


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.32770
 C       1.46622  0      0.00000  0      0.00000  0     1   0   0   -0.06390
 C       1.50739  0    114.62350  0      0.00000  0     2   1   0    0.14540
 O       1.25884  0    120.97328  0    314.84163  0     3   2   1   -0.27130
 H       1.10711  1    117.15770  1    135.91154  1     3   2   1    0.09840
 C       1.54251  1    107.82136  1     80.41669  1     2   3   4   -0.20960
 C       1.51173  1    112.28347  1     50.57984  1     6   2   3    0.29510
 O       1.25591  1    122.24111  1     59.21568  1     7   6   2   -0.43490
 N       1.36860  1    118.04779  1    236.30432  1     7   6   2   -0.42560
 H       0.99133  1    120.07724  1    174.99688  1     9   7   6    0.22120
 H       0.99424  1    120.83078  1      8.08178  1     9   7   6    0.24430
 H       1.12495  1    109.17483  1    168.98842  1     6   2   3    0.12320
 H       1.12611  1    108.66063  1    286.31708  1     6   2   3    0.13610
 H       1.13186  1    108.00108  1    196.68367  1     2   3   4    0.10380
 H       1.00529  1    110.34417  1    130.83617  1     1   2   3    0.16720
 H       1.00929  1    110.30579  1     13.57969  1     1   2   3    0.18780
 N       8.13001  0     73.66202  0    343.54714  0     3   2   1   -0.32720
 C       1.48397  0     48.33677  0    297.43069  0    17   3   2   -0.04370
 C       1.51580  0    111.83594  0    112.36719  0    18  17   3    0.31920
 O       1.23774  0    120.30369  0     51.63594  0    19  18  17   -0.44350
 N       1.33961  0    119.92046  0    231.94090  0    19  18  17   -0.36750
 C       1.47286  0    117.08269  0    178.99812  0    21  19  18   -0.04530
 C       1.50006  0    112.06490  0    290.64119  0    22  21  19    0.19900
 O       1.22392  0    118.76948  0    161.61124  0    23  22  21   -0.32350
 H       1.11186  1    118.64731  1    342.79111  1    23  22  21    0.10010
 C       1.54130  1    112.56468  1    166.99311  1    22  21  19   -0.07830
 C       1.46694  1    111.70845  1    270.10717  1    26  22  21   -0.17620
 C       1.39804  1    127.16138  1     76.18109  1    27  26  22   -0.04440
 N       1.39648  1    109.86579  1    178.05164  1    28  27  26   -0.21040
 C       1.39689  1    108.55853  1    359.87403  1    29  28  27   -0.01600
 C       1.44779  1    108.06077  1      0.89552  1    30  29  28   -0.07240
 C       1.39575  1    119.40054  1    178.21448  1    31  30  29   -0.08790
 C       1.38701  1    118.94053  1      0.72956  1    32  31  30   -0.16800
 C       1.40635  1    121.33401  1      0.32588  1    33  32  31   -0.14180
 C       1.38594  1    121.60077  1    359.37956  1    34  33  32   -0.13180
 H       1.09954  1    121.50284  1    178.58482  1    35  34  33    0.14960
 H       1.09958  1    119.10664  1    179.28552  1    34  33  32    0.11590
 H       1.09894  1    119.69647  1    180.65428  1    33  32  31    0.10700
 H       1.09946  1    119.94886  1    181.24517  1    32  31  30    0.13360
 H       0.98711  1    126.38901  1    182.28599  1    29  28  27    0.25660
 H       1.10148  1    128.41728  1    356.10215  1    28  27  26    0.21490
 H       1.12462  1    110.56290  1     32.96255  1    26  22  21    0.09940
 H       1.12451  1    108.08741  1    150.39622  1    26  22  21    0.09170
 H       1.13653  1    107.41078  1     47.62030  1    22  21  19    0.14340
 H       0.99825  1    124.89010  1    358.18257  1    21  19  18    0.28380
 C       1.52710  1    112.46621  1    342.03725  1    18  17   3   -0.22360
 C       1.52913  1    112.10564  1    185.66206  1    46  18  17    0.31850
 O       1.26121  1    122.20582  1     58.62678  1    47  46  18   -0.54510
 C       2.61988  0    103.58361  1    163.49175  1    48  47  46   -0.06560
Cl       1.80953  1    162.27992  1    112.92213  1    49  48  47   -0.28740
 H       1.11464  1     60.90601  1    155.41506  1    49  48  47    0.13380
 H       1.11818  1     72.85690  1     28.42626  1    49  48  47    0.15840
 C       1.50487  1     85.21508  1    274.15845  1    49  48  47   -0.16760
 H       1.12224  1    110.76034  1    142.67441  1    53  49  48    0.06350
 C       1.51307  1    112.42427  1    267.03595  1    53  49  48   -0.17050
 H       1.12288  1    108.65141  1     69.60629  1    55  53  49    0.10920
 H       1.12426  1    109.68210  1    312.66208  1    55  53  49    0.05400
 C       1.50701  1    111.85618  1    190.79389  1    55  53  49   -0.22500
 H       1.11831  1    110.48296  1    297.47050  1    58  55  53    0.10730
 H       1.11683  1    110.46434  1    177.56163  1    58  55  53    0.07590
 H       1.11901  1    111.12095  1     57.13467  1    58  55  53    0.04540
 H       1.12997  1    106.52883  1     26.35631  1    53  49  48    0.15960
 O       1.28221  1    117.12237  1    239.57385  1    47  46  18   -0.66120
 H       1.12099  1    108.29447  1    304.47613  1    46  18  17    0.11500
 H       1.11965  1    111.57562  1     62.92386  1    46  18  17    0.09410
 H       1.14400  1    109.46333  1    225.68683  1    18  17   3    0.09410
 H       1.00211  1    155.09262  1    318.47448  1    17   3   2    0.13720
 H       1.00361  1     88.79947  1    182.35101  1    17   3   2    0.16030
 N      12.39849  0     94.35127  0    340.03018  0     3   2   1   -0.32840
 C       1.46232  0     47.10766  0    254.76067  0    69   3   2   -0.12800
 C       1.52242  0    109.96185  0     63.74052  0    70  69   3    0.19800
 O       1.22259  0    122.70647  0    243.71115  0    71  70  69   -0.30060
 H       1.11327  1    115.13852  1     64.98676  1    71  70  69    0.09150
 C       1.53532  1    113.26570  1    299.48255  1    70  69   3   -0.16810
 C       1.51167  1    111.45183  1    282.53851  1    74  70  69   -0.21120
 C       1.52013  1    109.77487  1    282.82731  1    75  74  70    0.31830
 O       1.27899  1    117.95834  1    274.68570  1    76  75  74   -0.63260
 O       1.26341  1    121.62143  1     93.08036  1    76  75  74   -0.56790
 H       1.11823  1    111.27342  1     44.57972  1    75  74  70    0.06230
 H       1.12253  1    108.69973  1    163.96959  1    75  74  70    0.10240
 H       1.12151  1    110.36048  1     45.26088  1    74  70  69    0.08270
 H       1.12130  1    108.77374  1    161.58436  1    74  70  69    0.10980
 H       1.13588  1    107.96632  1    180.28271  1    70  69   3    0.15170
 H       1.00245  1    132.71426  1    180.06346  1    69   3   2    0.14620
 H       1.00272  1     63.65913  1     89.07139  1    69   3   2    0.13040
 N      11.56490  0     68.79739  0    322.18196  0     3   2   1   -0.33710
 C       1.46852  0    110.47555  0    288.43467  0    86   3   2   -0.09380
 C       1.52995  0    105.15846  0    155.37265  0    87  86   3    0.20250
 O       1.22685  0    122.41819  0    269.57918  0    88  87  86   -0.30280
 H       1.11135  1    115.29105  1     88.50086  1    88  87  86    0.08130
 C       1.54104  1    117.01503  1     32.77680  1    87  86   3   -0.12810
 C       1.52047  1    111.24529  1    311.73891  1    91  87  86   -0.16590
 C       1.50748  1    112.57874  1    184.14718  1    92  91  87   -0.20630
 H       1.11800  1    111.01809  1     69.48781  1    93  92  91    0.05400
 H       1.11832  1    109.86732  1    189.19685  1    93  92  91    0.09500
 H       1.11679  1    110.70325  1    308.95316  1    93  92  91    0.07270
 H       1.12255  1    109.69466  1    306.37359  1    92  91  87    0.08330
 H       1.12511  1    109.43792  1     63.79573  1    92  91  87    0.10220
 C       1.51458  1    108.93227  1    188.33159  1    91  87  86   -0.20340
 H       1.11681  1    110.75477  1     68.88265  1    99  91  87    0.06740
 H       1.11666  1    110.26445  1    188.90459  1    99  91  87    0.07740
 H       1.11751  1    110.24944  1    308.45769  1    99  91  87    0.06120
 H       1.12779  1    108.02537  1     70.44093  1    91  87  86    0.10970
 H       1.12947  1    107.49491  1    270.82699  1    87  86   3    0.10540
 H       1.00370  1     38.22216  1    193.12446  1    86   3   2    0.16090
 H       1.00347  1     72.57066  1     33.73463  1    86   3   2    0.16340
 N      16.87794  0     96.95425  0    285.61404  0     3   2   1   -0.32360
 C       1.46663  0     27.17430  0    209.52028  0   107   3   2   -0.06550
 C       1.52471  0    108.13509  0    213.77101  0   108 107   3    0.28240
 O       1.23815  0    116.57639  0    317.15529  0   109 108 107   -0.43380
 N       1.32775  0    118.30977  0    135.45248  0   109 108 107   -0.28540
 C       1.47342  0    117.86350  0    184.47984  0   111 109 108   -0.04360
 C       1.52829  0    110.25216  0    303.63816  0   112 111 109    0.18170
 O       1.23221  0    122.94278  0    317.80146  0   113 112 111   -0.29150
 H       1.11134  1    114.74002  1    138.60564  1   113 112 111    0.09760
 C       1.54172  1    106.77189  1    183.44831  1   112 111 109   -0.15320
 C       1.52707  1    106.37958  1      6.54511  1   116 112 111   -0.17600
 C       1.53774  1    106.95899  1    350.50880  1   117 116 112   -0.01260
 H       1.12582  1    111.24809  1    129.12463  1   118 117 116    0.09960
 H       1.12643  1    110.30144  1    249.96204  1   118 117 116    0.09560
 H       1.11860  1    110.56454  1    110.75249  1   117 116 112    0.11710
 H       1.12009  1    110.53554  1    230.93498  1   117 116 112    0.12450
 H       1.11804  1    110.99162  1    127.11536  1   116 112 111    0.10700
 H       1.11838  1    109.71463  1    247.17180  1   116 112 111    0.10780
 H       1.12536  1    108.82652  1     62.95534  1   112 111 109    0.11260
 C       1.54186  1    112.16162  1     93.52552  1   108 107   3   -0.11350
 C       1.48723  1    111.24146  1    225.79118  1   126 108 107   -0.09670
 C       1.40041  1    119.80234  1     76.70543  1   127 126 108   -0.11950
 C       1.39263  1    120.22050  1    179.58191  1   128 127 126   -0.14430
 C       1.39505  1    120.10484  1    359.96406  1   129 128 127   -0.12970
 C       1.39436  1    119.87031  1      0.06092  1   130 129 128   -0.13070
 C       1.39433  1    120.19800  1    359.95629  1   131 130 129   -0.11500
 H       1.10130  1    119.87158  1    179.39994  1   132 131 130    0.14480
 H       1.10283  1    119.91133  1    180.14430  1   131 130 129    0.14250
 H       1.10120  1    120.03911  1    179.92082  1   130 129 128    0.13790
 H       1.09981  1    120.01573  1    179.63464  1   129 128 127    0.12670
 H       1.10007  1    119.60222  1    359.20832  1   128 127 126    0.13230
 H       1.12406  1    109.99009  1    346.20512  1   126 108 107    0.10030
 H       1.12252  1    109.30208  1    103.49074  1   126 108 107    0.10180
 H       1.13016  1    106.55673  1    334.46012  1   108 107   3    0.12970
 H       1.00372  1    133.55368  1    241.98690  1   107   3   2    0.14650
 H       1.00204  1    105.05663  1    107.04062  1   107   3   2    0.14190
 N      16.72432  0    124.91452  0    276.79549  0     3   2   1   -0.35310
 C       1.46982  0     76.68359  0    213.57442  0   143   3   2   -0.04150
 C       1.52299  0    110.19106  0     52.87280  0   144 143   3    0.26710
 O       1.24638  0    120.17788  0    138.05139  0   145 144 143   -0.41270
 N       1.35028  0    117.73900  0    319.49297  0   145 144 143   -0.34830
 C       1.46683  0    116.78461  0    184.83260  0   147 145 144   -0.04150
 C       1.52793  0    113.40179  0    245.30481  0   148 147 145    0.20030
 O       1.22892  0    121.51607  0    191.21863  0   149 148 147   -0.35490
 H       1.11358  1    117.08965  1     11.40908  1   149 148 147    0.09930
 C       1.54504  1    112.53272  1    123.36593  1   148 147 145   -0.22010
 C       1.53206  1    114.60764  1    337.10327  1   152 148 147    0.31730
 O       1.26449  1    119.42595  1    251.22115  1   153 152 148   -0.56800
 O       1.26963  1    118.30342  1     71.69364  1   153 152 148   -0.59580
 H       1.12107  1    109.36442  1     97.11059  1   152 148 147    0.07820
 H       1.11786  1    107.96591  1    214.67882  1   152 148 147    0.08840
 H       1.13446  1    109.04458  1      3.45104  1   148 147 145    0.14910
 H       1.00327  1    122.33307  1    337.56506  1   147 145 144    0.27690
 C       1.52911  1    115.30001  1    283.61259  1   144 143   3   -0.13100
 C       1.50478  1    113.03473  1     91.69231  1   160 144 143   -0.21590
 C       1.51399  1    112.91072  1    175.11433  1   161 160 144    0.30970
 O       1.25546  1    123.06090  1     12.00390  1   162 161 160   -0.44810
 N       1.36561  1    115.58017  1    192.08115  1   162 161 160   -0.42340
 H       0.98664  1    120.29537  1    184.36418  1   164 162 161    0.20690
 H       1.00372  1    119.89325  1    359.20432  1   164 162 161    0.28260
 H       1.12686  1    110.95937  1    296.26803  1   161 160 144    0.14330
 H       1.12791  1    110.57479  1     54.51576  1   161 160 144    0.13640
 H       1.12282  1    107.74235  1    212.16159  1   160 144 143    0.09430
 H       1.12224  1    110.15220  1    328.37255  1   160 144 143    0.10360
 H       1.13509  1    105.06007  1    166.41421  1   144 143   3    0.10790
 H       1.00262  1     45.29689  1     75.72335  1   143   3   2    0.14300
 H       1.00174  1     94.50346  1    323.79518  1   143   3   2    0.15330
 N      13.04654  0    105.94724  0    247.79105  0     3   2   1   -0.33430
 C       1.46056  0     63.27013  0      7.06520  0   174   3   2   -0.10020
 C       1.52568  0    111.29303  0    196.21750  0   175 174   3    0.19370
 O       1.24426  0    120.37505  0    147.13265  0   176 175 174   -0.33200
 H       1.10951  1    117.89259  1    325.93243  1   176 175 174    0.10380
 C       1.54256  1    116.61132  1     74.01601  1   175 174   3   -0.14170
 C       1.48699  1    111.89604  1    278.75668  1   179 175 174   -0.09370
 C       1.39912  1    120.23457  1     78.58759  1   180 179 175   -0.13850
 C       1.39277  1    120.56556  1    177.44069  1   181 180 179   -0.12080
 C       1.39366  1    119.80673  1    359.88054  1   182 181 180   -0.13720
 C       1.39530  1    120.07113  1      0.50705  1   183 182 181   -0.15950
 C       1.39407  1    120.10640  1    359.68192  1   184 183 182   -0.13730
 H       1.10052  1    119.96495  1    181.46705  1   185 184 183    0.12670
 H       1.10265  1    119.62032  1    181.26448  1   184 183 182    0.14310
 H       1.10246  1    119.55576  1    181.82163  1   183 182 181    0.15050
 H       1.10300  1    119.82282  1    180.99357  1   182 181 180    0.16080
 H       1.10141  1    120.08846  1    358.44212  1   181 180 179    0.16270
 H       1.12338  1    109.75862  1     40.40278  1   179 175 174    0.10360
 H       1.12348  1    108.71718  1    157.73105  1   179 175 174    0.09720
 H       1.13439  1    106.79149  1    313.12839  1   175 174   3    0.12490
 H       1.00396  1     46.62054  1    177.03897  1   174   3   2    0.17110
 H       1.00400  1    130.27278  1    101.86048  1   174   3   2    0.15510
 N      13.97432  0     94.15818  0    232.02148  0     3   2   1   -0.33360
 C       1.46430  0     52.34679  0    324.34835  0   196   3   2   -0.10380
 C       1.53456  0    111.47344  0    135.31213  0   197 196   3    0.20050
 O       1.23123  0    117.86153  0    140.04507  0   198 197 196   -0.30750
 H       1.10727  1    118.09553  1    318.96991  1   198 197 196    0.11900
 C       1.53574  1    115.47104  1     12.69354  1   197 196   3   -0.16610
 C       1.48796  1    114.04204  1    301.18881  1   201 197 196   -0.07120
 C       1.39946  1    122.55767  1    329.28375  1   202 201 197   -0.15190
 C       1.39492  1    120.46096  1    180.81080  1   203 202 201   -0.12290
 C       1.39330  1    120.31045  1      0.41663  1   204 203 202   -0.12960
 C       1.39510  1    119.59514  1      0.12460  1   205 204 203   -0.12320
 C       1.39305  1    120.20144  1    359.59169  1   206 205 204   -0.13070
 H       1.10321  1    119.51267  1    180.08630  1   207 206 205    0.14130
 H       1.10246  1    119.94976  1    179.64443  1   206 205 204    0.15130
 H       1.10066  1    120.64615  1    180.42258  1   205 204 203    0.13550
 H       1.09966  1    119.70108  1    180.74215  1   204 203 202    0.12380
 H       1.09982  1    120.45242  1      0.80844  1   203 202 201    0.12850
 H       1.12650  1    108.75889  1     63.46560  1   201 197 196    0.11320
 H       1.12452  1    108.26524  1    180.07237  1   201 197 196    0.09900
 H       1.13135  1    106.66129  1    251.78825  1   197 196   3    0.11660
 H       1.00330  1     70.76963  1    189.78555  1   196   3   2    0.15690
 H       1.00449  1     89.70809  1     80.02477  1   196   3   2    0.15320
 N       8.60260  0    120.32027  0    196.08209  0     3   2   1   -0.32590
 C       1.47619  0     20.65117  0    143.41566  0   218   3   2   -0.11610
 C       1.52552  0    110.97429  0     90.17809  0   219 218   3    0.19770
 O       1.23450  0    120.01759  0    133.33311  0   220 219 218   -0.28660
 H       1.10907  1    117.25352  1    312.00540  1   220 219 218    0.09760
 C       1.54199  1    115.23386  1    326.81461  1   219 218   3   -0.13910
 C       1.48722  1    110.56843  1    220.37510  1   223 219 218   -0.11140
 C       1.40113  1    120.08893  1    284.69481  1   224 223 219   -0.12160
 C       1.39351  1    120.31471  1    179.53163  1   225 224 223   -0.11790
 C       1.39549  1    119.80784  1    359.26518  1   226 225 224   -0.12030
 C       1.39409  1    120.13875  1      0.00000  1   227 226 225   -0.13760
 C       1.39393  1    120.15778  1      0.81622  1   228 227 226   -0.14640
 H       1.09998  1    119.82048  1    179.94192  1   229 228 227    0.12600
 H       1.10244  1    119.34590  1    182.06473  1   228 227 226    0.13930
 H       1.10490  1    120.14363  1    179.48348  1   227 226 225    0.16410
 H       1.10331  1    120.38375  1    179.21774  1   226 225 224    0.16110
 H       1.10137  1    119.65447  1      0.58650  1   225 224 223    0.14050
 H       1.12305  1    110.07137  1    341.53799  1   223 219 218    0.08610
 H       1.12298  1    109.93128  1     99.06494  1   223 219 218    0.09340
 H       1.13434  1    106.07756  1    206.83907  1   219 218   3    0.14220
 H       1.00131  1    110.26005  1     53.41846  1   218   3   2    0.15020
 H       1.00147  1     90.64708  1    303.23572  1   218   3   2    0.13170
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32180
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11420
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21420
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31080
 H       1.10982  1    117.35644  1    309.72990  1   242 241 240    0.10230
 C       1.54636  1    114.43165  1    308.17927  1   241 240   3   -0.13140
 C       1.51439  1    110.53654  1    180.91784  1   245 241 240   -0.22150
 H       1.11812  1    110.82135  1     64.63362  1   246 245 241    0.11190
 H       1.11885  1    109.98404  1    184.92598  1   246 245 241    0.07390
 H       1.11807  1    110.91414  1    304.30735  1   246 245 241    0.08190
 C       1.51501  1    110.34489  1    302.51204  1   245 241 240   -0.22510
 H       1.11726  1    111.34331  1     70.06597  1   250 245 241    0.05030
 H       1.11796  1    110.05042  1    189.60381  1   250 245 241    0.08430
 H       1.11742  1    110.53777  1    309.08855  1   250 245 241    0.09480
 H       1.12916  1    108.38293  1     61.62671  1   245 241 240    0.09570
 H       1.13338  1    106.66819  1    189.14260  1   241 240   3    0.13990
 H       1.00186  1    121.64713  1     11.44008  1   240   3   2    0.14090
 H       1.00385  1     51.26749  1    282.45262  1   240   3   2    0.13600
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33470
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.09930
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19530
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.32820
 H       1.11278  1    116.41456  1     28.96340  1   260 259 258    0.09920
 C       1.53204  1    114.42429  1    323.15947  1   259 258   3   -0.20090
 C       1.52320  1    111.73481  1    280.90309  1   263 259 258   -0.10480
 C       1.51478  1    111.03354  1    154.67830  1   264 263 259   -0.21570
 H       1.11678  1    110.55332  1     63.93336  1   265 264 263    0.07040
 H       1.12098  1    109.51159  1    184.27142  1   265 264 263    0.11650
 H       1.11767  1    110.49309  1    303.55705  1   265 264 263    0.06350
 C       1.51582  1    111.00604  1    277.19306  1   264 263 259   -0.22340
 H       1.11645  1    110.68502  1     65.90827  1   269 264 263    0.05560
 H       1.11779  1    109.98717  1    186.07214  1   269 264 263    0.10110
 H       1.11888  1    110.80633  1    305.52384  1   269 264 263    0.08900
 H       1.12772  1    108.93534  1     36.72707  1   264 263 259    0.08380
 H       1.12377  1    109.76187  1     43.00729  1   263 259 258    0.09390
 H       1.12140  1    108.97940  1    160.18823  1   263 259 258    0.10930
 H       1.13649  1    106.67403  1    204.23764  1   259 258   3    0.12160
 H       1.00298  1    104.02454  1    292.58711  1   258   3   2    0.15780
 H       1.00391  1     29.49214  1    191.17209  1   258   3   2    0.15150
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33300
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.04040
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.27670
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.40540
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.31420
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.05210
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18570
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.27940
 H       1.11043  1    117.53742  1    334.44413  1   285 284 283    0.09750
 C       1.54133  1    107.56634  1    177.10639  1   284 283 281   -0.15990
 C       1.52399  1    106.41816  1      2.05193  1   288 284 283   -0.17380
 C       1.53792  1    106.70706  1      1.14834  1   289 288 284   -0.02390
 H       1.12626  1    108.71391  1    115.69123  1   290 289 288    0.06770
 H       1.12434  1    110.94216  1    235.16623  1   290 289 288    0.10380
 H       1.11785  1    110.96428  1    121.23261  1   289 288 284    0.08770
 H       1.11924  1    111.05953  1    241.19000  1   289 288 284    0.10770
 H       1.11822  1    110.86607  1    123.20277  1   288 284 283    0.09440
 H       1.12085  1    109.65494  1    242.12297  1   288 284 283    0.11810
 H       1.13318  1    108.88268  1     57.64400  1   284 283 281    0.15160
 C       1.53489  1    113.44215  1    341.07181  1   280 279   3   -0.08880
 C       1.47024  1    112.40591  1    310.86970  1   298 280 279   -0.14250
 C       1.39504  1    125.39719  1    118.89087  1   299 298 280   -0.08390
 N       1.39944  1    110.46150  1    181.87101  1   300 299 298   -0.21020
 C       1.40034  1    107.95822  1    356.53572  1   301 300 299   -0.00140
 C       1.44803  1    108.25541  1      3.25603  1   302 301 300   -0.05020
 C       1.39460  1    119.20454  1    178.65956  1   303 302 301   -0.06270
 C       1.38815  1    118.93679  1    359.64212  1   304 303 302   -0.16640
 C       1.40406  1    121.45610  1      0.13167  1   305 304 303   -0.12160
 C       1.38743  1    121.50914  1      0.13843  1   306 305 304   -0.16210
 H       1.09707  1    121.18891  1    179.46888  1   307 306 305    0.11960
 H       1.09966  1    119.10902  1    179.58292  1   306 305 304    0.11490
 H       1.09960  1    119.44764  1    179.52386  1   305 304 303    0.12670
 H       1.10105  1    120.43086  1    178.63808  1   304 303 302    0.15050
 H       0.98570  1    123.95783  1    197.95922  1   301 300 299    0.24040
 H       1.09627  1    129.55439  1      1.78275  1   300 299 298    0.18740
 H       1.12339  1    110.36938  1     73.54811  1   298 280 279    0.08400
 H       1.12536  1    107.49840  1    190.30314  1   298 280 279    0.12480
 H       1.13637  1    104.75827  1    224.21674  1   280 279   3    0.14360
 H       1.00032  1     52.09288  1    226.72647  1   279   3   2    0.14430
 H       0.99962  1    141.74813  1    154.07673  1   279   3   2    0.13910
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34130
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09430
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20730
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30660
 H       1.10831  1    116.32310  1    135.07761  1   321 320 319    0.09170
 C       1.54676  1    116.60426  1     51.18380  1   320 319   3   -0.13920
 C       1.52254  1    110.47003  1    296.03866  1   324 320 319   -0.16220
 C       1.50757  1    112.43910  1    169.18037  1   325 324 320   -0.21590
 H       1.11704  1    111.23046  1     64.61310  1   326 325 324    0.07920
 H       1.11890  1    110.01399  1    184.12314  1   326 325 324    0.08660
 H       1.11733  1    110.80060  1    303.96278  1   326 325 324    0.06890
 H       1.12406  1    109.24439  1    291.07364  1   325 324 320    0.09040
 H       1.12402  1    110.00585  1     48.60835  1   325 324 320    0.07900
 C       1.51509  1    109.38197  1    174.00060  1   324 320 319   -0.22130
 H       1.11776  1    110.65262  1     56.23781  1   332 324 320    0.08010
 H       1.11700  1    110.27533  1    175.93287  1   332 324 320    0.08800
 H       1.11739  1    110.72647  1    295.40567  1   332 324 320    0.07020
 H       1.12627  1    108.46850  1     55.18407  1   324 320 319    0.10730
 H       1.13362  1    105.94764  1    292.17172  1   320 319   3    0.10830
 H       1.00343  1     18.63619  1    319.50988  1   319   3   2    0.16480
 H       1.00320  1    108.53613  1    225.12101  1   319   3   2    0.15780
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.35160
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04720
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27130
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42580
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36020
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02430
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18660
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.32010
 H       1.11424  1    115.59441  1    318.67948  1   346 345 344    0.11950
 C       1.54135  1    110.19177  1    159.47743  1   345 344 342   -0.17400
 C       1.52029  1    113.39575  1    182.80138  1   349 345 344   -0.10380
 C       1.51421  1    111.30201  1     75.76391  1   350 349 345   -0.20840
 H       1.11687  1    110.64877  1     59.42762  1   351 350 349    0.07870
 H       1.11663  1    110.17803  1    179.29685  1   351 350 349    0.06210
 H       1.11666  1    110.46933  1    299.17174  1   351 350 349    0.07710
 C       1.51618  1    109.69874  1    197.96940  1   350 349 345   -0.21810
 H       1.11773  1    110.76702  1     56.42351  1   355 350 349    0.06950
 H       1.11736  1    109.95742  1    176.07192  1   355 350 349    0.06260
 H       1.11746  1    110.80978  1    296.18885  1   355 350 349    0.09880
 H       1.12774  1    109.03749  1    316.43306  1   350 349 345    0.09040
 H       1.12275  1    109.01966  1    304.31421  1   349 345 344    0.09890
 H       1.12373  1    108.73425  1     60.81527  1   349 345 344    0.09410
 H       1.13197  1    108.02502  1     40.01044  1   345 344 342    0.11400
 H       1.00475  1    122.44375  1     10.87254  1   344 342 341    0.29650
 C       1.52222  1    114.19816  1    321.59064  1   341 340   3   -0.21760
 H       1.12002  1    111.33055  1     52.75062  1   364 341 340    0.11330
 H       1.11644  1    109.46834  1    173.56255  1   364 341 340    0.07150
 H       1.11680  1    110.00314  1    292.98293  1   364 341 340    0.08360
 H       1.13249  1    106.29186  1    202.06977  1   341 340   3    0.09900
 H       1.00679  1     41.06471  1     98.42388  1   340   3   2    0.18310
 H       1.00257  1    114.60468  1      9.61654  1   340   3   2    0.15180
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34800
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06740
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.27560
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38680
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37100
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03680
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18770
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31630
 H       1.11347  1    115.20036  1     61.77118  1   377 376 375    0.10160
 C       1.53699  1    112.85253  1    149.34310  1   376 375 373   -0.12530
 C       1.48613  1    112.95077  1    307.62147  1   380 376 375   -0.09090
 C       1.39990  1    120.47602  1    289.77471  1   381 380 376   -0.11770
 C       1.39451  1    120.47319  1    179.17394  1   382 381 380   -0.12190
 C       1.39540  1    119.77197  1      0.81588  1   383 382 381   -0.12870
 C       1.39473  1    120.18170  1    359.40361  1   384 383 382   -0.13960
 C       1.39426  1    119.94335  1      0.00000  1   385 384 383   -0.13940
 H       1.10047  1    119.84700  1    181.61337  1   386 385 384    0.12020
 H       1.10269  1    120.24713  1    181.37059  1   385 384 383    0.13480
 H       1.09995  1    119.68805  1    180.60682  1   384 383 382    0.12310
 H       1.10876  1    119.80097  1    182.86342  1   383 382 381    0.18670
 H       1.10050  1    119.90543  1      0.77353  1   382 381 380    0.13580
 H       1.12319  1    109.05200  1     70.92539  1   380 376 375    0.09890
 H       1.12296  1    107.10985  1    186.62629  1   380 376 375    0.09320
 H       1.13542  1    107.68207  1     29.27862  1   376 375 373    0.13920
 H       0.99660  1    121.43028  1    354.96448  1   375 373 372    0.24560
 C       1.54251  1    111.13902  1    314.67654  1   372 371   3   -0.08570
 C       1.47081  1    111.37815  1    190.18234  1   396 372 371   -0.12410
 N       1.39796  1    124.53232  1     68.76098  1   397 396 372   -0.18460
 C       1.39511  1    106.63888  1    182.25420  1   398 397 396   -0.09870
 N       1.35396  1    111.41965  1    358.09563  1   399 398 397   -0.17260
 C       1.38827  1    105.99171  1      1.11902  1   400 399 398   -0.19320
 H       1.09032  1    121.69791  1    179.69904  1   401 400 399    0.17490
 H       1.09627  1    123.34212  1    178.61179  1   399 398 397    0.20510
 H       0.99757  1    124.60295  1    351.17528  1   398 397 396    0.29310
 H       1.12668  1    108.38815  1    311.43692  1   396 372 371    0.11640
 H       1.12251  1    110.77744  1     69.44931  1   396 372 371    0.08980
 H       1.14206  1    107.32496  1    196.89025  1   372 371   3    0.19920
 H       0.99946  1     77.05533  1    174.92537  1   371   3   2    0.15310
 H       0.99834  1    136.06498  1     69.15987  1   371   3   2    0.14980
 H       4.54581  1     99.95463  1    342.18086  1     3   2   1    0.21050
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.44180
 H       0.96628  1    103.68068  1    320.73066  1   411 410   3    0.22500

