


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.35170
 C       1.43541  0      0.00000  0      0.00000  0     1   0   0   -0.10080
 C       1.51361  0    105.85431  0      0.00000  0     2   1   0    0.18310
 O       1.21823  0    118.28448  0    316.65614  0     3   2   1   -0.30160
 H       1.10915  1    117.72435  1    136.76641  1     3   2   1    0.09240
 C       1.53448  1    111.69590  1     84.87842  1     2   3   4   -0.15280
 C       1.51140  1    112.92048  1     56.59894  1     6   2   3   -0.23330
 C       1.52928  1    113.11046  1     77.32747  1     7   6   2    0.32650
 O       1.26548  1    120.12294  1    296.93559  1     8   7   6   -0.58050
 O       1.27351  1    118.20598  1    117.28662  1     8   7   6   -0.62070
 H       1.12274  1    108.92615  1    197.74582  1     7   6   2    0.08640
 H       1.12069  1    110.51400  1    315.65512  1     7   6   2    0.06540
 H       1.12433  1    108.10962  1    176.58861  1     6   2   3    0.08400
 H       1.12296  1    109.48529  1    292.56583  1     6   2   3    0.07900
 H       1.13810  1    108.40738  1    200.90029  1     2   3   4    0.14480
 H       1.00425  1    109.79063  1    160.78388  1     1   2   3    0.13310
 H       1.00944  1    111.33129  1     42.25529  1     1   2   3    0.17200
 N       7.96014  0     75.09678  0    335.36568  0     3   2   1   -0.34670
 C       1.43306  0     42.93610  0    322.43062  0    18   3   2   -0.06630
 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   -0.41770
 N       1.33108  0    117.44794  0    215.43053  0    20  19  18   -0.35970
 C       1.45235  0    123.47707  0    179.52223  0    22  20  19   -0.02760
 C       1.53754  0    111.92080  0    301.14966  0    23  22  20    0.18340
 O       1.25976  0    125.74037  0    157.66496  0    24  23  22   -0.34110
 H       1.11391  1    115.34596  1    338.37136  1    24  23  22    0.09450
 C       1.54479  1    112.47064  1    178.69459  1    23  22  20   -0.06820
 C       1.46288  1    110.03532  1    276.05718  1    27  23  22   -0.24050
 C       1.40422  1    128.28775  1     93.22343  1    28  27  23   -0.02340
 N       1.38623  1    110.64237  1    182.33742  1    29  28  27   -0.19420
 C       1.39764  1    107.88027  1    359.01663  1    30  29  28   -0.01620
 C       1.45049  1    108.51786  1      1.06543  1    31  30  29   -0.07760
 C       1.39634  1    119.99551  1    179.48030  1    32  31  30   -0.12180
 C       1.38537  1    119.06617  1      0.83940  1    33  32  31   -0.16930
 C       1.40663  1    120.93773  1      0.83765  1    34  33  32   -0.14700
 C       1.38463  1    121.63576  1    359.04483  1    35  34  33   -0.11360
 H       1.09849  1    121.57245  1    176.86133  1    36  35  34    0.16280
 H       1.09963  1    119.16494  1    178.63061  1    35  34  33    0.11730
 H       1.09863  1    119.91929  1    180.15881  1    34  33  32    0.10220
 H       1.09898  1    119.79858  1    180.53544  1    33  32  31    0.11870
 H       1.02844  1    123.99168  1    172.77179  1    30  29  28    0.32450
 H       1.09888  1    128.79343  1      3.33747  1    29  28  27    0.19880
 H       1.12333  1    110.86997  1     39.04111  1    27  23  22    0.10050
 H       1.12430  1    107.64083  1    156.71621  1    27  23  22    0.09560
 H       1.13453  1    108.43501  1     58.70699  1    23  22  20    0.13350
 H       0.99969  1    122.05928  1    359.79257  1    22  20  19    0.26900
 C       1.53401  1    113.32863  1    345.84214  1    19  18   3   -0.17130
 C       1.51166  1    109.19633  1    204.81131  1    47  19  18    0.30900
 O       1.24796  1    122.93512  1    242.64754  1    48  47  19   -0.46340
 O       1.32246  1    118.42051  1     59.35061  1    48  47  19   -0.35510
 C       1.76584  0    112.49075  1    190.68246  1    50  48  47    0.10800
 H       1.10635  1    101.73149  1     25.34285  1    51  50  48    0.14580
 H       1.10215  1     98.74298  1    266.50442  1    51  50  48    0.13500
Cl       3.04932  1    161.92390  1    340.22821  1    51  50  48   -0.85110
 C       1.48846  1    100.79399  1    145.96742  1    51  50  48   -0.17700
 H       1.12577  1    109.49101  1    350.99152  1    55  51  50    0.10800
 H       1.12448  1    108.87077  1    233.94195  1    55  51  50    0.10110
 C       1.51492  1    112.06342  1    112.89482  1    55  51  50   -0.17470
 H       1.12346  1    109.59244  1    305.78106  1    58  55  51    0.09350
 C       1.50567  1    110.96278  1    184.50799  1    58  55  51   -0.21200
 H       1.11819  1    110.36428  1    299.98226  1    60  58  55    0.06410
 H       1.11784  1    110.39528  1    179.91704  1    60  58  55    0.06970
 H       1.11901  1    110.93564  1     59.98717  1    60  58  55    0.07040
 H       1.12440  1    109.10751  1     63.14396  1    58  55  51    0.10760
 H       1.12418  1    110.03535  1    323.09517  1    47  19  18    0.15040
 H       1.11928  1    112.84501  1     83.21334  1    47  19  18    0.12290
 H       1.16385  1    107.05471  1    234.64118  1    19  18   3    0.08600
 H       1.00220  1    151.00678  1    350.10438  1    18   3   2    0.16460
 H       1.00176  1     93.07437  1    206.36932  1    18   3   2    0.16560
 N      11.18390  0     45.95169  0    335.35266  0     3   2   1   -0.33340
 C       1.48474  0    109.83433  0    318.64400  0    70   3   2   -0.10070
 C       1.54617  0    110.48582  0    112.74304  0    71  70   3    0.20040
 O       1.23698  0    121.33134  0    141.68350  0    72  71  70   -0.32600
 H       1.11009  1    116.30894  1    319.91979  1    72  71  70    0.10370
 C       1.52940  1    116.73685  1    351.18118  1    71  70   3   -0.15150
 C       1.48742  1    115.95837  1    288.57338  1    75  71  70   -0.07230
 C       1.39749  1    124.06477  1    352.46826  1    76  75  71   -0.13970
 C       1.39606  1    120.32776  1    180.08101  1    77  76  75   -0.13170
 C       1.39223  1    120.40542  1      0.70262  1    78  77  76   -0.13730
 C       1.39599  1    119.61618  1      0.24141  1    79  78  77   -0.12600
 C       1.39106  1    120.07627  1    358.93943  1    80  79  78   -0.12450
 H       1.10465  1    119.76004  1    182.18160  1    81  80  79    0.15590
 H       1.10248  1    120.11112  1    179.61962  1    80  79  78    0.14410
 H       1.10135  1    120.43695  1    181.43756  1    79  78  77    0.13480
 H       1.09981  1    119.73363  1    181.50444  1    78  77  76    0.12470
 H       1.09952  1    121.02068  1      0.96515  1    77  76  75    0.12940
 H       1.12702  1    109.18065  1     51.97672  1    75  71  70    0.10750
 H       1.12660  1    107.86021  1    167.73236  1    75  71  70    0.09810
 H       1.12900  1    106.44732  1    228.95838  1    71  70   3    0.11610
 H       1.00525  1     61.10219  1    217.49987  1    70   3   2    0.17520
 H       1.00419  1     49.08944  1     57.47995  1    70   3   2    0.14790
 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   -0.10250
 C       1.54084  0    112.94709  0     70.56927  0    93  92   3    0.19540
 O       1.24033  0    121.30901  0    176.74567  0    94  93  92   -0.29990
 H       1.10989  1    116.97458  1    356.85100  1    94  93  92    0.10140
 C       1.54754  1    112.60279  1    309.39061  1    93  92   3   -0.15470
 C       1.49013  1    110.47429  1     48.34145  1    97  93  92   -0.06390
 C       1.40024  1    120.51081  1     86.85787  1    98  97  93   -0.13340
 C       1.39372  1    120.31009  1    182.67824  1    99  98  97   -0.12170
 C       1.39512  1    120.18286  1    359.40259  1   100  99  98   -0.13110
 C       1.39432  1    119.79608  1    359.81899  1   101 100  99   -0.13680
 C       1.39385  1    120.12395  1      0.43988  1   102 101 100   -0.14130
 H       1.09955  1    119.95295  1    181.31277  1   103 102 101    0.12090
 H       1.09919  1    119.96053  1    181.09302  1   102 101 100    0.12020
 H       1.09953  1    119.95996  1    180.31813  1   101 100  99    0.13250
 H       1.10215  1    119.66167  1    180.15030  1   100  99  98    0.14420
 H       1.10235  1    119.67110  1      3.20750  1    99  98  97    0.14590
 H       1.12347  1    109.67708  1    170.23285  1    97  93  92    0.13690
 H       1.12156  1    109.63757  1    287.03809  1    97  93  92    0.10530
 H       1.12709  1    107.62614  1    189.15206  1    93  92   3    0.12840
 H       1.00254  1    111.75288  1    102.58161  1    92   3   2    0.14050
 H       1.00352  1     60.80489  1      3.51229  1    92   3   2    0.14390
 N      17.89408  0     97.90475  0    267.28960  0     3   2   1   -0.29150
 C       1.43736  0    110.29372  0    222.59590  0   114   3   2   -0.11510
 C       1.49667  0    113.30282  0     44.24659  0   115 114   3    0.18310
 O       1.21152  0    117.76296  0    341.83825  0   116 115 114   -0.30330
 H       1.10996  1    117.50690  1    162.14557  1   116 115 114    0.11180
 C       1.55147  1    110.03409  1    279.56828  1   115 114   3   -0.17270
 C       1.52273  1    105.34294  1    359.12197  1   119 115 114   -0.17510
 C       1.53714  1    105.91961  1    356.11730  1   120 119 115   -0.09070
 H       1.12260  1    110.80174  1    130.83514  1   121 120 119    0.08450
 H       1.12450  1    110.13319  1    249.86500  1   121 120 119    0.07010
 H       1.11804  1    110.68742  1    116.18372  1   120 119 115    0.10990
 H       1.11624  1    111.18447  1    235.88166  1   120 119 115    0.07650
 H       1.12263  1    112.38194  1    120.44664  1   119 115 114    0.16090
 H       1.11649  1    109.74587  1    239.35989  1   119 115 114    0.08790
 H       1.13352  1    106.61592  1    162.34173  1   115 114   3    0.09340
 H       1.00626  1     33.29194  1    321.80350  1   114   3   2    0.16840
 N      17.12834  0    109.64320  0    254.84939  0     3   2   1   -0.35040
 C       1.45843  0     53.82819  0    185.26230  0   130   3   2   -0.06980
 C       1.54573  0    115.39702  0    325.30114  0   131 130   3    0.17910
 O       1.21650  0    121.78862  0    193.10814  0   132 131 130   -0.30840
 H       1.11460  1    116.16908  1     14.11192  1   132 131 130    0.07730
 C       1.53309  1    113.30727  1    196.54952  1   131 130   3   -0.22380
 C       1.53497  1    116.80667  1     35.95632  1   135 131 130    0.33350
 O       1.26991  1    120.18235  1     26.25914  1   136 135 131   -0.61260
 O       1.26466  1    117.18205  1    206.04562  1   136 135 131   -0.57920
 H       1.12043  1    108.83581  1    157.65245  1   135 131 130    0.10040
 H       1.12019  1    108.24535  1    274.62062  1   135 131 130    0.07400
 H       1.13604  1    105.61164  1     78.89012  1   131 130   3    0.08000
 H       1.00623  1    133.94275  1    101.16761  1   130   3   2    0.18190
 H       1.00380  1     56.29462  1     17.58789  1   130   3   2    0.12070
 N      12.50007  0     97.91996  0    261.63373  0     3   2   1   -0.33530
 C       1.44534  0     57.31406  0    322.50817  0   144   3   2   -0.08760
 C       1.53835  0    116.53274  0    230.26398  0   145 144   3    0.19640
 O       1.24316  0    120.46732  0    146.99107  0   146 145 144   -0.30760
 H       1.10860  1    117.22082  1    326.18899  1   146 145 144    0.09920
 C       1.55172  1    113.68092  1    105.94121  1   145 144   3   -0.16290
 C       1.48694  1    113.60976  1    184.63448  1   149 145 144   -0.07740
 C       1.40080  1    120.63381  1     71.42131  1   150 149 145   -0.13080
 C       1.39444  1    120.52501  1    178.91589  1   151 150 149   -0.12600
 C       1.39556  1    120.04841  1      0.68248  1   152 151 150   -0.14200
 C       1.39466  1    119.73860  1    358.69326  1   153 152 151   -0.13860
 C       1.39375  1    120.24806  1      0.89430  1   154 153 152   -0.13450
 H       1.09954  1    119.87105  1    180.46590  1   155 154 153    0.11820
 H       1.09911  1    119.92380  1    180.92130  1   154 153 152    0.11720
 H       1.10251  1    119.79141  1    178.99359  1   153 152 151    0.14430
 H       1.10820  1    119.90931  1    181.93255  1   152 151 150    0.17390
 H       1.10227  1    119.93136  1    358.54801  1   151 150 149    0.14630
 H       1.12576  1    107.97934  1    305.07180  1   149 145 144    0.09740
 H       1.12368  1    109.12872  1     61.10771  1   149 145 144    0.10130
 H       1.13651  1    105.94767  1    348.78178  1   145 144   3    0.12480
 H       1.00142  1     73.59796  1     90.50603  1   144   3   2    0.17130
 H       1.00210  1    167.54590  1    346.28886  1   144   3   2    0.14970
 N      10.94337  0    106.51163  0    240.89105  0     3   2   1   -0.34150
 C       1.46213  0     14.86456  0    265.09140  0   166   3   2   -0.09210
 C       1.54890  0    109.51012  0    131.27165  0   167 166   3    0.22200
 O       1.23101  0    125.00583  0    126.76891  0   168 167 166   -0.33700
 H       1.11411  1    113.71158  1    304.99224  1   168 167 166    0.09870
 C       1.54880  1    110.50812  1     12.69853  1   167 166   3   -0.11700
 C       1.46210  1    118.75924  1    162.46491  1   171 167 166   -0.22760
 C       1.40733  1    125.69832  1    254.33942  1   172 171 167   -0.07970
 N       1.38608  1    111.17887  1    190.41885  1   173 172 171   -0.19470
 C       1.39738  1    107.38571  1      1.67946  1   174 173 172   -0.01920
 C       1.45019  1    108.82309  1    358.40631  1   175 174 173   -0.06460
 C       1.39646  1    119.66635  1    179.76468  1   176 175 174   -0.12320
 C       1.38507  1    119.09048  1      0.11329  1   177 176 175   -0.15320
 C       1.40707  1    121.09291  1    359.85254  1   178 177 176   -0.15550
 C       1.38397  1    121.61906  1      0.03045  1   179 178 177   -0.11210
 H       1.10055  1    120.65523  1    180.50231  1   180 179 178    0.15240
 H       1.10217  1    119.78130  1    181.31874  1   179 178 177    0.13620
 H       1.09947  1    119.76729  1    181.18331  1   178 177 176    0.10770
 H       1.09917  1    119.93710  1    181.93073  1   177 176 175    0.12720
 H       1.04009  1    124.45030  1    167.03054  1   174 173 172    0.32690
 H       1.09467  1    128.41872  1      9.19599  1   173 172 171    0.16380
 H       1.12689  1    106.89690  1    285.10312  1   171 167 166    0.10220
 H       1.12952  1    107.92089  1     40.19176  1   171 167 166    0.08590
 H       1.12465  1    108.89334  1    250.92666  1   167 166   3    0.11250
 H       1.00259  1     99.13842  1    132.09996  1   166   3   2    0.15720
 H       1.00422  1    104.13335  1     20.04397  1   166   3   2    0.14840
 N      10.01719  0    101.54687  0    205.40459  0     3   2   1   -0.33420
 C       1.44716  0     60.44593  0    312.77637  0   192   3   2   -0.06530
 C       1.51484  0    114.54894  0    162.40538  0   193 192   3    0.32210
 O       1.23614  0    116.70478  0    115.46584  0   194 193 192   -0.39390
 N       1.35879  0    120.55811  0    294.85307  0   194 193 192   -0.36870
 C       1.46169  0    117.94215  0    183.10701  0   196 194 193   -0.04740
 C       1.50738  0    120.92050  0    281.62350  0   197 196 194    0.19480
 O       1.23358  0    117.93172  0    174.66855  0   198 197 196   -0.31770
 H       1.10893  1    119.04106  1    356.18168  1   198 197 196    0.10400
 C       1.55420  1    111.13389  1    154.30118  1   197 196 194   -0.11020
 C       1.51217  1    111.34508  1    298.71276  1   201 197 196   -0.21010
 H       1.11734  1    111.56674  1     69.18284  1   202 201 197    0.08650
 H       1.11726  1    109.75703  1    188.87438  1   202 201 197    0.07440
 H       1.11677  1    110.57045  1    308.61921  1   202 201 197    0.08610
 C       1.51252  1    111.99208  1     63.59877  1   201 197 196   -0.21420
 H       1.11699  1    110.44204  1     48.47800  1   206 201 197    0.06720
 H       1.11728  1    109.77846  1    168.13573  1   206 201 197    0.07700
 H       1.11682  1    111.62315  1    287.53082  1   206 201 197    0.08190
 H       1.12917  1    105.75244  1    181.50106  1   201 197 196    0.10510
 H       1.14254  1    105.45732  1     38.97263  1   197 196 194    0.14140
 H       0.98854  1    122.50040  1      2.95266  1   196 194 193    0.24640
 C       1.54175  1    116.45347  1     34.15891  1   193 192   3   -0.19400
 C       1.52266  1    112.20383  1    274.55676  1   213 193 192   -0.10520
 C       1.51628  1    110.06442  1    167.08565  1   214 213 193   -0.22790
 H       1.11980  1    110.97626  1     66.66043  1   215 214 213    0.10970
 H       1.11770  1    110.06864  1    185.63849  1   215 214 213    0.08410
 H       1.11665  1    110.78097  1    305.15714  1   215 214 213    0.08490
 C       1.51560  1    111.90537  1    288.62422  1   214 213 193   -0.20630
 H       1.11590  1    111.55991  1     63.16547  1   219 214 213    0.05000
 H       1.11716  1    109.70604  1    183.21108  1   219 214 213    0.07850
 H       1.11726  1    110.38153  1    302.20748  1   219 214 213    0.09080
 H       1.12926  1    108.31966  1     48.71893  1   214 213 193    0.07910
 H       1.12290  1    109.90653  1     36.00324  1   213 193 192    0.09390
 H       1.12180  1    109.61094  1    153.80316  1   213 193 192    0.09460
 H       1.14004  1    105.30281  1    275.78707  1   193 192   3    0.13010
 H       1.00585  1     58.53878  1    171.34610  1   192   3   2    0.16280
 H       1.00490  1     94.70521  1     63.86121  1   192   3   2    0.14590
 N      11.18833  0    145.22708  0    179.37926  0     3   2   1   -0.32700
 C       1.47538  0     38.91567  0     92.42374  0   229   3   2   -0.11150
 C       1.53156  0    110.85889  0     76.62987  0   230 229   3    0.20380
 O       1.23608  0    120.93801  0    131.97322  0   231 230 229   -0.28580
 H       1.10948  1    116.64252  1    311.00060  1   231 230 229    0.09070
 C       1.54262  1    114.09029  1    314.60626  1   230 229   3   -0.14340
 C       1.48595  1    112.49729  1    213.27093  1   234 230 229   -0.09800
 C       1.39865  1    120.56287  1    251.57069  1   235 234 230   -0.11910
 C       1.39468  1    120.24663  1    181.88625  1   236 235 234   -0.12200
 C       1.39512  1    120.10691  1      0.32580  1   237 236 235   -0.14140
 C       1.39596  1    119.81925  1    359.86124  1   238 237 236   -0.13760
 C       1.39350  1    120.13768  1    359.88771  1   239 238 237   -0.13310
 H       1.09921  1    119.98249  1    179.71353  1   240 239 238    0.11400
 H       1.10036  1    119.92338  1    179.42494  1   239 238 237    0.13380
 H       1.10532  1    119.75599  1    178.95167  1   238 237 236    0.17230
 H       1.10709  1    119.85501  1    180.35961  1   237 236 235    0.17900
 H       1.10058  1    120.24736  1      1.40280  1   236 235 234    0.13650
 H       1.12511  1    109.35067  1    333.38901  1   234 230 229    0.08270
 H       1.12285  1    109.51983  1     90.06865  1   234 230 229    0.09090
 H       1.13036  1    106.88210  1    194.50638  1   230 229   3    0.14040
 H       1.00137  1    117.48718  1      5.89812  1   229   3   2    0.14520
 H       1.00165  1     71.24635  1    264.58178  1   229   3   2    0.13080
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32230
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11510
 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   -0.30060
 H       1.11137  1    116.74279  1    348.15805  1   253 252 251    0.08150
 C       1.53917  1    115.65699  1    337.61221  1   252 251   3   -0.10300
 C       1.46976  1    109.07695  1    290.80486  1   256 252 251   -0.17320
 C       1.39140  1    127.18178  1    103.89002  1   257 256 252   -0.07450
 N       1.40253  1    110.78710  1    185.25814  1   258 257 256   -0.20770
 C       1.40751  1    107.55744  1    356.27786  1   259 258 257   -0.02210
 C       1.44553  1    108.33141  1      3.50564  1   260 259 258   -0.07230
 C       1.39671  1    119.54068  1    177.33378  1   261 260 259   -0.09500
 C       1.38807  1    118.81391  1    359.78144  1   262 261 260   -0.14250
 C       1.40519  1    121.36918  1      0.13762  1   263 262 261   -0.10220
 C       1.39099  1    121.48719  1      0.64985  1   264 263 262   -0.15790
 H       1.09822  1    121.17835  1    178.80859  1   265 264 263    0.13260
 H       1.10432  1    118.60690  1    179.84343  1   264 263 262    0.16190
 H       1.10079  1    119.86203  1    179.52901  1   263 262 261    0.14340
 H       1.09982  1    120.15357  1    179.26582  1   262 261 260    0.13750
 H       0.98955  1    122.61405  1    204.32930  1   259 258 257    0.24010
 H       1.09437  1    129.13350  1      3.07837  1   258 257 256    0.16700
 H       1.12157  1    110.21287  1     52.41863  1   256 252 251    0.08050
 H       1.12365  1    108.74759  1    171.24746  1   256 252 251    0.11840
 H       1.14192  1    105.17262  1    221.38624  1   252 251   3    0.13370
 H       1.00488  1     90.08137  1    321.48906  1   251   3   2    0.16680
 H       1.00392  1     60.54664  1    211.44044  1   251   3   2    0.12980
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34290
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04200
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.33240
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41520
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.30400
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.04390
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19700
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.33430
 H       1.11070  1    117.03985  1    315.05145  1   283 282 281    0.08370
 C       1.54231  1    107.46842  1    182.67697  1   282 281 279   -0.15370
 C       1.52562  1    105.71677  1    350.82205  1   286 282 281   -0.16610
 C       1.53925  1    106.65245  1     11.16758  1   287 286 282   -0.04200
 H       1.12539  1    109.48402  1    109.50591  1   288 287 286    0.06420
 H       1.13322  1    111.12541  1    229.60872  1   288 287 286    0.17960
 H       1.11697  1    111.46215  1    131.87888  1   287 286 282    0.06770
 H       1.12005  1    110.54761  1    251.98180  1   287 286 282    0.12070
 H       1.11758  1    110.84003  1    111.26752  1   286 282 281    0.06180
 H       1.11775  1    109.49407  1    230.80989  1   286 282 281    0.11340
 H       1.13924  1    109.17888  1     63.43962  1   282 281 279    0.17490
 C       1.54546  1    115.11154  1    333.48980  1   278 277   3   -0.19190
 C       1.48942  1    111.09743  1    303.56598  1   296 278 277   -0.06800
 C       1.40077  1    120.66207  1    298.57701  1   297 296 278   -0.14290
 C       1.39358  1    120.41225  1    180.17205  1   298 297 296   -0.15220
 C       1.39447  1    120.03729  1      0.40456  1   299 298 297   -0.16260
 C       1.39445  1    119.78391  1      0.34857  1   300 299 298   -0.13780
 C       1.39495  1    120.47005  1    359.40957  1   301 300 299   -0.10160
 H       1.11386  1    120.20190  1    178.42459  1   302 301 300    0.21960
 H       1.09961  1    120.22896  1    178.63420  1   301 300 299    0.12680
 H       1.09833  1    119.99634  1    179.68454  1   300 299 298    0.10140
 H       1.09851  1    119.81770  1    179.75825  1   299 298 297    0.10480
 H       1.10048  1    119.66375  1    359.11692  1   298 297 296    0.13310
 H       1.12963  1    110.27194  1     65.52119  1   296 278 277    0.16250
 H       1.12117  1    108.37288  1    183.42962  1   296 278 277    0.11900
 H       1.14035  1    106.00857  1    215.96550  1   278 277   3    0.11190
 H       1.00451  1     97.15009  1    302.21110  1   277   3   2    0.14820
 H       1.00543  1     60.90280  1    195.83013  1   277   3   2    0.15340
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.33850
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09230
 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   -0.32350
 H       1.11526  1    115.12029  1    317.44390  1   315 314 313    0.08250
 C       1.54438  1    117.69911  1     27.41603  1   314 313   3   -0.13630
 C       1.51533  1    110.01227  1    188.70805  1   318 314 313   -0.21160
 H       1.11741  1    110.31601  1     66.66913  1   319 318 314    0.06930
 H       1.11765  1    109.95226  1    185.98616  1   319 318 314    0.07930
 H       1.11667  1    111.07021  1    306.30077  1   319 318 314    0.07170
 C       1.51126  1    111.63900  1    310.59627  1   318 314 313   -0.22860
 H       1.11990  1    111.34379  1     69.64880  1   323 318 314    0.10300
 H       1.12041  1    110.22538  1    188.00914  1   323 318 314    0.11010
 H       1.11725  1    110.73988  1    308.06994  1   323 318 314    0.06910
 H       1.12786  1    108.28194  1     69.51105  1   318 314 313    0.10060
 H       1.12949  1    106.35818  1    266.44712  1   314 313   3    0.11860
 H       1.00338  1     20.19182  1    344.65413  1   313   3   2    0.17580
 H       1.00275  1    101.43985  1    233.94764  1   313   3   2    0.14420
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.32500
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.08190
 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   -0.33390
 H       1.11047  1    115.52092  1    133.40381  1   333 332 331    0.11780
 C       1.53078  1    109.32340  1     59.46748  1   332 331   3   -0.19850
 C       1.51110  1    115.19230  1    187.25917  1   336 332 331    0.30640
 O       1.26748  1    122.46212  1     17.60607  1   337 336 332   -0.58940
 O       1.27412  1    117.18367  1    196.40244  1   337 336 332   -0.59450
 H       1.12362  1    108.84425  1    306.76472  1   336 332 331    0.11500
 H       1.12144  1    109.81004  1     64.62810  1   336 332 331    0.08480
 H       1.12748  1    109.56960  1    300.08818  1   332 331   3    0.14550
 H       1.00298  1    120.83259  1     29.02916  1   331   3   2    0.13800
 H       1.00187  1    127.10596  1    233.63392  1   331   3   2    0.12210
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36650
 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    0.27860
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.42000
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36770
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04340
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19530
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29660
 H       1.10283  1    120.67727  1     53.52090  1   351 350 349    0.11070
 C       1.55022  1    109.77410  1    114.24055  1   350 349 347   -0.15790
 C       1.51944  1    114.25593  1    300.09590  1   354 350 349   -0.11000
 C       1.51720  1    109.38039  1    168.00365  1   355 354 350   -0.20670
 H       1.11645  1    110.58475  1     56.59492  1   356 355 354    0.06030
 H       1.11788  1    110.49851  1    176.71468  1   356 355 354    0.06800
 H       1.11734  1    110.29165  1    296.62771  1   356 355 354    0.08220
 C       1.51401  1    111.47432  1    290.24682  1   355 354 350   -0.21390
 H       1.11798  1    110.25862  1     64.28812  1   360 355 354    0.08920
 H       1.11791  1    110.26965  1    183.64186  1   360 355 354    0.06940
 H       1.11637  1    110.75991  1    303.72109  1   360 355 354    0.05260
 H       1.12762  1    109.75799  1     50.02413  1   355 354 350    0.09840
 H       1.12425  1    107.91431  1     62.96642  1   354 350 349    0.12520
 H       1.12089  1    108.44448  1    179.22543  1   354 350 349    0.08020
 H       1.13932  1    106.52618  1    358.49634  1   350 349 347    0.10880
 H       1.00287  1    121.59104  1      0.00000  1   349 347 346    0.28410
 C       1.53954  1    113.49701  1    354.51203  1   346 345   3   -0.17650
 C       1.52164  1    113.98322  1    302.71820  1   369 346 345   -0.09700
 C       1.51798  1    112.91970  1     82.65668  1   370 369 346   -0.22080
 H       1.11941  1    111.61830  1     26.35481  1   371 370 369    0.10850
 H       1.11764  1    110.34284  1    146.43648  1   371 370 369    0.07160
 H       1.11691  1    110.61045  1    265.89914  1   371 370 369    0.08420
 C       1.51720  1    109.34885  1    205.13758  1   370 369 346   -0.21190
 H       1.11813  1    110.72680  1     50.12437  1   375 370 369    0.05520
 H       1.11849  1    110.43888  1    170.54093  1   375 370 369    0.07540
 H       1.11709  1    110.35844  1    290.14268  1   375 370 369    0.08780
 H       1.12344  1    108.14661  1    323.05435  1   370 369 346    0.07490
 H       1.12331  1    110.37996  1     64.73051  1   369 346 345    0.10270
 H       1.12353  1    107.03225  1    181.29131  1   369 346 345    0.08110
 H       1.13106  1    106.88674  1    234.45198  1   346 345   3    0.10920
 H       1.00561  1     43.78373  1    153.98501  1   345   3   2    0.20160
 H       1.00046  1    139.72036  1     93.84177  1   345   3   2    0.13840
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34800
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.05770
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.28030
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.37150
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.35830
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04890
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.18020
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31240
 H       1.10936  1    115.92697  1     81.69786  1   391 390 389    0.10690
 C       1.53116  1    114.24322  1    145.22314  1   390 389 387   -0.12600
 C       1.48709  1    111.65920  1    306.97562  1   394 390 389   -0.10170
 C       1.40431  1    120.86316  1    295.03473  1   395 394 390   -0.13110
 C       1.39407  1    120.56741  1    177.88111  1   396 395 394   -0.10730
 C       1.39597  1    119.74764  1      0.32784  1   397 396 395   -0.11360
 C       1.39403  1    120.00065  1      0.33582  1   398 397 396   -0.15160
 C       1.39387  1    120.22292  1    359.69422  1   399 398 397   -0.14300
 H       1.10001  1    119.78965  1    180.97674  1   400 399 398    0.11990
 H       1.09986  1    119.98442  1    181.05155  1   399 398 397    0.12420
 H       1.10225  1    119.74483  1    182.22305  1   398 397 396    0.15090
 H       1.10928  1    120.72870  1    182.98842  1   397 396 395    0.19450
 H       1.10037  1    119.78691  1    359.03352  1   396 395 394    0.12980
 H       1.12307  1    109.54098  1     69.68913  1   394 390 389    0.09920
 H       1.12209  1    107.54720  1    185.90032  1   394 390 389    0.09380
 H       1.13633  1    107.35694  1     25.20231  1   390 389 387    0.13450
 H       0.99742  1    121.52689  1    345.43498  1   389 387 386    0.23640
 C       1.53717  1    109.91653  1    312.97054  1   386 385   3   -0.08580
 C       1.47052  1    112.12134  1    187.44704  1   410 386 385   -0.12330
 N       1.39568  1    124.27190  1     83.36229  1   411 410 386   -0.15160
 C       1.38922  1    106.80408  1    180.07226  1   412 411 410   -0.11390
 N       1.35704  1    111.48967  1    358.95816  1   413 412 411   -0.19000
 C       1.38636  1    105.89480  1      0.32774  1   414 413 412   -0.19560
 H       1.09051  1    121.91071  1    181.28043  1   415 414 413    0.17180
 H       1.09405  1    123.23183  1    179.69893  1   413 412 411    0.19030
 H       1.00240  1    125.32076  1    355.36745  1   412 411 410    0.31230
 H       1.13115  1    107.72086  1    307.81527  1   410 386 385    0.15020
 H       1.12198  1    110.28198  1     65.95647  1   410 386 385    0.08280
 H       1.13316  1    106.85064  1    195.56584  1   386 385   3    0.16670
 H       0.99880  1     71.06540  1    195.82052  1   385   3   2    0.14250
 H       0.99764  1    123.90488  1     93.63278  1   385   3   2    0.14000
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.41940
 H       0.96419  1     64.36106  1    293.18233  1   424   3   2    0.21640
 H       0.95976  1    166.79269  1    273.20104  1   424   3   2    0.19730

