232183    7.537400     2  1063
1066  1065  H     -8.031363    3.522814    8.899721     2  1063
1067  1066  O      8.963346   -2.813908   -4.280095     1  1067  1068
1068  1067  H      8.911585   -2.501363   -3.373848     2  1066
1069  1068  H      9.877699   -3.138849   -4.417576     2  1066
1070  1069  O    -10.395318    1.324200   -2.525421     1  1070  1071
1071  1070  H     -9.896649    1.708023   -1.792409     2  1069
1072  1071  H    -11.108619    1.947457   -2.580841     2  1069
1073  1072  O     -2.337118    4.717152  -13.291716     1  1073  1074
1074  1073  H     -3.117199    4.798660  -13.827211     2  1072
1075  1074  H     -2.057412    5.640063  -13.261894     2  1072
1076  1075  O     -2.867713   -5.205698  -10.307701     1  1076  1077
1077  1076  H     -3.697779   -4.837990  -10.609449     2  1075
1078  1077  H     -3.080917   -5.891778   -9.555411     2  1075
1079  1078  O      7.121810    7.096320    2.011881     1  1079  1080
1080  1079  H      7.334269    6.187658    1.820095     2  1078
1081  1080  H      6.439549    6.929221    2.688012     2  1078
1082  1081  O     -1.322684   -2.988292   -4.118002     1  1082  1083
1083  1082  H     -1.021410   -3.599104   -4.783818     2  1081
1084  1083  H     -1.655860   -3.572773   -3.378495     2  1081
1085  1084  O     -0.294048    3.173873   -9.169575     1  1085  1086
1086  1085  H     -0.882143    3.962882   -9.296436     2  1084
1087  1086  H     -0.426074    2.755328  -10.082392     2  1084
1088  1087  O     -2.728763    9.653401    1.063366     1  1088  1089
1089  1088  H     -2.508735    8.764120    1.291489     2  1087
1090  1089  H     -2.692494    9.690646    0.066385     2  1087
1091  1090  O     -9.115930   12.148039   11.096438     1  1091  1092
1092  1091  H     -9.324175   11.966432   10.150983     2  1090
1093  1092  H     -9.067848   11.316757   11.559147     2  1090
1094  1093  O     11.255734    4.925134   -0.359790     1  1094  1095
1095  1094  H     11.510040    5.228401    0.519878     2  1093
1096  1095  H     11.077952    5.725915   -0.929568     2  1093
1097  1096  O     -2.364370   -8.400093   -8.578949     1  1097  1098
1098  1097  H     -2.581970   -8.538811   -9.458793     2  1096
1099  1098  H     -2.168468   -9.286230   -8.218483     2  1096
1100  1099  O      5.908291  -10.784388    4.187366     1  1100  1101
1101  1100  H      6.244168  -11.355371    4.939422     2  1099
1102  1101  H      6.657106  -10.249090    3.902988     2  1099
1103  1102  O     -9.117064    5.225392  -10.594410     1  1103  1104
1104  1103  H     -9.508687    4.332893  -10.641993     2  1102
1105  1104  H     -8.278375    5.130058  -11.101373     2  1102
1106  1105  O     -6.643263   -0.355139   11.215632     1  1106  1107
1107  1106  H     -5.776948   -0.028361   11.325461     2  1105
1108  1107  H     -6.580276   -1.252174   10.803301     2  1105
1109  1108  O     -6.034948    1.096389   -1.429683     1  1109  1110
1110  1109  H     -6.389483    0.143755   -1.437920     2  1108
1111  1110  H     -6.700230    1.545070   -1.991451     2  1108
1112  1111  O      3.346707   -3.573856    8.155574     1  1112  1113
1113  1112  H      4.345039   -3.602483    8.143666     2  1111
1114  1113  H      3.074167   -4.466059    8.193064     2  1111
1115  1114  O      2.169242    3.858012   -7.817010     1  1115  1116
1116  1115  H      1.498661    3.758612   -8.505547     2  1114
1117  1116  H      2.746142    4.623236   -8.137597     2  1114
1118  1117  O      1.590707   -9.777328    8.870794     1  1118  1119
1119  1118  H      1.489376  -10.687063    8.672328     2  1117
1120  1119  H      2.119211   -9.418237    8.172488     2  1117
1121  1120  O     -8.242467    0.472421    0.790347     1  1121  1122
1122  1121  H     -7.989074   -0.371752    0.363839     2  1120
1123  1122  H     -8.553316    0.159858    1.634353     2  1120
1124  1123  O     11.754974   -5.775202    1.894640     1  1124  1125
1125  1124  H     11.110561   -5.053561    1.696287     2  1123
1126  1125  H     11.204712   -6.540067    1.915561     2  1123
1127  1126  O     -3.583321    4.668191    6.341164     1  1127  1128
1128  1127  H     -4.062207    4.327955    7.103507     2  1126
1129  1128  H     -2.908371    3.997962    6.216161     2  1126
1130  1129  O     -1.876499   -7.295563   -5.120316     1  1130  1131
1131  1130  H     -1.477572   -8.138884   -5.109999     2  1129
1132  1131  H     -2.787101   -7.404195   -5.457096     2  1129
1133  1132  O    -11.825367   -1.065093   -1.570286     1  1133  1134
1134  1133  H    -11.579481   -0.872358   -0.663779     2  1132
1135  1134  H    -11.671545   -0.189952   -2.036946     2  1132
1136  1135  O      1.366059    7.989851   -0.209539     1  1136  1137
1137  1136  H      0.795022    8.723215   -0.475722     2  1135
1138  1137  H      1.522205    7.506553   -1.027514     2  1135
1139  1138  O    -11.020100   -0.725540    6.797795     1  1139  1140
1140  1139  H    -11.708663   -0.632418    6.139786     2  1138
1141  1140  H    -11.353219   -0.576697    7.750215     2  1138
1142  1141  O     -3.007551   -7.393256    0.163551     1  1142  1143
1143  1142  H     -2.713361   -7.383173   -0.757969     2  1141
1144  1143  H     -2.217563   -7.463014    0.708647     2  1141
1145  1144  O     -9.084223    6.875032   11.126962     1  1145  1146
1146  1145  H     -8.279395    6.917863   10.614332     2  1144
1147  1146  H     -9.342035    5.957578   11.280894     2  1144
1148  1147  O     -6.319684    6.268592    0.463926     1  1148  1149
1149  1148  H     -5.954858    5.964263   -0.357538     2  1147
1150  1149  H     -5.811621    5.809622    1.157741     2  1147
1151  1150  O     11.124983   10.891234   -3.136613     1  1151  1152
1152  1151  H     11.686830   10.270297   -3.672382     2  1150
1153  1152  H     10.240171   10.698446   -3.404452     2  1150
1154  1153  O      8.425500    6.786966    8.058811     1  1154  1155
1155  1154  H      9.286401    6.991098    8.400222     2  1153
1156  1155  H      8.399440    5.839492    8.107540     2  1153
1157  1156  O     -0.874313   -6.523999    1.826580     1  1157  1158
1158  1157  H     -1.507823   -5.834160    2.242851     2  1156
1159  1158  H      0.018819   -6.107210    1.781496     2  1156
1160  1159  O      1.170415   -4.839611   -8.722910     1  1160  1161
1161  1160  H      0.378691   -4.240876   -8.587759     2  1159
1162  1161  H      1.849660   -4.367402   -8.286389     2  1159
1163  1162  O     -4.910918   -7.093064   10.665075     1  1163  1164
1164  1163  H     -4.070953   -7.523562   10.653429     2  1162
1165  1164  H     -5.441232   -7.595573    9.983160     2  1162
1166  1165  O      2.064125  -10.702378    6.272515     1  1166  1167
1167  1166  H      2.073951  -10.744206    5.321485     2  1165
1168  1167  H      1.218447  -11.233893    6.547438     2  1165
1169  1168  O     11.294221   -3.882465  -10.192662     1  1169  1170
1170  1169  H     10.425092   -4.025195  -10.634619     2  1168
1171  1170  H     11.697303   -3.070873  -10.573741     2  1168
1172  1171  O     12.336441    6.068364    2.321266     1  1172  1173
1173  1172  H     11.728758    6.206002    3.037717     2  1171
1174  1173  H     12.710328    6.905077    2.122974     2  1171
1175  1174  O      2.630319    7.878062   -3.223584     1  1175  1176
1176  1175  H      3.217644    7.277236   -2.777855     2  1174
1177  1176  H      1.967239    7.350042   -3.765751     2  1174
1178  1177  O    -11.812859    8.318073   -8.222106     1  1178  1179
1179  1178  H    -11.912865    9.288726   -8.397189     2  1177
1180  1179  H    -11.183041    7.894115   -8.829514     2  1177
1181  1180  O      6.100001    6.417837   -4.417871     1  1181  1182
1182  1181  H      5.906276    6.953274   -3.620174     2  1180
1183  1182  H      6.484561    5.604205   -4.020937     2  1180
1184  1183  O      7.861924    4.453255   -6.608161     1  1184  1185
1185  1184  H      8.311316    3.604453   -6.311632     2  1183
1186  1185  H      8.024950    5.013185   -5.807302     2  1183
1187  1186  O     10.284364   -0.807412    7.889653     1  1187  1188
1188  1187  H     10.661048   -1.025989    7.011071     2  1186
1189  1188  H     10.978600   -0.976164    8.563153     2  1186
1190  1189  O     -7.960655   -3.904425   -7.387451     1  1190  1191
1191  1190  H     -7.134913   -3.902813   -7.905958     2  1189
1192  1191  H     -8.297157   -4.814115   -7.657805     2  1189
1193  1192  O     11.799322    9.368928   -5.580504     1  1193  1194
1194  1193  H     11.095458    9.225675   -6.246098     2  1192
1195  1194  H     11.850728    8.634085   -4.993478     2  1192
1196  1195  O      5.254394   -0.673329    0.023843     1  1196  1197
1197  1196  H      4.657517    0.044268   -0.272733     2  1195
1198  1197  H      4.810478   -1.496906   -0.279503     2  1195
1199  1198  O     -8.865642   -9.328059    7.490654     1  1199  1200
1200  1199  H     -9.382573   -9.267662    8.230456     2  1198
1201  1200  H     -8.976085   -8.540777    7.026216     2  1198
1202  1201  O      5.381294   11.089563   -2.859188     1  1202  1203
1203  1202  H      4.826468   11.074377   -3.697792     2  1201
1204  1203  H      4.793090   10.929641   -2.132145     2  1201
1205  1204  O      7.335214    5.762958  -11.333023     1  1205  1206
1206  1205  H      6.860340    6.533478  -11.636468     2  1204
1207  1206  H      7.032487    5.006443  -11.900190     2  1204
1208  1207  O     -4.501446   -1.374977  -11.236367     1  1208  1209
1209  1208  H     -4.919012   -0.521228  -11.030054     2  1207
1210  1209  H     -3.715507   -1.248750  -11.750334     2  1207
1211  1210  O     -8.770116    7.477035   -8.809587     1  1211  1212
1212  1211  H     -8.998295    7.978523   -9.604266     2  1210
1213  1212  H     -8.694230    6.585323   -9.197255     2  1210
1214  1213  O      6.554561    0.757926   10.204329     1  1214  1215
1215  1214  H      7.099270    0.833768    9.371210     2  1213
1216  1215  H      5.715464    1.027814    9.935640     2  1213
1217  1216  O      1.097514   -5.924795   -2.732143     1  1217  1218
1218  1217  H      1.476774   -5.961043   -3.631187     2  1216
1219  1218  H      0.921639   -6.832836   -2.457789     2  1216
1220  1219  O     -7.778734   -7.335953   -7.108666     1  1220  1221
1221  1220  H     -7.214885   -6.707694   -6.614561     2  1219
1222  1221  H     -7.465113   -8.244223   -6.805039     2  1219
1223  1222  O     -1.800954   -7.326767   -2.427839     1  1223  1224
1224  1223  H     -1.874561   -7.286469   -3.393229     2  1222
1225  1224  H     -0.926177   -7.731714   -2.264859     2  1222
1226  1225  O      7.403456   -4.279583   12.501967     1  1226  1227
1227  1226  H      8.270961   -4.583645   12.775294     2  1225
1228  1227  H      6.739624   -4.808288   12.954055     2  1225
1229  1228  O     10.985232   -7.712805   -2.008343     1  1229  1230
1230  1229  H     11.310831   -8.241867   -2.762155     2  1228
1231  1230  H     11.535615   -6.940198   -1.991626     2  1228
1232  1231  O     -6.805974   10.072079  -12.480197     1  1232  1233
1233  1232  H     -7.410578    9.439081  -12.965813     2  1231
1234  1233  H     -6.801735   10.829755  -13.108569     2  1231
1235  1234  O     -3.899769   -0.695505   10.987857     1  1235  1236
1236  1235  H     -4.197860   -1.633988   11.303893     2  1234
1237  1236  H     -3.758408   -0.823251   10.036552     2  1234
1238  1237  O    -11.236401    5.786665  -12.986787     1  1238  1239
1239  1238  H    -10.802500    5.626523  -13.869735     2  1237
1240  1239  H    -10.560160    5.842778  -12.290759     2  1237
1241  1240  O     -7.526743    5.493612   -2.786284     1  1241  1242
1242  1241  H     -7.561192    4.529085   -2.954476     2  1240
1243  1242  H     -6.622374    5.494979   -2.365411     2  1240
1244  1243  O      1.553329   -3.305797    3.776107     1  1244  1245
1245  1244  H      1.677271   -2.368012    3.428851     2  1243
1246  1245  H      1.162267   -3.858110    3.059688     2  1243
1247  1246  O      2.611058  -10.522713   -8.403321     1  1247  1248
1248  1247  H      2.294697   -9.615959   -8.324186     2  1246
1249  1248  H      3.422722  -10.601053   -7.892948     2  1246
1250  1249  O    -12.192622    1.912082    0.834457     1  1250  1251
1251  1250  H    -11.630797    2.229386    0.149420     2  1249
1252  1251  H    -11.764545    2.134819    1.679221     2  1249
1253  1252  O     -0.294660    9.810320   -1.684382     1  1253  1254
1254  1253  H     -1.210527   10.073305   -1.807014     2  1252
1255  1254  H      0.075895    9.994919   -2.581240     2  1252
1256  1255  O      8.791130    0.820097   -1.703921     1  1256  1257
1257  1256  H      8.850202    1.053150   -2.653826     2  1255
1258  1257  H      9.527963    1.206705   -1.229934     2  1255
1259  1258  O     -8.716684    9.141145   12.892084     1  1259  1260
1260  1259  H     -8.959292    8.395418   12.391364     2  1258
1261  1260  H     -8.182029    8.746312   13.607494     2  1258
1262  1261  O    -10.394070   10.723626   -1.369249     1  1262  1263
1263  1262  H     -9.834239   10.184764   -1.977062     2  1261
1264  1263  H     -9.871561   11.117475   -0.641961     2  1261
1265  1264  O     -9.018144  -10.605951   -6.380433     1  1265  1266
1266  1265  H     -8.734244  -10.203545   -5.577682     2  1264
1267  1266  H     -8.598274  -11.500096   -6.479170     2  1264
1268  1267  O     11.304736    9.291588    9.506693     1  1268  1269
1269  1268  H     12.213929    9.016303    9.443315     2  1267
1270  1269  H     11.348286   10.235368    9.705428     2  1267
1271  1270  O      4.954886    0.457639    3.273523     1  1271  1272
1272  1271  H      4.671048    1.300379    2.856418     2  1270
1273  1272  H      5.101437    0.642460    4.211212     2  1270
1274  1273  O      2.431746   -2.863135   -7.303854     1  1274  1275
1275  1274  H      3.192029   -2.958623   -6.672966     2  1273
1276  1275  H      2.628307   -2.106479   -7.773687     2  1273
1277  1276  O     10.040708    2.320345    0.111996     1  1277  1278
1278  1277  H     10.792172    2.097773    0.720971     2  1276
1279  1278  H     10.201911    3.260747   -0.102333     2  1276
1280  1279  O      7.860153   -0.097040  -11.652479     1  1280  1281
1281  1280  H      8.561239    0.585202  -11.770153     2  1279
1282  1281  H      7.445443   -0.030020  -12.495984     2  1279
1283  1282  O     -6.940509    9.760883   -2.681021     1  1283  1284
1284  1283  H     -7.009296   10.663796   -2.928780     2  1282
1285  1284  H     -6.927934    9.684389   -1.750202     2  1282
1286  1285  O     -2.517643  -11.474756    8.611164     1  1286  1287
1287  1286  H     -2.148994  -10.817448    8.060008     2  1285
1288  1287  H     -1.768559  -11.623314    9.178860     2  1285
1289  1288  O    -11.692795   -1.769560  -10.600551     1  1289  1290
1290  1289  H    -10.890680   -1.582471  -10.097955     2  1288
1291  1290  H    -12.112735   -0.925061  -10.685151     2  1288
1292  1291  O      4.538583  -10.481261  -10.214703     1  1292  1293
1293  1292  H      3.903147  -11.139308   -9.948891     2  1291
1294  1293  H      5.322118  -10.666363   -9.715246     2  1291
1295  1294  O      2.094731  -10.832430    3.503014     1  1295  1296
1296  1295  H      2.472964  -11.674611    3.114667     2  1294
1297  1296  H      1.243767  -10.843892    3.093912     2  1294
1298  1297  O      4.067379    6.168428   -1.588420     1  1298  1299
1299  1298  H      3.694807    5.818702   -0.728361     2  1297
1300  1299  H      4.819775    6.747601   -1.424030     2  1297
1301  1300  O      8.076055   -1.348101    4.268910     1  1301  1302
1302  1301  H      7.595442   -1.197404    5.100376     2  1300
1303  1302  H      7.604133   -2.029613    3.758423     2  1300
1304  1303  O      9.362111   -6.622294   -5.341958     1  1304  1305
1305  1304  H      8.701227   -7.081428   -4.753276     2  1303
1306  1305  H      8.957790   -5.852361   -5.706997     2  1303
1307  1306  O      3.539050   -0.332769   -7.976194     1  1307  1308
1308  1307  H      3.827501    0.490833   -8.556042     2  1306
1309  1308  H      4.330392   -0.743931   -7.745787     2  1306
1310  1309  O     -3.076891    7.522834    8.433631     1  1310  1311
1311  1310  H     -3.039170    6.553294    8.665632     2  1309
1312  1311  H     -2.630249    7.582560    7.574412     2  1309
1313  1312  O      2.819901   -4.892734   -0.787613     1  1313  1314
1314  1313  H      2.046905   -5.205629   -1.221116     2  1312
1315  1314  H      2.665157   -3.886540   -0.730081     2  1312
1316  1315  O     10.206767    4.572843   -3.124864     1  1316  1317
1317  1316  H      9.972480    5.083301   -3.860844     2  1315
1318  1317  H      9.883777    4.885741   -2.294374     2  1315
1319  1318  O     -3.733363    8.632996   -9.538944     1  1319  1320
1320  1319  H     -2.872589    8.532059   -9.967472     2  1318
1321  1320  H     -4.342151    8.431777  -10.320104     2  1318
1322  1321  O     12.289249   -6.899543   10.474104     1  1322  1323
1323  1322  H     11.593132   -6.966045   11.142032     2  1321
1324  1323  H     11.951470   -6.117203   10.018781     2  1321
1325  1324  O     -4.570147   -7.680836   -6.221230     1  1325  1326
1326  1325  H     -4.303694   -8.026976   -7.091469     2  1324
1327  1326  H     -5.282166   -8.197490   -5.858937     2  1324
1328  1327  O     -8.219578   -4.832539  -10.516014     1  1328  1329
1329  1328  H     -8.983809   -4.545203  -11.095432     2  1327
1330  1329  H     -8.511078   -5.654724  -10.150605     2  1327
1331  1330  O     -9.803046   -9.463141   -2.494222     1  1331  1332
1332  1331  H    -10.445389   -9.115981   -1.934811     2  1330
1333  1332  H    -10.154293  -10.304269   -2.768048     2  1330
1334  1333  O      0.320313   -7.723015   -7.897850     1  1334  1335
1335  1334  H      0.560520   -6.943382   -8.418867     2  1333
1336  1335  H     -0.634213   -7.642032   -7.740904     2  1333
1337  1336  O    -12.007025    3.558852   -2.110553     1  1337  1338
1338  1337  H    -12.758704    3.593390   -2.718013     2  1336
1339  1338  H    -12.331285    3.968034   -1.323583     2  1336
1340  1339  O      3.770704    8.162101   -7.277909     1  1340  1341
1341  1340  H      3.938887    7.255211   -6.979548     2  1339
1342  1341  H      3.897356    8.176466   -8.265117     2  1339
1343  1342  O     -9.130439   -2.594403    0.765739     1  1343  1344
1344  1343  H     -9.277011   -3.088235   -0.037953     2  1342
1345  1344  H     -8.585015   -3.125740    1.339254     2  1342
1346  1345  O      4.086879    9.970190    7.496260     1  1346  1347
1347  1346  H      4.080298   10.931549    7.457036     2  1345
1348  1347  H      5.046213    9.826649    7.316909     2  1345
1349  1348  O     -2.837912    8.507335   -6.672495     1  1349  1350
1350  1349  H     -2.757696    7.851360   -5.942154     2  1348
1351  1350  H     -3.427728    8.107733   -7.308391     2  1348
1352  1351  O     -6.044469   -5.404920   -6.296227     1  1352  1353
1353  1352  H     -5.393136   -5.872874   -5.761206     2  1351
1354  1353  H     -5.574260   -5.051026   -7.090644     2  1351
1355  1354  O     -2.979759    8.593813   10.779343     1  1355  1356
1356  1355  H     -2.805957    8.238969    9.914615     2  1354
1357  1356  H     -3.203814    7.840472   11.400803     2  1354
1358  1357  O     -6.159656    5.550584   -6.621323     1  1358  1359
1359  1358  H     -5.950221    5.116204   -5.773341     2  1357
1360  1359  H     -6.270085    6.420149   -6.343257     2  1357
1361  1360  O     -4.185742    6.128807   11.653224     1  1361  1362
1362  1361  H     -3.986821    5.469764   12.267808     2  1360
1363  1362  H     -5.101748    6.316973   11.461489     2  1360
1364  1363  O     -0.284469    4.479163    0.055153     1  1364  1365
1365  1364  H     -0.644166    5.365263    0.041527     2  1363
1366  1365  H     -0.909178    3.901369    0.520934     2  1363
1367  1366  O      6.398507    8.808375    0.156243     1  1367  1368
1368  1367  H      6.538912    8.078712    0.754872     2  1366
1369  1368  H      5.862251    9.479317    0.667764     2  1366
1370  1369  O      0.182773    6.776577    9.906268     1  1370  1371
1371  1370  H     -0.343744    6.070546   10.246675     2  1369
1372  1371  H      0.185351    6.639859    8.945780     2  1369
1373  1372  O     -6.615122  -10.996155   11.066580     1  1373  1374
1374  1373  H     -6.098519  -11.083489   10.251048     2  1372
1375  1374  H     -7.204830  -11.750341   11.082004     2  1372
1376  1375  O      0.886264    9.451829   -9.541092     1  1376  1377
1377  1376  H      0.368624    9.364332   -8.738480     2  1375
1378  1377  H      0.969648   10.411237   -9.661941     2  1375
1379  1378  O      8.105771   -6.095780   -9.392994     1  1379  1380
1380  1379  H      7.272641   -6.412616   -9.055690     2  1378
1381  1380  H      8.796621   -6.809184   -9.382664     2  1378
1382  1381  O     -2.173871    1.920413   11.814371     1  1382  1383
1383  1382  H     -1.813128    1.084710   12.037892     2  1381
1384  1383  H     -3.056201    2.070035   12.247692     2  1381
1385  1384  O      1.923410   -1.041487  -11.231974     1  1385  1386
1386  1385  H      1.278820   -0.931597  -10.500728     2  1384
1387  1386  H      1.946722   -0.209706  -11.720487     2  1384
1388  1387  O    -12.080468    8.427973   -3.229977     1  1388  1389
1389  1388  H    -12.536279    8.009260   -2.516591     2  1387
1390  1389  H    -11.201666    8.007566   -3.194887     2  1387
1391  1390  O     -8.463078   -6.528417    0.720940     1  1391  1392
1392  1391  H     -9.133254   -7.305176    0.935470     2  1390
1393  1392  H     -7.614026   -7.094568    0.509771     2  1390
1394  1393  O     11.420610    1.780102   10.286997     1  1394  1395
1395  1394  H     11.860758    2.315105   10.910293     2  1393
1396  1395  H     11.578440    2.171852    9.440097     2  1393
1397  1396  O     -5.514339   -8.008313   -2.423667     1  1397  1398
1398  1397  H     -4.839300   -7.380069   -2.678389     2  1396
1399  1398  H     -5.593793   -7.876723   -1.468680     2  1396
1400  1399  O      6.563411   -5.030812    5.463001     1  1400  1401
1401  1400  H      5.822653   -4.986562    4.829479     2  1399
1402  1401  H      7.329124   -4.844801    4.950518     2  1399
1403  1402  O     -5.329331   10.080887    3.787537     1  1403  1404
1404  1403  H     -5.333173    9.288216    4.326069     2  1402
1405  1404  H     -5.349079   10.814156    4.369193     2  1402
1406  1405  O     -8.269973    7.583379    4.557114     1  1406  1407
1407  1406  H     -8.920195    8.076260    4.051050     2  1405
1408  1407  H     -7.362363    7.978463    4.459933     2  1405
1409  1408  O      5.927526   -4.119634  -12.390609     1  1409  1410
1410  1409  H      5.261807   -3.721986  -11.794827     2  1408
1411  1410  H      5.497385   -4.780798  -12.936362     2  1408
1412  1411  O      7.043889   -8.466036   -8.023785     1  1412  1413
1413  1412  H      6.781163   -9.246509   -8.413507     2  1411
1414  1413  H      7.556068   -8.684712   -7.236998     2  1411
1415  1414  O    -10.570688    5.168740   -5.050631     1  1415  1416
1416  1415  H    -10.472973    5.508942   -4.142143     2  1414
1417  1416  H    -10.741940    5.938022   -5.559161     2  1414
1418  1417  O      0.055511   -0.764713   -0.946750     1  1418  1419
1419  1418  H     -0.289255   -0.609641   -1.832353     2  1417
1420  1419  H      0.151994    0.105426   -0.502779     2  1417
1421  1420  O      7.899506   -3.848981    9.897443     1  1421  1422
1422  1421  H      7.652705   -4.445293   10.616307     2  1420
1423  1422  H      8.023423   -3.018151   10.382033     2  1420
1424  1423  O     -6.665004   -1.362151    6.843770     1  1424  1425
1425  1424  H     -6.786239   -2.057245    6.218496     2  1423
1426  1425  H     -6.736013   -1.738897    7.726521     2  1423
1427  1426  O     10.641064  -11.477640   12.572247     1  1427  1428
1428  1427  H     10.505369  -12.008760   13.338183     2  1426
1429  1428  H      9.764932  -11.047489   12.345316     2  1426
1430  1429  O      9.114371    9.514170    2.676797     1  1430  1431
1431  1430  H      8.925055   10.017450    1.900449     2  1429
1432  1431  H      8.595792    8.698866    2.620359     2  1429
1433  1432  O    -10.708100   -3.977642  -12.143993     1  1433  1434
1434  1433  H    -11.080956   -3.346632  -11.547099     2  1432
1435  1434  H    -11.277338   -4.814718  -12.043782     2  1432
1436  1435  O     10.025194   -4.764868   12.797529     1  1436  1437
1437  1436  H     10.736955   -4.154480   12.531722     2  1435
1438  1437  H     10.259012   -5.671003   12.443362     2  1435
1439  1438  O      6.552810    3.357378  -12.527901     1  1439  1440
1440  1439  H      5.637556    3.418730  -12.254298     2  1438
1441  1440  H      6.952176    2.667892  -11.978799     2  1438
1442  1441  O      0.600300    6.834907    6.850004     1  1442  1443
1443  1442  H     -0.200001    6.652934    6.383300     2  1441
1444  1443  H      1.058502    7.566819    6.414391     2  1441
1445  1444  O      9.116509    0.859447    3.029478     1  1445  1446
1446  1445  H      8.526513    0.914844    2.271269     2  1444
1447  1446  H      8.670824    0.218852    3.573013     2  1444
1448  1447  O     -1.785002  -11.698718   -1.606766     1  1448  1449
1449  1448  H     -2.188401  -11.215440   -0.923106     2  1447
1450  1449  H     -1.011674  -12.099722   -1.268450     2  1447
1451  1450  O     -4.722165    4.295415   -8.874695     1  1451  1452
1452  1451  H     -4.482050    3.417811   -8.525183     2  1450
1453  1452  H     -5.247555    4.646300   -8.124957     2  1450
1454  1453  O     -5.533565    8.505242    7.966240     1  1454  1455
1455  1454  H     -4.671179    8.146332    8.305137     2  1453
1456  1455  H     -5.736242    9.314839    8.375049     2  1453
1457  1456  O     -4.828005  -10.738775   -3.093733     1  1457  1458
1458  1457  H     -5.469306  -11.345596   -2.661095     2  1456
1459  1458  H     -4.981815   -9.855360   -2.712187     2  1456
1460  1459  O     -9.078846    5.407946  -14.580254     1  1460  1461
1461  1460  H     -8.954400    5.373000  -15.513643     2  1459
1462  1461  H     -8.501946    4.723453  -14.185106     2  1459
1463  1462  O     -2.776037   10.683016   -1.712013     1  1463  1464
1464  1463  H     -3.365911   10.509221   -2.459720     2  1462
1465  1464  H     -2.775381   11.639343   -1.779031     2  1462
1466  1465  O     -4.298965  -11.313415    4.103480     1  1466  1467
1467  1466  H     -3.647414  -11.975492    3.916991     2  1465
1468  1467  H     -5.018622  -11.794798    4.483894     2  1465
1469  1468  O      5.478788   10.608143  -11.666553     1  1469  1470
1470  1469  H      6.175489   11.187256  -12.016143     2  1468
1471  1470  H      5.281444   10.999245  -10.797612     2  1468
1472  1471  O     -0.065900  -12.124646   10.004243     1  1472  1473
1473  1472  H      0.017204  -13.022475   10.353671     2  1471
1474  1473  H      0.552653  -11.564304   10.476375     2  1471
1475  1474  O     -2.215371  -12.349584  -12.522614     1  1475  1476
1476  1475  H     -2.823518  -12.242759  -11.795038     2  1474
1477  1476  H     -1.596741  -11.628859  -12.465589     2  1474
1478  1477  O     -0.504579   -4.743958  -12.316101     1  1478  1479
1479  1478  H     -1.364826   -5.096869  -11.922955     2  1477
1480  1479  H      0.233527   -5.005022  -11.745259     2  1477
1481  1480  O     -4.882511    3.600428    8.580595     1  1481  1482
1482  1481  H     -4.950131    2.637988    8.717611     2  1480
1483  1482  H     -5.786881    3.892776    8.317968     2  1480
1484  1483  O    -10.449823    0.438734   -7.009655     1  1484  1485
1485  1484  H     -9.884036    0.519168   -6.215207     2  1483
1486  1485  H    -10.278373    1.376042   -7.378926     2  1483
1487  1486  O      6.086833    8.480892   -2.338400     1  1487  1488
1488  1487  H      5.967547    9.342048   -2.737628     2  1486
1489  1488  H      6.099402    8.674009   -1.404065     2  1486
1490  1489  O     10.762910    4.645609    6.875210     1  1490  1491
1491  1490  H     11.171540    3.785165    6.653107     2  1489
1492  1491  H     10.013735    4.554147    7.455797     2  1489
1493  1492  O     -9.585783   -4.674573   -1.330244     1  1493  1494
1494  1493  H     -9.596554   -5.148985   -2.201269     2  1492
1495  1494  H     -9.108700   -5.166498   -0.626960     2  1492
1496  1495  O      2.254374   11.293440   -7.379835     1  1496  1497
1497  1496  H      1.890215   12.040317   -7.899204     2  1495
1498  1497  H      1.684884   10.511642   -7.417466     2  1495
1499  1498  O      2.346533   -0.897826    2.151605     1  1499  1500
1500  1499  H      2.985259   -0.482253    2.689698     2  1498
1501  1500  H      1.914982   -0.151523    1.668901     2  1498
1502  1501  O    -10.132423    9.485821    3.701439     1  1502  1503
1503  1502  H    -10.835834    9.369303    4.415263     2  1501
1504  1503  H    -10.662771    9.537528    2.867665     2  1501
1505  1504  O      5.889850   -2.501819    2.672792     1  1505  1506
1506  1505  H      5.632488   -1.542376    2.544675     2  1504
1507  1506  H      6.410009   -2.731602    1.868122     2  1504
1508  1507  O      6.120639   -3.410907    7.656194     1  1508  1509
1509  1508  H      6.867599   -3.527691    8.295814     2  1507
1510  1509  H      6.350533   -4.009195    6.862958     2  1507
1511  1510  O    -10.162571   11.521596    8.074777     1  1511  1512
1512  1511  H    -10.559712   10.756690    8.594796     2  1510
1513  1512  H    -10.722058   12.272998    8.237809     2  1510
1514  1513  O      0.784840   -8.685858   -2.292033     1  1514  1515
1515  1514  H      1.313297   -9.091411   -3.025026     2  1513
1516  1515  H      0.887456   -9.390326   -1.659270     2  1513
1517  1516  O     -2.356525    7.580288  -13.118137     1  1517  1518
1518  1517  H     -1.955542    8.457765  -13.298713     2  1516
1519  1518  H     -2.449009    7.532067  -12.172279     2  1516
1520  1519  O      1.219152    4.222930    6.262684     1  1520  1521
1521  1520  H      1.762938    4.066823    5.442492     2  1519
1522  1521  H      1.061414    5.184530    6.213301     2  1519
1523  1522  O      5.299002    3.039379    3.907912     1  1523  1524
1524  1523  H      5.401410    3.788564    3.275702     2  1522
1525  1524  H      5.807654    3.329741    4.700852     2  1522
1526  1525  O      5.136258    3.264542    8.606029     1  1526  1527
1527  1526  H      4.585509    3.989815    8.345797     2  1525
1528  1527  H      5.950051    3.410645    8.202593     2  1525
1529  1528  O      4.531075   -8.250288   -4.625481     1  1529  1530
1530  1529  H      4.055663   -7.716911   -5.286753     2  1528
1531  1530  H      5.514557   -8.093369   -4.662310     2  1528
1532  1531  O     -8.014484   -8.732898   -4.451829     1  1532  1533
1533  1532  H     -8.694604   -8.866446   -3.787166     2  1531
1534  1533  H     -7.195970   -8.411785   -4.065631     2  1531
1535  1534  O     12.201008   -4.039446    9.482997     1  1535  1536
1536  1535  H     13.000192   -3.956558    8.983955     2  1534
1537  1536  H     11.503399   -3.911642    8.850800     2  1534
1538