


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.35110
 C       1.43541  0      0.00000  0      0.00000  0     1   0   0   -0.10110
 C       1.51361  0    105.85431  0      0.00000  0     2   1   0    0.18420
 O       1.21823  0    118.28448  0    316.65614  0     3   2   1   -0.30330
 H       1.10912  1    117.73681  1    136.73492  1     3   2   1    0.09220
 C       1.53470  1    111.46107  1     84.81497  1     2   3   4   -0.15350
 C       1.51140  1    112.83183  1     56.58047  1     6   2   3   -0.23240
 C       1.52930  1    113.01743  1     77.51790  1     7   6   2    0.32650
 O       1.26551  1    120.04935  1    296.93682  1     8   7   6   -0.58150
 O       1.27331  1    118.25095  1    117.25493  1     8   7   6   -0.62040
 H       1.12241  1    108.90305  1    197.95484  1     7   6   2    0.08650
 H       1.12049  1    110.52305  1    315.82123  1     7   6   2    0.06470
 H       1.12410  1    108.23841  1    176.87004  1     6   2   3    0.08530
 H       1.12313  1    109.49583  1    292.83028  1     6   2   3    0.08050
 H       1.13803  1    108.48129  1    200.85459  1     2   3   4    0.14560
 H       1.00435  1    109.72584  1    160.50199  1     1   2   3    0.13290
 H       1.00942  1    111.23033  1     42.02832  1     1   2   3    0.16920
 N       7.96014  0     75.09678  0    335.36568  0     3   2   1   -0.34950
 C       1.43306  0     42.93610  0    322.43062  0    18   3   2   -0.06720
 C       1.48866  0    114.42599  0    125.51033  0    19  18   3    0.33170
 O       1.22130  0    115.93694  0     35.03719  0    20  19  18   -0.41370
 N       1.33108  0    117.44794  0    215.43053  0    20  19  18   -0.35940
 C       1.45235  0    123.47707  0    179.52223  0    22  20  19   -0.02860
 C       1.53754  0    111.92080  0    301.14966  0    23  22  20    0.18320
 O       1.25976  0    125.74037  0    157.66496  0    24  23  22   -0.33940
 H       1.11385  1    115.32886  1    337.73440  1    24  23  22    0.09330
 C       1.54443  1    112.22239  1    178.67093  1    23  22  20   -0.06670
 C       1.46232  1    109.77841  1    276.14870  1    27  23  22   -0.24520
 C       1.40475  1    128.10411  1     92.16551  1    28  27  23   -0.02850
 N       1.38448  1    110.66661  1    182.34332  1    29  28  27   -0.19090
 C       1.39770  1    107.86705  1    359.20784  1    30  29  28   -0.01720
 C       1.45128  1    108.53122  1      0.98191  1    31  30  29   -0.07700
 C       1.39664  1    120.00117  1    179.49928  1    32  31  30   -0.12400
 C       1.38504  1    119.06522  1      0.83032  1    33  32  31   -0.16870
 C       1.40676  1    120.93862  1      0.81721  1    34  33  32   -0.14990
 C       1.38459  1    121.63402  1    359.03579  1    35  34  33   -0.11220
 H       1.09854  1    121.48069  1    176.76994  1    36  35  34    0.16240
 H       1.09961  1    119.20651  1    178.57334  1    35  34  33    0.11870
 H       1.09861  1    119.94602  1    180.19512  1    34  33  32    0.10130
 H       1.09892  1    119.81453  1    180.53794  1    33  32  31    0.11760
 H       1.03286  1    123.45057  1    172.80167  1    30  29  28    0.32880
 H       1.09868  1    128.99981  1      3.19002  1    29  28  27    0.19850
 H       1.12303  1    110.93561  1     39.21774  1    27  23  22    0.09920
 H       1.12431  1    107.61069  1    156.86410  1    27  23  22    0.09550
 H       1.13490  1    108.31750  1     58.71753  1    23  22  20    0.13570
 H       0.99877  1    122.11645  1    359.94207  1    22  20  19    0.26480
 C       1.53437  1    113.21717  1    345.42400  1    19  18   3   -0.16270
 C       1.51032  1    109.08818  1    203.95728  1    47  19  18    0.30730
 O       1.24169  1    124.17823  1    241.30247  1    48  47  19   -0.42390
 O       1.34451  1    117.44747  1     58.98875  1    48  47  19   -0.28540
 C       1.56584  0    114.57756  1    190.71279  1    50  48  47    0.01800
 H       1.11516  1    107.94354  1     28.08528  1    51  50  48    0.13290
 H       1.11283  1    104.47383  1    269.77612  1    51  50  48    0.12570
Cl       3.17932  1    159.33350  1    341.20592  1    51  50  48   -0.84780
 C       1.50625  1    104.10614  1    149.05541  1    51  50  48   -0.16010
 H       1.12473  1    110.01229  1    351.37320  1    55  51  50    0.08870
 H       1.12394  1    108.87787  1    234.08208  1    55  51  50    0.09250
 C       1.51388  1    111.69542  1    113.57526  1    55  51  50   -0.17430
 H       1.12295  1    109.68963  1    303.43136  1    58  55  51    0.09040
 C       1.50580  1    111.11030  1    181.74856  1    58  55  51   -0.21290
 H       1.11835  1    110.33719  1    300.16452  1    60  58  55    0.06380
 H       1.11789  1    110.44034  1    180.24664  1    60  58  55    0.06790
 H       1.11883  1    110.95953  1     60.24368  1    60  58  55    0.06960
 H       1.12474  1    108.98135  1     60.46814  1    58  55  51    0.10740
 H       1.12427  1    110.06453  1    322.97078  1    47  19  18    0.15530
 H       1.11973  1    112.87741  1     83.12603  1    47  19  18    0.12690
 H       1.16423  1    106.93449  1    234.31222  1    19  18   3    0.08720
 H       1.00232  1    150.63418  1    352.37272  1    18   3   2    0.16770
 H       1.00187  1     93.67233  1    206.67115  1    18   3   2    0.16720
 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   -0.09940
 C       1.54617  0    110.48582  0    112.74304  0    71  70   3    0.19990
 O       1.23698  0    121.33134  0    141.68350  0    72  71  70   -0.32620
 H       1.11010  1    116.35688  1    320.09088  1    72  71  70    0.10340
 C       1.53008  1    116.65874  1    351.57632  1    71  70   3   -0.15230
 C       1.48734  1    115.85959  1    288.72137  1    75  71  70   -0.07420
 C       1.39688  1    124.03030  1    351.78913  1    76  75  71   -0.14090
 C       1.39645  1    120.31309  1    180.10959  1    77  76  75   -0.13320
 C       1.39243  1    120.41102  1      0.65211  1    78  77  76   -0.13640
 C       1.39647  1    119.62504  1      0.26195  1    79  78  77   -0.12440
 C       1.39126  1    120.09427  1    358.93606  1    80  79  78   -0.12490
 H       1.10457  1    119.74737  1    182.10049  1    81  80  79    0.15670
 H       1.10272  1    120.13548  1    179.61576  1    80  79  78    0.14710
 H       1.10152  1    120.47000  1    181.61458  1    79  78  77    0.13610
 H       1.09975  1    119.71132  1    181.45158  1    78  77  76    0.12440
 H       1.09944  1    121.02006  1      0.78419  1    77  76  75    0.12830
 H       1.12675  1    109.22356  1     52.14577  1    75  71  70    0.10750
 H       1.12644  1    107.88239  1    167.97034  1    75  71  70    0.09820
 H       1.12859  1    106.57711  1    229.13387  1    71  70   3    0.11660
 H       1.00525  1     61.13550  1    217.55031  1    70   3   2    0.17480
 H       1.00417  1     49.03520  1     57.43168  1    70   3   2    0.14760
 N      16.98887  0     78.77108  0    276.65240  0     3   2   1   -0.33020
 C       1.47352  0     50.04108  0    198.47436  0    92   3   2   -0.10230
 C       1.54084  0    112.94709  0     70.56927  0    93  92   3    0.19530
 O       1.24033  0    121.30901  0    176.74567  0    94  93  92   -0.29970
 H       1.10989  1    116.97319  1    356.74124  1    94  93  92    0.10150
 C       1.54750  1    112.53883  1    309.40257  1    93  92   3   -0.15510
 C       1.49027  1    110.40873  1     48.29416  1    97  93  92   -0.06370
 C       1.40011  1    120.48138  1     86.98346  1    98  97  93   -0.13530
 C       1.39392  1    120.31663  1    182.72995  1    99  98  97   -0.11640
 C       1.39480  1    120.18606  1    359.44936  1   100  99  98   -0.13310
 C       1.39454  1    119.79555  1    359.79311  1   101 100  99   -0.13630
 C       1.39373  1    120.12415  1      0.48157  1   102 101 100   -0.14250
 H       1.09965  1    119.95406  1    181.18791  1   103 102 101    0.12020
 H       1.09919  1    119.96450  1    181.06013  1   102 101 100    0.12030
 H       1.09954  1    119.96887  1    180.37037  1   101 100  99    0.13240
 H       1.10216  1    119.68320  1    180.19042  1   100  99  98    0.14370
 H       1.10233  1    119.67477  1      3.32202  1    99  98  97    0.14630
 H       1.12348  1    109.70136  1    170.18627  1    97  93  92    0.13730
 H       1.12156  1    109.61271  1    287.00405  1    97  93  92    0.10510
 H       1.12708  1    107.62134  1    189.13513  1    93  92   3    0.12800
 H       1.00249  1    111.59865  1    102.42632  1    92   3   2    0.14040
 H       1.00348  1     60.86386  1      3.29900  1    92   3   2    0.14390
 N      17.89408  0     97.90475  0    267.28960  0     3   2   1   -0.29130
 C       1.43736  0    110.29372  0    222.59590  0   114   3   2   -0.11480
 C       1.49667  0    113.30282  0     44.24659  0   115 114   3    0.18240
 O       1.21152  0    117.76296  0    341.83825  0   116 115 114   -0.30280
 H       1.10996  1    117.49553  1    162.07111  1   116 115 114    0.11190
 C       1.55206  1    110.04021  1    279.58596  1   115 114   3   -0.17260
 C       1.52279  1    105.33044  1    359.13230  1   119 115 114   -0.17520
 C       1.53737  1    105.90875  1    356.14233  1   120 119 115   -0.09070
 H       1.12253  1    110.80902  1    130.77542  1   121 120 119    0.08450
 H       1.12437  1    110.13978  1    249.86454  1   121 120 119    0.07010
 H       1.11798  1    110.67654  1    116.20614  1   120 119 115    0.10990
 H       1.11622  1    111.18226  1    235.90059  1   120 119 115    0.07660
 H       1.12251  1    112.35606  1    120.43783  1   119 115 114    0.16080
 H       1.11641  1    109.73159  1    239.37216  1   119 115 114    0.08790
 H       1.13343  1    106.61993  1    162.37094  1   115 114   3    0.09340
 H       1.00620  1     33.27663  1    321.81934  1   114   3   2    0.16840
 N      17.12834  0    109.64320  0    254.84939  0     3   2   1   -0.35000
 C       1.45843  0     53.82819  0    185.26230  0   130   3   2   -0.06860
 C       1.54573  0    115.39702  0    325.30114  0   131 130   3    0.17430
 O       1.21650  0    121.78862  0    193.10814  0   132 131 130   -0.30610
 H       1.11464  1    116.16864  1     14.15892  1   132 131 130    0.07870
 C       1.53318  1    113.30536  1    196.51945  1   131 130   3   -0.22390
 C       1.53499  1    116.81378  1     36.03419  1   135 131 130    0.33400
 O       1.26991  1    120.19034  1     26.22190  1   136 135 131   -0.61260
 O       1.26468  1    117.16613  1    205.99886  1   136 135 131   -0.57950
 H       1.12040  1    108.84001  1    157.70989  1   135 131 130    0.10020
 H       1.12018  1    108.23935  1    274.68658  1   135 131 130    0.07390
 H       1.13601  1    105.62677  1     78.86713  1   131 130   3    0.07990
 H       1.00622  1    133.89750  1    101.12601  1   130   3   2    0.18140
 H       1.00383  1     56.28434  1     17.55701  1   130   3   2    0.12070
 N      12.50007  0     97.91996  0    261.63373  0     3   2   1   -0.33460
 C       1.44534  0     57.31406  0    322.50817  0   144   3   2   -0.08720
 C       1.53835  0    116.53274  0    230.26398  0   145 144   3    0.19580
 O       1.24316  0    120.46732  0    146.99107  0   146 145 144   -0.30710
 H       1.10855  1    117.16605  1    325.55098  1   146 145 144    0.09880
 C       1.55220  1    113.64060  1    106.26681  1   145 144   3   -0.16340
 C       1.48691  1    113.66461  1    184.83387  1   149 145 144   -0.07780
 C       1.40103  1    120.59661  1     71.48879  1   150 149 145   -0.13030
 C       1.39424  1    120.52892  1    178.99656  1   151 150 149   -0.12560
 C       1.39535  1    120.05779  1      0.75386  1   152 151 150   -0.14230
 C       1.39456  1    119.73590  1    358.66912  1   153 152 151   -0.13930
 C       1.39417  1    120.24135  1      0.65147  1   154 153 152   -0.13490
 H       1.09945  1    119.88274  1    180.30684  1   155 154 153    0.11810
 H       1.09906  1    119.92663  1    180.71119  1   154 153 152    0.11760
 H       1.10247  1    119.80644  1    179.03085  1   153 152 151    0.14410
 H       1.10760  1    119.83999  1    181.95297  1   152 151 150    0.17490
 H       1.10240  1    119.94845  1    358.63944  1   151 150 149    0.14680
 H       1.12548  1    107.98625  1    305.18685  1   149 145 144    0.09740
 H       1.12374  1    109.13879  1     61.14976  1   149 145 144    0.10110
 H       1.13613  1    106.10506  1    349.05608  1   145 144   3    0.12510
 H       1.00140  1     73.61453  1     90.48664  1   144   3   2    0.17100
 H       1.00213  1    167.48546  1    346.62133  1   144   3   2    0.14930
 N      10.94337  0    106.51163  0    240.89105  0     3   2   1   -0.34110
 C       1.46213  0     14.86456  0    265.09140  0   166   3   2   -0.09200
 C       1.54890  0    109.51012  0    131.27165  0   167 166   3    0.22250
 O       1.23101  0    125.00583  0    126.76891  0   168 167 166   -0.33760
 H       1.11412  1    113.70872  1    304.86069  1   168 167 166    0.09920
 C       1.54922  1    110.39600  1     12.04192  1   167 166   3   -0.11640
 C       1.46235  1    118.80897  1    162.39342  1   171 167 166   -0.22820
 C       1.40780  1    125.79838  1    254.03186  1   172 171 167   -0.07860
 N       1.38536  1    111.11911  1    190.64804  1   173 172 171   -0.19160
 C       1.39618  1    107.46344  1      1.85368  1   174 173 172   -0.01880
 C       1.45034  1    108.80248  1    358.18790  1   175 174 173   -0.06580
 C       1.39668  1    119.67591  1    179.09887  1   176 175 174   -0.12220
 C       1.38513  1    119.09709  1      0.13412  1   177 176 175   -0.15340
 C       1.40691  1    121.09591  1    359.87983  1   178 177 176   -0.15680
 C       1.38380  1    121.62641  1      0.08950  1   179 178 177   -0.11130
 H       1.10033  1    120.68563  1    180.59110  1   180 179 178    0.15200
 H       1.10231  1    119.84036  1    181.76295  1   179 178 177    0.13490
 H       1.09945  1    119.72706  1    181.37208  1   178 177 176    0.10730
 H       1.09933  1    119.94034  1    182.07840  1   177 176 175    0.12680
 H       1.04168  1    124.70021  1    167.12347  1   174 173 172    0.32790
 H       1.09454  1    128.39953  1      9.45818  1   173 172 171    0.16420
 H       1.12691  1    106.85454  1    285.05677  1   171 167 166    0.10240
 H       1.12943  1    107.92952  1     40.13750  1   171 167 166    0.08540
 H       1.12459  1    108.95056  1    250.96088  1   167 166   3    0.11160
 H       1.00281  1     99.08079  1    132.02532  1   166   3   2    0.15690
 H       1.00433  1    104.12161  1     20.01839  1   166   3   2    0.14820
 N      10.01719  0    101.54687  0    205.40459  0     3   2   1   -0.33300
 C       1.44716  0     60.44593  0    312.77637  0   192   3   2   -0.06360
 C       1.51484  0    114.54894  0    162.40538  0   193 192   3    0.32070
 O       1.23614  0    116.70478  0    115.46584  0   194 193 192   -0.39330
 N       1.35879  0    120.55811  0    294.85307  0   194 193 192   -0.37010
 C       1.46169  0    117.94215  0    183.10701  0   196 194 193   -0.04470
 C       1.50738  0    120.92050  0    281.62350  0   197 196 194    0.19420
 O       1.23358  0    117.93172  0    174.66855  0   198 197 196   -0.31770
 H       1.10893  1    119.05876  1    356.32213  1   198 197 196    0.10400
 C       1.55407  1    111.12952  1    154.31784  1   197 196 194   -0.11080
 C       1.51221  1    111.34697  1    298.70917  1   201 197 196   -0.21000
 H       1.11733  1    111.56876  1     69.14948  1   202 201 197    0.08690
 H       1.11725  1    109.76114  1    188.84621  1   202 201 197    0.07430
 H       1.11678  1    110.56483  1    308.57811  1   202 201 197    0.08560
 C       1.51256  1    111.99009  1     63.59219  1   201 197 196   -0.21360
 H       1.11701  1    110.44252  1     48.45026  1   206 201 197    0.06720
 H       1.11727  1    109.78518  1    168.11842  1   206 201 197    0.07700
 H       1.11681  1    111.61493  1    287.51315  1   206 201 197    0.08140
 H       1.12918  1    105.76850  1    181.50865  1   201 197 196    0.10510
 H       1.14253  1    105.46700  1     38.99031  1   197 196 194    0.14080
 H       0.98859  1    122.48432  1      2.90878  1   196 194 193    0.24700
 C       1.54185  1    116.41864  1     34.18034  1   193 192   3   -0.19590
 C       1.52277  1    112.17350  1    274.64713  1   213 193 192   -0.10640
 C       1.51632  1    110.07049  1    167.07366  1   214 213 193   -0.22780
 H       1.11980  1    110.96342  1     66.60459  1   215 214 213    0.11040
 H       1.11768  1    110.05645  1    185.55363  1   215 214 213    0.08370
 H       1.11664  1    110.76920  1    305.06996  1   215 214 213    0.08490
 C       1.51555  1    111.90535  1    288.64082  1   214 213 193   -0.20540
 H       1.11591  1    111.55935  1     63.16011  1   219 214 213    0.04980
 H       1.11716  1    109.71089  1    183.20001  1   219 214 213    0.07780
 H       1.11725  1    110.38385  1    302.19476  1   219 214 213    0.09110
 H       1.12925  1    108.33018  1     48.74460  1   214 213 193    0.07890
 H       1.12298  1    109.88457  1     36.14887  1   213 193 192    0.09400
 H       1.12180  1    109.63714  1    153.93911  1   213 193 192    0.09610
 H       1.13991  1    105.32317  1    275.80548  1   193 192   3    0.12980
 H       1.00607  1     58.61436  1    171.27778  1   192   3   2    0.16280
 H       1.00493  1     94.72300  1     63.83250  1   192   3   2    0.14540
 N      11.18833  0    145.22708  0    179.37926  0     3   2   1   -0.32850
 C       1.47538  0     38.91567  0     92.42374  0   229   3   2   -0.11080
 C       1.53156  0    110.85889  0     76.62987  0   230 229   3    0.20300
 O       1.23608  0    120.93801  0    131.97322  0   231 230 229   -0.28520
 H       1.10947  1    116.62362  1    310.76330  1   231 230 229    0.09070
 C       1.54272  1    113.92542  1    314.36075  1   230 229   3   -0.14320
 C       1.48665  1    112.47345  1    213.31489  1   234 230 229   -0.09890
 C       1.39840  1    120.52458  1    247.86701  1   235 234 230   -0.11920
 C       1.39407  1    120.24798  1    181.45997  1   236 235 234   -0.11900
 C       1.39512  1    120.11180  1      0.39634  1   237 236 235   -0.14390
 C       1.39629  1    119.81980  1    359.84080  1   238 237 236   -0.13480
 C       1.39385  1    120.13426  1    359.91555  1   239 238 237   -0.13410
 H       1.09931  1    120.00761  1    180.14850  1   240 239 238    0.11410
 H       1.10015  1    119.88903  1    179.62978  1   239 238 237    0.13270
 H       1.10537  1    119.71564  1    178.92546  1   238 237 236    0.17220
 H       1.10692  1    119.88346  1    180.38453  1   237 236 235    0.17840
 H       1.10059  1    120.28724  1      0.99314  1   236 235 234    0.13700
 H       1.12476  1    109.54798  1    333.65056  1   234 230 229    0.08350
 H       1.12286  1    109.44486  1     90.43730  1   234 230 229    0.09040
 H       1.13096  1    106.76545  1    194.12538  1   230 229   3    0.14020
 H       1.00132  1    117.41926  1      6.11868  1   229   3   2    0.14550
 H       1.00162  1     71.25283  1    264.46252  1   229   3   2    0.13160
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32250
 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    0.19250
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.30040
 H       1.11132  1    116.73675  1    347.99828  1   253 252 251    0.08120
 C       1.53925  1    115.48444  1    337.63302  1   252 251   3   -0.10290
 C       1.46977  1    109.11617  1    290.95715  1   256 252 251   -0.17380
 C       1.39143  1    127.32162  1    104.33989  1   257 256 252   -0.07310
 N       1.40226  1    110.72047  1    185.06317  1   258 257 256   -0.20710
 C       1.40714  1    107.54375  1    356.08845  1   259 258 257   -0.02500
 C       1.44435  1    108.32489  1      3.72667  1   260 259 258   -0.07120
 C       1.39459  1    119.56904  1    177.61105  1   261 260 259   -0.09550
 C       1.38774  1    118.83003  1    359.64042  1   262 261 260   -0.14160
 C       1.40568  1    121.38451  1      0.05790  1   263 262 261   -0.10300
 C       1.38826  1    121.49388  1      0.40104  1   264 263 262   -0.15550
 H       1.09825  1    121.18350  1    179.24642  1   265 264 263    0.13270
 H       1.10428  1    118.59226  1    180.31705  1   264 263 262    0.16170
 H       1.10084  1    119.85435  1    179.43436  1   263 262 261    0.14260
 H       1.09980  1    120.11570  1    179.00047  1   262 261 260    0.13720
 H       0.98990  1    122.70600  1    204.06350  1   259 258 257    0.24040
 H       1.09429  1    129.11156  1      2.64391  1   258 257 256    0.16690
 H       1.12203  1    110.30528  1     52.39712  1   256 252 251    0.07980
 H       1.12354  1    108.82406  1    171.12183  1   256 252 251    0.11840
 H       1.14182  1    105.29790  1    221.52990  1   252 251   3    0.13380
 H       1.00484  1     90.07690  1    321.49251  1   251   3   2    0.16690
 H       1.00386  1     60.51590  1    211.42675  1   251   3   2    0.12970
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34280
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04290
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.33220
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41380
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.30490
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.04210
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19660
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.33330
 H       1.11062  1    117.00634  1    314.96147  1   283 282 281    0.08400
 C       1.54257  1    107.47677  1    182.73242  1   282 281 279   -0.15420
 C       1.52553  1    105.72144  1    350.77856  1   286 282 281   -0.16600
 C       1.53929  1    106.65884  1     11.16922  1   287 286 282   -0.04220
 H       1.12544  1    109.48120  1    109.50085  1   288 287 286    0.06420
 H       1.13317  1    111.08487  1    229.59986  1   288 287 286    0.18030
 H       1.11705  1    111.47346  1    131.84769  1   287 286 282    0.06760
 H       1.11997  1    110.56343  1    251.95566  1   287 286 282    0.12060
 H       1.11766  1    110.80800  1    111.20257  1   286 282 281    0.06210
 H       1.11774  1    109.51659  1    230.72913  1   286 282 281    0.11350
 H       1.13795  1    109.25203  1     63.39443  1   282 281 279    0.17220
 C       1.54523  1    115.17632  1    333.40584  1   278 277   3   -0.19230
 C       1.48926  1    111.11221  1    303.42864  1   296 278 277   -0.06980
 C       1.40070  1    120.71721  1    299.01151  1   297 296 278   -0.13620
 C       1.39374  1    120.41766  1    180.16580  1   298 297 296   -0.15590
 C       1.39440  1    120.04325  1      0.41145  1   299 298 297   -0.16200
 C       1.39431  1    119.78654  1      0.35485  1   300 299 298   -0.13920
 C       1.39479  1    120.47388  1    359.44169  1   301 300 299   -0.10060
 H       1.11391  1    120.20303  1    178.66847  1   302 301 300    0.21870
 H       1.09962  1    120.24355  1    178.70329  1   301 300 299    0.12660
 H       1.09834  1    120.00453  1    179.65021  1   300 299 298    0.10120
 H       1.09849  1    119.82715  1    179.76039  1   299 298 297    0.10480
 H       1.10048  1    119.66962  1    359.09500  1   298 297 296    0.13330
 H       1.12960  1    110.22857  1     65.42569  1   296 278 277    0.16190
 H       1.12148  1    108.37004  1    183.28380  1   296 278 277    0.12040
 H       1.14053  1    105.98843  1    215.88444  1   278 277   3    0.11390
 H       1.00464  1     97.04084  1    302.18922  1   277   3   2    0.14790
 H       1.00546  1     60.94277  1    195.78080  1   277   3   2    0.15310
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.33490
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09350
 C       1.53380  0    108.58586  0    148.98325  0   314 313   3    0.20020
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.32370
 H       1.11529  1    115.08386  1    317.01421  1   315 314 313    0.08220
 C       1.54404  1    117.67949  1     27.53659  1   314 313   3   -0.13580
 C       1.51569  1    109.99295  1    188.89788  1   318 314 313   -0.21130
 H       1.11722  1    110.31697  1     66.36180  1   319 318 314    0.06960
 H       1.11766  1    109.93242  1    185.71349  1   319 318 314    0.07990
 H       1.11671  1    111.08336  1    306.03391  1   319 318 314    0.07080
 C       1.51139  1    111.77059  1    310.81525  1   318 314 313   -0.22840
 H       1.11990  1    111.25570  1     69.58364  1   323 318 314    0.10110
 H       1.12019  1    110.36941  1    188.07202  1   323 318 314    0.11280
 H       1.11727  1    110.74054  1    308.18257  1   323 318 314    0.06970
 H       1.12799  1    108.18376  1     69.75774  1   318 314 313    0.09900
 H       1.12950  1    106.33792  1    266.49783  1   314 313   3    0.11860
 H       1.00345  1     20.13970  1    344.76314  1   313   3   2    0.17470
 H       1.00275  1    101.36807  1    233.90518  1   313   3   2    0.14260
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.32510
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.08200
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.14240
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33400
 H       1.11050  1    115.55581  1    133.14415  1   333 332 331    0.11780
 C       1.53107  1    109.37163  1     59.61003  1   332 331   3   -0.19840
 C       1.51134  1    115.15505  1    187.51588  1   336 332 331    0.30600
 O       1.26736  1    122.45961  1     17.36475  1   337 336 332   -0.58880
 O       1.27428  1    117.20873  1    196.08381  1   337 336 332   -0.59490
 H       1.12368  1    108.84740  1    306.74650  1   336 332 331    0.11480
 H       1.12135  1    109.81078  1     64.87861  1   336 332 331    0.08490
 H       1.12739  1    109.62151  1    300.16817  1   332 331   3    0.14580
 H       1.00295  1    121.03011  1     28.75469  1   331   3   2    0.13810
 H       1.00194  1    126.90941  1    233.33727  1   331   3   2    0.12230
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36640
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02680
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.27870
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.41970
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36790
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04380
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19570
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29750
 H       1.10283  1    120.67443  1     53.63667  1   351 350 349    0.11070
 C       1.55007  1    109.78750  1    114.34923  1   350 349 347   -0.15690
 C       1.51972  1    114.25557  1    300.42644  1   354 350 349   -0.11260
 C       1.51711  1    109.37718  1    168.92346  1   355 354 350   -0.20210
 H       1.11640  1    110.61239  1     57.10065  1   356 355 354    0.05890
 H       1.11804  1    110.48338  1    177.15848  1   356 355 354    0.06720
 H       1.11720  1    110.32834  1    297.02696  1   356 355 354    0.08070
 C       1.51387  1    111.49837  1    291.24292  1   355 354 350   -0.20890
 H       1.11804  1    110.25899  1     64.30037  1   360 355 354    0.08950
 H       1.11792  1    110.29745  1    183.62160  1   360 355 354    0.06810
 H       1.11643  1    110.73629  1    303.71147  1   360 355 354    0.05050
 H       1.12769  1    109.70361  1     50.49178  1   355 354 350    0.09790
 H       1.12372  1    108.01910  1     63.02310  1   354 350 349    0.12420
 H       1.12128  1    108.37226  1    179.39496  1   354 350 349    0.08050
 H       1.13946  1    106.53471  1    358.53573  1   350 349 347    0.10930
 H       1.00279  1    121.61238  1    359.90904  1   349 347 346    0.28380
 C       1.53949  1    113.52084  1    354.49488  1   346 345   3   -0.17630
 C       1.52174  1    113.99180  1    302.80617  1   369 346 345   -0.09710
 C       1.51820  1    112.88278  1     82.63832  1   370 369 346   -0.22040
 H       1.11943  1    111.58192  1     26.44885  1   371 370 369    0.10800
 H       1.11766  1    110.32987  1    146.80312  1   371 370 369    0.07160
 H       1.11685  1    110.62370  1    265.95468  1   371 370 369    0.08370
 C       1.51714  1    109.35106  1    205.10582  1   370 369 346   -0.21260
 H       1.11813  1    110.76475  1     49.82586  1   375 370 369    0.05640
 H       1.11856  1    110.45803  1    170.28376  1   375 370 369    0.07510
 H       1.11710  1    110.41933  1    289.88710  1   375 370 369    0.08860
 H       1.12333  1    108.15349  1    323.08673  1   370 369 346    0.07490
 H       1.12326  1    110.38186  1     64.80765  1   369 346 345    0.10170
 H       1.12371  1    107.08460  1    181.31780  1   369 346 345    0.08210
 H       1.13114  1    106.87381  1    234.41204  1   346 345   3    0.10930
 H       1.00566  1     43.87984  1    153.54757  1   345   3   2    0.20150
 H       1.00049  1    140.01815  1     93.79506  1   345   3   2    0.13810
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34810
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.05800
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.28000
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.37250
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.35950
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04520
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.17910
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31160
 H       1.10939  1    115.93956  1     81.68572  1   391 390 389    0.10710
 C       1.53254  1    113.93420  1    145.69601  1   390 389 387   -0.12800
 C       1.48639  1    112.08770  1    307.50498  1   394 390 389   -0.09720
 C       1.40105  1    120.74272  1    297.64584  1   395 394 390   -0.13360
 C       1.39424  1    120.53501  1    178.27825  1   396 395 394   -0.10820
 C       1.39624  1    119.73917  1      0.89049  1   397 396 395   -0.11410
 C       1.39395  1    120.00713  1      0.07349  1   398 397 396   -0.14560
 C       1.39423  1    120.24304  1    359.27633  1   399 398 397   -0.14980
 H       1.09972  1    119.87175  1    181.36977  1   400 399 398    0.12090
 H       1.10001  1    120.00616  1    180.91578  1   399 398 397    0.12420
 H       1.10206  1    119.68132  1    181.71167  1   398 397 396    0.14870
 H       1.10991  1    120.61635  1    182.65352  1   397 396 395    0.19330
 H       1.10041  1    119.82535  1    359.93822  1   396 395 394    0.13270
 H       1.12310  1    109.32325  1     70.61663  1   394 390 389    0.10040
 H       1.12260  1    107.42687  1    186.76743  1   394 390 389    0.09310
 H       1.13528  1    107.45937  1     25.50610  1   390 389 387    0.13340
 H       0.99719  1    121.59292  1    345.97971  1   389 387 386    0.23710
 C       1.53767  1    109.96183  1    313.15157  1   386 385   3   -0.08440
 C       1.47115  1    112.20612  1    187.48931  1   410 386 385   -0.12180
 N       1.39583  1    124.24254  1     83.04477  1   411 410 386   -0.15230
 C       1.38906  1    106.79656  1    180.00427  1   412 411 410   -0.10810
 N       1.35707  1    111.48591  1    359.02691  1   413 412 411   -0.20180
 C       1.38646  1    105.88822  1      0.36616  1   414 413 412   -0.19210
 H       1.09053  1    121.93801  1    181.23489  1   415 414 413    0.17000
 H       1.09440  1    123.25385  1    179.99559  1   413 412 411    0.19110
 H       1.00280  1    125.30103  1    355.80430  1   412 411 410    0.31340
 H       1.13112  1    107.68220  1    307.77822  1   410 386 385    0.15030
 H       1.12201  1    110.28364  1     65.89985  1   410 386 385    0.08260
 H       1.13310  1    106.88115  1    195.66424  1   386 385   3    0.16710
 H       0.99878  1     71.07421  1    195.68536  1   385   3   2    0.14290
 H       0.99760  1    124.02933  1     93.44698  1   385   3   2    0.14030
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.41740
 H       0.96421  1     66.12281  1    289.06974  1   424   3   2    0.21740
 H       0.95965  1    169.06040  1    272.16956  1   424   3   2    0.19510

