


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.35020
 C       1.43541  0      0.00000  0      0.00000  0     1   0   0   -0.09880
 C       1.51361  0    105.85431  0      0.00000  0     2   1   0    0.18110
 O       1.21823  0    118.28448  0    316.65614  0     3   2   1   -0.29880
 H       1.10918  1    117.75844  1    136.94029  1     3   2   1    0.09050
 C       1.53548  1    110.82904  1     84.25576  1     2   3   4   -0.15610
 C       1.51134  1    112.80668  1     57.72395  1     6   2   3   -0.22970
 C       1.52915  1    113.21078  1     76.82301  1     7   6   2    0.32680
 O       1.26520  1    120.04677  1    296.68483  1     8   7   6   -0.57950
 O       1.27354  1    118.35186  1    117.27329  1     8   7   6   -0.62260
 H       1.12245  1    108.87279  1    197.31932  1     7   6   2    0.08290
 H       1.12064  1    110.48136  1    315.16511  1     7   6   2    0.06530
 H       1.12415  1    108.21191  1    177.89265  1     6   2   3    0.08290
 H       1.12291  1    109.41414  1    293.73444  1     6   2   3    0.07830
 H       1.13694  1    108.87636  1    200.44037  1     2   3   4    0.14520
 H       1.00410  1    109.86350  1    160.25890  1     1   2   3    0.13610
 H       1.00922  1    111.52892  1     42.18775  1     1   2   3    0.17260
 N       7.96014  0     75.09678  0    335.36568  0     3   2   1   -0.34740
 C       1.43306  0     42.93610  0    322.43062  0    18   3   2   -0.06230
 C       1.48866  0    114.42599  0    125.51033  0    19  18   3    0.33150
 O       1.22130  0    115.93694  0     35.03719  0    20  19  18   -0.42570
 N       1.33108  0    117.44794  0    215.43053  0    20  19  18   -0.36140
 C       1.45235  0    123.47707  0    179.52223  0    22  20  19   -0.02560
 C       1.53754  0    111.92080  0    301.14966  0    23  22  20    0.18530
 O       1.25976  0    125.74037  0    157.66496  0    24  23  22   -0.34540
 H       1.11393  1    115.33240  1    338.22939  1    24  23  22    0.09430
 C       1.54216  1    113.17957  1    178.73435  1    23  22  20   -0.07180
 C       1.46368  1    110.20731  1    274.83562  1    27  23  22   -0.22730
 C       1.40320  1    127.54742  1     91.96829  1    28  27  23   -0.01870
 N       1.38749  1    110.17801  1    182.79144  1    29  28  27   -0.19500
 C       1.39774  1    108.37334  1    359.32557  1    30  29  28   -0.01540
 C       1.45036  1    108.14048  1      1.09034  1    31  30  29   -0.07790
 C       1.39640  1    119.52712  1    179.47952  1    32  31  30   -0.11590
 C       1.38578  1    119.05675  1      0.57866  1    33  32  31   -0.16970
 C       1.40570  1    121.21849  1      0.80481  1    34  33  32   -0.14460
 C       1.38510  1    121.54888  1    359.51916  1    35  34  33   -0.11760
 H       1.09871  1    121.66995  1    176.12710  1    36  35  34    0.16220
 H       1.09958  1    119.21809  1    178.77751  1    35  34  33    0.11750
 H       1.09894  1    119.77027  1    180.43742  1    34  33  32    0.10280
 H       1.09905  1    119.81307  1    180.49409  1    33  32  31    0.12090
 H       1.01085  1    124.39832  1    176.56669  1    30  29  28    0.30960
 H       1.09942  1    128.76728  1      4.03982  1    29  28  27    0.20660
 H       1.12393  1    110.74835  1     37.58008  1    27  23  22    0.10420
 H       1.12434  1    107.88276  1    155.28621  1    27  23  22    0.09510
 H       1.13500  1    108.15703  1     58.30763  1    23  22  20    0.12930
 H       1.00107  1    122.19290  1    359.90638  1    22  20  19    0.27760
 C       1.53375  1    114.07585  1    346.13256  1    19  18   3   -0.18010
 C       1.51887  1    109.99023  1    204.95357  1    47  19  18    0.31410
 O       1.25880  1    121.23919  1    247.47730  1    48  47  19   -0.52920
 O       1.30001  1    120.02076  1     65.29261  1    48  47  19   -0.44630
 C       1.96584  0    111.22950  1    190.74504  1    50  48  47    0.21040
 H       1.09996  1     95.60177  1     14.98241  1    51  50  48    0.16480
 H       1.09753  1     92.26359  1    256.20593  1    51  50  48    0.14040
Cl       2.64938  1    164.63338  1    329.32676  1    51  50  48   -0.84010
 C       1.47930  1     97.58073  1    135.67536  1    51  50  48   -0.19060
 H       1.12764  1    108.41019  1    351.62521  1    55  51  50    0.13080
 H       1.12518  1    109.22209  1    234.77458  1    55  51  50    0.10890
 C       1.51389  1    112.46561  1    112.99046  1    55  51  50   -0.17630
 H       1.12363  1    109.69507  1    309.40850  1    58  55  51    0.09380
 C       1.50557  1    110.96196  1    188.26396  1    58  55  51   -0.21280
 H       1.11836  1    110.50569  1    299.00136  1    60  58  55    0.06320
 H       1.11813  1    110.23710  1    178.86232  1    60  58  55    0.06960
 H       1.11912  1    110.91426  1     59.09706  1    60  58  55    0.07440
 H       1.12530  1    109.25429  1     66.64941  1    58  55  51    0.10940
 H       1.12325  1    109.72638  1    323.50441  1    47  19  18    0.14620
 H       1.11861  1    112.35776  1     82.91088  1    47  19  18    0.11170
 H       1.16390  1    107.17996  1    234.72364  1    19  18   3    0.08160
 H       1.00174  1    151.60104  1    345.98420  1    18   3   2    0.16130
 H       1.00167  1     91.56197  1    204.75606  1    18   3   2    0.16640
 N      11.18390  0     45.95169  0    335.35266  0     3   2   1   -0.33380
 C       1.48474  0    109.83433  0    318.64400  0    70   3   2   -0.10010
 C       1.54617  0    110.48582  0    112.74304  0    71  70   3    0.20060
 O       1.23698  0    121.33134  0    141.68350  0    72  71  70   -0.32690
 H       1.11006  1    116.32866  1    319.85991  1    72  71  70    0.10390
 C       1.52962  1    116.52280  1    351.16014  1    71  70   3   -0.15220
 C       1.48737  1    115.98330  1    287.44392  1    75  71  70   -0.07060
 C       1.39711  1    124.06104  1    353.06331  1    76  75  71   -0.13700
 C       1.39528  1    120.30646  1    180.19790  1    77  76  75   -0.13230
 C       1.39123  1    120.40365  1      0.52789  1    78  77  76   -0.13700
 C       1.39621  1    119.62212  1      0.03609  1    79  78  77   -0.12980
 C       1.39098  1    120.10666  1    359.28432  1    80  79  78   -0.12160
 H       1.10415  1    119.76862  1    181.97038  1    81  80  79    0.15450
 H       1.10250  1    120.07869  1    179.59392  1    80  79  78    0.14130
 H       1.10132  1    120.40690  1    181.26509  1    79  78  77    0.13430
 H       1.09976  1    119.73897  1    181.33474  1    78  77  76    0.12540
 H       1.09949  1    121.04507  1      0.91517  1    77  76  75    0.12980
 H       1.12624  1    109.31311  1     51.22966  1    75  71  70    0.10850
 H       1.12683  1    107.80325  1    166.95633  1    75  71  70    0.09670
 H       1.12893  1    106.54345  1    228.87581  1    71  70   3    0.11580
 H       1.00535  1     61.14210  1    217.48773  1    70   3   2    0.17670
 H       1.00426  1     49.06706  1     57.48229  1    70   3   2    0.14860
 N      16.98887  0     78.77108  0    276.65240  0     3   2   1   -0.32980
 C       1.47352  0     50.04108  0    198.47436  0    92   3   2   -0.10270
 C       1.54084  0    112.94709  0     70.56927  0    93  92   3    0.19550
 O       1.24033  0    121.30901  0    176.74567  0    94  93  92   -0.30060
 H       1.10989  1    116.97484  1    356.96330  1    94  93  92    0.10120
 C       1.54820  1    112.69344  1    309.37454  1    93  92   3   -0.15480
 C       1.49039  1    110.46659  1     48.88946  1    97  93  92   -0.06560
 C       1.40043  1    120.58801  1     85.34695  1    98  97  93   -0.13060
 C       1.39370  1    120.34032  1    182.38386  1    99  98  97   -0.12150
 C       1.39519  1    120.14409  1    359.26360  1   100  99  98   -0.13460
 C       1.39683  1    119.80279  1    359.79835  1   101 100  99   -0.13210
 C       1.39395  1    120.12949  1      0.67189  1   102 101 100   -0.14070
 H       1.09980  1    119.97054  1    180.97996  1   103 102 101    0.12170
 H       1.09919  1    119.96472  1    181.33628  1   102 101 100    0.11990
 H       1.09959  1    119.93982  1    180.52899  1   101 100  99    0.13260
 H       1.10212  1    119.79800  1    179.96400  1   100  99  98    0.14280
 H       1.10229  1    119.61611  1      2.98512  1    99  98  97    0.14400
 H       1.12363  1    109.65777  1    170.64642  1    97  93  92    0.13760
 H       1.12097  1    109.63961  1    287.42829  1    97  93  92    0.10540
 H       1.12707  1    107.65624  1    189.09417  1    93  92   3    0.12830
 H       1.00270  1    112.43059  1    103.07053  1    92   3   2    0.14020
 H       1.00381  1     60.58898  1      4.44653  1    92   3   2    0.14400
 N      17.89408  0     97.90475  0    267.28960  0     3   2   1   -0.29160
 C       1.43736  0    110.29372  0    222.59590  0   114   3   2   -0.11560
 C       1.49667  0    113.30282  0     44.24659  0   115 114   3    0.18400
 O       1.21152  0    117.76296  0    341.83825  0   116 115 114   -0.30420
 H       1.10998  1    117.48338  1    162.19583  1   116 115 114    0.11180
 C       1.55146  1    110.03638  1    279.60138  1   115 114   3   -0.17250
 C       1.52270  1    105.33792  1    359.28140  1   119 115 114   -0.17510
 C       1.53713  1    105.92037  1    355.96944  1   120 119 115   -0.09080
 H       1.12263  1    110.78722  1    130.90601  1   121 120 119    0.08460
 H       1.12442  1    110.14168  1    249.97351  1   121 120 119    0.07030
 H       1.11803  1    110.68623  1    116.03717  1   120 119 115    0.11000
 H       1.11626  1    111.18355  1    235.71972  1   120 119 115    0.07680
 H       1.12269  1    112.38920  1    120.62186  1   119 115 114    0.16060
 H       1.11651  1    109.63359  1    239.52288  1   119 115 114    0.08790
 H       1.13358  1    106.59716  1    162.34808  1   115 114   3    0.09360
 H       1.00621  1     33.35459  1    321.80804  1   114   3   2    0.16850
 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   -0.06970
 C       1.54573  0    115.39702  0    325.30114  0   131 130   3    0.17890
 O       1.21650  0    121.78862  0    193.10814  0   132 131 130   -0.30740
 H       1.11459  1    116.15001  1     14.23604  1   132 131 130    0.07640
 C       1.53321  1    113.32395  1    196.41691  1   131 130   3   -0.22380
 C       1.53511  1    116.81221  1     35.70292  1   135 131 130    0.33300
 O       1.27007  1    120.17805  1     26.49507  1   136 135 131   -0.61220
 O       1.26465  1    117.20317  1    206.37181  1   136 135 131   -0.57910
 H       1.12037  1    108.86849  1    157.41497  1   135 131 130    0.10050
 H       1.12028  1    108.22906  1    274.42172  1   135 131 130    0.07400
 H       1.13635  1    105.59628  1     78.83535  1   131 130   3    0.07980
 H       1.00629  1    134.26047  1    101.41143  1   130   3   2    0.18210
 H       1.00381  1     56.35583  1     18.03821  1   130   3   2    0.12040
 N      12.50007  0     97.91996  0    261.63373  0     3   2   1   -0.33560
 C       1.44534  0     57.31406  0    322.50817  0   144   3   2   -0.08810
 C       1.53835  0    116.53274  0    230.26398  0   145 144   3    0.19570
 O       1.24316  0    120.46732  0    146.99107  0   146 145 144   -0.30730
 H       1.10866  1    117.20884  1    326.30266  1   146 145 144    0.09920
 C       1.55054  1    113.73361  1    105.50700  1   145 144   3   -0.15920
 C       1.48729  1    113.78666  1    184.45409  1   149 145 144   -0.07750
 C       1.40081  1    120.67356  1     69.36611  1   150 149 145   -0.12990
 C       1.39422  1    120.49128  1    178.70295  1   151 150 149   -0.12570
 C       1.39531  1    120.08825  1      0.44016  1   152 151 150   -0.14310
 C       1.39473  1    119.72075  1    358.85483  1   153 152 151   -0.13790
 C       1.39373  1    120.23803  1      0.65667  1   154 153 152   -0.13290
 H       1.09959  1    119.85127  1    180.50036  1   155 154 153    0.11890
 H       1.09915  1    119.89428  1    180.75358  1   154 153 152    0.11730
 H       1.10247  1    119.82293  1    179.22800  1   153 152 151    0.14380
 H       1.10688  1    119.84909  1    181.77758  1   152 151 150    0.16880
 H       1.10254  1    120.00751  1    358.24027  1   151 150 149    0.14720
 H       1.12580  1    107.99266  1    304.78530  1   149 145 144    0.09750
 H       1.12369  1    109.12118  1     60.78120  1   149 145 144    0.10070
 H       1.13698  1    105.83396  1    348.55499  1   145 144   3    0.12430
 H       1.00148  1     74.95785  1     89.20053  1   144   3   2    0.17190
 H       1.00190  1    168.22750  1    336.94879  1   144   3   2    0.15000
 N      10.94337  0    106.51163  0    240.89105  0     3   2   1   -0.33940
 C       1.46213  0     14.86456  0    265.09140  0   166   3   2   -0.09390
 C       1.54890  0    109.51012  0    131.27165  0   167 166   3    0.22330
 O       1.23101  0    125.00583  0    126.76891  0   168 167 166   -0.33650
 H       1.11409  1    113.70702  1    304.90651  1   168 167 166    0.09770
 C       1.54534  1    110.75432  1     11.50907  1   167 166   3   -0.11710
 C       1.46168  1    118.21772  1    163.14331  1   171 167 166   -0.21960
 C       1.40565  1    125.40167  1    255.76652  1   172 171 167   -0.08350
 N       1.38698  1    111.03702  1    189.67149  1   173 172 171   -0.19660
 C       1.39777  1    107.40793  1      2.54682  1   174 173 172   -0.01630
 C       1.44980  1    108.79832  1    357.32662  1   175 174 173   -0.07250
 C       1.39601  1    119.65094  1    179.36609  1   176 175 174   -0.10960
 C       1.38423  1    119.12551  1    359.54771  1   177 176 175   -0.16210
 C       1.40753  1    121.10237  1      0.18060  1   178 177 176   -0.14690
 C       1.38447  1    121.60139  1      0.53148  1   179 178 177   -0.11920
 H       1.10022  1    120.52313  1    180.39475  1   180 179 178    0.15240
 H       1.10275  1    119.88573  1    182.42125  1   179 178 177    0.14000
 H       1.09964  1    119.78526  1    181.80864  1   178 177 176    0.11340
 H       1.09926  1    119.99662  1    181.36965  1   177 176 175    0.12650
 H       1.03542  1    124.07360  1    164.07212  1   174 173 172    0.32070
 H       1.09444  1    128.47788  1      8.44058  1   173 172 171    0.16320
 H       1.12745  1    106.75057  1    285.51936  1   171 167 166    0.10330
 H       1.12901  1    108.28891  1     40.51890  1   171 167 166    0.08610
 H       1.12568  1    108.80693  1    250.47579  1   167 166   3    0.11270
 H       1.00291  1     99.27314  1    133.21508  1   166   3   2    0.15670
 H       1.00424  1    103.75249  1     21.33574  1   166   3   2    0.14770
 N      10.01719  0    101.54687  0    205.40459  0     3   2   1   -0.33380
 C       1.44716  0     60.44593  0    312.77637  0   192   3   2   -0.06400
 C       1.51484  0    114.54894  0    162.40538  0   193 192   3    0.32130
 O       1.23614  0    116.70478  0    115.46584  0   194 193 192   -0.39300
 N       1.35879  0    120.55811  0    294.85307  0   194 193 192   -0.36900
 C       1.46169  0    117.94215  0    183.10701  0   196 194 193   -0.04670
 C       1.50738  0    120.92050  0    281.62350  0   197 196 194    0.19530
 O       1.23358  0    117.93172  0    174.66855  0   198 197 196   -0.31830
 H       1.10894  1    119.03287  1    356.07835  1   198 197 196    0.10430
 C       1.55418  1    111.13588  1    154.34453  1   197 196 194   -0.11160
 C       1.51213  1    111.35181  1    298.88514  1   201 197 196   -0.21000
 H       1.11728  1    111.55897  1     69.37028  1   202 201 197    0.08600
 H       1.11726  1    109.76130  1    189.06225  1   202 201 197    0.07420
 H       1.11678  1    110.56718  1    308.80237  1   202 201 197    0.08620
 C       1.51253  1    112.00559  1     63.77841  1   201 197 196   -0.21260
 H       1.11701  1    110.42731  1     48.67681  1   206 201 197    0.06650
 H       1.11724  1    109.77992  1    168.32025  1   206 201 197    0.07640
 H       1.11676  1    111.63320  1    287.74088  1   206 201 197    0.08170
 H       1.12921  1    105.72075  1    181.68689  1   201 197 196    0.10600
 H       1.14246  1    105.46400  1     39.00609  1   197 196 194    0.14160
 H       0.98851  1    122.50383  1      3.23616  1   196 194 193    0.24610
 C       1.54230  1    116.49578  1     34.23091  1   193 192   3   -0.19500
 C       1.52282  1    112.19397  1    273.79270  1   213 193 192   -0.10550
 C       1.51638  1    110.05200  1    167.10628  1   214 213 193   -0.22850
 H       1.11992  1    110.94000  1     67.39401  1   215 214 213    0.11020
 H       1.11765  1    110.06997  1    186.35539  1   215 214 213    0.08420
 H       1.11659  1    110.77716  1    305.85816  1   215 214 213    0.08440
 C       1.51566  1    111.91740  1    288.63101  1   214 213 193   -0.20690
 H       1.11571  1    111.52113  1     63.20432  1   219 214 213    0.05030
 H       1.11712  1    109.70116  1    183.24317  1   219 214 213    0.07880
 H       1.11727  1    110.37456  1    302.24165  1   219 214 213    0.09120
 H       1.12918  1    108.32037  1     48.73526  1   214 213 193    0.07960
 H       1.12310  1    109.86992  1     35.30500  1   213 193 192    0.09390
 H       1.12163  1    109.65960  1    153.09241  1   213 193 192    0.09440
 H       1.13991  1    105.37505  1    275.78933  1   193 192   3    0.13010
 H       1.00549  1     58.83803  1    171.59374  1   192   3   2    0.16260
 H       1.00496  1     94.50278  1     64.01667  1   192   3   2    0.14600
 N      11.18833  0    145.22708  0    179.37926  0     3   2   1   -0.32630
 C       1.47538  0     38.91567  0     92.42374  0   229   3   2   -0.11160
 C       1.53156  0    110.85889  0     76.62987  0   230 229   3    0.20290
 O       1.23608  0    120.93801  0    131.97322  0   231 230 229   -0.28450
 H       1.10946  1    116.59626  1    310.93576  1   231 230 229    0.09060
 C       1.54127  1    114.12435  1    314.63095  1   230 229   3   -0.14310
 C       1.48776  1    112.64566  1    213.24053  1   234 230 229   -0.09920
 C       1.39832  1    120.42706  1    248.69425  1   235 234 230   -0.11890
 C       1.39493  1    120.23295  1    181.40842  1   236 235 234   -0.11950
 C       1.39515  1    120.13372  1      0.26792  1   237 236 235   -0.14380
 C       1.39611  1    119.80914  1    359.75056  1   238 237 236   -0.13740
 C       1.39351  1    120.13308  1    359.94012  1   239 238 237   -0.13260
 H       1.09923  1    119.98574  1    180.23662  1   240 239 238    0.11420
 H       1.10022  1    119.91549  1    179.59803  1   239 238 237    0.13370
 H       1.10529  1    119.64513  1    178.81725  1   238 237 236    0.17210
 H       1.10670  1    119.90660  1    180.92310  1   237 236 235    0.17810
 H       1.10053  1    120.26613  1      1.46374  1   236 235 234    0.13740
 H       1.12583  1    109.51368  1    333.60411  1   234 230 229    0.08330
 H       1.12259  1    109.56599  1     90.28801  1   234 230 229    0.09020
 H       1.13051  1    106.77250  1    194.26906  1   230 229   3    0.14050
 H       1.00138  1    117.03070  1      5.65236  1   229   3   2    0.14460
 H       1.00175  1     71.29635  1    263.97218  1   229   3   2    0.13110
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32300
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11460
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19440
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.29960
 H       1.11132  1    116.73565  1    348.17100  1   253 252 251    0.08020
 C       1.53814  1    115.36471  1    337.57966  1   252 251   3   -0.10310
 C       1.46965  1    109.05932  1    291.96085  1   256 252 251   -0.17040
 C       1.39148  1    127.58548  1    104.21435  1   257 256 252   -0.07650
 N       1.40251  1    110.56259  1    185.28585  1   258 257 256   -0.20430
 C       1.40636  1    107.60147  1    354.88870  1   259 258 257   -0.02450
 C       1.44409  1    108.23015  1      4.60941  1   260 259 258   -0.07260
 C       1.39429  1    119.56354  1    177.60192  1   261 260 259   -0.09530
 C       1.38786  1    118.84139  1    359.81347  1   262 261 260   -0.14040
 C       1.40558  1    121.37073  1      0.21046  1   263 262 261   -0.10250
 C       1.38844  1    121.47294  1    359.86284  1   264 263 262   -0.15850
 H       1.09822  1    121.15806  1    179.58993  1   265 264 263    0.13210
 H       1.10413  1    118.53023  1    180.05741  1   264 263 262    0.15960
 H       1.10085  1    119.84272  1    179.14039  1   263 262 261    0.14320
 H       1.09991  1    120.12896  1    179.05484  1   262 261 260    0.13840
 H       0.99032  1    122.29041  1    203.90885  1   259 258 257    0.23820
 H       1.09401  1    129.18844  1      2.24599  1   258 257 256    0.16730
 H       1.12109  1    110.67228  1     54.23923  1   256 252 251    0.08130
 H       1.12452  1    108.39293  1    172.47974  1   256 252 251    0.11840
 H       1.14161  1    105.23550  1    221.43294  1   252 251   3    0.13280
 H       1.00485  1     89.68559  1    321.27855  1   251   3   2    0.16670
 H       1.00381  1     60.77936  1    211.04685  1   251   3   2    0.12900
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34340
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04130
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.33170
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41720
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.30550
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.03980
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19610
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.33280
 H       1.11055  1    116.98704  1    314.99931  1   283 282 281    0.08630
 C       1.54299  1    107.48411  1    182.72674  1   282 281 279   -0.15480
 C       1.52554  1    105.72875  1    351.15013  1   286 282 281   -0.16640
 C       1.53921  1    106.62108  1     11.21341  1   287 286 282   -0.04270
 H       1.12539  1    109.53623  1    109.02387  1   288 287 286    0.06360
 H       1.13317  1    111.03602  1    229.24147  1   288 287 286    0.18240
 H       1.11701  1    111.27249  1    131.89149  1   287 286 282    0.06910
 H       1.12010  1    110.61114  1    252.01371  1   287 286 282    0.12160
 H       1.11745  1    110.84390  1    111.73328  1   286 282 281    0.06410
 H       1.11786  1    109.47193  1    231.21514  1   286 282 281    0.11280
 H       1.13702  1    109.29542  1     63.34653  1   282 281 279    0.16520
 C       1.54593  1    114.93819  1    333.41210  1   278 277   3   -0.19020
 C       1.48954  1    111.02653  1    303.93694  1   296 278 277   -0.07050
 C       1.40089  1    120.65996  1    299.56131  1   297 296 278   -0.14140
 C       1.39360  1    120.41526  1    180.14204  1   298 297 296   -0.15290
 C       1.39454  1    120.04717  1      0.35640  1   299 298 297   -0.16180
 C       1.39430  1    119.76009  1      0.28620  1   300 299 298   -0.13590
 C       1.39493  1    120.48875  1    359.48167  1   301 300 299   -0.10110
 H       1.11409  1    120.16120  1    178.71356  1   302 301 300    0.22040
 H       1.09963  1    120.25099  1    178.75726  1   301 300 299    0.12720
 H       1.09831  1    119.99645  1    179.63264  1   300 299 298    0.10190
 H       1.09851  1    119.81314  1    179.73457  1   299 298 297    0.10520
 H       1.10040  1    119.72875  1    359.04447  1   298 297 296    0.13160
 H       1.12941  1    110.24794  1     65.87952  1   296 278 277    0.16310
 H       1.12064  1    108.40359  1    183.91731  1   296 278 277    0.11560
 H       1.14012  1    106.15619  1    215.85986  1   278 277   3    0.11270
 H       1.00458  1     97.51084  1    302.47836  1   277   3   2    0.14950
 H       1.00545  1     60.67849  1    196.23435  1   277   3   2    0.15410
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.33710
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09400
 C       1.53380  0    108.58586  0    148.98325  0   314 313   3    0.20040
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.32170
 H       1.11533  1    115.11723  1    317.51652  1   315 314 313    0.08280
 C       1.54314  1    117.45457  1     26.95896  1   314 313   3   -0.13560
 C       1.51560  1    109.94974  1    189.25246  1   318 314 313   -0.21290
 H       1.11729  1    110.37917  1     66.98924  1   319 318 314    0.07020
 H       1.11771  1    109.94684  1    186.37450  1   319 318 314    0.08010
 H       1.11683  1    111.00499  1    306.62855  1   319 318 314    0.07290
 C       1.51268  1    111.41436  1    310.93336  1   318 314 313   -0.22830
 H       1.11992  1    111.22742  1     71.66124  1   323 318 314    0.09940
 H       1.12023  1    110.24880  1    190.19619  1   323 318 314    0.10820
 H       1.11740  1    110.80167  1    310.45980  1   323 318 314    0.07080
 H       1.12748  1    108.40208  1     70.03063  1   318 314 313    0.10100
 H       1.12970  1    106.31354  1    266.31326  1   314 313   3    0.11910
 H       1.00345  1     20.23841  1    345.21973  1   313   3   2    0.17410
 H       1.00267  1    101.29097  1    233.98448  1   313   3   2    0.14430
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.32450
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.08230
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.14330
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33450
 H       1.11039  1    115.52844  1    133.34942  1   333 332 331    0.11750
 C       1.53071  1    109.29216  1     59.28668  1   332 331   3   -0.19920
 C       1.51113  1    115.26840  1    186.58398  1   336 332 331    0.30640
 O       1.26828  1    122.35538  1     17.98776  1   337 336 332   -0.59340
 O       1.27319  1    117.26204  1    196.57825  1   337 336 332   -0.59110
 H       1.12381  1    108.79412  1    305.77270  1   336 332 331    0.11520
 H       1.12155  1    109.86580  1     63.89895  1   336 332 331    0.08490
 H       1.12746  1    109.51543  1    300.02957  1   332 331   3    0.14620
 H       1.00291  1    119.78770  1     30.55319  1   331   3   2    0.13700
 H       1.00196  1    128.15755  1    235.28692  1   331   3   2    0.12190
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36590
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02740
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.27980
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.42150
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36750
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04430
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19640
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29630
 H       1.10276  1    120.65824  1     53.58130  1   351 350 349    0.11040
 C       1.54963  1    109.60003  1    113.53880  1   350 349 347   -0.15590
 C       1.52091  1    113.59794  1    294.25418  1   354 350 349   -0.11300
 C       1.51662  1    109.40727  1    167.33154  1   355 354 350   -0.20780
 H       1.11647  1    110.57786  1     55.32897  1   356 355 354    0.06260
 H       1.11777  1    110.53236  1    175.35366  1   356 355 354    0.06630
 H       1.11728  1    110.36205  1    295.30186  1   356 355 354    0.08410
 C       1.51473  1    111.43648  1    289.36182  1   355 354 350   -0.21040
 H       1.11731  1    110.43308  1     64.47429  1   360 355 354    0.08390
 H       1.11787  1    110.36867  1    183.74729  1   360 355 354    0.06810
 H       1.11672  1    110.69059  1    303.84149  1   360 355 354    0.05280
 H       1.12708  1    109.62592  1     49.09182  1   355 354 350    0.09890
 H       1.12336  1    108.33261  1     57.01959  1   354 350 349    0.12380
 H       1.12156  1    108.85422  1    173.45866  1   354 350 349    0.08470
 H       1.13996  1    106.40884  1    358.10279  1   350 349 347    0.10810
 H       1.00294  1    121.58219  1    359.94397  1   349 347 346    0.28450
 C       1.53904  1    113.62527  1    354.35053  1   346 345   3   -0.17630
 C       1.52176  1    113.94423  1    303.11388  1   369 346 345   -0.09740
 C       1.51807  1    112.78098  1     84.15393  1   370 369 346   -0.22040
 H       1.11924  1    111.68743  1     25.02299  1   371 370 369    0.10870
 H       1.11763  1    110.36508  1    145.50525  1   371 370 369    0.07170
 H       1.11692  1    110.55636  1    264.72209  1   371 370 369    0.08350
 C       1.51709  1    109.30223  1    206.73277  1   370 369 346   -0.21150
 H       1.11819  1    110.60880  1     50.80925  1   375 370 369    0.05530
 H       1.11849  1    110.47059  1    171.17695  1   375 370 369    0.07410
 H       1.11701  1    110.40272  1    290.84155  1   375 370 369    0.08690
 H       1.12397  1    108.15864  1    324.62567  1   370 369 346    0.07630
 H       1.12317  1    110.40089  1     65.24554  1   369 346 345    0.10350
 H       1.12328  1    106.91819  1    181.76469  1   369 346 345    0.08040
 H       1.13122  1    106.83320  1    234.35890  1   346 345   3    0.10830
 H       1.00568  1     43.49490  1    154.74499  1   345   3   2    0.20120
 H       1.00056  1    139.10034  1     94.00801  1   345   3   2    0.13880
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34850
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.05860
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27840
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.36790
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.36200
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04590
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.17980
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31310
 H       1.10946  1    115.97734  1     81.67927  1   391 390 389    0.10710
 C       1.53160  1    113.67420  1    147.01441  1   390 389 387   -0.12860
 C       1.48693  1    113.65129  1    304.27532  1   394 390 389   -0.10020
 C       1.40114  1    121.38798  1    310.63545  1   395 394 390   -0.12780
 C       1.39519  1    120.59069  1    179.75280  1   396 395 394   -0.10530
 C       1.39550  1    119.76240  1      0.07304  1   397 396 395   -0.11300
 C       1.39419  1    120.00037  1      0.24140  1   398 397 396   -0.15650
 C       1.39343  1    120.19041  1    359.58741  1   399 398 397   -0.13640
 H       1.09938  1    119.84392  1    180.75537  1   400 399 398    0.11540
 H       1.09964  1    119.97939  1    180.69930  1   399 398 397    0.11620
 H       1.10138  1    119.59094  1    181.68401  1   398 397 396    0.14370
 H       1.11033  1    120.36726  1    181.04116  1   397 396 395    0.19820
 H       1.10072  1    120.10827  1      0.35915  1   396 395 394    0.13610
 H       1.12376  1    109.13496  1     67.80763  1   394 390 389    0.10010
 H       1.12395  1    107.06100  1    183.44265  1   394 390 389    0.09380
 H       1.13393  1    107.75092  1     25.97794  1   390 389 387    0.13650
 H       0.99675  1    121.67333  1    346.70650  1   389 387 386    0.23720
 C       1.53749  1    110.38138  1    313.01450  1   386 385   3   -0.08280
 C       1.47032  1    110.60858  1    187.67033  1   410 386 385   -0.12970
 N       1.39562  1    124.34970  1     85.45097  1   411 410 386   -0.15290
 C       1.38965  1    106.66740  1    183.68061  1   412 411 410   -0.10900
 N       1.35635  1    111.52715  1    359.07595  1   413 412 411   -0.17780
 C       1.38569  1    105.91764  1      0.12984  1   414 413 412   -0.19520
 H       1.09027  1    122.00861  1    181.27124  1   415 414 413    0.16840
 H       1.09368  1    123.23907  1    180.11555  1   413 412 411    0.18950
 H       1.00194  1    125.11302  1    357.46028  1   412 411 410    0.31010
 H       1.13013  1    107.95583  1    307.96664  1   410 386 385    0.14800
 H       1.12144  1    110.51237  1     66.48977  1   410 386 385    0.08240
 H       1.13337  1    106.78120  1    195.49749  1   386 385   3    0.16700
 H       0.99883  1     71.05498  1    196.18043  1   385   3   2    0.14230
 H       0.99756  1    123.71958  1     93.90846  1   385   3   2    0.13970
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.42020
 H       0.96453  1     62.36819  1    300.39332  1   424   3   2    0.21510
 H       0.96035  1    163.92679  1    275.64490  1   424   3   2    0.20000

