


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.34830
 C       1.43541  0      0.00000  0      0.00000  0     1   0   0   -0.08800
 C       1.51361  0    105.85431  0      0.00000  0     2   1   0    0.17540
 O       1.21823  0    118.28448  0    316.65614  0     3   2   1   -0.28920
 H       1.10950  1    117.85066  1    136.47191  1     3   2   1    0.08240
 C       1.53936  1    108.81341  1     82.93134  1     2   3   4   -0.16310
 C       1.51158  1    112.95192  1     58.15194  1     6   2   3   -0.22150
 C       1.52838  1    113.65240  1     76.62612  1     7   6   2    0.32830
 O       1.26389  1    120.30355  1    296.70819  1     8   7   6   -0.56950
 O       1.27472  1    118.22651  1    117.56566  1     8   7   6   -0.63340
 H       1.12302  1    108.99900  1    197.35519  1     7   6   2    0.05840
 H       1.12076  1    110.39484  1    314.89519  1     7   6   2    0.06430
 H       1.12193  1    108.54156  1    179.54471  1     6   2   3    0.08270
 H       1.12433  1    108.73750  1    295.86833  1     6   2   3    0.08130
 H       1.13383  1    109.66558  1    199.36137  1     2   3   4    0.13770
 H       1.00434  1    109.71603  1    163.81141  1     1   2   3    0.14020
 H       1.01078  1    111.48843  1     45.96915  1     1   2   3    0.18540
 N       7.96014  0     75.09678  0    335.36568  0     3   2   1   -0.34620
 C       1.43306  0     42.93610  0    322.43062  0    18   3   2   -0.05530
 C       1.48866  0    114.42599  0    125.51033  0    19  18   3    0.33210
 O       1.22130  0    115.93694  0     35.03719  0    20  19  18   -0.44740
 N       1.33108  0    117.44794  0    215.43053  0    20  19  18   -0.36520
 C       1.45235  0    123.47707  0    179.52223  0    22  20  19   -0.02040
 C       1.53754  0    111.92080  0    301.14966  0    23  22  20    0.18280
 O       1.25976  0    125.74037  0    157.66496  0    24  23  22   -0.35460
 H       1.11401  1    115.30752  1    338.17468  1    24  23  22    0.09880
 C       1.54201  1    113.75479  1    178.36189  1    23  22  20   -0.07600
 C       1.46565  1    110.55526  1    268.56899  1    27  23  22   -0.20540
 C       1.39957  1    126.21677  1     81.94521  1    28  27  23   -0.00810
 N       1.39261  1    109.89105  1    181.30694  1    29  28  27   -0.20970
 C       1.39820  1    108.66513  1    359.04716  1    30  29  28   -0.01520
 C       1.44936  1    108.01296  1      1.17632  1    31  30  29   -0.06840
 C       1.39557  1    119.28128  1    179.01679  1    32  31  30   -0.10160
 C       1.38694  1    119.09288  1      0.16695  1    33  32  31   -0.17080
 C       1.40589  1    121.25979  1      0.48029  1    34  33  32   -0.14310
 C       1.38630  1    121.61007  1    359.51839  1    35  34  33   -0.12750
 H       1.10024  1    121.56486  1    177.94667  1    36  35  34    0.15190
 H       1.09937  1    119.14873  1    179.38288  1    35  34  33    0.11280
 H       1.09882  1    119.74237  1    180.27639  1    34  33  32    0.10370
 H       1.09916  1    119.86424  1    180.21883  1    33  32  31    0.12620
 H       0.98885  1    126.03003  1    180.97845  1    30  29  28    0.26370
 H       1.10456  1    128.15087  1    359.93728  1    29  28  27    0.23000
 H       1.12480  1    110.73248  1     30.88016  1    27  23  22    0.11570
 H       1.12390  1    108.24555  1    148.84797  1    27  23  22    0.08840
 H       1.13459  1    108.09638  1     57.69715  1    23  22  20    0.11800
 H       1.00742  1    122.37067  1    358.39651  1    22  20  19    0.29870
 C       1.53938  1    113.80775  1    348.42275  1    19  18   3   -0.20640
 C       1.53502  1    110.49799  1    205.74746  1    47  19  18    0.30850
 O       1.28254  1    118.75882  1    256.60720  1    48  47  19   -0.64640
 O       1.26228  1    122.54291  1     78.87683  1    48  47  19   -0.54060
 C       2.51584  0    114.68587  1    191.03126  1    50  48  47   -0.03870
 H       1.11769  1     60.62494  1    351.35575  1    51  50  48    0.17780
 H       1.11241  1     74.27745  1    226.04306  1    51  50  48    0.12450
Cl       1.82326  1    162.08100  1    318.79500  1    51  50  48   -0.30100
 C       1.50348  1     86.56866  1    111.48892  1    51  50  48   -0.17850
 H       1.12803  1    106.26843  1    359.37455  1    55  51  50    0.14720
 H       1.12132  1    110.83329  1    242.80011  1    55  51  50    0.07170
 C       1.51534  1    112.65006  1    119.57847  1    55  51  50   -0.16630
 H       1.12397  1    109.65342  1    326.84945  1    58  55  51    0.09050
 C       1.50511  1    111.76929  1    205.72293  1    58  55  51   -0.21490
 H       1.11734  1    110.74115  1    304.50770  1    60  58  55    0.06000
 H       1.11806  1    110.63245  1    184.23400  1    60  58  55    0.06020
 H       1.11880  1    110.46013  1     64.34411  1    60  58  55    0.08980
 H       1.12362  1    109.62249  1     84.00116  1    58  55  51    0.06340
 H       1.11964  1    109.76200  1    324.91188  1    47  19  18    0.12750
 H       1.11813  1    111.72324  1     83.76412  1    47  19  18    0.08660
 H       1.15955  1    107.92611  1    236.42327  1    19  18   3    0.07900
 H       1.00177  1    152.72270  1    332.21329  1    18   3   2    0.14870
 H       1.00229  1     87.70098  1    200.46242  1    18   3   2    0.16440
 N      11.18390  0     45.95169  0    335.35266  0     3   2   1   -0.33370
 C       1.48474  0    109.83433  0    318.64400  0    70   3   2   -0.09950
 C       1.54617  0    110.48582  0    112.74304  0    71  70   3    0.20160
 O       1.23698  0    121.33134  0    141.68350  0    72  71  70   -0.33040
 H       1.11013  1    116.34748  1    320.39537  1    72  71  70    0.10510
 C       1.52911  1    116.71273  1    349.98888  1    71  70   3   -0.15190
 C       1.48787  1    115.54438  1    282.25706  1    75  71  70   -0.06070
 C       1.39723  1    124.00763  1    358.65919  1    76  75  71   -0.13310
 C       1.39589  1    120.41828  1    180.77716  1    77  76  75   -0.13110
 C       1.39213  1    120.39646  1    359.85874  1    78  77  76   -0.13200
 C       1.39595  1    119.59331  1    359.54023  1    79  78  77   -0.12750
 C       1.39142  1    120.09637  1      0.64861  1    80  79  78   -0.13210
 H       1.10160  1    119.83076  1    180.69138  1    81  80  79    0.14550
 H       1.10175  1    120.00734  1    181.87522  1    80  79  78    0.13590
 H       1.10018  1    120.15753  1    180.61235  1    79  78  77    0.13110
 H       1.09978  1    119.68405  1    179.90550  1    78  77  76    0.12520
 H       1.09968  1    121.19886  1      1.62008  1    77  76  75    0.13250
 H       1.12590  1    109.38184  1     45.70474  1    75  71  70    0.11320
 H       1.12677  1    108.10484  1    161.95229  1    75  71  70    0.09420
 H       1.13004  1    106.34755  1    227.92171  1    71  70   3    0.11370
 H       1.00551  1     63.05123  1    216.88596  1    70   3   2    0.17840
 H       1.00446  1     47.09788  1     57.07553  1    70   3   2    0.15180
 N      16.98887  0     78.77108  0    276.65240  0     3   2   1   -0.32780
 C       1.47352  0     50.04108  0    198.47436  0    92   3   2   -0.09610
 C       1.54084  0    112.94709  0     70.56927  0    93  92   3    0.18510
 O       1.24033  0    121.30901  0    176.74567  0    94  93  92   -0.29820
 H       1.11101  1    117.33495  1    356.61459  1    94  93  92    0.09180
 C       1.54522  1    112.94544  1    309.18292  1    93  92   3   -0.15020
 C       1.49060  1    110.95975  1     53.08726  1    97  93  92   -0.06520
 C       1.40119  1    120.27813  1     83.78351  1    98  97  93   -0.13510
 C       1.39386  1    120.33022  1    181.07011  1    99  98  97   -0.11440
 C       1.39573  1    120.12749  1    359.62287  1   100  99  98   -0.14430
 C       1.39414  1    119.83056  1    359.78442  1   101 100  99   -0.12300
 C       1.39394  1    120.18442  1      0.41310  1   102 101 100   -0.14190
 H       1.09988  1    119.88469  1    181.88013  1   103 102 101    0.12240
 H       1.09932  1    119.89784  1    181.38490  1   102 101 100    0.12170
 H       1.09989  1    119.89813  1    180.88968  1   101 100  99    0.13480
 H       1.10177  1    119.97046  1    180.63575  1   100  99  98    0.14130
 H       1.10223  1    119.60216  1      1.93876  1    99  98  97    0.14190
 H       1.12412  1    109.42334  1    174.71288  1    97  93  92    0.13940
 H       1.12197  1    109.59445  1    291.29986  1    97  93  92    0.11030
 H       1.12737  1    107.03411  1    189.18986  1    93  92   3    0.13290
 H       1.00383  1     88.88012  1     81.69523  1    92   3   2    0.14570
 H       1.00283  1     73.61950  1    333.49620  1    92   3   2    0.13000
 N      17.89408  0     97.90475  0    267.28960  0     3   2   1   -0.29320
 C       1.43736  0    110.29372  0    222.59590  0   114   3   2   -0.11260
 C       1.49667  0    113.30282  0     44.24659  0   115 114   3    0.18340
 O       1.21152  0    117.76296  0    341.83825  0   116 115 114   -0.30580
 H       1.11001  1    117.52294  1    162.06390  1   116 115 114    0.11120
 C       1.55142  1    110.02532  1    279.62474  1   115 114   3   -0.17400
 C       1.52272  1    105.36189  1    359.45990  1   119 115 114   -0.17360
 C       1.53714  1    105.90908  1    355.86210  1   120 119 115   -0.09070
 H       1.12265  1    110.79298  1    130.89454  1   121 120 119    0.08560
 H       1.12439  1    110.15220  1    249.96819  1   121 120 119    0.07110
 H       1.11801  1    110.70939  1    115.93994  1   120 119 115    0.10970
 H       1.11625  1    111.18784  1    235.61842  1   120 119 115    0.07720
 H       1.12269  1    112.39955  1    120.86814  1   119 115 114    0.16060
 H       1.11658  1    109.72401  1    239.74399  1   119 115 114    0.08840
 H       1.13344  1    106.63482  1    162.34676  1   115 114   3    0.09290
 H       1.00619  1     33.57283  1    321.88802  1   114   3   2    0.16860
 N      17.12834  0    109.64320  0    254.84939  0     3   2   1   -0.35320
 C       1.45843  0     53.82819  0    185.26230  0   130   3   2   -0.06690
 C       1.54573  0    115.39702  0    325.30114  0   131 130   3    0.17940
 O       1.21650  0    121.78862  0    193.10814  0   132 131 130   -0.30850
 H       1.11459  1    116.17754  1     14.14500  1   132 131 130    0.07770
 C       1.53334  1    113.37136  1    196.43160  1   131 130   3   -0.22540
 C       1.53534  1    116.88684  1     34.88788  1   135 131 130    0.33340
 O       1.26972  1    120.19352  1     26.91783  1   136 135 131   -0.60990
 O       1.26465  1    117.13118  1    206.81013  1   136 135 131   -0.57950
 H       1.12044  1    108.89812  1    156.60818  1   135 131 130    0.10090
 H       1.12019  1    108.22019  1    273.55732  1   135 131 130    0.07280
 H       1.13616  1    105.56335  1     78.77920  1   131 130   3    0.07810
 H       1.00622  1    135.02728  1    101.90665  1   130   3   2    0.18300
 H       1.00374  1     56.52392  1     18.95229  1   130   3   2    0.12040
 N      12.50007  0     97.91996  0    261.63373  0     3   2   1   -0.33680
 C       1.44534  0     57.31406  0    322.50817  0   144   3   2   -0.08390
 C       1.53835  0    116.53274  0    230.26398  0   145 144   3    0.19610
 O       1.24316  0    120.46732  0    146.99107  0   146 145 144   -0.31220
 H       1.10870  1    117.21533  1    325.55288  1   146 145 144    0.10010
 C       1.55259  1    113.31999  1    106.64337  1   145 144   3   -0.16760
 C       1.48636  1    113.86080  1    182.64802  1   149 145 144   -0.07140
 C       1.40072  1    120.56695  1     68.68299  1   150 149 145   -0.11990
 C       1.39400  1    120.38955  1    179.07638  1   151 150 149   -0.12090
 C       1.39505  1    120.17854  1      0.16333  1   152 151 150   -0.14670
 C       1.39459  1    119.72973  1    359.33932  1   153 152 151   -0.13620
 C       1.39363  1    120.19350  1      0.32910  1   154 153 152   -0.13080
 H       1.09977  1    119.85853  1    180.26768  1   155 154 153    0.12100
 H       1.09908  1    119.92165  1    180.53228  1   154 153 152    0.11730
 H       1.10189  1    119.93332  1    179.61658  1   153 152 151    0.13720
 H       1.10228  1    119.57666  1    180.91038  1   152 151 150    0.14370
 H       1.10277  1    119.95315  1    358.92237  1   151 150 149    0.15210
 H       1.12582  1    107.89246  1    303.12386  1   149 145 144    0.10370
 H       1.12400  1    109.10011  1     59.03313  1   149 145 144    0.10310
 H       1.13610  1    106.19717  1    349.28565  1   145 144   3    0.12440
 H       1.00159  1     76.17256  1     88.08980  1   144   3   2    0.17500
 H       1.00193  1    168.51402  1    327.73989  1   144   3   2    0.15110
 N      10.94337  0    106.51163  0    240.89105  0     3   2   1   -0.33750
 C       1.46213  0     14.86456  0    265.09140  0   166   3   2   -0.08840
 C       1.54890  0    109.51012  0    131.27165  0   167 166   3    0.21280
 O       1.23101  0    125.00583  0    126.76891  0   168 167 166   -0.33240
 H       1.11460  1    113.73220  1    305.04952  1   168 167 166    0.09570
 C       1.54518  1    111.43165  1     11.66001  1   167 166   3   -0.12760
 C       1.46432  1    117.97332  1    174.60505  1   171 167 166   -0.18350
 C       1.39839  1    127.28615  1    282.64731  1   172 171 167   -0.08440
 N       1.39432  1    110.49251  1    189.19140  1   173 172 171   -0.19640
 C       1.39996  1    108.02780  1      3.38522  1   174 173 172   -0.00890
 C       1.44264  1    108.27584  1    356.52358  1   175 174 173   -0.08410
 C       1.39740  1    119.17784  1    180.01175  1   176 175 174   -0.10390
 C       1.38626  1    118.90453  1    359.26499  1   177 176 175   -0.13650
 C       1.40767  1    121.45242  1      0.22817  1   178 177 176   -0.10780
 C       1.38506  1    121.54201  1      0.43813  1   179 178 177   -0.14370
 H       1.10218  1    120.71588  1    180.96257  1   180 179 178    0.16110
 H       1.10558  1    119.97582  1    182.30595  1   179 178 177    0.15570
 H       1.10046  1    119.62971  1    181.64924  1   178 177 176    0.13240
 H       1.09998  1    120.31687  1    180.17682  1   177 176 175    0.13600
 H       0.99063  1    124.88936  1    163.69723  1   174 173 172    0.26300
 H       1.09167  1    129.03788  1     10.54757  1   173 172 171    0.14930
 H       1.12749  1    107.38687  1    296.85406  1   171 167 166    0.11000
 H       1.12952  1    107.99817  1     51.96862  1   171 167 166    0.09100
 H       1.12541  1    108.59181  1    250.59161  1   167 166   3    0.11530
 H       1.00287  1     99.58672  1    133.94523  1   166   3   2    0.16020
 H       1.00423  1    103.69828  1     21.83406  1   166   3   2    0.14740
 N      10.01719  0    101.54687  0    205.40459  0     3   2   1   -0.32890
 C       1.44716  0     60.44593  0    312.77637  0   192   3   2   -0.06300
 C       1.51484  0    114.54894  0    162.40538  0   193 192   3    0.31940
 O       1.23614  0    116.70478  0    115.46584  0   194 193 192   -0.38830
 N       1.35879  0    120.55811  0    294.85307  0   194 193 192   -0.37140
 C       1.46169  0    117.94215  0    183.10701  0   196 194 193   -0.04450
 C       1.50738  0    120.92050  0    281.62350  0   197 196 194    0.19690
 O       1.23358  0    117.93172  0    174.66855  0   198 197 196   -0.31730
 H       1.10888  1    119.03400  1    356.30501  1   198 197 196    0.10490
 C       1.55394  1    111.16939  1    154.38426  1   197 196 194   -0.11090
 C       1.51211  1    111.38945  1    299.49485  1   201 197 196   -0.21050
 H       1.11726  1    111.51727  1     69.75989  1   202 201 197    0.08180
 H       1.11727  1    109.77725  1    189.43597  1   202 201 197    0.07440
 H       1.11683  1    110.58770  1    309.19990  1   202 201 197    0.08670
 C       1.51239  1    112.00112  1     64.38699  1   201 197 196   -0.21330
 H       1.11717  1    110.39285  1     49.89664  1   206 201 197    0.06880
 H       1.11723  1    109.81262  1    169.38999  1   206 201 197    0.07780
 H       1.11667  1    111.66434  1    288.97539  1   206 201 197    0.07850
 H       1.12930  1    105.73220  1    182.27163  1   201 197 196    0.10810
 H       1.14250  1    105.41908  1     39.02690  1   197 196 194    0.14130
 H       0.98830  1    122.49028  1      3.82454  1   196 194 193    0.24440
 C       1.54193  1    116.67537  1     34.36495  1   193 192   3   -0.19920
 C       1.52257  1    112.37699  1    269.19518  1   213 193 192   -0.10140
 C       1.51627  1    109.84411  1    168.91658  1   214 213 193   -0.23250
 H       1.12148  1    111.37621  1     72.71735  1   215 214 213    0.12220
 H       1.11754  1    110.23766  1    192.00293  1   215 214 213    0.08550
 H       1.11643  1    110.21006  1    311.30473  1   215 214 213    0.06780
 C       1.51516  1    112.19798  1    290.52629  1   214 213 193   -0.20900
 H       1.11588  1    111.58630  1     64.68864  1   219 214 213    0.05350
 H       1.11733  1    109.64884  1    184.77279  1   219 214 213    0.08410
 H       1.11716  1    110.42150  1    303.71624  1   219 214 213    0.08940
 H       1.12892  1    108.12447  1     50.75476  1   214 213 193    0.07940
 H       1.12319  1    109.75226  1     30.78706  1   213 193 192    0.09110
 H       1.12201  1    109.86570  1    148.54068  1   213 193 192    0.09420
 H       1.13990  1    105.09351  1    275.78666  1   193 192   3    0.13170
 H       1.00505  1     57.35465  1    169.27121  1   192   3   2    0.16120
 H       1.00486  1     96.60143  1     62.95442  1   192   3   2    0.14430
 N      11.18833  0    145.22708  0    179.37926  0     3   2   1   -0.32790
 C       1.47538  0     38.91567  0     92.42374  0   229   3   2   -0.11030
 C       1.53156  0    110.85889  0     76.62987  0   230 229   3    0.20700
 O       1.23608  0    120.93801  0    131.97322  0   231 230 229   -0.28200
 H       1.10920  1    116.55103  1    310.84626  1   231 230 229    0.09070
 C       1.54264  1    112.32371  1    314.18886  1   230 229   3   -0.14160
 C       1.48426  1    114.70379  1    191.45279  1   234 230 229   -0.10330
 C       1.39940  1    120.77500  1    252.74303  1   235 234 230   -0.12260
 C       1.39523  1    120.28465  1    184.62655  1   236 235 234   -0.11450
 C       1.39593  1    120.09065  1    359.91145  1   237 236 235   -0.11240
 C       1.39589  1    119.79985  1    359.33033  1   238 237 236   -0.15260
 C       1.39356  1    120.17476  1      0.92054  1   239 238 237   -0.11900
 H       1.09962  1    119.97943  1    179.69798  1   240 239 238    0.12060
 H       1.10089  1    119.69547  1    180.20274  1   239 238 237    0.13720
 H       1.10339  1    120.03028  1    179.02090  1   238 237 236    0.16780
 H       1.10212  1    120.15645  1    179.10093  1   237 236 235    0.16120
 H       1.10016  1    120.06852  1      3.69508  1   236 235 234    0.12860
 H       1.12707  1    108.17912  1    312.40990  1   234 230 229    0.08320
 H       1.12263  1    109.22140  1     67.98709  1   234 230 229    0.08340
 H       1.12971  1    107.53057  1    194.60693  1   230 229   3    0.13690
 H       1.00115  1    118.18617  1      6.99947  1   229   3   2    0.14380
 H       1.00158  1     71.11648  1    265.60139  1   229   3   2    0.13210
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32190
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11500
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19450
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.29890
 H       1.11128  1    116.74552  1    347.72444  1   253 252 251    0.07930
 C       1.53862  1    116.02316  1    338.57507  1   252 251   3   -0.10290
 C       1.46877  1    109.53750  1    290.62905  1   256 252 251   -0.16990
 C       1.39051  1    127.11637  1    110.66947  1   257 256 252   -0.06550
 N       1.40272  1    110.61822  1    184.19457  1   258 257 256   -0.20670
 C       1.40659  1    107.58181  1    355.75228  1   259 258 257   -0.02230
 C       1.44443  1    108.30035  1      3.89779  1   260 259 258   -0.07480
 C       1.39462  1    119.42808  1    177.93278  1   261 260 259   -0.09350
 C       1.38776  1    119.00393  1    359.51100  1   262 261 260   -0.14820
 C       1.40585  1    121.30978  1    359.94035  1   263 262 261   -0.10060
 C       1.38841  1    121.41669  1      0.35513  1   264 263 262   -0.16350
 H       1.09824  1    121.16804  1    179.58677  1   265 264 263    0.12990
 H       1.10410  1    118.55507  1    180.12748  1   264 263 262    0.16000
 H       1.10082  1    119.91287  1    179.30564  1   263 262 261    0.14480
 H       1.10014  1    120.11455  1    178.70168  1   262 261 260    0.13830
 H       0.98988  1    122.46548  1    203.95929  1   259 258 257    0.23720
 H       1.09436  1    129.19141  1      1.97885  1   258 257 256    0.16700
 H       1.12165  1    110.43873  1     52.81432  1   256 252 251    0.08240
 H       1.12471  1    108.53387  1    170.96543  1   256 252 251    0.11690
 H       1.14121  1    105.26782  1    221.93695  1   252 251   3    0.13290
 H       1.00469  1     89.65532  1    321.23649  1   251   3   2    0.16580
 H       1.00399  1     60.77406  1    210.97672  1   251   3   2    0.12950
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34470
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04220
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.32980
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41760
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.30990
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.03090
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19230
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.32590
 H       1.11015  1    116.79159  1    314.80587  1   283 282 281    0.09520
 C       1.54481  1    107.33763  1    183.44796  1   282 281 279   -0.15770
 C       1.52563  1    105.65821  1    351.11569  1   286 282 281   -0.16610
 C       1.53902  1    106.36443  1     13.33575  1   287 286 282   -0.05100
 H       1.12522  1    109.79161  1    105.86308  1   288 287 286    0.06970
 H       1.13278  1    110.98715  1    226.43514  1   288 287 286    0.19120
 H       1.11683  1    111.54144  1    133.84286  1   287 286 282    0.07690
 H       1.11988  1    110.83351  1    254.07666  1   287 286 282    0.11430
 H       1.11761  1    110.62824  1    111.40309  1   286 282 281    0.07220
 H       1.11728  1    109.78437  1    230.62526  1   286 282 281    0.10500
 H       1.13148  1    109.80843  1     63.19871  1   282 281 279    0.13310
 C       1.54675  1    115.02840  1    334.02652  1   278 277   3   -0.18850
 C       1.48940  1    110.95730  1    304.81423  1   296 278 277   -0.07600
 C       1.40076  1    120.65467  1    300.06821  1   297 296 278   -0.13900
 C       1.39346  1    120.30149  1    180.12005  1   298 297 296   -0.15100
 C       1.39438  1    120.10223  1      0.42679  1   299 298 297   -0.16090
 C       1.39432  1    119.80642  1      0.22521  1   300 299 298   -0.12970
 C       1.39516  1    120.40620  1    359.44813  1   301 300 299   -0.10250
 H       1.11385  1    120.07856  1    178.50777  1   302 301 300    0.21860
 H       1.09966  1    120.31556  1    178.58213  1   301 300 299    0.12870
 H       1.09843  1    119.98235  1    179.55442  1   300 299 298    0.10400
 H       1.09863  1    119.76698  1    179.65436  1   299 298 297    0.10760
 H       1.10030  1    119.78442  1    358.95307  1   298 297 296    0.13220
 H       1.12969  1    110.22978  1     66.47120  1   296 278 277    0.15940
 H       1.12161  1    108.55430  1    184.55305  1   296 278 277    0.11440
 H       1.14003  1    106.35353  1    216.09632  1   278 277   3    0.11830
 H       1.00455  1    101.06611  1    304.57701  1   277   3   2    0.15350
 H       1.00572  1     58.74620  1    200.01083  1   277   3   2    0.15570
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.34110
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09450
 C       1.53380  0    108.58586  0    148.98325  0   314 313   3    0.20190
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.31520
 H       1.11510  1    115.04738  1    317.45947  1   315 314 313    0.08350
 C       1.54291  1    116.49139  1     25.78389  1   314 313   3   -0.13330
 C       1.51443  1    110.15176  1    188.96991  1   318 314 313   -0.21360
 H       1.11761  1    110.39046  1     67.14139  1   319 318 314    0.07330
 H       1.11759  1    109.98098  1    186.43106  1   319 318 314    0.08470
 H       1.11688  1    110.83687  1    306.92917  1   319 318 314    0.07580
 C       1.51507  1    111.08559  1    310.87380  1   318 314 313   -0.22670
 H       1.11966  1    110.99956  1     71.74042  1   323 318 314    0.08510
 H       1.11964  1    110.08309  1    191.02751  1   323 318 314    0.10020
 H       1.11757  1    110.74796  1    311.02017  1   323 318 314    0.07680
 H       1.12804  1    108.35190  1     69.64015  1   318 314 313    0.10000
 H       1.13070  1    106.27820  1    265.82537  1   314 313   3    0.12050
 H       1.00364  1     21.77968  1    348.32664  1   313   3   2    0.17290
 H       1.00158  1    100.15803  1    233.95782  1   313   3   2    0.14540
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.33450
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.08170
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.15930
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33830
 H       1.10995  1    115.30566  1    133.09296  1   333 332 331    0.12030
 C       1.52832  1    110.76193  1     57.73731  1   332 331   3   -0.21500
 C       1.51297  1    115.97721  1    186.22943  1   336 332 331    0.31220
 O       1.26700  1    122.58119  1     19.90769  1   337 336 332   -0.59050
 O       1.27245  1    116.64015  1    198.64446  1   337 336 332   -0.58910
 H       1.12444  1    108.70785  1    305.38273  1   336 332 331    0.11190
 H       1.12195  1    109.73032  1     63.51070  1   336 332 331    0.08430
 H       1.12949  1    108.30902  1    298.42589  1   332 331   3    0.14430
 H       1.00209  1     99.14376  1     59.02295  1   331   3   2    0.13390
 H       1.00192  1    145.47109  1    278.58018  1   331   3   2    0.12790
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36490
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02750
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.28150
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.42320
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36640
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04180
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19550
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29720
 H       1.10279  1    120.66928  1     53.70737  1   351 350 349    0.10910
 C       1.54778  1    110.26553  1    113.22047  1   350 349 347   -0.15750
 C       1.51922  1    113.89932  1    295.38403  1   354 350 349   -0.10910
 C       1.51682  1    109.29811  1    171.23058  1   355 354 350   -0.21030
 H       1.11650  1    110.56728  1     61.51654  1   356 355 354    0.05950
 H       1.11786  1    110.35454  1    181.44452  1   356 355 354    0.07090
 H       1.11731  1    110.42013  1    301.29230  1   356 355 354    0.08800
 C       1.51434  1    111.61001  1    293.31237  1   355 354 350   -0.21120
 H       1.11814  1    110.43471  1     67.17715  1   360 355 354    0.08650
 H       1.11830  1    110.41683  1    186.35606  1   360 355 354    0.06640
 H       1.11652  1    110.71443  1    306.46818  1   360 355 354    0.05040
 H       1.12774  1    109.47421  1     53.09274  1   355 354 350    0.09750
 H       1.12345  1    108.39076  1     58.37460  1   354 350 349    0.12590
 H       1.12211  1    108.60378  1    175.05219  1   354 350 349    0.08280
 H       1.14050  1    106.31745  1    357.61368  1   350 349 347    0.10580
 H       1.00314  1    121.44655  1    358.74331  1   349 347 346    0.28610
 C       1.53832  1    113.79320  1    354.14201  1   346 345   3   -0.17940
 C       1.52222  1    113.62914  1    302.38703  1   369 346 345   -0.09830
 C       1.51841  1    112.63878  1     85.73948  1   370 369 346   -0.21720
 H       1.11948  1    111.53916  1     27.53008  1   371 370 369    0.10920
 H       1.11865  1    110.35631  1    148.05773  1   371 370 369    0.06640
 H       1.11667  1    110.71127  1    267.23806  1   371 370 369    0.08410
 C       1.51608  1    109.39631  1    208.47963  1   370 369 346   -0.21070
 H       1.11793  1    110.35790  1     55.52244  1   375 370 369    0.05270
 H       1.11850  1    110.54236  1    175.67117  1   375 370 369    0.06790
 H       1.11719  1    110.37401  1    295.30619  1   375 370 369    0.09440
 H       1.12404  1    108.27641  1    326.25842  1   370 369 346    0.07390
 H       1.12349  1    110.24765  1     63.98527  1   369 346 345    0.10740
 H       1.12310  1    107.26116  1    180.68096  1   369 346 345    0.08380
 H       1.13153  1    106.69108  1    234.20051  1   346 345   3    0.10560
 H       1.00617  1     42.38574  1    159.46064  1   345   3   2    0.20040
 H       1.00083  1    135.29278  1     94.81348  1   345   3   2    0.13820
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34700
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.06190
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27530
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.35900
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.36320
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04660
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.18130
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31650
 H       1.10946  1    115.95277  1     81.65550  1   391 390 389    0.10780
 C       1.53119  1    114.06302  1    146.36159  1   390 389 387   -0.13170
 C       1.48673  1    113.49727  1    304.11657  1   394 390 389   -0.09350
 C       1.40064  1    121.19710  1    308.23981  1   395 394 390   -0.12880
 C       1.39457  1    120.52998  1    180.62746  1   396 395 394   -0.10370
 C       1.39594  1    119.79090  1      0.52185  1   397 396 395   -0.11900
 C       1.39422  1    120.00031  1    359.83943  1   398 397 396   -0.15250
 C       1.39379  1    120.18815  1    359.84673  1   399 398 397   -0.14840
 H       1.09946  1    119.85640  1    180.79494  1   400 399 398    0.11720
 H       1.09963  1    120.03100  1    180.95020  1   399 398 397    0.11590
 H       1.10055  1    119.59028  1    180.99855  1   398 397 396    0.14350
 H       1.11092  1    120.47259  1    181.77299  1   397 396 395    0.20240
 H       1.10096  1    120.14187  1      1.73238  1   396 395 394    0.13910
 H       1.12372  1    109.10537  1     67.73916  1   394 390 389    0.09920
 H       1.12386  1    107.14356  1    183.41188  1   394 390 389    0.09450
 H       1.13505  1    107.51456  1     25.59662  1   390 389 387    0.13750
 H       0.99659  1    121.61732  1    346.42676  1   389 387 386    0.23480
 C       1.53801  1    112.43462  1    312.70689  1   386 385   3   -0.07720
 C       1.47285  1    108.62420  1    187.19766  1   410 386 385   -0.15160
 N       1.39751  1    124.00349  1     93.30495  1   411 410 386   -0.16260
 C       1.39241  1    106.55547  1    189.36930  1   412 411 410   -0.08480
 N       1.35510  1    111.66031  1    358.30381  1   413 412 411   -0.15300
 C       1.38666  1    105.71349  1      0.11463  1   414 413 412   -0.17960
 H       1.08882  1    121.89043  1    181.34009  1   415 414 413    0.15840
 H       1.09355  1    122.91960  1    180.90327  1   413 412 411    0.18550
 H       1.00058  1    124.44086  1    355.68631  1   412 411 410    0.30060
 H       1.12873  1    108.28079  1    307.43520  1   410 386 385    0.14670
 H       1.12067  1    110.73396  1     66.36848  1   410 386 385    0.07660
 H       1.13417  1    106.27065  1    194.99275  1   386 385   3    0.16610
 H       0.99884  1     71.01730  1    197.99328  1   385   3   2    0.14060
 H       0.99778  1    122.22472  1     95.55307  1   385   3   2    0.13860
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.43000
 H       0.96555  1     63.31745  1    307.65784  1   424   3   2    0.22100
 H       0.96302  1    165.21772  1    289.25284  1   424   3   2    0.20510

