1  2400  Methanol  (400 AMOEBA Molecules in 30.000 Ang Box)
2     1  C      0.899696  -11.723867  -10.565595    40     2     3     4     5
3     2  H      0.477564  -12.095229  -11.479761    41     1
4     3  H      0.458185  -12.364028   -9.700866    41     1
5     4  H      0.550061  -10.707291  -10.486654    41     1
6     5  O      2.303714  -11.823863  -10.399413    38     1     6
7     6  H      2.491360  -11.309590   -9.579238    39     5
8     7  C      2.403502   13.101942   -4.342206    40     8     9    10    11
9     8  H      3.259524   12.615239   -4.912368    41     7
10     9  H      2.773698   14.066754   -3.971318    41     7
11    10  H      2.154884   12.414306   -3.498863    41     7
12    11  O      1.351981   13.440196   -5.247545    38     7    12
13    12  H      0.522129   13.296300   -4.784492    39    11
14    13  C      1.728023   10.467712  -10.488882    40    14    15    16    17
15    14  H      2.633427   10.668740   -9.834522    41    13
16    15  H      1.035090    9.697850  -10.085429    41    13
17    16  H      2.128996   10.202863  -11.496396    41    13
18    17  O      1.010495   11.698371  -10.588793    38    13    18
19    18  H      1.606175   12.308220  -11.081204    39    17
20    19  C     12.472875   14.343362    2.254858    40    20    21    22    23
21    20  H     11.952018   13.487492    2.647521    41    19
22    21  H     12.922149   14.769713    3.170624    41    19
23    22  H     11.741712   15.010640    1.789370    41    19
24    23  O     13.445277   13.879497    1.282199    38    19    24
25    24  H     14.087738   13.280231    1.845881    39    23
26    25  C     12.616963  -10.880953    0.680327    40    26    27    28    29
27    26  H     13.154283  -11.248154   -0.220423    41    25
28    27  H     12.727752  -11.529543    1.660258    41    25
29    28  H     11.528209  -10.928122    0.415397    41    25
30    29  O     12.989373   -9.540013    1.069516    38    25    30
31    30  H     13.938103   -9.548052    1.167174    39    29
32    31  C     -8.687487  -12.063942   -1.454285    40    32    33    34    35
33    32  H     -8.833585  -11.685406   -0.386058    41    31
34    33  H     -9.098869  -11.290688   -2.150578    41    31
35    34  H     -9.291974  -12.978964   -1.609472    41    31
36    35  O     -7.343076  -12.360268   -1.718977    38    31    36
37    36  H     -7.439028  -12.595662   -2.657655    39    35
38    37  C     -9.434396    9.196007  -11.700395    40    38    39    40    41
39    38  H    -10.488160    9.031621  -11.209948    41    37
40    39  H     -8.856388    9.847200  -11.093249    41    37
41    40  H     -9.471690    9.724753  -12.658824    41    37
42    41  O     -8.642916    7.973618  -11.700452    38    37    42
43    42  H     -7.730954    8.304964  -11.792059    39    41
44    43  C      9.540627    6.100848   -3.928873    40    44    45    46    47
45    44  H     10.362815    6.046929   -4.728040    41    43
46    45  H      9.642607    5.247734   -3.212716    41    43
47    46  H      8.545319    5.913227   -4.444424    41    43
48    47  O      9.508716    7.356367   -3.237165    38    43    48
49    48  H      9.445417    8.078998   -3.935087    39    47
50    49  C     -1.939727  -14.727617  -10.303063    40    50    51    52    53
51    50  H     -1.004041  -14.077235  -10.421139    41    49
52    51  H     -1.651916  -15.718413   -9.855151    41    49
53    52  H     -2.366824  -14.931046  -11.304955    41    49
54    53  O     -2.976381  -14.152036   -9.570397    38    49    54
55    54  H     -2.552422  -13.978802   -8.718340    39    53
56    55  C      5.010421   -9.087660   -5.248566    40    56    57    58    59
57    56  H      4.246184   -9.288824   -4.418194    41    55
58    57  H      4.702580   -9.386640   -6.322201    41    55
59    58  H      5.913087   -9.613616   -4.934088    41    55
60    59  O      5.226062   -7.722111   -5.303670    38    55    60
61    60  H      5.387296   -7.444961   -6.203161    39    59
62    61  C      3.195223    2.880395    2.797856    40    62    63    64    65
63    62  H      3.786263    2.904947    1.832894    41    61
64    63  H      3.119432    3.905023    3.160598    41    61
65    64  H      3.842292    2.232215    3.449195    41    61
66    65  O      1.938482    2.265561    2.603738    38    61    66
67    66  H      1.976164    1.317315    2.190450    39    65
68    67  C    -11.277824  -12.818449    1.746240    40    68    69    70    71
69    68  H    -10.576115  -12.782037    0.894746    41    67
70    69  H    -11.299994  -13.830390    2.101990    41    67
71    70  H    -12.260802  -12.642868    1.336885    41    67
72    71  O    -10.962132  -11.907651    2.792713    38    67    72
73    72  H    -11.166844  -11.017272    2.370494    39    71
74    73  C     11.680247   15.032386   -6.970036    40    74    75    76    77
75    74  H     10.673150   15.422791   -6.880820    41    73
76    75  H     12.317324   15.186262   -6.060222    41    73
77    76  H     12.159959   15.504909   -7.850361    41    73
78    77  O     11.606924   13.665336   -7.259893    38    73    78
79    78  H     12.509996   13.385983   -7.409491    39    77
80    79  C     12.521926    7.062877   -1.686563    40    80    81    82    83
81    80  H     12.201346    5.967047   -1.717689    41    79
82    81  H     12.840362    7.368115   -2.721636    41    79
83    82  H     13.430355    7.128543   -1.038609    41    79
84    83  O     11.363541    7.797241   -1.233376    38    79    84
85    84  H     10.716577    7.569851   -1.885864    39    83
86    85  C      8.655104  -10.719507   -0.167054    40    86    87    88    89
87    86  H      9.626238  -10.488795   -0.604550    41    85
88    87  H      7.960365  -11.120534   -0.919586    41    85
89    88  H      8.203547   -9.762520    0.156699    41    85
90    89  O      8.634515  -11.540509    1.015952    38    85    90
91    90  H      7.891977  -11.352684    1.587435    39    89
92    91  C     -0.265534    1.562391   -0.359376    40    92    93    94    95
93    92  H      0.287011    1.806542   -1.294398    41    91
94    93  H     -1.290342    1.807436   -0.485748    41    91
95    94  H      0.142032    2.178035    0.554930    41    91
96    95  O     -0.120387    0.117823   -0.076459    38    91    96
97    96  H     -0.392318   -0.348683   -0.956436    39    95
98    97  C    -10.555110    2.213915   13.069355    40    98    99   100   101
99    98  H     -9.635219    2.804244   12.901132    41    97
100    99  H    -11.207669    2.429869   12.201550    41    97
101   100  H    -10.948066    2.701155   13.941494    41    97
102   101  O    -10.227632    0.855983   13.297765    38    97   102
103   102  H     -9.886235    0.571172   12.427570    39   101
104   103  C     -3.534904    8.983175   -8.637308    40   104   105   106   107
105   104  H     -4.225161    8.170934   -9.038198    41   103
106   105  H     -3.616020    9.809453   -9.311506    41   103
107   106  H     -2.502453    8.670575   -8.725301    41   103
108   107  O     -3.924077    9.396158   -7.352218    38   103   108
109   108  H     -3.822206   10.328132   -7.284692    39   107
110   109  C     -3.424714    6.271692   -0.357987    40   110   111   112   113
111   110  H     -2.943191    5.383714    0.223817    41   109
112   111  H     -4.172826    6.659050    0.307000    41   109
113   112  H     -3.920672    5.721202   -1.202642    41   109
114   113  O     -2.394406    7.167772   -0.783180    38   109   114
115   114  H     -2.831268    8.044515   -0.908345    39   113
116   115  C    -11.401740    4.069833    2.117140    40   116   117   118   119
117   116  H    -11.030132    4.038877    3.112842    41   115
118   117  H    -11.972013    3.170396    1.862799    41   115
119   118  H    -10.521301    4.163203    1.489127    41   115
120   119  O    -12.142431    5.228161    2.021241    38   115   120
121   120  H    -11.570569    5.969861    2.277865    39   119
122   121  C      8.432425    8.555658   -6.673171    40   122   123   124   125
123   122  H      7.846257    7.610476   -6.290106    41   121
124   123  H      7.686093    9.257875   -7.154104    41   121
125   124  H      9.199600    8.289091   -7.452673    41   121
126   125  O      9.167217    9.286861   -5.687439    38   121   126
127   126  H      9.468702   10.091433   -6.093824    39   125
128   127  C    -13.783429   14.029306   12.703202    40   128   129   130   131
129   128  H    -13.995483   13.493871   13.672996    41   127
130   129  H    -14.346427   14.924782   12.614761    41   127
131   130  H    -14.164091   13.336011   11.863366    41   127
132   131  O    -12.409404   14.263550   12.481733    38   127   132
133   132  H    -12.154595   13.638147   11.713368    39   131
134   133  C     -6.258208  -13.068530   -8.423694    40   134   135   136   137
135   134  H     -5.767985  -12.185126   -7.925472    41   133
136   135  H     -7.362265  -12.759392   -8.612282    41   133
137   136  H     -6.245757  -14.018421   -7.819352    41   133
138   137  O     -5.663606  -13.230980   -9.726523    38   133   138
139   138  H     -4.750992  -13.585436   -9.535587    39   137
140   139  C     -7.391416    0.745708   -6.389476    40   140   141   142   143
141   140  H     -8.423733    0.906038   -6.639024    41   139
142   141  H     -6.929693   -0.012909   -7.043763    41   139
143   142  H     -7.203785    0.383420   -5.347887    41   139
144   143  O     -6.697577    1.948917   -6.491598    38   139   144
145   144  H     -7.347350    2.641097   -6.309618    39   143
146   145  C     -9.854176    0.353565  -12.880956    40   146   147   148   149
147   146  H    -10.852382    0.217132  -13.322692    41   145
148   147  H     -9.415145   -0.513291  -12.396361    41   145
149   148  H     -9.884125    1.185537  -12.167866    41   145
150   149  O     -8.977612    0.805530  -13.915340    38   145   150
151   150  H     -9.502983    0.782930  -14.737489    39   149
152   151  C      3.634627    9.756948    9.374252    40   152   153   154   155
153   152  H      3.793816   10.667541    9.915233    41   151
154   153  H      4.489371    9.079631    9.510951    41   151
155   154  H      3.707136    9.946019    8.263983    41   151
156   155  O      2.518963    8.990888    9.825589    38   151   156
157   156  H      2.551483    8.225625    9.206130    39   155
158   157  C      1.319487   11.887363   12.037962    40   158   159   160   161
159   158  H      2.176029   11.163336   12.272870    41   157
160   159  H      0.323277   11.488756   12.300320    41   157
161   160  H      1.381899   12.178069   10.947633    41   157
162   161  O      1.499774   13.067292   12.832350    38   157   162
163   162  H      0.913541   13.705202   12.375077    39   161
164   163  C     -8.711396    8.859124    8.321872    40   164   165   166   167
165   164  H     -8.016877    9.781217    8.271152    41   163
166   165  H     -8.839181    8.520076    9.379141    41   163
167   166  H     -8.259571    8.075831    7.704832    41   163
168   167  O     -9.990782    9.068238    7.708484    38   163   168
169   168  H    -10.412227    8.246424    7.713536    39   167
170   169  C      6.744968  -15.072522   -3.248129    40   170   171   172   173
171   170  H      6.854172  -15.268255   -4.367417    41   169
172   171  H      6.615023  -16.037673   -2.700847    41   169
173   172  H      5.863564  -14.417342   -3.092741    41   169
174   173  O      7.853832  -14.301214   -2.809404    38   169   174
175   174  H      7.676390  -13.961073   -1.879513    39   173
176   175  C     -5.480153   -5.957299   -3.248740    40   176   177   178   179
177   176  H     -4.914873   -6.149599   -4.161035    41   175
178   177  H     -5.359692   -4.877632   -2.989497    41   175
179   178  H     -5.041527   -6.591730   -2.411659    41   175
180   179  O     -6.838481   -6.254792   -3.311036    38   175   180
181   180  H     -7.273051   -5.567433   -3.802101    39   179
182   181  C    -11.740735    0.357950    3.320773    40   182   183   184   185
183   182  H    -11.932495    1.405742    3.778222    41   181
184   183  H    -12.356265    0.060568    2.476963    41   181
185   184  H    -12.010412   -0.295488    4.129335    41   181
186   185  O    -10.362863    0.185037    2.988442    38   181   186
187   186  H     -9.969577   -0.460914    3.603323    39   185
188   187  C     -5.251610    0.693333  -14.266323    40   188   189   190   191
189   188  H     -5.600171    0.824352  -15.309044    41   187
190   189  H     -4.205210    1.074958  -14.042494    41   187
191   190  H     -5.467482   -0.411791  -13.972281    41   187
192   191  O     -6.197965    1.454740  -13.616012    38   187   192
193   192  H     -7.125112    1.090790  -13.709337    39   191
194   193  C     10.822260    1.798052    6.047628    40   194   195   196   197
195   194  H     11.626876    1.014398    6.158791    41   193
196   195  H     10.499938    1.861072    4.988818    41   193
197   196  H     11.204284    2.758138    6.442912    41   193
198   197  O      9.633581    1.406041    6.806003    38   193   198
199   198  H      9.240817    0.648210    6.311727    39   197
200   199  C      6.230345  -13.392768  -12.779202    40   200   201   202   203
201   200  H      7.154333  -13.759830  -12.266658    41   199
202   201  H      5.920147  -12.376459  -12.342354    41   199
203   202  H      5.339802  -14.106787  -12.541754    41   199
204   203  O      6.440366  -13.199928  -14.248373    38   199   204
205   204  H      6.740708  -14.062692  -14.560784    39   203
206   205  C     13.376353   -8.205933   13.278319    40   206   207   208   209
207   206  H     13.708003   -9.151023   13.692830    41   205
208   207  H     13.311339   -8.379652   12.176540    41   205
209   208  H     14.206063   -7.438855   13.413685    41   205
210   209  O     12.117094   -7.986094   13.891834    38   205   210
211   210  H     11.834505   -7.152881   13.502799    39   209
212   211  C     -6.201766   -3.660066   -5.734113    40   212   213   214   215
213   212  H     -5.838735   -4.585410   -6.298606    41   211
214   213  H     -6.552980   -2.885953   -6.459076    41   211
215   214  H     -5.440653   -3.173136   -5.126089    41   211
216   215  O     -7.298266   -4.049325   -4.919973    38   211   216
217   216  H     -7.495856   -3.310165   -4.370681    39   215
218   217  C     -1.263480   -4.766771    1.931721    40   218   219   220   221
219   218  H     -1.853347   -3.755603    2.031323    41   217
220   219  H     -0.166298   -4.632773    2.036993    41   217
221   220  H     -1.418624   -5.183803    0.874811    41   217
222   221  O     -1.876201   -5.706137    2.807416    38   217   222
223   222  H     -1.478713   -6.598765    2.450435    39   221
224   223  C     -1.298471  -11.643616   -7.073395    40   224   225   226   227
225   224  H     -0.349882  -11.196991   -6.600218    41   223
226   225  H     -1.740949  -10.911789   -7.757504    41   223
227   226  H     -2.122604  -11.960515   -6.333444    41   223
228   227  O     -0.979742  -12.813474   -7.847608    38   223   228
229   228  H     -0.197143  -13.168395   -7.429882    39   227
230   229  C      6.370416    8.231609   -2.632336    40   230   231   232   233
231   230  H      6.850870    7.530253   -3.332039    41   229
232   231  H      5.616342    7.653100   -2.151008    41   229
233   232  H      6.113312    9.148235   -3.193460    41   229
234   233  O      7.327953    8.489989   -1.573107    38   229   234
235   234  H      8.151337    7.978016   -1.789278    39   233
236   235  C     -2.833447   10.046212   11.913081    40   236   237   238   239
237   236  H     -2.022888    9.626959   12.469452    41   235
238   237  H     -2.752008   11.123207   12.122412    41   235
239   238  H     -3.778884    9.899835   12.468514    41   235
240   239  O     -2.744428    9.532554   10.643582    38   235   240
241   240  H     -2.950430    8.596715   10.608735    39   239
242   241  C     -0.208607    7.456885    8.607806    40   242   243   244   245
243   242  H     -0.705472    6.506056    8.866323    41   241
244   243  H      0.621949    7.672827    9.325492    41   241
245   244  H     -0.973090    8.311296    8.769657    41   241
246   245  O      0.227628    7.491734    7.227720    38   241   246
247   246  H      1.143652    7.109421    7.380415    39   245
248   247  C     -3.625015   -0.159530   -6.830715    40   248   249   250   251
249   248  H     -3.862816   -1.009211   -7.439155    41   247
250   249  H     -3.369240   -0.612485   -5.841118    41   247
251   250  H     -4.600050    0.423133   -6.763782    41   247
252   251  O     -2.424497    0.515895   -7.374575    38   247   252
253   252  H     -1.690425   -0.156992   -7.266866    39   251
254   253  C      5.644304    5.152192   -4.031758    40   254   255   256   257
255   254  H      5.749198    4.211049   -4.636674    41   253
256   255  H      6.302265    5.079483   -3.159180    41   253
257   256  H      4.537515    5.259670   -3.731132    41   253
258   257  O      6.029893    6.182632   -4.930090    38   253   258
259   258  H      5.254423    6.827166   -4.895939    39   257
260   259  C      7.062194   -4.829264   -9.473570    40   260   261   262   263
261   260  H      7.088667   -4.275703  -10.410385    41   259
262   261  H      6.072974   -4.636476   -9.034316    41   259
263   262  H      7.841130   -4.442037   -8.764674    41   259
264   263  O      7.175977   -6.227520   -9.699850    38   259   264
265   264  H      6.822105   -6.465488  -10.561026    39   263
266   265  C     -3.584491  -10.803738    4.765671    40   266   267   268   269
267   266  H     -3.673333  -10.510773    3.647523    41   265
268   267  H     -2.772104  -10.268631    5.250909    41   265
269   268  H     -3.378345  -11.922958    4.867930    41   265
270   269  O     -4.787443  -10.386539    5.429732    38   265   270
271   270  H     -5.043581   -9.476150    5.010421    39   269
272   271  C      8.945185   10.801364    4.594716    40   272   273   274   275
273   272  H      9.385521   11.575718    3.912827    41   271
274   273  H      8.747599   11.256971    5.559324    41   271
275   274  H      9.734426    9.973258    4.610519    41   271
276   275  O      7.733346   10.301989    4.057908    38   271   276
277   276  H      7.928266    9.460279    3.606902    39   275
278   277  C     -1.299133    8.462475    4.156500    40   278   279   280   281
279   278  H     -1.901163    9.236880    3.646744    41   277
280   279  H     -0.777447    7.850474    3.329525    41   277
281   280  H     -1.990493    7.834439    4.729073    41   277
282   281  O     -0.363974    9.016837    5.056714    38   277   282
283   282  H     -0.264917    8.400663    5.761239    39   281
284   283  C     -4.251340   -3.552547    7.362147    40   284   285   286   287
285   284  H     -5.378209   -3.601529    7.437581    41   283
286   285  H     -3.740994   -4.591881    7.441370    41   283
287   286  H     -3.939918   -2.970723    8.250720    41   283
288   287  O     -3.813938   -2.882476    6.184748    38   283   288
289   288  H     -2.981776   -2.485647    6.386226    39   287
290   289  C     -9.663514   14.037663   15.047777    40   290   291   292   293
291   290  H     -8.844370   13.237474   15.109048    41   289
292   291  H     -9.295140   14.762607   14.306708    41   289
293   292  H     -9.822821   14.571788   16.034811    41   289
294   293  O    -10.744594   13.354244   14.506969    38   289   294
295   294  H    -11.079228   13.915142   13.783293    39   293
296   295  C      5.822234   -1.177246  -11.423865    40   296   297   298   299
297   296  H      6.576524   -1.074222  -12.299472    41   295
298   297  H      5.197360   -0.301951  -11.281790    41   295
299   298  H      6.345431   -1.399661  -10.524890    41   295
300   299  O      5.008986   -2.338555  -11.654111    38   295   300
301   300  H      4.099717   -2.039362  -11.614820    39   299
302   301  C     11.215368   -8.342701    6.673273    40   302   303   304   305
303   302  H     11.727246   -7.906859    5.812845    41   301
304   303  H     10.138163   -8.558255    6.438255    41   301
305   304  H     11.166758   -7.492091    7.379661    41   301
306   305  O     11.725893   -9.496931    7.250881    38   301   306
307   306  H     11.976680  -10.075994    6.466860    39   305
308   307  C      1.475850   -1.168080    2.877154    40   308   309   310   311
309   308  H      0.415138   -1.407984    2.822997    41   307
310   309  H      2.020537   -2.121376    3.060698    41   307
311   310  H      1.605831   -0.535168    3.822938    41   307
312   311  O      1.899412   -0.363478    1.748738    38   307   312
313   312  H      1.242916   -0.335803    1.014175    39   311
314   313  C     -6.817596   -0.429310   12.325960    40   314   315   316   317
315   314  H     -7.217290   -1.338277   11.748481    41   313
316   315  H     -7.452768   -0.249868   13.257372    41   313
317   316  H     -6.850262    0.466749   11.625824    41   313
318   317  O     -5.469543   -0.642750   12.658770    38   313   318
319   318  H     -5.034145   -1.026891   11.853372    39   317
320   319  C     11.594594    2.045850   -8.255524    40   320   321   322   323
321   320  H     11.383318    3.080229   -8.569870    41   319
322   321  H     12.057232    2.007911   -7.277144    41   319
323   322  H     12.265980    1.577714   -9.068318    41   319
324   323  O     10.413348    1.328883   -8.166688    38   319   324
325   324  H     10.712356    0.435013   -8.316908    39   323
326   325  C     -8.686957  -12.618354   12.380992    40   326   327   328   329
327   326  H     -9.469222  -13.141149   11.812246    41   325
328   327  H     -8.900211  -11.521052   12.258802    41   325
329   328  H     -7.744147  -12.826900   11.799229    41   325
330   329  O     -8.646327  -13.026362   13.726857    38   325   330
331   330  H     -9.413221  -12.626659   14.195654    39   329
332   331  C      8.810087    0.300850  -13.827205    40   332   333   334   335
333   332  H      8.189870    0.852989  -13.102537    41   331
334   333  H      9.192805   -0.647361  -13.332126    41   331
335   334  H      9.593029    1.038718  -14.064780    41   331
336   335  O      7.999957   -0.005269  -14.970178    38   331   336
337   336  H      7.718410    0.886760  -15.246285    39   335
338   337  C    -11.568161    1.161782   -4.799588    40   338   339   340   341
339   338  H    -11.672023    0.901884   -3.737615    41   337
340   339  H    -12.573795    0.951363   -5.310462    41   337
341   340  H    -10.774048    0.544703   -5.191168    41   337
342   341  O    -11.232496    2.528697   -4.952886    38   337   342
343   342  H    -11.996436    2.874457   -5.428418    39   341
344   343  C    -11.389745   -0.938190   -0.376145    40   344   345   346   347
345   344  H    -10.994950   -0.201866   -1.075789    41   343
346   345  H    -12.541689   -0.897183   -0.401240    41   343
347   346  H    -10.878324   -0.721359    0.593330    41   343
348   347  O    -10.973395   -2.232754   -0.871260    38   343   348
349   348  H    -11.159057   -2.814599   -0.078026    39   347
350   349  C     -5.683817  -13.932979   13.266091    40   350   351   352   353
351   350  H     -5.603606  -14.067249   12.160140    41   349
352   351  H     -5.957364  -12.912765   13.617656    41   349
353   352  H     -4.636283  -14.110829   13.657825    41   349
354   353  O     -6.553776  -14.948084   13.718199    38   349   354
355   354  H     -7.420345  -14.439560   13.877045    39   353
356   355  C    -10.997130    6.106307   -1.034191    40   356   357   358   359
357   356  H    -10.216741    5.309974   -1.182304    41   355
358   357  H    -10.422519    6.975099   -0.787054    41   355
359   358  H    -11.748130    5.921346   -0.273186    41   355
360   359  O    -11.573764    6.322273   -2.312573    38   355   360
361   360  H    -10.811490    6.350864   -2.937192    39   359
362   361  C     -3.272875    5.962469    9.971592    40   362   363   364   365
363   362  H     -2.189910    5.738790   10.259291    41   361
364   363  H     -3.926494    5.108178   10.105504    41   361
365   364  H     -3.381168    6.310434    8.928009    41   361
366   365  O     -3.799938    6.974050   10.830870    38   361   366
367   366  H     -3.922012    6.568011   11.673704    39   365
368   367  C    -12.117655   11.566409  -13.063102    40   368   369   370   371
369   368  H    -11.607481   10.653077  -12.690614    41   367
370   369  H    -11.601020   12.479620  -12.909964    41   367
371   370  H    -13.104516   11.723084  -12.536437    41   367
372   371  O    -12.311109   11.324838  -14.440665    38   367   372
373   372  H    -11.879219   12.045546  -14.922963    39   371
374   373  C     13.573478   12.254336   -9.816632    40   374   375   376   377
375   374  H     12.657335   12.561616  -10.378839    41   373
376   375  H     14.370269   12.118986  -10.515047    41   373
377   376  H     13.534365   11.228299   -9.483416    41   373
378   377  O     13.822548   13.039689   -8.732385    38   373   378
379   378  H     14.038798   13.941096   -9.015320    39   377
380   379  C      7.632781  -11.667049   -6.364957    40   380   381   382   383
381   380  H      6.498413  -11.373310   -6.461236    41   379
382   381  H      7.858118  -12.378686   -7.206640    41   379
383   382  H      7.759413  -12.195837   -5.389188    41   379
384   383  O      8.358340  -10.471134   -6.574555    38   379   384
385   384  H      8.318926  -10.247145   -7.549954    39   383
386   385  C    -14.282031  -14.083915   -8.592479    40   386   387   388   389
387   386  H    -13.576041  -13.440982   -9.215747    41   385
388   387  H    -14.262897  -13.601160   -7.527694    41   385
389   388  H    -13.880714  -15.107316   -8.402778    41   385
390   389  O    -15.632173  -14.160357   -9.029146    38   385   390
391   390  H    -15.904145  -13.473187   -9.661295    39   389
392   391  C     11.792003   -2.165159    8.063409    40   392   393   394   395
393   392  H     12.783507   -1.516021    8.353243    41   391
394   393  H     10.953975   -1.938367    8.745856    41   391
395   394  H     11.998405   -3.238613    8.141805    41   391
396   395  O     11.547338   -1.832171    6.661063    38   391   396
397   396  H     10.532940   -1.805121    6.503476    39   395
398   397  C     -5.144253   -4.740443    3.411327    40   398   399   400   401
399   398  H     -5.011759   -3.987695    2.645670    41   397
400   399  H     -6.206159   -4.869574    3.478798    41   397
401   400  H     -4.649223   -4.445994    4.439297    41   397
402   401  O     -4.545103   -5.948373    2.949125    38   397   402
403   402  H     -3.632470   -5.855936    2.756899    39   401
404   403  C     13.629294    6.043699   -7.284794    40   404   405   406   407
405   404  H     14.426326    6.619052   -6.755026    41   403
406   405  H     13.207767    5.281395   -6.602082    41   403
407   406  H     14.113876    5.565427   -8.144002    41   403
408   407  O     12.528580    6.878218   -7.587481    38   403   408
409   408  H     12.245053    7.418046   -6.781474    39   407
410   409  C      0.080278    9.818536   -7.227872    40   410   411   412   413
411   410  H     -0.002204   10.821183   -7.683242    41   409
412   411  H     -0.944582    9.355114   -7.322369    41   409
413   412  H      0.320366    9.900654   -6.201903    41   409
414   413  O      1.062791    9.013679   -7.901417    38   409   414
415   414  H      1.328986    8.309902   -7.289706    39   413
416   415  C     -2.068079    6.204547   -7.046160    40   416   417   418   419
417   416  H     -2.215380    6.049816   -8.150416    41   415
418   417  H     -3.040238    5.989877   -6.586416    41   415
419   418  H     -1.784575    7.198049   -6.930014    41   415
420   419  O     -1.059374    5.386213   -6.459857    38   415   420
421   420  H     -1.455188    4.445546   -6.319394    39   419
422   421  C     -7.846245    5.921589    4.902646    40   422   423   424   425
423   422  H     -8.360536    6.922618    4.841273    41   421
424   423  H     -8.642061    5.124950    4.760547    41   421
425   424  H     -7.441600    5.788644    5.903109    41   421
426   425  O     -6.833475    5.661767    3.894032    38   421   426
427   426  H     -7.223815    5.960512    3.052972    39   425
428   427  C      6.347708    0.873920   -0.317335    40   428   429   430   431
429   428  H      5.722710    1.748209    0.042821    41   427
430   429  H      6.139691    0.441313   -1.358215    41   427
431   430  H      6.113326   -0.017537    0.388382    41   427
432   431  O      7.737328    1.188485   -0.193480    38   427   432
433   432  H      8.259307    0.572935   -0.737867    39   431
434   433  C    -12.505771   -6.970052    7.678527    40   434   435   436   437
435   434  H    -12.043440   -6.113050    8.185022    41   433
436   435  H    -12.353813   -6.743840    6.569416    41   433
437   436  H    -13.631662   -7.069713    7.908139    41   433
438   437  O    -11.851989   -8.163636    8.016352    38   433   438
439   438  H    -12.104390   -8.816079    7.288196    39   437
440   439  C     -3.806493    5.967841   14.207807    40   440   441   442   443
441   440  H     -4.198490    6.682027   14.932356    41   439
442   441  H     -3.858430    4.954385   14.572813    41   439
443   442  H     -2.774154    6.134293   13.856955    41   439
444   443  O     -4.688737    5.922351   13.073405    38   439   444
445   444  H     -5.629513    5.802990   13.351011    39   443
446   445  C      1.205326   -8.272163   13.703480    40   446   447   448   449
447   446  H      0.568135   -7.434135   13.482237    41   445
448   447  H      0.603985   -9.197076   14.076162    41   445
449   448  H      1.967194   -7.954881   14.417042    41   445
450   449  O      1.893668   -8.750830   12.566524    38   445   450
451   450  H      1.263069   -8.865626   11.861153    39   449
452   451  C     13.982050   -9.623052   -8.242330    40   452   453   454   455
453   452  H     13.901269   -8.643757   -8.775015    41   451
454   453  H     13.918645  -10.467537   -8.868769    41   451
455   454  H     13.204738   -9.681288   -7.463332    41   451
456   455  O     15.294658   -9.618217   -7.661789    38   451   456
457   456  H     15.319673  -10.222631   -6.913510    39   455
458   457  C      4.490583    1.307135   13.852031    40   458   459   460   461
459   458  H      3.501944    0.888239   13.541559    41   457
460   459  H      4.974759    0.442278   14.379911    41   457
461   460  H      4.302596    2.040917   14.668846    41   457
462   461  O      5.203204    1.727193   12.674575    38   457   462
463   462  H      4.975551    0.988733   12.062627    39   461
464   463  C     -6.459699   -9.515595   -4.610549    40   464   465   466   467
465   464  H     -6.748978  -10.445299   -5.215105    41   463
466   465  H     -5.980645   -8.813505   -5.373733    41   463
467   466  H     -5.771357   -9.764765   -3.812075    41   463
468   467  O     -7.593942   -8.957179   -4.056037    38   463   468
469   468  H     -7.253234   -8.133560   -3.683455    39   467
470   469  C    -13.777113   -6.193026   -8.180457    40   470   471   472   473
471   470  H    -14.626376   -6.218262   -8.920629    41   469
472   471  H    -13.546537   -5.093624   -8.002854    41   469
473   472  H    -12.910715   -6.679774   -8.729837    41   469
474   473  O    -14.249058   -6.822191   -6.995365    38   469   474
475   474  H    -14.314579   -7.787246   -7.183296    39   473
476   475  C     -8.564606   -5.777033   10.464487    40   476   477   478   479
477   476  H     -7.582385   -5.910428    9.933825    41   475
478   477  H     -9.457151   -5.893528    9.811530    41   475
479   478  H     -8.656074   -4.784077   10.988894    41   475
480   479  O     -8.613314   -6.701116   11.523482    38   475   480
481   480  H     -8.981483   -7.526222   11.143996    39   479
482   481  C      4.016958  -10.256655  -13.417595    40   482   483   484   485
483   482  H      3.794201   -9.246082  -13.701129    41   481
484   483  H      4.524560  -10.322242  -12.381660    41   481
485   484  H      4.800179  -10.684096  -14.108284    41   481
486   485  O      2.823294  -11.068098  -13.291280    38   481   486
487   486  H      2.730394  -11.147870  -12.320584    39   485
488   487  C      5.422987    8.740724    5.132835    40   488   489   490   491
489   488  H      6.182015    8.309334    5.787366    41   487
490   489  H      5.377549    8.156077    4.191205    41   487
491   490  H      5.624910    9.812790    4.930597    41   487
492   491  O      4.189370    8.701917    5.849527    38   487   492
493   492  H      3.536683    9.238546    5.330385    39   491
494   493  C     -0.434189  -10.380646  -13.778812    40   494   495   496   497
495   494  H     -0.008371   -9.399111  -13.492795    41   493
496   495  H     -1.371723  -10.122267  -14.310013    41   493
497   496  H     -0.823786  -10.943161  -12.860743    41   493
498   497  O      0.525676  -11.139080  -14.515672    38   493   498
499   498  H      1.408014  -11.064514  -14.123957    39   497
500   499  C      2.732160   -0.142571   10.517204    40   500   501   502   503
501   500  H      2.367539    0.668229    9.895123    41   499
502   501  H      2.395810   -1.123670   10.078781    41   499
503   502  H      2.148818    0.021131   11.496388    41   499
504   503  O      4.116123   -0.185592   10.716421    38   499   504
505   504  H      4.491899   -0.336496    9.824097    39   503
506   505  C     14.997362   12.076456    4.752409    40   506   507   508   509
507   506  H     13.937146   12.027944    5.136414    41   505
508   507  H     15.498891   11.186778    5.271115    41   505
509   508  H     15.531345   13.005863    5.031105    41   505
510   509  O     14.870290   11.981082    3.351078    38   505   510
511   510  H     15.742985   12.216268    3.092146    39   509
512   511  C    -14.274126    7.350504   -3.974545    40   512   513   514   515
513   512  H    -14.880945    8.132676   -3.464365    41   511
514   513  H    -13.278146    7.791076   -4.219366    41   511
515   514  H    -14.898359    7.043946   -4.828992    41   511
516   515  O    -14.175909    6.232509   -3.092562    38   511   516
517   516  H    -13.177309    6.351213   -2.873436    39   515
518   517  C      3.109515   11.541286   -7.368948    40   518   519   520   521
519   518  H      4.060171   12.138468   -7.317990    41   517
520   519  H      2.380784   12.078708   -8.019510    41   517
521   520  H      2.704828   11.386096   -6.381460    41   517
522   521  O      3.487495   10.345304   -7.994273    38   517   522
523   522  H      2.693247    9.795167   -7.937125    39   521
524   523  C      2.596017   -1.955498   -2.792137    40   524   525   526   527
525   524  H      3.067042   -1.161322   -2.197296    41   523
526   525  H      1.484623   -2.047208   -2.525617    41   523
527   526  H      3.269759   -2.798441   -2.553798    41   523
528   527  O      2.584815   -1.634376   -4.190581    38   523   528
529   528  H      3.455769   -1.870986   -4.568256    39   527
530   529  C      4.943308   -3.754061  -14.732578    40   530   531   532   533
531   530  H      4.919314   -2.638507  -14.481208    41   529
532   531  H      5.655461   -4.018660  -15.512363    41   529
533   532  H      4.009869   -4.271729  -14.987193    41   529
534   533  O      5.510645   -4.354656  -13.521841    38   529   534
535   534  H      5.334019   -3.704187  -12.791833    39   533
536   535  C     -0.187458    5.138225   -2.987766    40   536   537   538   539
537   536  H     -0.466308    5.400672   -4.017895    41   535
538   537  H     -0.044936    4.047428   -2.753552    41   535
539   538  H     -0.911742    5.604732   -2.265613    41   535
540   539  O      1.183693    5.616845   -2.919952    38   535   540
541   540  H      1.132872    6.392341   -3.512358    39   539
542   541  C    -14.365825   -4.456720   -2.620470    40   542   543   544   545
543   542  H    -14.138536   -5.523600   -2.808025    41   541
544   543  H    -13.522089   -4.025164   -2.031823    41   541
545   544  H    -15.319988   -4.272743   -2.025040    41   541
546   545  O    -14.343189   -3.679967   -3.799715    38   541   546
547   546  H    -14.907189   -4.157691   -4.501742    39   545
548   547  C     11.289327  -11.225543   -5.439689    40   548   549   550   551
549   548  H     10.879050  -11.808021   -6.337498    41   547
550   549  H     12.413661  -11.187089   -5.487919    41   547
551   550  H     10.912274  -11.763663   -4.551768    41   547
552   551  O     10.738037   -9.941326   -5.451316    38   547   552
553   552  H      9.794419  -10.021661   -5.635147    39   551
554   553  C      9.278873    5.765712  -13.888290    40   554   555   556   557
555   554  H      8.301725    5.833017  -14.479835    41   553
556   555  H      9.323017    6.649767  -13.142756    41   553
557   556  H     10.201210    5.768144  -14.494967    41   553
558   557  O      9.276605    4.583382  -13.163423    38   553   558
559   558  H      8.704748    4.715789  -12.443446    39   557
560   559  C    -10.077299   14.411046   -1.048020    40   560   561   562   563
561   560  H     -9.242598   15.125835   -1.077481    41   559
562   561  H    -10.567850   14.340790   -2.036053    41   559
563   562  H    -10.905300   14.687750   -0.333186    41   559
564   563  O     -9.631841   13.112463   -0.593692    38   559   564
565   564  H     -8.720492   13.109446   -0.829939    39   563
566   565  C     -8.176924   -5.531464    6.910548    40   566   567   568   569
567   566  H     -7.786771   -4.910556    6.082745    41   565
568   567  H     -9.070294   -4.980596    7.340973    41   565
569   568  H     -7.323132   -5.456882    7.631909    41   565
570   569  O     -8.500266   -6.820195    6.470615    38   565   570
571   570  H     -9.167830   -6.707176    5.790777    39   569
572   571  C     12.556495  -11.500056  -14.172130    40   572   573   574   575
573   572  H     12.223934  -12.270061  -14.888671    41   571
574   573  H     11.982777  -10.615548  -14.280879    41   571
575   574  H     13.629431  -11.302099  -14.330414    41   571
576   575  O     12.359810  -11.967116  -12.847526    38   571   576
577   576  H     11.898035  -12.831318  -12.854508    39   575
578   577  C     -2.587810  -14.505996    3.075758    40   578   579   580   581
579   578  H     -2.463193  -13.488566    3.472704    41   577
580   579  H     -2.715836  -15.185471    3.912240    41   577
581   580  H     -1.679081  -14.830981    2.484416    41   577
582   581  O     -3.801850  -14.653037    2.368668    38   577   582
583   582  H     -3.768563  -14.055321    1.609032    39   581
584   583  C    -13.673061   14.917077  -12.415065    40   584   585   586   587
585   584  H    -13.720238   13.969728  -13.074246    41   583
586   585  H    -14.426420   14.891068  -11.551085    41   583
587   586  H    -13.954236   15.791670  -13.030072    41   583
588   587  O    -12.370175   14.974871  -11.923161    38   583   588
589   588  H    -12.260226   14.210387  -11.337042    39   587
590   589  C      2.434021    9.156403    2.941497    40   590   591   592   593
591   590  H      1.515690    8.991597    2.342141    41   589
592   591  H      3.182563    9.784348    2.377127    41   589
593   592  H      2.972674    8.322000    3.286782    41   589
594   593  O      2.099922    9.903656    4.103675    38   589   594
595   594  H      1.276779    9.486712    4.432500    39   593
596   595  C      5.475226   11.515903  -10.464846    40   596   597   598   599
597   596  H      4.471623   11.923105  -10.146054    41   595
598   597  H      6.126350   12.333845  -10.868865    41   595
599   598  H      5.275087   10.666511  -11.181427    41   595
600   599  O      6.032156   10.963530   -9.311752    38   595   600
601   600  H      5.329876   10.445566   -8.863411    39   599
602   601  C     -3.977926   10.020404    0.665805    40   602   603   604   605
603   602  H     -4.271674   11.048206    0.745816    41   601
604   603  H     -4.718174    9.365424    1.157313    41   601
605   604  H     -3.034726    9.957378    1.231395    41   601
606   605  O     -3.712583    9.577359   -0.653992    38   601   606
607   606  H     -4.505102    9.717505   -1.140153    39   605
608   607  C     -6.219128   -9.730866   13.751663    40   608   609   610   611
609   608  H     -6.783808   -9.516873   12.839821    41   607
610   609  H     -6.851132  -10.400298   14.422953    41   607
611   610  H     -6.008765   -8.818165   14.280232    41   607
612   611  O     -4.971263  -10.451354   13.629917    38   607   612
613   612  H     -4.574823  -10.374905   14.508567    39   611
614   613  C     -8.603925   -1.157391    6.579683    40   614   615   616   617
615   614  H     -8.068783   -0.200315    6.298645    41   613
616   615  H     -9.350110   -1.116841    7.413050    41   613
617   616  H     -7.883808   -1.932356    6.892193    41   613
618   617  O     -9.188392   -1.644487    5.390102    38   613   618
619   618  H     -8.543872   -2.039539    4.824272    39   617
620   619  C    -10.694677   -8.210425    4.259385    40   620   621   622   623
621   620  H    -10.874931   -8.887063    3.385418    41   619
622   621  H     -9.969682   -8.714273    4.931908    41   619
623   622  H    -11.665225   -8.097580    4.827331    41   619
624   623  O    -10.198971   -6.902362    3.856071    38   619   624
625   624  H    -10.942427   -6.315507    3.570247    39   623
626   625  C     11.171243    1.692387   -0.621183    40   626   627   628   629
627   626  H     11.114625    2.823172   -0.489289    41   625
628   627  H     12.030159    1.394624   -1.231028    41   625
629   628  H     10.270304    1.264278   -1.192013    41   625
630   629  O     11.228662    0.964970    0.624885    38   625   630
631   630  H     11.953424    1.395881    1.167816    39   629
632   631  C      1.969906  -15.156437   -8.464330    40   632   633   634   635
633   632  H      2.228069  -14.266611   -9.080196    41   631
634   633  H      2.968884  -15.653828   -8.254291    41   631
635   634  H      1.260970  -15.867814   -9.022043    41   631
636   635  O      1.335759  -14.660628   -7.287129    38   631   636
637   636  H      1.195663  -15.358973   -6.620350    39   635
638   637  C     10.374896    8.085207   12.446676    40   638   639   640   641
639   638  H     11.430393    7.804589   12.131733    41   637
640   639  H      9.622616    7.796638   11.786944    41   637
641   640  H     10.345741    9.190850   12.641974    41   637
642   641  O     10.063444    7.345701   13.580388    38   637   642
643   642  H     10.823018    7.236040   14.076494    39   641
644   643  C     13.409041   -3.703732   11.399268    40   644   645   646   647
645   644  H     14.095272   -4.521668   11.098681    41   643
646   645  H     13.916906   -2.717367   11.192532    41   643
647   646  H     13.332749   -3.767226   12.528773    41   643
648   647  O     12.152641   -3.749697   10.795276    38   643   648
649   648  H     11.680282   -2.912654   10.990076    39   647
650   649  C    -10.940509   -8.485420   -3.649075    40   650   651   652   653
651   650  H    -11.735363   -8.371215   -2.860060    41   649
652   651  H    -10.252043   -7.559472   -3.704556    41   649
653   652  H    -11.417580   -8.586382   -4.621660    41   649
654   653  O    -10.196624   -9.672248   -3.373290    38   649   654
655   654  H     -9.291744   -9.509388   -3.559127    39   653
656   655  C    -12.375757   -0.563242   -9.399894    40   656   657   658   659
657   656  H    -11.413644   -0.295381   -8.869808    41   655
658   657  H    -12.210431   -1.515233   -9.892597    41   655
659   658  H    -12.541086    0.202119  -10.157385    41   655
660   659  O    -13.376886   -0.621225   -8.360859    38   655   660
661   660  H    -13.309462   -1.456180   -7.850244    39   659
662   661  C      3.856182  -13.178777   -5.719785    40   662   663   664   665
663   662  H      3.759061  -14.167705   -5.180057    41   661
664   663  H      4.546912  -13.287076   -6.626516    41   661
665   664  H      4.303800  -12.544569   -4.930568    41   661
666   665  O      2.691741  -12.583285   -6.153254    38   661   666
667   666  H      2.230767  -13.384492   -6.400798    39   665
668   667  C      9.805890   12.065602   -9.974868    40   668   669   670   671
669   668  H      9.267947   12.008190  -10.992185    41   667
670   669  H     10.847345   11.622251  -10.085073    41   667
671   670  H      9.209124   11.576898   -9.187822    41   667
672   671  O      9.917801   13.468315   -9.567902    38   667   672
673   672  H     10.584194   13.489105   -8.864293    39   671
674   673  C     13.595293   -1.988201   -6.684977    40   674   675   676   677
675   674  H     14.503489   -1.442153   -6.459648    41   673
676   675  H     13.465005   -2.883675   -6.015470    41   673
677   676  H     13.638067   -2.420376   -7.693673    41   673
678   677  O     12.496434   -1.052674   -6.584733    38   673   678
679   678  H     12.029702   -1.145119   -7.406072    39   677
680   679  C    -12.989482    1.139212   10.368591    40   680   681   682   683
681   680  H    -13.224398    0.862581   11.409393    41   679
682   681  H    -13.931240    1.080276    9.753889    41   679
683   682  H    -12.178375    0.429726    9.922120    41   679
684   683  O    -12.428298    2.402016   10.370753    38   679   684
685   684  H    -13.106549    2.845585    9.816723    39   683
686   685  C     13.182169   -4.905134   -9.263016    40   686   687   688   689
687   686  H     12.664707   -4.863244   -8.268868    41   685
688   687  H     14.183815   -4.589004   -9.047827    41   685
689   688  H     12.644628   -4.225484  -10.067858    41   685
690   689  O     13.228534   -6.309558   -9.678440    38   685   690
691   690  H     12.253258   -6.434112   -9.880238    39   689
692   691  C    -13.267611    9.428646   -9.211351    40   692   693   694   695
693   692  H    -13.751656    9.995931  -10.091678    41   691
694   693  H    -12.666470    8.616256   -9.707573    41   691
695   694  H    -14.024103    8.780645   -8.568916    41   691
696   695  O    -12.585554   10.382783   -8.396644    38   691   696
697   696  H    -11.909656    9.794547   -7.951005    39   695
698   697  C      2.950738    8.800303   -4.604935    40   698   699   700   701
699   698  H      2.303492    8.926054   -3.740664    41   697
700   699  H      3.772951    9.540711   -4.609393    41   697
701   700  H      2.343315    8.996800   -5.515206    41   697
702   701  O      3.467951    7.492870   -4.524632    38   697   702
703   702  H      2.879612    7.053127   -5.185922    39   701
704   703  C      0.749911    4.147547   10.205723    40   704   705   706   707
705   704  H      1.336908    3.195674   10.207092    41   703
706   705  H      1.400919    4.999289   10.249396    41   703
707   706  H      0.092597    3.968159   11.109904    41   703
708   707  O     -0.106684    4.120517    9.085368    38   703   708
709   708  H      0.406741    3.832380    8.338228    39   707
710   709  C      9.270965  -14.010520   14.010486    40   710   711   712   713
711   710  H     10.082429  -13.274532   13.819367    41   709
712   711  H      8.741915  -14.163077   13.038282    41   709
713   712  H      8.584384  -13.624951   14.805148    41   709
714   713  O      9.881311  -15.241252   14.485316    38   709   714
715   714  H     10.151838  -15.683126   13.631356    39   713
716   715  C     -9.940353   -6.199620  -10.191170    40   716   717   718   719
717   716  H    -10.691996   -6.886849   -9.729808    41   715
718   717  H     -9.564501   -5.478281   -9.420049    41   715
719   718  H    -10.393637   -5.649356  -11.077974    41   715
720   719  O     -8.845628   -6.943139  -10.720528    38   715   720
721   720  H     -9.274902   -7.626701  -11.295856    39   719
722   721  C     -2.916658   -6.942457    5.928689    40   722   723   724   725
723   722  H     -3.211714   -7.966677    5.607211    41   721
724   723  H     -3.852020   -6.393476    6.144938    41   721
725   724  H     -2.459634   -6.442398    5.019784    41   721
726   725  O     -2.077657   -6.882388    7.077020    38   721   726
727   726  H     -1.450237   -6.194724    6.914954    39   725
728   727  C     -3.317282   -8.748452   -9.284263    40   728   729   730   731
729   728  H     -2.327645   -8.409750   -9.617643    41   727
730   729  H     -3.529845   -9.773405   -9.552183    41   727
731   730  H     -4.016852   -8.131841   -9.899659    41   727
732   731  O     -3.287922   -8.451685   -7.915502    38   727   732
733   732  H     -4.155360   -8.751372   -7.595132    39   731
734   733  C      5.388610    5.907513  -14.727057    40   734   735   736   737
735   734  H      5.741457    4.873438  -14.857571    41   733
736   735  H      4.392678    6.008304  -15.255195    41   733
737   736  H      6.088646    6.620535  -15.230036    41   733
738   737  O      5.210572    6.065567  -13.337587    38   733   738
739   738  H      5.523743    7.050711  -13.228489    39   737
740   739  C     -1.185456    1.882363    3.083524    40   740   741   742   743
741   740  H     -1.083283    2.749490    2.380155    41   739
742   741  H     -0.832708    1.056661    2.535548    41   739
743   742  H     -2.247080    1.781762    3.405523    41   739
744   743  O     -0.297139    2.037891    4.185971    38   739   744
745   744  H      0.555496    2.318064    3.824340    39   743
746   745  C    -10.218335    9.517824   12.708609    40   746   747   748   749
747   746  H     -9.351639    9.210430   13.377743    41   745
748   747  H    -10.244112   10.645507   12.632516    41   745
749   748  H    -10.030695    8.972207   11.725584    41   745
750   749  O    -11.445445    9.184783   13.266739    38   745   750
751   750  H    -11.553337    9.726217   14.071005    39   749
752   751  C     -9.067269    4.593880   -6.957589    40   752   753   754   755
753   752  H     -8.174488    5.043154   -7.349676    41   751
754   753  H     -9.339594    3.733110   -7.574860    41   751
755   754  H     -9.996654    5.212966   -7.038638    41   751
756   755  O     -8.812692    4.038860   -5.656455    38   751   756
757   756  H     -9.505839    3.398591   -5.358705    39   755
758   757  C     13.505292    7.560115  -15.126865    40   758   759   760   761
759   758  H     14.366138    7.100229  -14.637789    41   757
760   759  H     13.547176    7.819664  -16.224565    41   757
761   760  H     13.365428    8.450462  -14.516493    41   757
762   761  O     12.294759    6.860585  -14.929612    38   757   762
763   762  H     12.123929    6.881910  -13.928295    39   761
764   763  C     -3.872358   -8.770534  -13.235959    40   764   765   766   767
765   764  H     -4.597601   -8.439091  -12.460414    41   763
766   765  H     -2.882185   -8.714333  -12.862323    41   763
767   766  H     -3.862613   -8.085346  -14.069974    41   763
768   767  O     -4.163950  -10.053351  -13.782650    38   763   768
769   768  H     -4.235980  -10.606018  -12.962680    39   767
770   769  C    -11.694746    2.106469    7.025787    40   770   771   772   773
771   770  H    -11.024220    2.328713    7.907288    41   769
772   771  H    -11.571640    2.831756    6.165464    41   769
773   772  H    -12.804108    2.173429    7.337597    41   769
774   773  O    -11.417767    0.665843    6.642550    38   769   774
775   774  H    -10.549694    0.763070    6.191031    39   773
776   775  C     -2.149549   13.112492   14.146819    40   776   777   778   779
777   776  H     -1.508031   13.569632   14.907372    41   775
778   777  H     -3.115990   12.997096   14.659668    41   775
779   778  H     -1.713583   12.148764   13.890538    41   775
780   779  O     -2.361468   13.904188   12.977058    38   775   780
781   780  H     -2.796687   14.712828   13.252238    39   779
782   781  C      9.264741   -2.398189   -6.401326    40   782   783   784   785
783   782  H      9.143794   -3.476024   -6.711504    41   781
784   783  H      8.931180   -1.640305   -7.139129    41   781
785   784  H     10.340666   -2.237200   -6.294174    41   781
786   785  O      8.566274   -2.182800   -5.182073    38   781   786
787   786  H      7.989155   -1.419374   -5.293868    39   785
788   787  C     -3.695401   11.490505    4.149566    40   788   789   790   791
789   788  H     -4.103752   10.652551    3.605759    41   787
790   789  H     -3.530734   12.195742    3.369772    41   787
791   790  H     -2.756433   11.298376    4.798616    41   787
792   791  O     -4.728236   11.875641    5.041739    38   787   792
793   792  H     -4.931412   11.198362    5.682720    39   791
794   793  C    -13.785559   -6.763797    0.763502    40   794   795   796   797
795   794  H    -13.866940   -7.656315    0.123685    41   793
796   795  H    -14.769025   -6.298275    1.030293    41   793
797   796  H    -13.187085   -6.021819    0.291091    41   793
798   797  O    -13.161019   -7.246884    1.985546    38   793   798
799   798  H    -13.842483   -7.118105    2.726750    39   797
800   799  C     -9.835784   -3.879295    2.081049    40   800   801   802   803
801   800  H     -9.000878   -3.494166    1.566681    41   799
802   801  H    -10.134351   -3.075196    2.900016    41   799
803   802  H     -9.401090   -4.927349    2.495028    41   799
804   803  O    -11.001342   -4.123564    1.209362    38   799   804
805   804  H    -11.717358   -4.263424    1.837147    39   803
806   805  C     -5.005702   -1.275444   -2.419989    40   806   807   808   809
807   806  H     -5.039590   -0.355862   -2.994395    41   805
808   807  H     -6.020828   -1.688250   -2.511726    41   805
809   808  H     -4.760505   -1.112950   -1.389478    41   805
810   809  O     -4.114195   -2.175724   -3.022814    38   805   810
811   810  H     -3.713672   -2.678681   -2.291478    39   809
812   811  C     10.026404  -13.337340  -10.228192    40   812   813   814   815
813   812  H      9.753324  -12.358414  -10.610961    41   811
814   813  H     10.308742  -13.437624   -9.160010    41   811
815   814  H     10.940056  -13.720597  -10.849974    41   811
816   815  O      8.988007  -14.240816  -10.506274    38   811   816
817   816  H      9.332656  -15.121160  -10.222967    39   815
818   817  C     -0.768562   -6.577463  -13.249845    40   818   819   820   821
819   818  H     -0.069992   -5.725388  -12.936852    41   817
820   819  H     -0.137607   -7.357285  -13.739164    41   817
821   820  H     -1.593847   -6.233081  -13.936945    41   817
822   821  O     -1.317547   -7.111343  -12.094570    38   817   822
823   822  H     -0.704890   -7.573378  -11.448221    39   821
824   823  C      4.048817   -2.555181    4.554567    40   824   825   826   827
825   824  H      4.719343   -3.339225    4.958766    41   823
826   825  H      3.410812   -3.045969    3.746231    41   823
827   826  H      4.687185   -1.770572    4.175494    41   823
828   827  O      3.387706   -1.936776    5.669362    38   823   828
829   828  H      3.039292   -2.650432    6.278034    39   827
830   829  C    -12.644374   -3.628097  -12.184623    40   830   831   832   833
831   830  H    -12.370249   -3.316075  -11.124773    41   829
832   831  H    -13.690801   -3.305105  -12.405111    41   829
833   832  H    -12.794685   -4.683751  -12.160170    41   829
834   833  O    -11.837771   -3.235547  -13.209974    38   829   834
835   834  H    -11.937278   -2.281910  -13.270162    39   833
836   835  C      4.707486   -0.678661   -7.151480    40   836   837   838   839
837   836  H      5.253330    0.298990   -7.004735    41   835
838   837  H      4.834620   -1.091767   -8.162022    41   835
839   838  H      3.645352   -0.449143   -7.086716    41   835
840   839  O      5.025522   -1.510211   -6.037172    38   835   840
841   840  H      5.667682   -1.065622   -5.487011    39   839
842   841  C     -5.878388   -9.446818   -0.449979    40   842   843   844   845
843   842  H     -5.157800   -8.577086   -0.392444    41   841
844   843  H     -6.683039   -9.254847   -1.160676    41   841
845   844  H     -6.450996   -9.495977    0.489903    41   841
846   845  O     -5.238540  -10.672794   -0.739605    38   841   846
847   846  H     -6.002028  -11.253438   -1.067805    39   845
848   847  C      8.758955  -10.709640   15.311145    40   848   849   850   851
849   848  H      9.557221  -11.413846   15.036819    41   847
850   849  H      9.078519   -9.675520   15.090455    41   847
851   850  H      8.493006  -10.838639   16.402791    41   847
852   851  O      7.561860  -11.013490   14.620710    38   847   852
853   852  H      7.151779  -11.864321   14.923271    39   851
854   853  C    -11.197511   -9.833271   -8.675495    40   854   855   856   857
855   854  H    -11.509931  -10.895894   -8.485735    41   853
856   855  H    -10.456617   -9.881589   -9.533215    41   853
857   856  H    -10.742026   -9.462741   -7.685628    41   853
858   857  O    -12.193372   -8.923599   -9.097717    38   853   858
859   858  H    -12.966069   -9.274287   -8.624120    39   857
860   859  C     -5.025184   -0.259766    4.865707    40   860   861   862   863
861   860  H     -5.781992   -0.365268    5.668790    41   859
862   861  H     -3.986000   -0.195033    5.290471    41   859
863   862  H     -5.353955    0.684986    4.311401    41   859
864   863  O     -5.145805   -1.473838    3.987821    38   859   864
865   864  H     -4.965568   -2.233137    4.581475    39   863
866   865  C     -8.975382   -7.259380   14.978642    40   866   867   868   869
867   866  H    -10.079184   -7.065476   14.832237    41   865
868   867  H     -8.782213   -8.250029   14.600237    41   865
869   868  H     -8.716651   -7.419654   16.123977    41   865
870   869  O     -8.167555   -6.238824   14.344213    38   865   870
871   870  H     -8.294396   -6.418681   13.379520    39   869
872   871  C    -11.124818   10.117838   -2.483197    40   872   873   874   875
873   872  H    -11.754972    9.783508   -3.357106    41   871
874   873  H    -10.144342   10.234867   -2.931931    41   871
875   874  H    -11.202392    9.260137   -1.741313    41   871
876   875  O    -11.487489   11.372903   -1.968574    38   871   876
877   876  H    -10.714688   11.716096   -1.524685    39   875
878   877  C      2.890506    6.946871  -10.640755    40   878   879   880   881
879   878  H      3.469743    7.816292  -10.576565    41   877
880   879  H      2.219967    7.012421  -11.493563    41   877
881   880  H      2.237831    6.895926   -9.703195    41   877
882   881  O      3.774301    5.804626  -10.737814    38   877   882
883   882  H      4.276254    5.941000  -11.551568    39   881
884   883  C      7.016731   15.171425    7.604177    40   884   885   886   887
885   884  H      6.556619   16.181536    7.598176    41   883
886   885  H      8.119081   15.198230    7.461926    41   883
887   886  H      6.557617   14.572633    6.792514    41   883
888   887  O      6.723975   14.549747    8.869361    38   883   888
889   888  H      5.770962   14.568061    9.099891    39   887
890   889  C      4.822162    1.292698    7.756051    40   890   891   892   893
891   890  H      3.973170    1.280424    7.005519    41   889
892   891  H      4.508858    1.741296    8.733793    41   889
893   892  H      5.782113    1.813986    7.408559    41   889
894   893  O      5.111305   -0.097960    7.977516    38   889   894
895   894  H      4.614652   -0.596965    7.275257    39   893
896   895  C      3.445156    6.473074   12.057759    40   896   897   898   899
897   896  H      3.385405    5.457161   12.560874    41   895
898   897  H      4.012651    6.437700   11.094185    41   895
899   898  H      4.006591    7.144628   12.746793    41   895
900   899  O      2.138975    6.930546   11.811908    38   895   900
901   900  H      2.072823    7.803231   11.516700    39   899
902   901  C     -1.518378    2.731169  -10.576958    40   902   903   904   905
903   902  H     -1.887745    3.707455  -10.377123    41   901
904   903  H     -2.090793    2.301441  -11.426948    41   901
905   904  H     -1.766888    2.060509   -9.706374    41   901
906   905  O     -0.137187    2.785000  -10.859187    38   901   906
907   906  H      0.256226    3.227135  -10.146144    39   905
908   907  C      6.849748   14.397810   -7.663217    40   908   909   910   911
909   908  H      6.816576   14.330430   -8.826647    41   907
910   909  H      6.112434   15.115254   -7.245898    41   907
911   910  H      7.930370   14.705101   -7.427680    41   907
912   911  O      6.556934   13.182119   -7.078012    38   907   912
913   912  H      6.576195   12.490161   -7.748223    39   911
914   913  C      7.239800    0.763688   -8.957984    40   914   915   916   917
915   914  H      7.808380    0.047267   -9.570213    41   913
916   915  H      6.196742    0.452589   -8.853070    41   913
917   916  H      7.328738    1.818219   -9.382569    41   913
918   917  O      7.753731    0.741976   -7.624571    38   913   918
919   918  H      8.645191    1.208633   -7.677638    39   917
920   919  C      7.184423    8.628364    8.348248    40   920   921   922   923
921   920  H      7.742509    7.894820    7.711832    41   919
922   921  H      6.636121    9.346040    7.703005    41   919
923   922  H      7.972004    9.120369    8.957854    41   919
924   923  O      6.251712    7.814001    9.081156    38   919   924
925   924  H      6.788447    7.165939    9.592226    39   923
926   925  C     -4.728053    4.729741   -8.761115    40   926   927   928   929
927   926  H     -4.373881    3.874566   -8.106145    41   925
928   927  H     -4.518083    5.685179   -8.224587    41   925
929   928  H     -5.817386    4.586595   -8.974778    41   925
930   929  O     -4.042850    4.779472  -10.004136    38   925   930
931   930  H     -4.324011    4.017243  -10.598596    39   929
932   931  C    -13.857946   14.052495   -1.984678    40   932   933   934   935
933   932  H    -13.174912   13.408331   -2.623739    41   931
934   933  H    -13.271473   14.701812   -1.386122    41   931
935   934  H    -14.470769   13.397260   -1.330242    41   931
936   935  O    -14.719906   14.803508   -2.788292    38   931   936
937   936  H    -15.545858   14.319998   -2.864340    39   935
938   937  C    -14.084088   11.364620   -4.800495    40   938   939   940   941
939   938  H    -14.467724   10.314910   -4.942896    41   937
940   939  H    -13.785239   11.538954   -3.675015    41   937
941   940  H    -14.927748   12.047764   -5.113960    41   937
942   941  O    -12.970967   11.593745   -5.633220    38   937   942
943   942  H    -13.365419   11.365540   -6.517987    39   941
944   943  C     11.713756   10.848080  -14.813929    40   944   945   946   947
945   944  H     11.620052    9.722455  -15.096267    41   943
946   945  H     10.741558   11.175555  -14.296550    41   943
947   946  H     11.770081   11.324825  -15.824133    41   943
948   947  O     12.837048   11.188495  -14.015609    38   943   948
949   948  H     13.619295   11.383034  -14.585824    39   947
950   949  C      7.567623   -4.220499    3.188059    40   950   951   952   953
951   950  H      7.981003   -4.981647    3.831589    41   949
952   951  H      8.279524   -4.078953    2.332469    41   949
953   952  H      7.414317   -3.228551    3.698133    41   949
954   953  O      6.307336   -4.807937    2.679256    38   949   954
955   954  H      6.043144   -4.234630    1.943748    39   953
956   955  C     -6.521508  -15.237817    6.149061    40   956   957   958   959
957   956  H     -6.497026  -16.250581    5.707455    41   955
958   957  H     -5.563264  -14.662713    6.016196    41   955
959   958  H     -6.659724  -15.224069    7.274031    41   955
960   959  O     -7.604051  -14.600241    5.544573    38   955   960
961   960  H     -7.554728  -13.639056    5.742357    39   959
962   961  C     11.226866   -4.472841    0.292091    40   962   963   964   965
963   962  H     11.866561   -4.610280   -0.675103    41   961
964   963  H     10.234876   -4.304520   -0.104240    41   961
965   964  H     11.618567   -3.620887    0.958618    41   961
966   965  O     11.229093   -5.669776    1.066960    38   961   966
967   966  H     10.851149   -6.377325    0.463627    39   965
968   967  C    -11.331438   -8.607571   12.740738    40   968   969   970   971
969   968  H    -11.557393   -8.624109   13.776198    41   967
970   969  H    -10.356819   -8.082343   12.606959    41   967
971   970  H    -12.021506   -8.006005   12.099665    41   967
972   971  O    -11.230867   -9.930816   12.276895    38   967   972
973   972  H    -10.513403   -9.916517   11.562136    39   971
974   973  C     -2.104275   11.405982    7.599035    40   974   975   976   977
975   974  H     -1.657832   10.536903    7.130379    41   973
976   975  H     -2.470320   11.909565    6.701622    41   973
977   976  H     -1.304042   12.064479    8.088550    41   973
978   977  O     -3.189939   11.096490    8.408880    38   973   978
979   978  H     -2.885927   10.633978    9.236845    39   977
980   979  C     12.718070   -6.283334   -5.081809    40   980   981   982   983
981   980  H     12.322360   -6.695612   -6.010521    41   979
982   981  H     13.057382   -7.177524   -4.469609    41   979
983   982  H     11.888563   -5.713536   -4.541162    41   979
984   983  O     13.831404   -5.436035   -5.353688    38   979   984
985   984  H     14.428988   -5.887001   -5.895935    39   983
986   985  C      8.967361   -3.400712  -13.262706    40   986   987   988   989
987   986  H      8.757545   -3.121401  -14.429342    41   985
988   987  H      8.756015   -2.551003  -12.633334    41   985
989   988  H     10.017093   -3.636136  -13.103283    41   985
990   989  O      8.173272   -4.436194  -12.792753    38   985   990
991   990  H      7.299292   -4.369769  -13.218157    39   989
992   991  C    -12.229320   11.080036    9.894139    40   992   993   994   995
993   992  H    -13.128401   10.777014   10.422293    41   991
994   993  H    -12.637951   11.340855    8.879595    41   991
995   994  H    -11.417894   10.264274    9.862996    41   991
996   995  O    -11.648404   12.323964   10.398424    38   991   996
997   996  H    -10.877101   12.507723    9.839121    39   995
998   997  C     -6.844521  -13.891926  -13.313576    40   998   999  1000  1001
999   998  H     -7.183667  -13.693050  -12.279732    41   997
1000   999  H     -5.941675  -13.322922  -13.406174    41   997
1001  1000  H     -7.579485  -13.470930  -14.090919    41   997
1002  1001  O     -6.526695  -15.243275  -13.486524    38   997  1002
1003  1002  H     -6.394090  -15.344112  -14.444725    39  1001
1004  1003  C      2.956507   10.633506  -14.316593    40  1004  1005  1006  1007
1005  1004  H      2.355918   11.426327  -13.728142    41  1003
1006  1005  H      2.804841   10.806797  -15.412454    41  1003
1007  1006  H      2.618696    9.618650  -14.025235    41  1003
1008  1007  O      4.350988   10.869683  -14.097878    38  1003  1008
1009  1008  H      4.544322   11.849894  -14.307546    39  1007
1010  1009  C     -2.636506   -6.594496   -1.323684    40  1010  1011  1012  1013
1011  1010  H     -1.665752   -6.791826   -0.962142    41  1009
1012  1011  H     -3.461493   -6.968678   -0.599209    41  1009
1013  1012  H     -2.777763   -7.240541   -2.241583    41  1009
1014  1013  O     -2.687111   -5.288338   -1.792659    38  1009  1014
1015  1014  H     -3.053842   -4.736464   -1.085161    39  1013
1016  1015  C     -6.940383   -7.834417    3.328024    40  1016  1017  1018  1019
1017  1016  H     -6.848459   -7.312401    2.371907    41  1015
1018  1017  H     -7.686960   -8.673874    3.254718    41  1015
1019  1018  H     -7.358509   -7.136572    4.112046    41  1015
1020  1019  O     -5.701583   -8.272229    3.709135    38  1015  1020
1021  1020  H     -5.123827   -7.520058    3.521705    39  1019
1022  1021  C     12.266663    3.218000  -14.142560    40  1022  1023  1024  1025
1023  1022  H     12.847123    2.359259  -14.624134    41  1021
1024  1023  H     11.619601    3.505309  -14.925229    41  1021
1025  1024  H     13.011697    4.043397  -13.985023    41  1021
1026  1025  O     11.651534    2.773498  -12.949854    38  1021  1026
1027  1026  H     10.984535    3.412631  -12.737041    39  1025
1028  1027  C     -3.026245   -1.515972   14.267735    40  1028  1029  1030  1031
1029  1028  H     -3.839560   -0.944239   14.715229    41  1027
1030  1029  H     -2.289988   -0.864169   13.679078    41  1027
1031  1030  H     -3.449063   -2.314126   13.630351    41  1027
1032  1031  O     -2.290179   -2.055984   15.410227    38  1027  1032
1033  1032  H     -2.619841   -2.953339   15.688892    39  1031
1034  1033  C     13.439478   -3.408522  -13.860561    40  1034  1035  1036  1037
1035  1034  H     12.343954   -3.682347  -14.034944    41  1033
1036  1035  H     13.938679   -4.129867  -13.204037    41  1033
1037  1036  H     13.565868   -2.448880  -13.326200    41  1033
1038  1037  O     14.072207   -3.323311  -15.137917    38  1033  1038
1039  1038  H     14.862258   -2.714123  -14.895505    39  1037
1040  1039  C     -1.192768   -4.569610   -9.832355    40  1040  1041  1042  1043
1041  1040  H     -0.402976   -4.595278  -10.664356    41  1039
1042  1041  H     -1.616107   -5.585832   -9.603923    41  1039
1043  1042  H     -2.016349   -3.856990  -10.084140    41  1039
1044  1043  O     -0.553802   -4.032630   -8.665518    38  1039  1044
1045  1044  H      0.255896   -4.429104   -8.624168    39  1043
1046  1045  C      4.313699  -15.629289    5.386994    40  1046  1047  1048  1049
1047  1046  H      5.184220  -16.293687    5.225037    41  1045
1048  1047  H      4.218003  -15.568383    6.479323    41  1045
1049  1048  H      3.463882  -16.066767    4.856524    41  1045
1050  1049  O      4.621722  -14.323126    4.845037    38  1045  1050
1051  1050  H      3.800873  -13.832239    4.669655    39  1049
1052  1051  C      2.587301  -12.347353    7.879258    40  1052  1053  1054  1055
1053  1052  H      2.890449  -11.278369    8.039452    41  1051
1054  1053  H      3.329444  -12.818335    7.196756    41  1051
1055  1054  H      1.494427  -12.384943    7.500322    41  1051
1056  1055  O      2.639522  -13.027626    9.064883    38  1051  1056
1057  1056  H      2.459092  -12.424831    9.827539    39  1055
1058  1057  C    -12.029808   15.029132   -6.227625    40  1058  1059  1060  1061
1059  1058  H    -13.156893   14.936928   -6.098086    41  1057
1060  1059  H    -11.755715   16.057144   -5.795085    41  1057
1061  1060  H    -11.851474   14.898727   -7.288603    41  1057
1062  1061  O    -11.442345   14.001277   -5.443097    38  1057  1062
1063  1062  H    -11.999708   13.184028   -5.506969    39  1061
1064  1063  C     -3.590182   11.523766   -4.209412    40  1064  1065  1066  1067
1065  1064  H     -4.137886   12.350143   -3.656787    41  1063
1066  1065  H     -4.284823   10.752378   -4.736514    41  1063
1067  1066  H     -3.066242   10.984337   -3.418660    41  1063
1068  1067  O     -2.687263   12.130167   -5.092887    38  1063  1068
1069  1068  H     -1.849422   12.126893   -4.581828    39  1067
1070  1069  C    -11.993824   -4.064241    5.044770    40  1070  1071  1072  1073
1071  1070  H    -10.956856   -4.554782    5.246052    41  1069
1072  1071  H    -11.892981   -2.919623    4.844070    41  1069
1073  1072  H    -12.796215   -4.127862    5.884450    41  1069
1074  1073  O    -12.559671   -4.818181    3.912591    38  1069  1074
1075  1074  H    -13.415286   -5.144461    4.283801    39  1073
1076  1075  C     11.941570   10.408278    6.829008    40  1076  1077  1078  1079
1077  1076  H     11.549687   10.813857    5.878202    41  1075
1078  1077  H     12.222851    9.337974    6.858148    41  1075
1079  1078  H     11.096420   10.559953    7.536653    41  1075
1080  1079  O     13.021523   11.239413    7.287495    38  1075  1080
1081  1080  H     13.262252   10.791136    8.223106    39  1079
1082  1081  C      2.685354   -9.286698    1.368816    40  1082  1083  1084  1085
1083  1082  H      2.811481   -8.208838    1.229175    41  1081
1084  1083  H      3.550910   -9.670354    1.948251    41  1081
1085  1084  H      2.742502   -9.690078    0.349597    41  1081
1086  1085  O      1.444581   -9.698114    1.928423    38  1081  1086
1087  1086  H      1.544272   -9.581637    2.855573    39  1085
1088  1087  C     -5.916220   11.670663  -15.214654    40  1088  1089  1090  1091
1089  1088  H     -6.576183   10.818432  -15.405806    41  1087
1090  1089  H     -6.369511   12.649796  -15.560811    41  1087
1091  1090  H     -5.012710   11.443775  -15.792318    41  1087
1092  1091  O     -5.360961   11.603925  -13.926495    38  1087  1092
1093  1092  H     -5.633934   12.352423  -13.405551    39  1091
1094  1093  C     15.350630  -11.253369  -11.511901    40  1094  1095  1096  1097
1095  1094  H     14.856054  -10.538690  -12.211942    41  1093
1096  1095  H     16.021361  -10.675052  -10.839986    41  1093
1097  1096  H     15.866786  -12.046440  -12.087690    41  1093
1098  1097  O     14.321753  -11.878911  -10.817482    38  1093  1098
1099  1098  H     13.602511  -11.820390  -11.471020    39  1097
1100  1099  C     -5.912380   -4.171848   -0.174221    40  1100  1101  1102  1103
1101  1100  H     -6.175343   -4.256256    0.962767    41  1099
1102  1101  H     -6.511959   -3.396330   -0.616248    41  1099
1103  1102  H     -6.077573   -5.167363   -0.737150    41  1099
1104  1103  O     -4.645037   -3.664358   -0.466106    38  1099  1104
1105  1104  H     -4.340683   -3.012813    0.234718    39  1103
1106  1105  C      6.216391    4.369687   10.623854    40  1106  1107  1108  1109
1107  1106  H      5.199888    4.581710   10.176660    41  1105
1108  1107  H      6.756990    3.514458   10.052200    41  1105
1109  1108  H      6.183109    3.903242   11.607302    41  1105
1110  1109  O      7.056288    5.494125   10.540220    38  1105  1110
1111  1110  H      7.936317    5.106565   10.219699    39  1109
1112  1111  C      5.209119   13.104085   13.333260    40  1112  1113  1114  1115
1113  1112  H      5.533838   14.139241   13.061194    41  1111
1114  1113  H      6.070814   12.410953   13.643721    41  1111
1115  1114  H      4.743232   12.577017   12.425972    41  1111
1116  1115  O      4.354667   13.278825   14.423397    38  1111  1116
1117  1116  H      3.544412   13.533805   13.929833    39  1115
1118  1117  C     -2.952804    2.889425    7.272410    40  1118  1119  1120  1121
1119  1118  H     -3.826761    2.283660    7.107869    41  1117
1120  1119  H     -3.259759    3.882776    7.580734    41  1117
1121  1120  H     -2.340720    2.866318    6.307497    41  1117
1122  1121  O     -2.247117    2.262236    8.337148    38  1117  1122
1123  1122  H     -1.617554    2.943151    8.671823    39  1121
1124  1123  C    -10.291932   -3.368996    8.750854    40  1124  1125  1126  1127
1125  1124  H    -10.517519   -3.373828    7.674974    41  1123
1126  1125  H     -9.209231   -3.310040    8.839364    41  1123
1127  1126  H    -10.572446   -4.370595    9.238380    41  1123
1128  1127  O    -10.850643   -2.327217    9.495557    38  1123  1128
1129  1128  H    -11.647034   -2.000461    9.015386    39  1127
1130  1129  C     -1.934453   -9.267801    1.924501    40  1130  1131  1132  1133
1131  1130  H     -1.337866  -10.102542    2.371827    41  1129
1132  1131  H     -2.925924   -8.924706    2.311896    41  1129
1133  1132  H     -2.162404   -9.600796    0.905885    41  1129
1134  1133  O     -1.051414   -8.162695    1.587901    38  1129  1134
1135  1134  H     -0.174938   -8.551735    1.505827    39  1133
1136  1135  C     -2.337312   -0.778957  -11.494344    40  1136  1137  1138  1139
1137  1136  H     -3.279966   -1.363116  -11.529486    41  1135
1138  1137  H     -1.454037   -1.407527  -11.475527    41  1135
1139  1138  H     -2.348934   -0.011030  -10.653726    41  1135
1140  1139  O     -2.125345   -0.041527  -12.717397    38  1135  1140
1141  1140  H     -1.910938   -0.630246  -13.459262    39  1139
1142  1141  C      4.414948   12.299868   -1.170667    40  1142  1143  1144  1145
1143  1142  H      5.013988   13.120239   -0.876288    41  1141
1144  1143  H      4.958816   11.324121   -1.114407    41  1141
1145  1144  H      4.397379   12.454180   -2.305263    41  1141
1146  1145  O      3.090848   12.361616   -0.659039    38  1141  1146
1147  1146  H      3.131144   12.416108    0.268656    39  1145
1148  1147  C     -7.853053    6.517035   -3.394696    40  1148  1149  1150  1151
1149  1148  H     -7.340349    5.712593   -2.879428    41  1147
1150  1149  H     -7.142632    6.882758   -4.202534    41  1147
1151  1150  H     -7.909768    7.348878   -2.692979    41  1147
1152  1151  O     -9.084975    6.163872   -3.844944    38  1147  1152
1153  1152  H     -9.009543    5.439472   -4.519054    39  1151
1154  1153  C     -5.236153    8.412495  -13.322947    40  1154  1155  1156  1157
1155  1154  H     -4.376470    8.074719  -12.700130    41  1153
1156  1155  H     -5.764793    7.461543  -13.719160    41  1153
1157  1156  H     -4.858334    9.068581  -14.158799    41  1153
1158  1157  O     -6.184939    9.117069  -12.473656    38  1153  1158
1159  1158  H     -6.025392   10.060449  -12.584548    39  1157
1160  1159  C    -14.280353    2.618602   -7.069430    40  1160  1161  1162  1163
1161  1160  H    -15.064016    2.141529   -6.457447    41  1159
1162  1161  H    -14.851247    3.197879   -7.819391    41  1159
1163  1162  H    -13.653590    1.716111   -7.487020    41  1159
1164  1163  O    -13.508934    3.386236   -6.157401    38  1159  1164
1165  1164  H    -14.010118    3.528664   -5.373126    39  1163
1166  1165  C     -3.178559   -0.652569    1.398787    40  1166  1167  1168  1169
1167  1166  H     -2.402621   -0.401370    2.128917    41  1165
1168  1167  H     -2.701224   -0.602488    0.410894    41  1165
1169  1168  H     -3.819550    0.253732    1.458644    41  1165
1170  1169  O     -3.727801   -1.919371    1.601395    38  1165  1170
1171  1170  H     -4.182011   -1.834121    2.461738    39  1169
1172  1171  C     -6.480007    5.038779  -12.901014    40  1172  1173  1174  1175
1173  1172  H     -6.583280    4.371276  -11.979108    41  1171
1174  1173  H     -5.438047    5.382556  -13.045774    41  1171
1175  1174  H     -7.169864    5.882875  -12.700515    41  1171
1176  1175  O     -6.849149    4.269387  -13.987198    38  1171  1176
1177  1176  H     -6.497957    3.359749  -13.965708    39  1175
1178  1177  C      8.399986   -7.426402   -3.935809    40  1178  1179  1180  1181
1179  1178  H      7.378048   -7.736054   -4.163842    41  1177
1180  1179  H      8.777244   -6.981635   -4.822858    41  1177
1181  1180  H      9.049858   -8.306090   -3.665634    41  1177
1182  1181  O      8.431884   -6.483859   -2.859586    38  1177  1182
1183  1182  H      7.970819   -5.664561   -3.271883    39  1181
1184  1183  C     10.458319    5.759649    9.045865    40  1184  1185  1186  1187
1185  1184  H     10.463732    6.585487    9.797915    41  1183
1186  1185  H     11.515586    5.284975    9.039925    41  1183
1187  1186  H     10.159473    6.110588    8.011646    41  1183
1188  1187  O      9.632991    4.694548    9.482246    38  1183  1188
1189  1188  H      9.151823    4.487664    8.657293    39  1187
1190  1189  C     -5.971556    1.170869  -10.225370    40  1190  1191  1192  1193
1191  1190  H     -6.312070    1.419064   -9.169763    41  1189
1192  1191  H     -6.821276    0.804960  -10.838769    41  1189
1193  1192  H     -5.250238    0.336509  -10.410680    41  1189
1194  1193  O     -5.473625    2.327000  -10.911508    38  1189  1194
1195  1194  H     -5.693248    2.145397  -11.825403    39  1193
1196  1195  C      7.820160   -1.674395    7.359051    40  1196  1197  1198  1199
1197  1196  H      8.203326   -1.542345    8.362406    41  1195
1198  1197  H      6.872869   -1.141553    7.173337    41  1195
1199  1198  H      7.769114   -2.768214    7.267784    41  1195
1200  1199  O      8.762461   -1.179659    6.396586    38  1195  1200
1201  1200  H      8.302978   -1.105376    5.549440    39  1199
1202  1201  C     -1.242810    6.715132  -11.004550    40  1202  1203  1204  1205
1203  1202  H     -1.673134    6.692391   -9.941583    41  1201
1204  1203  H     -2.138705    6.918547  -11.704320    41  1201
1205  1204  H     -0.798121    5.728194  -11.196184    41  1201
1206  1205  O     -0.292232    7.750601  -11.281631    38  1201  1206
1207  1206  H     -0.825598    8.516331  -11.459989    39  1205
1208  1207  C     -3.508271    2.824709   -5.164371    40  1208  1209  1210  1211
1209  1208  H     -4.320350    2.938487   -5.927623    41  1207
1210  1209  H     -3.487996    1.867833   -4.578466    41  1207
1211  1210  H     -3.687448    3.666356   -4.479610    41  1207
1212  1211  O     -2.312561    2.880474   -5.963575    38  1207  1212
1213  1212  H     -2.280843    2.068080   -6.521611    39  1211
1214  1213  C     -6.674574    9.306536   -5.955630    40  1214  1215  1216  1217
1215  1214  H     -7.347043    8.678673   -6.648958    41  1213
1216  1215  H     -7.258505    9.790035   -5.135054    41  1213
1217  1216  H     -6.090504   10.030059   -6.616456    41  1213
1218  1217  O     -5.696129    8.418330   -5.460768    38  1213  1218
1219  1218  H     -4.917606    8.637068   -6.032345    39  1217
1220  1219  C    -14.814848    0.088316   -2.285733    40  1220  1221  1222  1223
1221  1220  H    -14.960963    0.094691   -1.195617    41  1219
1222  1221  H    -15.810662    0.289665   -2.843964    41  1219
1223  1222  H    -14.436439   -0.954137   -2.636061    41  1219
1224  1223  O    -13.879392    1.165065   -2.601644    38  1219  1224
1225  1224  H    -14.527135    1.993571   -2.675344    39  1223
1226  1225  C      7.609581  -13.471142    4.460843    40  1226  1227  1228  1229
1227  1226  H      7.537436  -14.542330    4.868260    41  1225
1228  1227  H      7.250073  -13.438502    3.434528    41  1225
1229  1228  H      8.702129  -13.180204    4.489297    41  1225
1230  1229  O      6.782949  -12.666348    5.288300    38  1225  1230
1231  1230  H      5.976321  -13.218955    5.412485    39  1229
1232  1231  C     -6.059242   -5.614276   -9.260037    40  1232  1233  1234  1235
1233  1232  H     -6.286065   -4.822842   -9.992933    41  1231
1234  1233  H     -6.559422   -5.758752   -8.235484    41  1231
1235  1234  H     -4.964659   -5.455656   -8.936244    41  1231
1236  1235  O     -6.227382   -6.893200   -9.930192    38  1231  1236
1237  1236  H     -7.175326   -7.032623  -10.131834    39  1235
1238  1237  C     10.253985   -8.412116    3.274729    40  1238  1239  1240  1241
1239  1238  H      9.477528   -8.927273    2.709291    41  1237
1240  1239  H      9.904711   -8.174294    4.320502    41  1237
1241  1240  H     10.432387   -7.408446    2.721022    41  1237
1242  1241  O     11.427979   -9.211865    3.351741    38  1237  1242
1243  1242  H     11.840158   -9.149807    2.506126    39  1241
1244  1243  C     -7.197628   -9.561428   -7.929456    40  1244  1245  1246  1247
1245  1244  H     -8.229817   -9.130595   -8.162774    41  1243
1246  1245  H     -7.003805  -10.235048   -8.803656    41  1243
1247  1246  H     -7.158916  -10.175314   -6.998395    41  1243
1248  1247  O     -6.089924   -8.669990   -7.849554    38  1243  1248
1249  1248  H     -6.094989   -8.142335   -8.641173    39  1247
1250  1249  C      2.166964  -11.773476   12.748149    40  1250  1251  1252  1253
1251  1250  H      3.047310  -12.422432   13.010445    41  1249
1252  1251  H      2.513478  -10.729088   12.933778    41  1249
1253  1252  H      1.366793  -11.949284   13.506809    41  1249
1254  1253  O      1.527106  -11.921325   11.487689    38  1249  1254
1255  1254  H      1.031774  -11.124085   11.303951    39  1253
1256  1255  C      1.966019    5.289989   -7.213729    40  1256  1257  1258  1259
1257  1256  H      1.333206    4.977886   -8.067936    41  1255
1258  1257  H      2.884441    5.638947   -7.738406    41  1255
1259  1258  H      2.153694    4.412082   -6.562507    41  1255
1260  1259  O      1.410913    6.377635   -6.498985    38  1255  1260
1261  1260  H      0.489140    6.141726   -6.463426    39  1259
1262  1261  C      7.038984    9.181660  -12.586881    40  1262  1263  1264  1265
1263  1262  H      6.885749   10.264530  -12.277153    41  1261
1264  1263  H      7.402352    8.614731  -11.705856    41  1261
1265  1264  H      7.843759    9.198095  -13.351189    41  1261
1266  1265  O      5.867264    8.679969  -13.146145    38  1261  1266
1267  1266  H      5.400762    9.515055  -13.513477    39  1265
1268  1267  C      5.638723    4.786145   -8.234687    40  1268  1269  1270  1271
1269  1268  H      5.192956    5.197515   -7.290741    41  1267
1270  1269  H      6.419971    4.151119   -7.702314    41  1267
1271  1270  H      6.071832    5.666662   -8.759065    41  1267
1272  1271  O      4.802349    3.878736   -8.980207    38  1267  1272
1273  1272  H      4.480134    4.396184   -9.642705    39  1271
1274  1273  C      6.700342   -2.269108   12.340390    40  1274  1275  1276  1277
1275  1274  H      6.810996   -1.237091   12.777164    41  1273
1276  1275  H      7.172666   -2.195310   11.323332    41  1273
1277  1276  H      5.642755   -2.561125   12.101001    41  1273
1278  1277  O      7.431784   -3.260758   13.009473    38  1273  1278
1279  1278  H      7.629930   -3.881971   12.230841    39  1277
1280  1279  C     14.710009  -12.518740   -5.352188    40  1280  1281  1282  1283
1281  1280  H     15.535144  -13.192218   -5.521073    41  1279
1282  1281  H     14.178057  -12.754978   -4.384952    41  1279
1283  1282  H     14.029688  -12.621784   -6.307904    41  1279
1284  1283  O     15.195790  -11.190901   -5.269680    38  1279  1284
1285  1284  H     16.028807  -11.256204   -4.821919    39  1283
1286  1285  C      3.362537   -5.953078    3.258076    40  1286  1287  1288  1289
1287  1286  H      4.265072   -5.399459    3.469544    41  1285
1288  1287  H      3.664267   -6.563268    2.428315    41  1285
1289  1288  H      2.508457   -5.250528    3.069717    41  1285
1290  1289  O      2.926653   -6.768301    4.400280    38  1285  1290
1291  1290  H      3.733653   -6.803629    5.028974    39  1289
1292  1291  C     -6.522685    2.949530   -2.854870    40  1292  1293  1294  1295
1293  1292  H     -6.239103    1.952890   -2.487841    41  1291
1294  1293  H     -7.155917    2.771197   -3.761795    41  1291
1295  1294  H     -5.534459    3.554418   -3.124482    41  1291
1296  1295  O     -7.204584    3.654510   -1.840963    38  1291  1296
1297  1296  H     -8.137792    3.402646   -1.891374    39  1295
1298  1297  C     -1.220583   -8.302159   -4.732015    40  1298  1299  1300  1301
1299  1298  H     -0.482078   -7.956319   -3.921991    41  1297
1300  1299  H     -2.273646   -7.923845   -4.502508    41  1297
1301  1300  H     -1.227638   -9.389635   -4.801235    41  1297
1302  1301  O     -0.788260   -7.783148   -5.946515    38  1297  1302
1303  1302  H     -1.488686   -7.985228   -6.628150    39  1301
1304  1303  C     14.808838   -7.246856    5.551778    40  1304  1305  1306  1307
1305  1304  H     15.753742   -7.781439    5.841894    41  1303
1306  1305  H     14.322780   -6.591128    6.365728    41  1303
1307  1306  H     14.213264   -8.039950    5.089418    41  1303
1308  1307  O     15.064481   -6.356911    4.478148    38  1303  1308
1309  1308  H     14.241835   -6.027171    4.132891    39  1307
1310  1309  C      4.957893   -5.433689   -2.197427    40  1310  1311  1312  1313
1311  1310  H      4.289316   -5.806434   -1.365159    41  1309
1312  1311  H      4.574184   -5.352275   -3.215094    41  1309
1313  1312  H      5.774583   -6.251172   -2.272514    41  1309
1314  1313  O      5.614710   -4.217095   -1.864893    38  1309  1314
1315  1314  H      6.136599   -4.097001   -2.599763    39  1313
1316  1315  C     -8.534818   13.060789   -6.202095    40  1316  1317  1318  1319
1317  1316  H     -8.827046   11.982014   -6.155743    41  1315
1318  1317  H     -9.113926   13.592424   -6.964069    41  1315
1319  1318  H     -7.433192   13.077302   -6.552551    41  1315
1320  1319  O     -8.647587   13.723490   -5.011011    38  1315  1320
1321  1320  H     -9.619220   13.938064   -5.002960    39  1319
1322  1321  C    -15.655280    4.618385    8.453916    40  1322  1323  1324  1325
1323  1322  H    -16.250609    3.710497    8.521897    41  1321
1324  1323  H    -16.109688    5.481446    9.125307    41  1321
1325  1324  H    -15.872909    5.009922    7.464225    41  1321
1326  1325  O    -14.291934    4.374011    8.769526    38  1321  1326
1327  1326  H    -13.754751    5.090481    8.262300    39  1325
1328  1327  C      8.462155   -1.891458   -1.337025    40  1328  1329  1330  1331
1329  1328  H      8.492684   -2.623884   -2.127162    41  1327
1330  1329  H      9.203414   -2.121398   -0.566298    41  1327
1331  1330  H      7.463438   -1.785131   -0.805958    41  1327
1332  1331  O      8.860713   -0.692621   -1.940847    38  1327  1332
1333  1332  H      9.743768   -0.820731   -2.388303    39  1331
1334  1333  C      8.498652    1.240274    9.937139    40  1334  1335  1336  1337
1335  1334  H      7.616138    1.008586    9.326224    41  1333
1336  1335  H      8.374520    1.085731   11.031688    41  1333
1337  1336  H      8.758333    2.314680    9.708573    41  1333
1338  1337  O      9.570568    0.397317    9.652393    38  1333  1338
1339  1338  H      9.884777    0.567571    8.740913    39  1337
1340  1339  C     -6.835525  -10.722716  -11.351449    40  1340  1341  1342  1343
1341  1340  H     -7.612684  -10.858064  -12.176904    41  1339
1342  1341  H     -7.243246  -11.242385  -10.448771    41  1339
1343  1342  H     -6.800178   -9.622673  -11.158272    41  1339
1344  1343  O     -5.619544  -11.293650  -11.736418    38  1339  1344
1345  1344  H     -5.330898  -11.866406  -11.078615    39  1343
1346  1345  C     -0.605558   -4.388227   -4.331578    40  1346  1347  1348  1349
1347  1346  H     -1.278155   -4.024200   -5.191931    41  1345
1348  1347  H      0.442170   -4.255897   -4.711518    41  1345
1349  1348  H     -0.677825   -5.446598   -4.141064    41  1345
1350  1349  O     -0.731608   -3.664227   -3.121504    38  1345  1350
1351  1350  H     -1.437421   -4.136149   -2.604283    39  1349
1352  1351  C     -5.698856    0.005268    8.437762    40  1352  1353  1354  1355
1353  1352  H     -4.729368    0.071832    7.854867    41  1351
1354  1353  H     -6.537830    0.588416    7.820459    41  1351
1355  1354  H     -5.447801    0.609151    9.280407    41  1351
1356  1355  O     -6.082411   -1.255047    8.923999    38  1351  1356
1357  1356  H     -5.275725   -1.788229    9.289186    39  1355
1358  1357  C    -10.432016    8.227986   -6.106659    40  1358  1359  1360  1361
1359  1358  H     -9.405198    8.237129   -5.687552    41  1357
1360  1359  H    -11.107721    8.804048   -5.448406    41  1357
1361  1360  H    -10.800831    7.182977   -6.178618    41  1357
1362  1361  O    -10.543642    8.807959   -7.383477    38  1357  1362
1363  1362  H    -10.081542    8.191017   -7.995582    39  1361
1364  1363  C     -0.364438   -1.025988    6.086306    40  1364  1365  1366  1367
1365  1364  H      0.665763   -0.828582    6.456177    41  1363
1366  1365  H     -0.517214   -1.188293    5.002175    41  1363
1367  1366  H     -0.946644   -0.109407    6.296914    41  1363
1368  1367  O     -0.943280   -2.115860    6.849647    38  1363  1368
1369  1368  H     -0.806933   -1.843071    7.774156    39  1367
1370  1369  C    -14.590694   10.177354   13.027300    40  1370  1371  1372  1373
1371  1370  H    -14.187453   10.954751   12.296746    41  1369
1372  1371  H    -13.896788    9.324214   13.006557    41  1369
1373  1372  H    -15.547233    9.855214   12.594028    41  1369
1374  1373  O    -14.840306   10.660110   14.323514    38  1369  1374
1375  1374  H    -13.943235   10.769116   14.748761    39  1373
1376  1375  C      6.470341    0.725667    3.821250    40  1376  1377  1378  1379
1377  1376  H      5.911545    0.629188    2.892920    41  1375
1378  1377  H      5.810663    0.879819    4.670835    41  1375
1379  1378  H      7.005835    1.632673    3.685591    41  1375
1380  1379  O      7.348206   -0.428863    4.054684    38  1375  1380
1381  1380  H      8.115218   -0.284704    3.509212    39  1379
1382  1381  C      8.222914   -6.278865    7.256595    40  1382  1383  1384  1385
1383  1382  H      9.093077   -6.774194    7.762239    41  1381
1384  1383  H      8.578530   -5.444571    6.626872    41  1381
1385  1384  H      7.619039   -5.898316    8.113798    41  1381
1386  1385  O      7.454398   -7.259206    6.519226    38  1381  1386
1387  1386  H      7.729041   -8.102254    6.981535    39  1385
1388  1387  C     -6.779023    3.673876    8.420094    40  1388  1389  1390  1391
1389  1388  H     -6.537713    4.741624    8.653002    41  1387
1390  1389  H     -6.749672    3.136215    9.386336    41  1387
1391  1390  H     -5.884395    3.377291    7.775943    41  1387
1392  1391  O     -8.005063    3.493485    7.711709    38  1387  1392
1393  1392  H     -8.594554    3.441436    8.455092    39  1391
1394  1393  C     -8.723214   -0.499412   -2.697828    40  1394  1395  1396  1397
1395  1394  H     -7.818191    0.084884   -2.922113    41  1393
1396  1395  H     -9.513364   -0.389263   -3.426892    41  1393
1397  1396  H     -9.153684    0.004754   -1.798571    41  1393
1398  1397  O     -8.442715   -1.856734   -2.458347    38  1393  1398
1399  1398  H     -9.178605   -2.165591   -1.837153    39  1397
1400  1399  C     -8.508259   10.083524    1.337272    40  1400  1401  1402  1403
1401  1400  H     -7.424457   10.169804    0.949545    41  1399
1402  1401  H     -9.088053   10.862330    0.734102    41  1399
1403  1402  H     -8.586388   10.377724    2.368551    41  1399
1404  1403  O     -9.073738    8.779038    1.109636    38  1399  1404
1405  1404  H     -9.707799    8.664970    1.815640    39  1403
1406  1405  C      9.776830   12.218532   -4.316993    40  1406  1407  1408  1409
1407  1406  H      9.978594   13.226946   -3.897358    41  1405
1408  1407  H      8.864615   12.111079   -4.924791    41  1405
1409  1408  H      9.809210   11.508174   -3.459835    41  1405
1410  1409  O     10.878576   11.881085   -5.223892    38  1405  1410
1411  1410  H     10.926262   12.646665   -5.850452    39  1409
1412  1411  C     11.004746   -9.769919  -10.795054    40  1412  1413  1414  1415
1413  1412  H     11.849451   -9.117900  -11.173067    41  1411
1414  1413  H     11.156675  -10.145320   -9.712231    41  1411
1415  1414  H     11.073198  -10.648064  -11.439653    41  1411
1416  1415  O      9.730034   -9.103235  -10.861492    38  1411  1416
1417  1416  H      9.768695   -8.693957  -11.753093    39  1415
1418  1417  C     14.966811  -13.417533    0.221022    40  1418  1419  1420  1421
1419  1418  H     14.182563  -14.178808    0.401328    41  1417
1420  1419  H     15.951078  -13.991546    0.276766    41  1417
1421  1420  H     14.844473  -12.586228    1.051364    41  1417
1422  1421  O     14.789563  -12.844228   -1.081654    38  1417  1422
1423  1422  H     14.824342  -13.541076   -1.745644    39  1421
1424  1423  C      0.766929   -1.481029   -6.799104    40  1424  1425  1426  1427
1425  1424  H      1.173916   -2.566459   -6.844139    41  1423
1426  1425  H      1.305949   -0.736885   -7.493470    41  1423
1427  1426  H      0.847147   -1.082463   -5.770826    41  1423
1428  1427  O     -0.572142   -1.588953   -7.272186    38  1423  1428
1429  1428  H     -0.531891   -2.298352   -7.968698    39  1427
1430  1429  C      2.011281   -7.881848  -11.743593    40  1430  1431  1432  1433
1431  1430  H      2.737455   -8.644352  -11.387241    41  1429
1432  1431  H      1.538389   -8.362486  -12.579403    41  1429
1433  1432  H      2.478504   -6.931901  -11.993051    41  1429
1434  1433  O      0.963348   -7.596639  -10.785897    38  1429  1434
1435  1434  H      1.269377   -6.904851  -10.178965    39  1433
1436  1435  C      8.817332   -9.846920   11.853589    40  1436  1437  1438  1439
1437  1436  H      9.382602  -10.715676   12.339115    41  1435
1438  1437  H      8.794253   -9.054636   12.636304    41  1435
1439  1438  H      7.768386  -10.126035   11.613591    41  1435
1440  1439  O      9.335276   -9.472861   10.624567    38  1435  1440
1441  1440  H     10.394264   -9.434314   10.604743    39  1439
1442  1441  C    -10.338911    5.244330  -11.183250    40  1442  1443  1444  1445
1443  1442  H    -10.337651    5.789654  -12.154006    41  1441
1444  1443  H     -9.814148    4.317585  -11.399529    41  1441
1445  1444  H    -11.466333    5.146020  -10.928726    41  1441
1446  1445  O     -9.697335    5.920073  -10.129372    38  1441  1446
1447  1446  H     -9.019177    6.463270  -10.615931    39  1445
1448  1447  C      3.786689    5.891454    7.843707    40  1448  1449  1450  1451
1449  1448  H      3.302545    5.360185    8.710208    41  1447
1450  1449  H      3.962692    5.239606    6.982424    41  1447
1451  1450  H      4.727758    6.284932    8.265014    41  1447
1452  1451  O      2.925674    7.002142    7.676999    38  1447  1452
1453  1452  H      3.425314    7.734901    7.230566    39  1451
1454  1453  C    -13.065123   -5.561467   14.684244    40  1454  1455  1456  1457
1455  1454  H    -13.367203   -5.554641   15.735100    41  1453
1456  1455  H    -12.637505   -6.581022   14.525940    41  1453
1457  1456  H    -12.356914   -4.745580   14.535132    41  1453
1458  1457  O    -14.204769   -5.375975   13.849077    38  1453  1458
1459  1458  H    -14.812084   -4.768382   14.282220    39  1457
1460  1459  C     -7.821889   -1.269360    1.689611    40  1460  1461  1462  1463
1461  1460  H     -7.293243   -1.801856    0.864015    41  1459
1462  1461  H     -8.887269   -1.347307    1.468599    41  1459
1463  1462  H     -7.526370   -0.233036    1.860038    41  1459
1464  1463  O     -7.503421   -1.882311    2.915034    38  1459  1464
1465  1464  H     -6.532805   -1.776289    3.050922    39  1463
1466  1465  C    -10.524646    5.136983   10.172733    40  1466  1467  1468  1469
1467  1466  H    -11.190226    5.100600    9.302949    41  1465
1468  1467  H    -11.016855    5.655335   11.019857    41  1465
1469  1468  H     -9.628909    5.709765    9.838566    41  1465
1470  1469  O    -10.077532    3.848142   10.543481    38  1465  1470
1471  1470  H    -10.828927    3.233870   10.451343    39  1469
1472  1471  C      2.336886    3.338615    6.178639    40  1472  1473  1474  1475
1473  1472  H      1.956073    4.373630    6.037496    41  1471
1474  1473  H      3.105587    3.289124    7.044742    41  1471
1475  1474  H      2.814733    2.987980    5.217988    41  1471
1476  1475  O      1.267722    2.526924    6.525462    38  1471  1476
1477  1476  H      0.520094    2.681811    5.885821    39  1475
1478  1477  C     10.018540   -7.229254   -8.114172    40  1478  1479  1480  1481
1479  1478  H      8.824485   -7.269804   -8.021918    41  1477
1480  1479  H     10.431042   -8.166641   -7.664808    41  1477
1481  1480  H     10.348210   -6.413067   -7.430113    41  1477
1482  1481  O     10.367668   -6.904799   -9.432037    38  1477  1482
1483  1482  H      9.934767   -7.584777   -9.990972    39  1481
1484  1483  C     -4.094116   -4.733875  -12.718911    40  1484  1485  1486  1487
1485  1484  H     -4.966796   -4.094127  -12.438916    41  1483
1486  1485  H     -4.233032   -5.837846  -12.592320    41  1483
1487  1486  H     -3.282733   -4.482047  -11.957412    41  1483
1488  1487  O     -3.535954   -4.449410  -14.002114    38  1483  1488
1489  1488  H     -4.284664   -4.671303  -14.596239    39  1487
1490  1489  C     11.953707    4.599814   12.339808    40  1490  1491  1492  1493
1491  1490  H     11.151136    4.724142   11.602000    41  1489
1492  1491  H     12.226710    3.483364   12.400079    41  1489
1493  1492  H     11.587122    5.048887   13.279739    41  1489
1494  1493  O     13.067459    5.296678   11.786488    38  1489  1494
1495  1494  H     13.786454    5.152016   12.451662    39  1493
1496  1495  C     10.370367   -1.746599    3.086226    40  1496  1497  1498  1499
1497  1496  H     10.105936   -2.733693    3.437803    41  1495
1498  1497  H     11.497432   -1.650694    2.830718    41  1495
1499  1498  H     10.094988   -0.937954    3.743744    41  1495
1500  1499  O      9.661895   -1.393156    1.822038    38  1495  1500
1501  1500  H     10.202432   -0.716301    1.398221    39  1499
1502  1501  C     12.339801   10.886031   10.960821    40  1502  1503  1504  1505
1503  1502  H     11.857680   11.827606   10.622979    41  1501
1504  1503  H     11.562585   10.204780   11.347944    41  1501
1505  1504  H     13.195986   10.925970   11.772844    41  1501
1506  1505  O     12.869054   10.207840    9.775385    38  1501  1506
1507  1506  H     13.063744    9.269520   10.055806    39  1505
1508  1507  C     -8.835620   -1.287100   -9.297677    40  1508  1509  1510  1511
1509  1508  H     -7.807785   -0.978343   -9.476174    41  1507
1510  1509  H     -9.483650   -1.040072  -10.185924    41  1507
1511  1510  H     -9.283731   -0.662831   -8.428829    41  1507
1512  1511  O     -9.068813   -2.652921   -9.026747    38  1507  1512
1513  1512  H     -9.021724   -3.132859   -9.875877    39  1511
1514  1513  C      0.130198   -4.471690    5.200415    40  1514  1515  1516  1517
1515  1514  H      0.458659   -5.485797    4.850272    41  1513
1516  1515  H     -0.656708   -4.182633    4.510373    41  1513
1517  1516  H      0.983115   -3.765120    5.183821    41  1513
1518  1517  O     -0.371518   -4.664924    6.511205    38  1513  1518
1519  1518  H     -0.841820   -3.782975    6.753726    39  1517
1520  1519  C      6.603520   -4.556283   -5.571442    40  1520  1521  1522  1523
1521  1520  H      6.219293   -5.593863   -5.658892    41  1519
1522  1521  H      5.733018   -3.957398   -5.924436    41  1519
1523  1522  H      7.452815   -4.274151   -6.250194    41  1519
1524  1523  O      6.927822   -4.180045   -4.294753    38  1519  1524
1525  1524  H      7.346807   -3.264959   -4.300786    39  1523
1526  1525  C     12.170440  -12.201372    4.810681    40  1526  1527  1528  1529
1527  1526  H     12.837249  -12.865670    5.383573    41  1525
1528  1527  H     11.145227  -12.340526    5.092796    41  1525
1529  1528  H     12.262611  -12.384092    3.732153    41  1525
1530  1529  O     12.546394  -10.889899    5.047679    38  1525  1530
1531  1530  H     11.895350  -10.344882    4.586088    39  1529
1532  1531  C     -7.308062    6.158985    0.371130    40  1532  1533  1534  1535
1533  1532  H     -7.801347    6.629526   -0.511749    41  1531
1534  1533  H     -6.428124    6.734728    0.611110    41  1531
1535  1534  H     -6.924261    5.089826    0.215163    41  1531
1536  1535  O     -8.166463    6.159319    1.514735    38  1531  1536
1537  1536  H     -8.526919    7.062333    1.522735    39  1535
1538  1537  C     -0.400068   14.597488   10.349082    40  1538  1539  1540  1541
1539  1538  H     -0.927781   13.684703   10.862608    41  1537
1540  1539  H     -1.241459   15.375259   10.140034    41  1537
1541  1540  H     -0.020853   14.270027    9.356939    41  1537
1542  1541  O      0.527970   15.212846   11.227125    38  1537  1542
1543  1542  H      0.556500   16.148761   11.080405    39  1541
1544  1543  C      6.419862    1.148702   -4.490076    40  1544  1545  1546  1547
1545  1544  H      6.681861    1.936655   -3.773632    41  1543
1546  1545  H      6.595564    1.599741   -5.483478    41  1543
1547  1546  H      5.341894    0.893917   -4.400436    41  1543
1548  1547  O      7.083543   -0.061961   -4.365605    38  1543  1548
1549  1548  H      7.530587   -0.112711   -3.497364    39  1547
1550  1549  C     11.593510   -5.288295    4.594728    40  1550  1551  1552  1553
1551  1550  H     10.900722   -6.164313    4.759234    41  1549
1552  1551  H     12.187683   -5.147094    5.551052    41  1549
1553  1552  H     11.030990   -4.315792    4.346968    41  1549
1554  1553  O     12.471054   -5.721583    3.560095    38  1549  1554
1555  1554  H     11.993697   -5.732069    2.714527    39  1553
1556  1555  C      7.165110    7.727425    1.728647    40  1556  1557  1558  1559
1557  1556  H      6.426529    8.536732    2.042217    41  1555
1558  1557  H      7.496965    7.967024    0.703480    41  1555
1559  1558  H      6.682873    6.644791    1.755054    41  1555
1560  1559  O      8.267199    7.879650    2.614282    38  1555  1560
1561  1560  H      9.018388    7.464464    2.219643    39  1559
1562  1561  C    -10.803432    2.538089   -0.910750    40  1562  1563  1564  1565
1563  1562  H    -11.284516    3.561210   -0.609117    41  1561
1564  1563  H    -11.725037    1.931737   -1.148374    41  1561
1565  1564  H    -10.343373    2.059791   -0.079734    41  1561
1566  1565  O    -10.000172    2.773541   -2.076183    38  1561  1566
1567  1566  H    -10.561134    3.117235   -2.817868    39  1565
1568  1567  C     -8.484446   12.858683    7.717999    40  1568  1569  1570  1571
1569  1568  H     -8.872767   13.866893    7.585464    41  1567
1570  1569  H     -7.453694   12.867639    8.135518    41  1567
1571  1570  H     -8.464549   12.348268    6.706643    41  1567
1572  1571  O     -9.337719   12.224193    8.643342    38  1567  1572
1573  1572  H     -8.813937   11.796932    9.280727    39  1571
1574  1573  C     -7.848316  -10.653076    6.061754    40  1574  1575  1576  1577
1575  1574  H     -8.909476  -10.910026    6.253977    41  1573
1576  1575  H     -7.406565   -9.990650    6.935927    41  1573
1577  1576  H     -7.768905  -10.122516    5.086309    41  1573
1578  1577  O     -7.120914  -11.895645    6.017284    38  1573  1578
1579  1578  H     -6.221755  -11.638675    5.694538    39  1577
1580  1579  C    -12.624033    6.758812   15.626062    40  1580  1581  1582  1583
1581  1580  H    -13.367521    7.411300   16.011188    41  1579
1582  1581  H    -12.666351    5.808951   16.171499    41  1579
1583  1582  H    -11.650845    7.201449   15.949982    41  1579
1584  1583  O    -12.613425    6.501256   14.258327    38  1579  1584
1585  1584  H    -12.441800    7.338510   13.767171    39  1583
1586  1585  C      7.254442   -7.582644  -13.197981    40  1586  1587  1588  1589
1587  1586  H      8.065145   -7.079982  -13.709775    41  1585
1588  1587  H      7.714263   -8.346176  -12.519486    41  1585
1589  1588  H      6.662172   -8.134090  -13.978630    41  1585
1590  1589  O      6.444816   -6.723095  -12.408048    38  1585  1590
1591  1590  H      6.071551   -6.022042  -12.984831    39  1589
1592  1591  C      8.105889    4.759665   -0.734945    40  1592  1593  1594  1595
1593  1592  H      8.185933    5.678323   -1.359444    41  1591
1594  1593  H      7.122817    4.646969   -0.226598    41  1591
1595  1594  H      8.973183    4.891303   -0.003392    41  1591
1596  1595  O      8.317350    3.592678   -1.571957    38  1591  1596
1597  1596  H      8.042787    2.772038   -1.105052    39  1595
1598  1597  C     -3.794467  -11.986916   10.315038    40  1598  1599  1600  1601
1599  1598  H     -4.760273  -12.432692   10.696512    41  1597
1600  1599  H     -3.719034  -10.957171   10.736236    41  1597
1601  1600  H     -3.752005  -12.008011    9.245302    41  1597
1602  1601  O     -2.775815  -12.754183   10.911391    38  1597  1602
1603  1602  H     -2.706305  -12.737578   11.862173    39  1601
1604  1603  C     14.083881   -2.167186    3.898812    40  1604  1605  1606  1607
1605  1604  H     13.515336   -3.157528    3.786172    41  1603
1606  1605  H     14.571967   -1.820663    2.973851    41  1603
1607  1606  H     14.963039   -2.461867    4.532303    41  1603
1608  1607  O     13.244904   -1.193024    4.495005    38  1603  1608
1609  1608  H     12.778608   -1.560744    5.209001    39  1607
1610  1609  C     -2.138104   11.207042  -12.124069    40  1610  1611  1612  1613
1611  1610  H     -3.203773   11.061543  -12.517536    41  1609
1612  1611  H     -2.089471   12.261591  -11.652680    41  1609
1613  1612  H     -1.452998   11.219561  -13.012163    41  1609
1614  1613  O     -1.672397   10.240781  -11.236522    38  1609  1614
1615  1614  H     -0.879893   10.637392  -10.822480    39  1613
1616  1615  C     -8.082832    1.972223    4.533516    40  1616  1617  1618  1619
1617  1616  H     -8.309929    1.291678    3.715456    41  1615
1618  1617  H     -8.136488    3.079224    4.172173    41  1615
1619  1618  H     -7.042429    1.792743    4.928454    41  1615
1620  1619  O     -8.980397    1.741136    5.596918    38  1615  1620
1621  1620  H     -8.620893    2.318734    6.338110    39  1619
1622  1621  C     -0.051302    8.570860   14.747609    40  1622  1623  1624  1625
1623  1622  H     -0.875162    8.685591   14.053425    41  1621
1624  1623  H     -0.343181    7.730560   15.563847    41  1621
1625  1624  H      0.150156    9.578405   15.188263    41  1621
1626  1625  O      1.122665    8.102333   14.059983    38  1621  1626
1627  1626  H      0.991831    7.652035   13.180525    39  1625
1628  1627  C     11.772120    7.059636    1.715485    40  1628  1629  1630  1631
1629  1628  H     11.785646    8.137567    2.136869    41  1627
1630  1629  H     11.983895    6.294163    2.501309    41  1627
1631  1630  H     12.539749    6.998288    0.920375    41  1627
1632  1631  O     10.492272    6.807258    1.093793    38  1627  1632
1633  1632  H     10.574055    7.237700    0.257936    39  1631
1634  1633  C     10.213908    1.187636   -4.344848    40  1634  1635  1636  1637
1635  1634  H     10.138739    1.832261   -3.438411    41  1633
1636  1635  H     10.140893    1.917805   -5.186264    41  1633
1637  1636  H      9.236401    0.524496   -4.345651    41  1633
1638  1637  O     11.479225    0.554995   -4.314994    38  1633  1638
1639  1638  H     11.628157    0.237979   -5.234728    39  1637
1640  1639  C     11.138849  -13.077933   -2.081545    40  1640  1641  1642  1643
1641  1640  H     12.188499  -12.682022   -2.142050    41  1639
1642  1641  H     10.509381  -12.196480   -2.176179    41  1639
1643  1642  H     11.022108  -13.513404   -1.051401    41  1639
1644  1643  O     10.763139  -14.076439   -2.937425    38  1639  1644
1645  1644  H      9.827587  -14.269217   -2.868575    39  1643
1646  1645  C      4.595711   -2.275606    0.725838    40  1646  1647  1648  1649
1647  1646  H      4.533823   -1.514175   -0.067414    41  1645
1648  1647  H      3.693270   -2.898074    0.427730    41  1645
1649  1648  H      4.392092   -1.806098    1.764799    41  1645
1650  1649  O      5.803967   -2.990091    0.651323    38  1645  1650
1651  1650  H      5.871247   -3.461441   -0.208537    39  1649
1652  1651  C      7.483436    4.125568    6.108230    40  1652  1653  1654  1655
1653  1652  H      7.757752    3.775759    5.087353    41  1651
1654  1653  H      6.657337    3.508972    6.502029    41  1651
1655  1654  H      7.077739    5.163304    6.039319    41  1651
1656  1655  O      8.516108    3.908855    7.051957    38  1651  1656
1657  1656  H      8.661043    2.951938    6.993812    39  1655
1658  1657  C    -10.371846   12.493867   -9.925083    40  1658  1659  1660  1661
1659  1658  H    -10.031166   13.481256   -9.440504    41  1657
1660  1659  H    -10.083367   11.678868   -9.141728    41  1657
1661  1660  H     -9.711190   12.336871  -10.846416    41  1657
1662  1661  O    -11.753786   12.524985  -10.123806    38  1657  1662
1663  1662  H    -12.243926   11.872408   -9.534049    39  1661
1664  1663  C      1.373739   -4.954678   -0.343525    40  1664  1665  1666  1667
1665  1664  H      0.989110   -5.710756   -1.060049    41  1663
1666  1665  H      2.459880   -4.811314   -0.483189    41  1663
1667  1666  H      1.273652   -5.414169    0.678811    41  1663
1668  1667  O      0.531685   -3.794377   -0.451912    38  1663  1668
1669  1668  H      0.417676   -3.580979   -1.366756    39  1667
1670  1669  C     14.967466    7.546472   10.719318    40  1670  1671  1672  1673
1671  1670  H     15.569524    7.875681   11.670773    41  1669
1672  1671  H     15.138459    6.448569   10.591434    41  1669
1673  1672  H     15.360340    8.099243    9.827434    41  1669
1674  1673  O     13.543751    7.741565   10.828196    38  1669  1674
1675  1674  H     13.217064    6.925695   11.223422    39  1673
1676  1675  C     -1.012368   -1.233712   10.576153    40  1676  1677  1678  1679
1677  1676  H     -0.063227   -0.982402   11.081654    41  1675
1678  1677  H     -1.539329   -0.363486   10.153313    41  1675
1679  1678  H     -1.711207   -1.645903   11.412964    41  1675
1680  1679  O     -0.745176   -2.201317    9.580500    38  1675  1680
1681  1680  H     -0.597425   -3.032351   10.060352    39  1679
1682  1681  C     14.662315   -9.316074   -2.099956    40  1682  1683  1684  1685
1683  1682  H     13.791161   -9.973818   -2.119628    41  1681
1684  1683  H     15.507222   -9.954580   -1.954798    41  1681
1685  1684  H     14.591036   -8.625748   -1.253562    41  1681
1686  1685  O     14.779496   -8.529553   -3.269849    38  1681  1686
1687  1686  H     14.945938   -9.239849   -3.901590    39  1685
1688  1687  C      2.518197    2.759877  -12.630242    40  1688  1689  1690  1691
1689  1688  H      3.567547    2.495012  -12.875314    41  1687
1690  1689  H      2.026951    3.254194  -13.513792    41  1687
1691  1690  H      2.609337    3.386595  -11.672291    41  1687
1692  1691  O      1.741290    1.628818  -12.352629    38  1687  1692
1693  1692  H      0.941259    1.926976  -11.894940    39  1691
1694  1693  C     12.962142    9.807759   -5.446390    40  1694  1695  1696  1697
1695  1694  H     12.282705   10.446580   -6.051849    41  1693
1696  1695  H     13.160840   10.288980   -4.474492    41  1693
1697  1696  H     13.967424    9.566101   -5.871340    41  1693
1698  1697  O     12.301568    8.568516   -5.269261    38  1693  1698
1699  1698  H     11.375735    8.886745   -5.100921    39  1697
1700  1699  C     -4.856122   -7.922345    8.222501    40  1700  1701  1702  1703
1701  1700  H     -5.080721   -7.204841    7.380399    41  1699
1702  1701  H     -4.226964   -8.835262    7.873430    41  1699
1703  1702  H     -5.789510   -8.297180    8.697023    41  1699
1704  1703  O     -4.017469   -7.192674    9.114924    38  1699  1704
1705  1704  H     -3.102831   -7.078799    8.713786    39  1703
1706  1705  C      4.506316   -7.800363   -9.060417    40  1706  1707  1708  1709
1707  1706  H      4.981990   -7.782349  -10.063530    41  1705
1708  1707  H      4.307003   -8.899780   -9.005988    41  1705
1709  1708  H      3.573100   -7.252292   -9.044864    41  1705
1710  1709  O      5.407556   -7.353800   -8.057423    38  1705  1710
1711  1710  H      6.274471   -7.136876   -8.517312    39  1709
1712  1711  C     10.843516   -6.572062  -12.811238    40  1712  1713  1714  1715
1713  1712  H     11.433795   -6.792840  -11.863084    41  1711
1714  1713  H     11.417675   -6.017454  -13.602303    41  1711
1715  1714  H      9.984374   -5.894827  -12.609317    41  1711
1716  1715  O     10.473494   -7.872366  -13.301633    38  1711  1716
1717  1716  H     10.821377   -7.970494  -14.218893    39  1715
1718  1717  C     -9.436607   -7.049785   -6.686411    40  1718  1719  1720  1721
1719  1718  H     -9.531237   -8.168039   -6.389129    41  1717
1720  1719  H    -10.161191   -6.481295   -6.061901    41  1717
1721  1720  H     -9.795760   -6.857944   -7.761085    41  1717
1722  1721  O     -8.077318   -6.610798   -6.534195    38  1717  1722
1723  1722  H     -8.122769   -5.704387   -6.184166    39  1721
1724  1723  C     -0.921746    8.418910   -3.260317    40  1724  1725  1726  1727
1725  1724  H     -0.568936    7.831600   -2.331537    41  1723
1726  1725  H     -2.048173    8.459895   -3.402028    41  1723
1727  1726  H     -0.466271    8.042760   -4.170961    41  1723
1728  1727  O     -0.432606    9.719436   -3.147939    38  1723  1728
1729  1728  H     -0.126098    9.841507   -2.225315    39  1727
1730  1729  C      3.171563   14.470154  -12.048655    40  1730  1731  1732  1733
1731  1730  H      3.905019   14.060097  -11.299867    41  1729
1732  1731  H      3.688219   14.694605  -12.972304    41  1729
1733  1732  H      2.762761   15.368924  -11.604314    41  1729
1734  1733  O      2.177277   13.525462  -12.262254    38  1729  1734
1735  1734  H      1.731741   13.807730  -13.033609    39  1733
1736  1735  C      5.308863   12.647217    2.471434    40  1736  1737  1738  1739
1737  1736  H      5.887846   12.301334    1.680839    41  1735
1738  1737  H      5.583915   13.712937    2.777424    41  1735
1739  1738  H      5.414054   12.011669    3.316943    41  1735
1740  1739  O      3.957528   12.485545    2.020611    38  1735  1740
1741  1740  H      3.372079   12.542556    2.800241    39  1739
1742  1741  C      1.032812  -13.219311    3.991447    40  1742  1743  1744  1745
1743  1742  H      0.337788  -12.444749    3.748447    41  1741
1744  1743  H      1.197264  -13.859255    3.049350    41  1741
1745  1744  H      0.594938  -13.876089    4.784941    41  1741
1746  1745  O      2.123774  -12.627116    4.576566    38  1741  1746
1747  1746  H      1.795595  -12.057672    5.284506    39  1745
1748  1747  C    -12.047964   -1.951589   12.631479    40  1748  1749  1750  1751
1749  1748  H    -11.839712   -1.290074   11.739247    41  1747
1750  1749  H    -11.180760   -2.654721   12.737410    41  1747
1751  1750  H    -12.928834   -2.561928   12.505913    41  1747
1752  1751  O    -12.125230   -1.089675   13.763511    38  1747  1752
1753  1752  H    -11.516376   -0.364221   13.496883    39  1751
1754  1753  C     -7.647675   12.710799   11.497575    40  1754  1755  1756  1757
1755  1754  H     -6.723198   13.219571   11.803156    41  1753
1756  1755  H     -8.425814   13.526869   11.150595    41  1753
1757  1756  H     -8.043929   12.176310   12.390775    41  1753
1758  1757  O     -7.327367   11.774068   10.416241    38  1753  1758
1759  1758  H     -6.617972   12.235660    9.936933    39  1757
1760  1759  C    -12.234500  -12.653935   14.268629    40  1760  1761  1762  1763
1761  1760  H    -12.196302  -13.258175   15.229953    41  1759
1762  1761  H    -13.159055  -12.008031   14.390781    41  1759
1763  1762  H    -12.397281  -13.375790   13.448791    41  1759
1764  1763  O    -11.076804  -11.816726   14.258689    38  1759  1764
1765  1764  H    -11.137308  -11.246920   13.457105    39  1763
1766  1765  C      1.225785  -12.114537   -0.559256    40  1766  1767  1768  1769
1767  1766  H      1.154020  -12.996759   -1.230000    41  1765
1768  1767  H      0.765966  -11.240128   -1.087961    41  1765
1769  1768  H      2.256476  -11.918254   -0.231792    41  1765
1770  1769  O      0.573975  -12.242277    0.688310    38  1765  1770
1771  1770  H      0.908321  -11.544569    1.287991    39  1769
1772  1771  C    -14.933935    4.538943    0.508871    40  1772  1773  1774  1775
1773  1772  H    -13.943108    4.358027    0.121143    41  1771
1774  1773  H    -15.350229    3.571023    0.422428    41  1771
1775  1774  H    -15.541839    5.259705   -0.205269    41  1771
1776  1775  O    -14.908420    5.061837    1.828698    38  1771  1776
1777  1776  H    -13.984757    5.052711    2.029900    39  1775
1778  1777  C    -12.989560   -5.116747   10.630365    40  1778  1779  1780  1781
1779  1778  H    -12.140036   -5.736389   10.228450    41  1777
1780  1779  H    -13.248084   -4.297782    9.919484    41  1777
1781  1780  H    -12.639677   -4.574118   11.578561    41  1777
1782  1781  O    -14.147176   -5.884275   10.907459    38  1777  1782
1783  1782  H    -14.194019   -6.178935   11.851114    39  1781
1784  1783  C      5.122629   -9.647053   -1.122141    40  1784  1785  1786  1787
1785  1784  H      5.186652   -8.896004   -1.946831    41  1783
1786  1785  H      4.880501   -9.172905   -0.156003    41  1783
1787  1786  H      6.087616  -10.111490   -1.025009    41  1783
1788  1787  O      4.173357  -10.657291   -1.398963    38  1783  1788
1789  1788  H      4.476933  -11.373829   -0.845401    39  1787
1790  1789  C    -10.507295   -9.333195    0.358955    40  1790  1791  1792  1793
1791  1790  H    -10.843934   -8.536156   -0.277349    41  1789
1792  1791  H     -9.492990   -9.168817    0.882596    41  1789
1793  1792  H    -10.359679  -10.215241   -0.292041    41  1789
1794  1793  O    -11.424417   -9.574818    1.411498    38  1789  1794
1795  1794  H    -11.757762   -8.730763    1.802342    39  1793
1796  1795  C      4.693447   -7.222824    7.916232    40  1796  1797  1798  1799
1797  1796  H      3.684707   -7.586471    8.213905    41  1795
1798  1797  H      5.396389   -8.063223    8.094871    41  1795
1799  1798  H      4.886739   -6.380166    8.628258    41  1795
1800  1799  O      4.837164   -6.641841    6.628310    38  1795  1800
1801  1800  H      5.796827   -6.722637    6.513495    39  1799
1802  1801  C     -1.075643   13.947299   -2.545037    40  1802  1803  1804  1805
1803  1802  H     -0.251537   14.246784   -1.825745    41  1801
1804  1803  H     -1.291171   14.872173   -3.063007    41  1801
1805  1804  H     -1.978789   13.715192   -1.935433    41  1801
1806  1805  O     -0.704498   12.952477   -3.547751    38  1801  1806
1807  1806  H     -0.335266   12.337828   -3.011383    39  1805
1808  1807  C    -12.647577   11.775901    0.762519    40  1808  1809  1810  1811
1809  1808  H    -13.421339   12.142834    0.049547    41  1807
1810  1809  H    -11.665103   12.029825    0.343204    41  1807
1811  1810  H    -12.613931   10.651594    0.903123    41  1807
1812  1811  O    -12.756287   12.281758    2.132856    38  1807  1812
1813  1812  H    -11.957367   12.747305    2.295268    39  1811
1814  1813  C     12.698951   -6.756845    9.293816    40  1814  1815  1816  1817
1815  1814  H     12.445016   -7.802380    9.353372    41  1813
1816  1815  H     13.308421   -6.548386    8.371365    41  1813
1817  1816  H     13.182050   -6.488862   10.273265    41  1813
1818  1817  O     11.395364   -6.093602    9.158790    38  1813  1818
1819  1818  H     11.589958   -5.231445    9.549462    39  1817
1820  1819  C    -10.179131  -12.373594  -12.138200    40  1820  1821  1822  1823
1821  1820  H     -9.453639  -13.072977  -12.639868    41  1819
1822  1821  H     -9.610698  -12.157322  -11.193736    41  1819
1823  1822  H    -11.078740  -12.903056  -11.871379    41  1819
1824  1823  O    -10.396961  -11.253379  -12.975973    38  1819  1824
1825  1824  H    -10.683384  -11.587038  -13.858547    39  1823
1826  1825  C      7.674293   13.363352  -13.327477    40  1826  1827  1828  1829
1827  1826  H      8.278897   14.006146  -12.614528    41  1825
1828  1827  H      6.819834   13.963495  -13.803758    41  1825
1829  1828  H      7.181893   12.502767  -12.726292    41  1825
1830  1829  O      8.440618   12.711691  -14.329608    38  1825  1830
1831  1830  H      8.971329   13.405027  -14.760032    39  1829
1832  1831  C     -6.506012   13.234877    2.149242    40  1832  1833  1834  1835
1833  1832  H     -6.014328   12.682174    3.013712    41  1831
1834  1833  H     -6.758607   14.248737    2.272944    41  1831
1835  1834  H     -7.422224   12.626875    1.899285    41  1831
1836  1835  O     -5.545667   13.110262    1.082490    38  1831  1836
1837  1836  H     -4.776486   13.690136    1.303637    39  1835
1838  1837  C     -4.124302    2.335370   11.710089    40  1838  1839  1840  1841
1839  1838  H     -3.117355    2.284525   11.150998    41  1837
1840  1839  H     -4.022974    2.409843   12.802388    41  1837
1841  1840  H     -4.508492    1.275593   11.538559    41  1837
1842  1841  O     -4.975202    3.367489   11.312855    38  1837  1842
1843  1842  H     -4.791476    4.111234   11.947283    39  1841
1844  1843  C     12.499548   14.460558  -12.654369    40  1844  1845  1846  1847
1845  1844  H     13.016825   14.733162  -11.730880    41  1843
1846  1845  H     12.037451   13.392675  -12.638609    41  1843
1847  1846  H     13.337231   14.414455  -13.440596    41  1843
1848  1847  O     11.468566   15.395121  -12.974004    38  1843  1848
1849  1848  H     10.784002   14.916575  -13.575716    39  1847
1850  1849  C     -8.656452    5.838280   13.399583    40  1850  1851  1852  1853
1851  1850  H     -8.635212    4.753492   13.092501    41  1849
1852  1851  H     -9.403920    5.947273   14.174770    41  1849
1853  1852  H     -8.811627    6.451507   12.558574    41  1849
1854  1853  O     -7.379971    6.209493   13.967197    38  1849  1854
1855  1854  H     -7.281225    5.467550   14.602009    39  1853
1856  1855  C     -3.747565    5.623891    3.577938    40  1856  1857  1858  1859
1857  1856  H     -2.795301    5.465677    4.093519    41  1855
1858  1857  H     -3.522025    5.791199    2.505551    41  1855
1859  1858  H     -4.107593    6.537861    4.119053    41  1855
1860  1859  O     -4.525603    4.519163    3.872366    38  1855  1860
1861  1860  H     -5.390389    4.920356    4.115887    39  1859
1862  1861  C      3.416188   13.511862    9.468159    40  1862  1863  1864  1865
1863  1862  H      3.813086   12.725041   10.130941    41  1861
1864  1863  H      2.439415   13.795129    9.768998    41  1861
1865  1864  H      3.366015   13.140169    8.427906    41  1861
1866  1865  O      4.220276   14.684046    9.512537    38  1861  1866
1867  1866  H      3.702281   15.473322    9.310887    39  1865
1868  1867  C     13.174200   10.516554    1.003656    40  1868  1869  1870  1871
1869  1868  H     14.233718   10.483925    0.829094    41  1867
1870  1869  H     12.672154    9.787150    0.287050    41  1867
1871  1870  H     12.819538   11.617906    0.880587    41  1867
1872  1871  O     12.891219   10.199623    2.328826    38  1867  1872
1873  1872  H     13.414372   10.771734    2.885712    39  1871
1874  1873  C     -7.156937   10.076520   -2.493961    40  1874  1875  1876  1877
1875  1874  H     -6.703941    9.287449   -3.131489    41  1873
1876  1875  H     -8.048564    9.726159   -1.926893    41  1873
1877  1876  H     -7.523233   10.895933   -3.142178    41  1873
1878  1877  O     -6.131868   10.540710   -1.574484    38  1873  1878
1879  1878  H     -6.245457   11.506737   -1.377505    39  1877
1880  1879  C     14.434840   -1.535775  -10.846768    40  1880  1881  1882  1883
1881  1880  H     14.457327   -2.643312  -10.746047    41  1879
1882  1881  H     14.914883   -1.193957  -11.756102    41  1879
1883  1882  H     14.871179   -1.072002   -9.920628    41  1879
1884  1883  O     13.070306   -1.169841  -10.939598    38  1879  1884
1885  1884  H     13.104265   -0.212109  -11.080734    39  1883
1886  1885  C      1.700855    1.778608   -4.220259    40  1886  1887  1888  1889
1887  1886  H      0.857973    1.188171   -4.692241    41  1885
1888  1887  H      1.541836    1.639032   -3.096544    41  1885
1889  1888  H      1.685727    2.799432   -4.534668    41  1885
1890  1889  O      2.843162    1.096830   -4.674565    38  1885  1890
1891  1890  H      2.661652    0.148495   -4.602786    39  1889
1892  1891  C     13.441430    1.226795   11.099742    40  1892  1893  1894  1895
1893  1892  H     12.735458    1.310173   11.892402    41  1891
1894  1893  H     14.373972    1.760207   11.465445    41  1891
1895  1894  H     13.156925    1.749110   10.174170    41  1891
1896  1895  O     13.637062   -0.162012   10.834960    38  1891  1896
1897  1896  H     12.814868   -0.591427   11.193881    39  1895
1898  1897  C     -3.106196   -7.784408   12.439157    40  1898  1899  1900  1901
1899  1898  H     -3.794467   -7.557643   13.269263    41  1897
1900  1899  H     -2.158684   -7.191716   12.320717    41  1897
1901  1900  H     -3.736000   -7.483919   11.584975    41  1897
1902  1901  O     -2.865222   -9.161197   12.393004    38  1897  1902
1903  1902  H     -3.710677   -9.503892   12.612411    39  1901
1904  1903  C    -10.580486   -4.568030   -2.910467    40  1904  1905  1906  1907
1905  1904  H    -11.396298   -3.911110   -2.472566    41  1903
1906  1905  H     -9.966278   -3.932261   -3.630335    41  1903
1907  1906  H    -11.113775   -5.444550   -3.438867    41  1903
1908  1907  O     -9.781609   -5.137949   -1.912720    38  1903  1908
1909  1908  H    -10.187382   -5.023610   -0.972709    39  1907
1910  1909  C     -8.536795  -12.334911   -5.429067    40  1910  1911  1912  1913
1911  1910  H     -9.583175  -12.587333   -5.718284    41  1909
1912  1911  H     -8.548425  -11.226183   -5.181896    41  1909
1913  1912  H     -7.861049  -12.448036   -6.355036    41  1909
1914  1913  O     -8.132101  -13.168735   -4.358440    38  1909  1914
1915  1914  H     -8.425239  -14.079643   -4.608658    39  1913
1916  1915  C     11.014772   14.825025   11.083518    40  1916  1917  1918  1919
1917  1916  H     10.522445   14.703837   10.061803    41  1915
1918  1917  H     11.030853   15.928330   11.370699    41  1915
1919  1918  H     12.118036   14.591174   10.932235    41  1915
1920  1919  O     10.431611   14.020245   12.016243    38  1915  1920
1921  1920  H      9.593701   13.762134   11.571634    39  1919
1922  1921  C      0.372057   12.723224    3.672788    40  1922  1923  1924  1925
1923  1922  H     -0.010884   13.782986    3.995948    41  1921
1924  1923  H      0.259318   12.797221    2.551593    41  1921
1925  1924  H     -0.276846   11.880207    4.087792    41  1921
1926  1925  O      1.771820   12.629843    3.870112    38  1921  1926
1927  1926  H      1.932404   11.692923    3.951927    39  1925
1928  1927  C      8.567219   11.309540    0.730668    40  1928  1929  1930  1931
1929  1928  H      9.125901   10.293611    0.968363    41  1927
1930  1929  H      9.235225   11.859411   -0.068727    41  1927
1931  1930  H      8.417827   11.970523    1.642022    41  1927
1932  1931  O      7.341644   10.950355    0.120305    38  1927  1932
1933  1932  H      7.558008   10.258341   -0.534201    39  1931
1934  1933  C     14.315599  -14.109867    8.544904    40  1934  1935  1936  1937
1935  1934  H     14.654773  -15.003727    9.078055    41  1933
1936  1935  H     14.456229  -14.231812    7.424218    41  1933
1937  1936  H     15.053779  -13.305279    8.793920    41  1933
1938  1937  O     13.009872  -13.797019    8.923125    38  1933  1938
1939  1938  H     12.519144  -14.552900    8.536288    39  1937
1940  1939  C     -6.311051   -3.578422   13.802551    40  1940  1941  1942  1943
1941  1940  H     -7.272062   -2.983071   13.872757    41  1939
1942  1941  H     -5.368277   -3.006969   13.714931    41  1939
1943  1942  H     -6.413405   -4.112365   12.821789    41  1939
1944  1943  O     -6.237452   -4.496445   14.905406    38  1939  1944
1945  1944  H     -6.961572   -5.128715   14.775378    39  1943
1946  1945  C    -14.636899   -0.002621  -14.544271    40  1946  1947  1948  1949
1947  1946  H    -15.581106   -0.263960  -15.222452    41  1945
1948  1947  H    -14.898051    0.698546  -13.708444    41  1945
1949  1948  H    -13.909235    0.498126  -15.136788    41  1945
1950  1949  O    -14.047767   -1.285148  -14.242362    38  1945  1950
1951  1950  H    -13.199390   -1.308687  -14.764916    39  1949
1952  1951  C     -2.497430  -12.795387   -0.796278    40  1952  1953  1954  1955
1953  1952  H     -1.974087  -13.800793   -0.954404    41  1951
1954  1953  H     -2.750006  -12.314165   -1.765657    41  1951
1955  1954  H     -1.697264  -12.237866   -0.206544    41  1951
1956  1955  O     -3.655478  -12.882542    0.024169    38  1951  1956
1957  1956  H     -4.082899  -11.986544   -0.065777    39  1955
1958  1957  C     14.541807    2.435825  -11.454162    40  1958  1959  1960  1961
1959  1958  H     14.194007    3.584501  -11.379929    41  1957
1960  1959  H     15.227134    2.316452  -10.545763    41  1957
1961  1960  H     15.049912    2.183170  -12.432079    41  1957
1962  1961  O     13.432422    1.624917  -11.183162    38  1957  1962
1963  1962  H     12.639984    1.890098  -11.734126    39  1961
1964  1963  C     -4.319260    8.308179    6.863357    40  1964  1965  1966  1967
1965  1964  H     -3.391530    8.505557    6.400537    41  1963
1966  1965  H     -4.188320    8.155708    7.954633    41  1963
1967  1966  H     -4.889829    7.492376    6.368684    41  1963
1968  1967  O     -5.003625    9.497076    6.767292    38  1963  1968
1969  1968  H     -4.555998   10.141137    7.414871    39  1967
1970  1969  C     -4.193112  -13.297313   -3.851114    40  1970  1971  1972  1973
1971  1970  H     -3.262098  -12.670517   -3.696809    41  1969
1972  1971  H     -4.730221  -13.293598   -2.873683    41  1969
1973  1972  H     -3.983739  -14.395205   -4.050345    41  1969
1974  1973  O     -5.050044  -12.785676   -4.819553    38  1969  1974
1975  1974  H     -5.960732  -12.969255   -4.717519    39  1973
1976  1975  C     -0.008780    5.538360    0.779016    40  1976  1977  1978  1979
1977  1976  H     -0.031616    5.124188   -0.271152    41  1975
1978  1977  H      0.945354    5.179999    1.318481    41  1975
1979  1978  H     -0.890536    5.067287    1.325179    41  1975
1980  1979  O     -0.089472    6.959352    0.808761    38  1975  1980
1981  1980  H     -0.851921    7.190972    0.197760    39  1979
1982  1981  C      8.155058  -15.062643    0.687585    40  1982  1983  1984  1985
1983  1982  H      9.283245  -15.117037    0.644279    41  1981
1984  1983  H      7.982885  -15.252795    1.770977    41  1981
1985  1984  H      7.822168  -15.966929    0.095939    41  1981
1986  1985  O      7.623963  -13.913749    0.175177    38  1981  1986
1987  1986  H      8.133074  -13.143997    0.634237    39  1985
1988  1987  C     11.321654   -7.899642   -1.769299    40  1988  1989  1990  1991
1989  1988  H     12.066829   -8.279113   -1.049962    41  1987
1990  1989  H     10.728680   -8.680831   -2.335097    41  1987
1991  1990  H     11.785655   -7.282968   -2.545296    41  1987
1992  1991  O     10.481382   -7.009776   -1.100513    38  1987  1992
1993  1992  H      9.801629   -6.718450   -1.742545    39  1991
1994  1993  C      3.109150    7.278595   -0.857009    40  1994  1995  1996  1997
1995  1994  H      2.318167    7.137412   -0.109886    41  1993
1996  1995  H      4.059458    7.703952   -0.420482    41  1993
1997  1996  H      2.648208    7.955061   -1.623131    41  1993
1998  1997  O      3.448384    6.007218   -1.364817    38  1993  1998
1999  1998  H      2.722992    5.804666   -2.049739    39  1997
2000  1999  C     -7.039228  -11.910105    2.162668    40  2000  2001  2002  2003
2001  2000  H     -7.022876  -12.470062    1.198261    41  1999
2002  2001  H     -6.057843  -11.529928    2.344651    41  1999
2003  2002  H     -7.376599  -12.557922    3.060444    41  1999
2004  2003  O     -7.877343  -10.759788    2.042794    38  1999  2004
2005  2004  H     -8.529204  -10.769098    2.824452    39  2003
2006  2005  C    -11.270444    5.608062    6.494598    40  2006  2007  2008  2009
2007  2006  H    -10.983000    6.516059    5.904669    41  2005
2008  2007  H    -10.423900    5.307373    7.190732    41  2005
2009  2008  H    -11.424507    4.757452    5.716875    41  2005
2010  2009  O    -12.435598    5.845941    7.300916    38  2005  2010
2011  2010  H    -12.885729    6.440041    6.653511    39  2009
2012  2011  C     10.785317   -4.490894   13.460453    40  2012  2013  2014  2015
2013  2012  H     11.261158   -3.732162   12.819081    41  2011
2014  2013  H      9.715389   -4.256618   13.445080    41  2011
2015  2014  H     11.238300   -4.505921   14.460719    41  2011
2016  2015  O     10.960874   -5.711203   12.736555    38  2011  2016
2017  2016  H     10.929501   -5.588616   11.800171    39  2015
2018  2017  C    -14.104065  -10.511563    6.594723    40  2018  2019  2020  2021
2019  2018  H    -14.238842  -11.413393    5.951248    41  2017
2020  2019  H    -14.301604  -10.753472    7.677498    41  2017
2021  2020  H    -14.811409   -9.738734    6.328513    41  2017
2022  2021  O    -12.828555   -9.928918    6.310331    38  2017  2022
2023  2022  H    -12.195838  -10.650130    6.232146    39  2021
2024  2023  C      1.579229   -5.204978    9.816452    40  2024  2025  2026  2027
2025  2024  H      1.811179   -4.767396   10.790248    41  2023
2026  2025  H      2.008725   -6.257295    9.827597    41  2023
2027  2026  H      2.037879   -4.567913    9.027957    41  2023
2028  2027  O      0.159835   -5.254958    9.637404    38  2023  2028
2029  2028  H      0.066459   -5.270736    8.695144    39  2027
2030  2029  C      5.052004   -7.272545   12.230604    40  2030  2031  2032  2033
2031  2030  H      4.503485   -7.644535   13.107054    41  2029
2032  2031  H      5.744565   -8.068295   11.825010    41  2029
2033  2032  H      5.626285   -6.345836   12.445564    41  2029
2034  2033  O      4.001569   -6.919533   11.239495    38  2029  2034
2035  2034  H      3.238380   -7.472427   11.376510    39  2033
2036  2035  C     -8.385282   -3.156658  -13.270686    40  2036  2037  2038  2039
2037  2036  H     -8.921111   -3.801971  -14.079455    41  2035
2038  2037  H     -8.245603   -2.178312  -13.725888    41  2035
2039  2038  H     -7.424075   -3.631939  -12.965391    41  2035
2040  2039  O     -9.162288   -2.987948  -12.077765    38  2035  2040
2041  2040  H     -9.977799   -3.559831  -12.240549    39  2039
2042  2041  C      2.135965   -6.521501   -4.984484    40  2042  2043  2044  2045
2043  2042  H      2.454085   -5.640276   -4.378876    41  2041
2044  2043  H      1.326149   -7.123064   -4.437104    41  2041
2045  2044  H      3.023220   -7.139172   -5.147297    41  2041
2046  2045  O      1.644177   -6.138507   -6.240139    38  2041  2046
2047  2046  H      0.746576   -6.534253   -6.270630    39  2045
2048  2047  C      6.060476    3.283776  -11.973995    40  2048  2049  2050  2051
2049  2048  H      6.103947    2.604370  -11.093040    41  2047
2050  2049  H      5.018937    3.637327  -12.034626    41  2047
2051  2050  H      6.400683    2.796973  -12.937840    41  2047
2052  2051  O      6.818998    4.481056  -11.817112    38  2047  2052
2053  2052  H      6.363734    5.151680  -12.283805    39  2051
2054  2053  C    -12.284385    8.569590    2.661864    40  2054  2055  2056  2057
2055  2054  H    -12.916743    7.930023    3.239475    41  2053
2056  2055  H    -12.597500    9.591466    2.908006    41  2053
2057  2056  H    -12.225572    8.484489    1.520689    41  2053
2058  2057  O    -11.051639    8.259623    3.186438    38  2053  2058
2059  2058  H    -10.935482    8.819785    4.000266    39  2057
2060  2059  C     12.849536    4.379220    4.736551    40  2060  2061  2062  2063
2061  2060  H     12.948654    3.313291    5.086017    41  2059
2062  2061  H     12.482524    5.070383    5.575760    41  2059
2063  2062  H     12.138740    4.566155    3.891744    41  2059
2064  2063  O     14.191645    4.856606    4.394266    38  2059  2064
2065  2064  H     14.229913    4.600742    3.458781    39  2063
2066  2065  C     -4.158195   13.270539   -7.792957    40  2066  2067  2068  2069
2067  2066  H     -3.757488   14.184178   -7.279898    41  2065
2068  2067  H     -4.456432   13.568949   -8.891304    41  2065
2069  2068  H     -5.091370   12.992172   -7.279827    41  2065
2070  2069  O     -3.293758   12.150381   -7.745202    38  2065  2070
2071  2070  H     -3.015417   12.162766   -6.817484    39  2069
2072  2071  C     14.444881   -7.047854  -12.669419    40  2072  2073  2074  2075
2073  2072  H     13.456535   -6.602126  -12.942358    41  2071
2074  2073  H     14.845731   -7.500516  -13.590360    41  2071
2075  2074  H     14.279658   -7.964348  -12.006818    41  2071
2076  2075  O     15.324188   -6.156699  -11.927818    38  2071  2076
2077  2076  H     14.792052   -6.057361  -11.108650    39  2075
2078  2077  C     -1.331196   -0.301254   -4.061815    40  2078  2079  2080  2081
2079  2078  H     -1.294344   -1.120080   -4.803898    41  2077
2080  2079  H     -2.378655   -0.273790   -3.750963    41  2077
2081  2080  H     -0.979791    0.637255   -4.463251    41  2077
2082  2081  O     -0.638812   -0.680239   -2.899129    38  2077  2082
2083  2082  H     -0.716482   -1.631274   -2.944237    39  2081
2084  2083  C     -2.211976  -13.511713   15.688374    40  2084  2085  2086  2087
2085  2084  H     -1.142662  -13.606622   16.093979    41  2083
2086  2085  H     -2.819130  -12.683308   16.045741    41  2083
2087  2086  H     -2.758143  -14.475636   15.964535    41  2083
2088  2087  O     -2.168091  -13.242932   14.298062    38  2083  2088
2089  2088  H     -1.458183  -12.641687   14.108590    39  2087
2090  2089  C     -9.719493   14.271489    3.769805    40  2090  2091  2092  2093
2091  2090  H     -8.819259   14.815218    3.425469    41  2089
2092  2091  H    -10.274084   14.917844    4.541861    41  2089
2093  2092  H     -9.191840   13.400954    4.240366    41  2089
2094  2093  O    -10.604025   13.976501    2.686790    38  2089  2094
2095  2094  H    -10.010839   13.551707    2.075075    39  2093
2096  2095  C     10.036079   -2.042649   -9.859528    40  2096  2097  2098  2099
2097  2096  H     10.356253   -3.087676  -10.045463    41  2095
2098  2097  H      9.059353   -2.007759   -9.254283    41  2095
2099  2098  H      9.873734   -1.584151  -10.861572    41  2095
2100  2099  O     11.043173   -1.387758   -9.072015    38  2095  2100
2101  2100  H     11.802083   -1.449027   -9.682883    39  2099
2102  2101  C      8.591684    3.298674   13.661203    40  2102  2103  2104  2105
2103  2102  H      9.657190    3.260625   13.895116    41  2101
2104  2103  H      8.189417    2.587973   12.891046    41  2101
2105  2104  H      8.389471    4.344955   13.343402    41  2101
2106  2105  O      8.044827    2.985235   14.924655    38  2101  2106
2107  2106  H      8.338891    3.597217   15.613385    39  2105
2108  2107  C     -8.294392  -13.027904    8.748618    40  2108  2109  2110  2111
2109  2108  H     -8.905941  -12.678084    9.614030    41  2107
2110  2109  H     -8.780366  -12.542576    7.816129    41  2107
2111  2110  H     -8.404515  -14.123118    8.710205    41  2107
2112  2111  O     -6.968161  -12.614761    8.909185    38  2107  2112
2113  2112  H     -6.564221  -12.510100    8.041004    39  2111
2114  2113  C    -14.273024  -10.080058    3.307263    40  2114  2115  2116  2117
2115  2114  H    -14.124179  -11.162482    3.614734    41  2113
2116  2115  H    -13.552501   -9.294739    3.699240    41  2113
2117  2116  H    -15.223173   -9.682087    3.639191    41  2113
2118  2117  O    -14.281845   -9.995242    1.896570    38  2113  2118
2119  2118  H    -13.418928   -9.667579    1.657790    39  2117
2120  2119  C     -0.970404   -4.224178   12.806371    40  2120  2121  2122  2123
2121  2120  H     -1.439933   -5.017622   13.512980    41  2119
2122  2121  H      0.117110   -4.368190   12.540242    41  2119
2123  2122  H     -1.090210   -3.315791   13.398850    41  2119
2124  2123  O     -1.756545   -4.240031   11.614148    38  2119  2124
2125  2124  H     -1.496192   -5.086686   11.095966    39  2123
2126  2125  C      6.319064   -9.716553    3.783353    40  2126  2127  2128  2129
2127  2126  H      5.981929  -10.704148    4.249318    41  2125
2128  2127  H      7.219931   -9.457094    4.421138    41  2125
2129  2128  H      5.557704   -8.910822    3.957587    41  2125
2130  2129  O      6.674001   -9.909046    2.447989    38  2125  2130
2131  2130  H      6.531681   -9.053141    2.017341    39  2129
2132  2131  C    -11.045280  -13.143120    6.163707    40  2132  2133  2134  2135
2133  2132  H    -11.821710  -13.906449    5.906138    41  2131
2134  2133  H    -10.118894  -13.712555    6.039088    41  2131
2135  2134  H    -11.221678  -13.031736    7.285398    41  2131
2136  2135  O    -10.987169  -11.877470    5.528871    38  2131  2136
2137  2136  H    -10.985765  -11.950697    4.517450    39  2135
2138  2137  C     11.842856   -2.449900   -3.153382    40  2138  2139  2140  2141
2139  2138  H     11.569423   -3.430850   -2.676158    41  2137
2140  2139  H     11.386071   -2.459302   -4.135425    41  2137
2141  2140  H     12.932677   -2.428870   -3.324484    41  2137
2142  2141  O     11.518061   -1.291000   -2.461593    38  2137  2142
2143  2142  H     11.752930   -0.583347   -3.083283    39  2141
2144  2143  C      7.517951   -6.631391    0.613864    40  2144  2145  2146  2147
2145  2144  H      7.594672   -7.006776   -0.438925    41  2143
2146  2145  H      7.368643   -5.606973    0.441476    41  2143
2147  2146  H      8.507235   -6.617007    1.179244    41  2143
2148  2147  O      6.458925   -7.169320    1.364422    38  2143  2148
2149  2148  H      6.261188   -6.433291    1.910283    39  2147
2150  2149  C     -4.859385   -4.294142   10.727569    40  2150  2151  2152  2153
2151  2150  H     -5.977868   -4.140322   10.526627    41  2149
2152  2151  H     -4.489453   -4.941925    9.874267    41  2149
2153  2152  H     -4.711676   -4.892147   11.683590    41  2149
2154  2153  O     -4.209952   -3.040710   10.648173    38  2149  2154
2155  2154  H     -3.340848   -3.189207   10.984816    39  2153
2156  2155  C     14.745655    1.138752    1.721633    40  2156  2157  2158  2159
2157  2156  H     14.755370    0.078443    1.993884    41  2155
2158  2157  H     15.028146    1.240346    0.637552    41  2155
2159  2158  H     15.500652    1.690363    2.287593    41  2155
2160  2159  O     13.484445    1.769644    2.053320    38  2155  2160
2161  2160  H     13.477624    1.891282    3.012035    39  2159
2162  2161  C     10.538646   -1.057316   12.850257    40  2162  2163  2164  2165
2163  2162  H     10.253232   -0.040964   13.173848    41  2161
2164  2163  H      9.624143   -1.611887   12.790941    41  2161
2165  2164  H     11.220896   -1.568310   13.601059    41  2161
2166  2165  O     11.167168   -1.143598   11.597644    38  2161  2166
2167  2166  H     10.776023   -0.515755   10.943254    39  2165
2168  2167  C      2.047474    1.947146   -8.155519    40  2168  2169  2170  2171
2169  2168  H      2.490898    1.012182   -8.587050    41  2167
2170  2169  H      2.604225    2.182093   -7.248841    41  2167
2171  2170  H      0.983846    1.720624   -7.859907    41  2167
2172  2171  O      2.076786    2.964327   -9.098490    38  2167  2172
2173  2172  H      3.036848    3.104504   -9.304010    39  2171
2174  2173  C      9.783141    5.472650   -9.861999    40  2174  2175  2176  2177
2175  2174  H      9.849213    4.412269   -9.647744    41  2173
2176  2175  H      9.402918    5.967313   -8.924996    41  2173
2177  2176  H      9.029723    5.668487  -10.618806    41  2173
2178  2177  O     10.994964    6.080772  -10.234728    38  2173  2178
2179  2178  H     11.527523    5.958616   -9.451561    39  2177
2180  2179  C    -14.270961    3.606192   13.655796    40  2180  2181  2182  2183
2181  2180  H    -14.887518    2.994119   12.869538    41  2179
2182  2181  H    -13.159330    3.483126   13.426258    41  2179
2183  2182  H    -14.552289    3.166824   14.629719    41  2179
2184  2183  O    -14.726335    4.938352   13.664425    38  2179  2184
2185  2184  H    -13.986740    5.595461   13.578314    39  2183
2186  2185  C     -4.179827   13.638309   10.132086    40  2186  2187  2188  2189
2187  2186  H     -4.553297   14.749987   10.280600    41  2185
2188  2187  H     -4.108953   13.210232   11.181431    41  2185
2189  2188  H     -3.182192   13.514551    9.690921    41  2185
2190  2189  O     -5.009094   12.903493    9.291347    38  2185  2190
2191  2190  H     -4.442990   12.195606    8.904312    39  2189
2192  2191  C      3.330702    2.933202   -0.891057    40  2192  2193  2194  2195
2193  2192  H      3.250985    3.316365   -1.935845    41  2191
2194  2193  H      3.528346    1.801332   -0.888375    41  2191
2195  2194  H      2.400080    3.217146   -0.344880    41  2191
2196  2195  O      4.372310    3.667431   -0.255642    38  2191  2196
2197  2196  H      4.174299    4.647085   -0.430231    39  2195
2198  2197  C     13.648433    3.518027   -3.920477    40  2198  2199  2200  2201
2199  2198  H     13.289227    2.757024   -4.633193    41  2197
2200  2199  H     13.591188    3.179904   -2.856066    41  2197
2201  2200  H     13.074439    4.436514   -3.895520    41  2197
2202  2201  O     15.017471    3.875055   -4.095959    38  2197  2202
2203  2202  H     15.194855    4.754081   -3.712899    39  2201
2204  2203  C     -0.748203   -9.025957    9.738493    40  2204  2205  2206  2207
2205  2204  H      0.231512   -8.816811    9.201693    41  2203
2206  2205  H     -1.304619   -9.704369    9.033167    41  2203
2207  2206  H     -1.349135   -8.100501    9.801497    41  2203
2208  2207  O     -0.368741   -9.530708   11.015352    38  2203  2208
2209  2208  H     -1.155431   -9.709983   11.481318    39  2207
2210  2209  C     12.885134  -11.019244   10.160506    40  2210  2211  2212  2213
2211  2210  H     13.926608  -10.888387   10.509697    41  2209
2212  2211  H     12.872038  -11.546152    9.189989    41  2209
2213  2212  H     12.379545  -11.566038   10.906551    41  2209
2214  2213  O     12.187379   -9.783906   10.017099    38  2209  2214
2215  2214  H     12.166618   -9.686532    9.064946    39  2213
2216  2215  C    -12.438390    5.884011   -8.428189    40  2216  2217  2218  2219
2217  2216  H    -12.007541    4.851723   -8.391663    41  2215
2218  2217  H    -13.242471    5.855137   -9.235201    41  2215
2219  2218  H    -11.705218    6.666749   -8.661478    41  2215
2220  2219  O    -12.970223    6.146613   -7.123139    38  2215  2220
2221  2220  H    -13.285347    5.278285   -6.702962    39  2219
2222  2221  C      1.926792   -9.504773   -7.228314    40  2222  2223  2224  2225
2223  2222  H      2.441279   -8.469555   -7.321769    41  2221
2224  2223  H      0.926054   -9.401928   -7.664345    41  2221
2225  2224  H      1.678545   -9.790888   -6.148265    41  2221
2226  2225  O      2.624938  -10.529025   -7.900035    38  2221  2226
2227  2226  H      2.569586  -11.273576   -7.358739    39  2225
2228  2227  C     -9.027967    0.700515    9.806515    40  2228  2229  2230  2231
2229  2228  H     -9.744515    0.837106    8.936651    41  2227
2230  2229  H     -8.734659    1.640447   10.312752    41  2227
2231  2230  H     -8.004319    0.362245    9.420826    41  2227
2232  2231  O     -9.502286   -0.203069   10.791823    38  2227  2232
2233  2232  H     -9.823456   -1.070860   10.324094    39  2231
2234  2233  C      7.018708  -10.597390  -10.086310    40  2234  2235  2236  2237
2235  2234  H      7.676859  -11.395076  -10.470257    41  2233
2236  2235  H      6.112204  -11.085769   -9.563694    41  2233
2237  2236  H      6.806913   -9.850468  -10.951637    41  2233
2238  2237  O      7.798799   -9.833955   -9.162415    38  2233  2238
2239  2238  H      8.487368   -9.336136   -9.677244    39  2237
2240  2239  C     12.475938    8.559984  -11.708225    40  2240  2241  2242  2243
2241  2240  H     12.917528    8.728829  -10.750008    41  2239
2242  2241  H     13.017190    9.120385  -12.507618    41  2239
2243  2242  H     11.475886    8.862075  -11.590672    41  2239
2244  2243  O     12.435927    7.208893  -12.124502    38  2239  2244
2245  2244  H     11.883643    6.748730  -11.540338    39  2243
2246  2245  C      8.856919  -10.860058    7.516140    40  2246  2247  2248  2249
2247  2246  H      9.862345  -10.738744    7.014233    41  2245
2248  2247  H      8.918000  -11.491446    8.431615    41  2245
2249  2248  H      8.140276  -11.300531    6.820712    41  2245
2250  2249  O      8.431207   -9.588574    7.943748    38  2245  2250
2251  2250  H      8.785016   -9.497778    8.848996    39  2249
2252  2251  C    -12.168904  -12.719572   -3.096370    40  2252  2253  2254  2255
2253  2252  H    -13.126029  -12.440665   -2.509345    41  2251
2254  2253  H    -12.365057  -13.726598   -3.456328    41  2251
2255  2254  H    -11.251494  -12.698327   -2.460948    41  2251
2256  2255  O    -12.010266  -11.878597   -4.178645    38  2251  2256
2257  2256  H    -11.397820  -11.083733   -3.882899    39  2255
2258  2257  C      2.972272   -4.582651   -8.552452    40  2258  2259  2260  2261
2259  2258  H      2.588534   -3.797530   -7.875191    41  2257
2260  2259  H      3.818290   -5.197100   -8.129751    41  2257
2261  2260  H      3.280562   -4.033839   -9.464441    41  2257
2262  2261  O      1.789586   -5.391748   -8.857846    38  2257  2262
2263  2262  H      1.633102   -5.735768   -8.022157    39  2261
2264  2263  C     -6.311640   12.944687  -10.768736    40  2264  2265  2266  2267
2265  2264  H     -6.617534   12.983387   -9.761875    41  2263
2266  2265  H     -5.738576   12.029822  -10.864983    41  2263
2267  2266  H     -5.733547   13.776939  -11.180999    41  2263
2268  2267  O     -7.436083   12.869457  -11.578961    38  2263  2268
2269  2268  H     -7.282886   13.404188  -12.356279    39  2267
2270  2269  C      0.016764   -8.804649    5.448373    40  2270  2271  2272  2273
2271  2270  H     -0.069393   -7.840940    6.078944    41  2269
2272  2271  H     -0.753873   -8.793450    4.666560    41  2269
2273  2272  H     -0.097348   -9.640716    6.142967    41  2269
2274  2273  O      1.276285   -8.985686    4.748225    38  2269  2274
2275  2274  H      1.702877   -8.187528    4.565720    39  2273
2276  2275  C    -11.459310   -3.637576   -6.706025    40  2276  2277  2278  2279
2277  2276  H    -11.113809   -3.754248   -7.765500    41  2275
2278  2277  H    -10.823529   -2.962985   -6.099384    41  2275
2279  2278  H    -11.477211   -4.634907   -6.308158    41  2275
2280  2279  O    -12.809501   -3.281738   -6.610733    38  2275  2280
2281  2280  H    -13.011170   -3.400226   -5.662499    39  2279
2282  2281  C      4.878612  -12.724776    1.501317    40  2282  2283  2284  2285
2283  2282  H      3.902968  -12.263213    1.843815    41  2281
2284  2283  H      4.880328  -13.825800    1.819623    41  2281
2285  2284  H      5.795465  -12.303884    1.915746    41  2281
2286  2285  O      5.030615  -12.766023    0.061500    38  2281  2286
2287  2286  H      5.780913  -13.355982   -0.126070    39  2285
2288  2287  C     15.131234    1.666902    5.346767    40  2288  2289  2290  2291
2289  2288  H     15.259558    1.107391    6.292023    41  2287
2290  2289  H     15.927302    1.399342    4.584969    41  2287
2291  2290  H     15.160338    2.767220    5.529602    41  2287
2292  2291  O     13.812432    1.471053    4.797993    38  2287  2292
2293  2292  H     13.670841    0.536728    4.735497    39  2291
2294  2293  C     -8.930224   -8.917003    9.170732    40  2294  2295  2296  2297
2295  2294  H     -8.791079   -8.075192    8.509206    41  2293
2296  2295  H     -8.009325   -9.120161    9.763492    41  2293
2297  2296  H     -9.230025   -9.816418    8.604004    41  2293
2298  2297  O    -10.028602   -8.621128   10.032526    38  2293  2298
2299  2298  H    -10.847161   -8.488957    9.523767    39  2297
2300  2299  C     12.603039   12.728328   -1.865999    40  2300  2301  2302  2303
2301  2300  H     13.309548   13.229374   -1.116025    41  2299
2302  2301  H     11.588725   13.189428   -1.880467    41  2299
2303  2302  H     12.512810   11.681622   -1.656805    41  2299
2304  2303  O     13.180176   12.900717   -3.182896    38  2299  2304
2305  2304  H     12.521100   12.607905   -3.783223    39  2303
2306  2305  C      8.627155    3.069903    2.305716    40  2306  2307  2308  2309
2307  2306  H      9.551836    3.644165    2.012373    41  2305
2308  2307  H      8.022553    3.017291    1.379621    41  2305
2309  2308  H      8.033288    3.529419    3.197142    41  2305
2310  2309  O      9.134595    1.800288    2.660994    38  2305  2310
2311  2310  H      9.540208    1.443541    1.822946    39  2309
2312  2311  C    -11.818646   -8.624990  -12.338777    40  2312  2313  2314  2315
2313  2312  H    -12.325054   -9.325728  -11.728810    41  2311
2314  2313  H    -12.198401   -7.613710  -11.982135    41  2311
2315  2314  H    -12.101313   -8.748443  -13.420067    41  2311
2316  2315  O    -10.445190   -8.710438  -11.999090    38  2311  2316
2317  2316  H    -10.179330   -9.563345  -12.337035    39  2315
2318  2317  C    -11.475647   11.325752    5.859323    40  2318  2319  2320  2321
2319  2318  H    -10.929390   11.718659    6.728714    41  2317
2320  2319  H    -11.664854   12.119639    5.122479    41  2317
2321  2320  H    -12.497148   11.089664    6.208587    41  2317
2322  2321  O    -10.737240   10.260907    5.255863    38  2317  2322
2323  2322  H    -10.365012    9.779637    6.045831    39  2321
2324  2323  C    -14.359090   -1.521906    7.773102    40  2324  2325  2326  2327
2325  2324  H    -14.706248   -0.475524    7.573115    41  2323
2326  2325  H    -14.982006   -2.302702    7.239632    41  2323
2327  2326  H    -14.602120   -1.742881    8.861431    41  2323
2328  2327  O    -12.970671   -1.641537    7.545038    38  2323  2328
2329  2328  H    -12.760816   -0.769143    7.066239    39  2327
2330  2329  C     10.518657   13.632221    6.813907    40  2330  2331  2332  2333
2331  2330  H      9.918203   12.864889    7.326975    41  2329
2332  2331  H      9.910936   14.569244    6.949129    41  2329
2333  2332  H     10.515145   13.384604    5.762716    41  2329
2334  2333  O     11.779687   13.755614    7.429670    38  2329  2334
2335  2334  H     12.303980   12.970676    7.367004    39  2333
2336  2335  C      8.427041   -6.533065   11.162125    40  2336  2337  2338  2339
2337  2336  H      9.325254   -7.042615   10.704064    41  2335
2338  2337  H      8.490351   -6.562185   12.216904    41  2335
2339  2338  H      7.450369   -7.098697   10.855568    41  2335
2340  2339  O      8.314553   -5.104600   10.808666    38  2335  2340
2341  2340  H      8.648583   -5.006173    9.901990    39  2339
2342  2341  C      1.339649   15.509088  -15.039957    40  2342  2343  2344  2345
2343  2342  H      2.363835   15.505614  -15.492553    41  2341
2344  2343  H      0.636111   15.967613  -15.739832    41  2341
2345  2344  H      1.345255   16.106187  -14.080667    41  2341
2346  2345  O      0.926424   14.190334  -14.653095    38  2341  2346
2347  2346  H      1.090595   13.482422  -15.324456    39  2345
2348  2347  C     -6.333954   14.265020   -2.359789    40  2348  2349  2350  2351
2349  2348  H     -6.292878   15.348844   -2.002689    41  2347
2350  2349  H     -5.310024   13.933427   -2.501964    41  2347
2351  2350  H     -6.898464   14.085103   -3.324439    41  2347
2352  2351  O     -6.940376   13.537029   -1.317598    38  2347  2352
2353  2352  H     -6.331219   13.695835   -0.550305    39  2351
2354  2353  C    -15.416401    7.874318    5.760742    40  2354  2355  2356  2357
2355  2354  H    -16.018375    7.230647    6.445831    41  2353
2356  2355  H    -15.200628    8.758666    6.377823    41  2353
2357  2356  H    -16.126620    8.025003    4.856430    41  2353
2358  2357  O    -14.323381    7.063273    5.430332    38  2353  2358
2359  2358  H    -14.768749    6.344307    4.915066    39  2357
2360  2359  C      4.267272   -3.610170    8.449853    40  2360  2361  2362  2363
2361  2360  H      5.267933   -3.404019    8.054292    41  2359
2362  2361  H      3.799772   -2.735024    8.965076    41  2359
2363  2362  H      4.623307   -4.309784    9.310939    41  2359
2364  2363  O      3.437687   -4.171744    7.414086    38  2359  2364
2365  2364  H      3.926932   -4.953387    7.043020    39  2363
2366  2365  C      7.880805   11.754069    9.916951    40  2366  2367  2368  2369
2367  2366  H      8.434532   11.026195   10.523147    41  2365
2368  2367  H      6.800672   11.467923    9.958633    41  2365
2369  2368  H      8.226381   11.732340    8.837566    41  2365
2370  2369  O      8.250957   12.986519   10.490987    38  2365  2370
2371  2370  H      7.589073   13.544206    9.995453    39  2369
2372  2371  C     -6.877537    8.954674   12.418432    40  2372  2373  2374  2375
2373  2372  H     -7.718459    9.047209   11.802022    41  2371
2374  2373  H     -6.117030    9.772975   12.234443    41  2371
2375  2374  H     -6.430332    7.985448   12.335318    41  2371
2376  2375  O     -7.250640    9.055920   13.814213    38  2371  2376
2377  2376  H     -7.112021    8.146317   14.151163    39  2375
2378  2377  C      1.302556   -1.039931  -11.039715    40  2378  2379  2380  2381
2379  2378  H      0.678251   -1.496800  -11.799278    41  2377
2380  2379  H      1.362767   -1.802141  -10.242853    41  2377
2381  2380  H      0.914759   -0.044144  -10.719456    41  2377
2382  2381  O      2.643902   -0.787681  -11.468613    38  2377  2382
2383  2382  H      2.599975    0.088367  -11.977707    39  2381
2384  2383  C     -0.900019    3.518338  -14.824883    40  2384  2385  2386  2387
2385  2384  H     -0.905544    4.600307  -14.752993    41  2383
2386  2385  H     -0.403845    3.175427  -13.853206    41  2383
2387  2386  H     -0.291193    3.319298  -15.688108    41  2383
2388  2387  O     -2.238753    3.086579  -14.861643    38  2383  2388
2389  2388  H     -2.231958    2.258220  -14.347471    39  2387
2390  2389  C      0.155207   11.942939   -0.002719    40  2390  2391  2392  2393
2391  2390  H      0.524111   11.296322    0.764588    41  2389
2392  2391  H      0.444776   12.971166    0.153250    41  2389
2393  2392  H     -0.954709   11.817320   -0.020383    41  2389
2394  2393  O      0.618567   11.508311   -1.276149    38  2389  2394
2395  2394  H      1.586050   11.625437   -1.169725    39  2393
2396  2395  C     -5.851666    3.147604    1.589347    40  2396  2397  2398  2399
2397  2396  H     -5.114449    3.923521    1.191927    41  2395
2398  2397  H     -6.556997    2.832479    0.836417    41  2395
2399  2398  H     -6.365282    3.633206    2.494432    41  2395
2400  2399  O     -5.013086    2.121406    2.046961    38  2395  2400
2401  2400  H     -4.685736    2.449098    2.938911    39  2399
2402