


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.32840
 C       1.46622  0      0.00000  0      0.00000  0     1   0   0   -0.06360
 C       1.50739  0    114.62350  0      0.00000  0     2   1   0    0.14580
 O       1.25884  0    120.97328  0    314.84163  0     3   2   1   -0.27140
 H       1.10712  1    117.16556  1    136.00190  1     3   2   1    0.09850
 C       1.54349  1    107.91520  1     80.18117  1     2   3   4   -0.21000
 C       1.51167  1    112.35228  1     50.48650  1     6   2   3    0.29510
 O       1.25573  1    122.24475  1     59.23119  1     7   6   2   -0.43520
 N       1.36881  1    118.02535  1    236.08010  1     7   6   2   -0.42580
 H       0.99135  1    120.05477  1    174.94137  1     9   7   6    0.22120
 H       0.99429  1    120.79751  1      8.11625  1     9   7   6    0.24480
 H       1.12467  1    109.21738  1    168.90549  1     6   2   3    0.12330
 H       1.12632  1    108.65408  1    286.30574  1     6   2   3    0.13650
 H       1.13172  1    108.05447  1    196.54133  1     2   3   4    0.10390
 H       1.00524  1    110.36899  1    130.92247  1     1   2   3    0.16700
 H       1.00929  1    110.32450  1     13.60367  1     1   2   3    0.18770
 N       8.13001  0     73.66202  0    343.54714  0     3   2   1   -0.32660
 C       1.48397  0     48.33677  0    297.43069  0    17   3   2   -0.04480
 C       1.51580  0    111.83594  0    112.36719  0    18  17   3    0.31980
 O       1.23774  0    120.30369  0     51.63594  0    19  18  17   -0.44310
 N       1.33961  0    119.92046  0    231.94090  0    19  18  17   -0.36710
 C       1.47286  0    117.08269  0    178.99812  0    21  19  18   -0.04540
 C       1.50006  0    112.06490  0    290.64119  0    22  21  19    0.19870
 O       1.22392  0    118.76948  0    161.61124  0    23  22  21   -0.32330
 H       1.11185  1    118.64770  1    342.93326  1    23  22  21    0.10010
 C       1.54118  1    112.60309  1    167.05450  1    22  21  19   -0.07850
 C       1.46666  1    111.75828  1    270.13907  1    26  22  21   -0.17590
 C       1.39806  1    127.16976  1     76.08360  1    27  26  22   -0.04580
 N       1.39623  1    109.86353  1    177.87703  1    28  27  26   -0.20970
 C       1.39746  1    108.55561  1    359.88323  1    29  28  27   -0.01620
 C       1.44747  1    108.05161  1      0.96506  1    30  29  28   -0.07230
 C       1.39580  1    119.40390  1    178.38898  1    31  30  29   -0.08790
 C       1.38700  1    118.94454  1      0.81396  1    32  31  30   -0.16790
 C       1.40647  1    121.33752  1      0.39952  1    33  32  31   -0.14230
 C       1.38585  1    121.60635  1    359.43607  1    34  33  32   -0.13120
 H       1.09953  1    121.48927  1    178.46308  1    35  34  33    0.15010
 H       1.09957  1    119.11053  1    179.50135  1    34  33  32    0.11600
 H       1.09899  1    119.70842  1    180.42194  1    33  32  31    0.10690
 H       1.09950  1    119.94055  1    181.27748  1    32  31  30    0.13360
 H       0.98718  1    126.35794  1    182.36140  1    29  28  27    0.25690
 H       1.10157  1    128.37295  1    356.42334  1    28  27  26    0.21500
 H       1.12453  1    110.65214  1     32.96400  1    26  22  21    0.09900
 H       1.12503  1    108.01308  1    150.35535  1    26  22  21    0.09180
 H       1.13634  1    107.45894  1     47.75853  1    22  21  19    0.14380
 H       0.99821  1    124.97981  1    358.85784  1    21  19  18    0.28310
 C       1.52763  1    112.49449  1    341.76646  1    18  17   3   -0.22330
 C       1.53000  1    112.09083  1    185.53762  1    46  18  17    0.31710
 O       1.26209  1    122.43811  1     59.00083  1    47  46  18   -0.54630
 C       2.56988  0    103.87107  1    163.56615  1    48  47  46   -0.06010
Cl       1.81728  1    162.72829  1    112.55984  1    49  48  47   -0.29800
 H       1.11402  1     61.50260  1    155.43662  1    49  48  47    0.13360
 H       1.11720  1     73.06959  1     28.51551  1    49  48  47    0.16040
 C       1.50415  1     85.44966  1    274.07173  1    49  48  47   -0.15940
 H       1.12277  1    110.58799  1    142.58456  1    53  49  48    0.06100
 C       1.51363  1    112.34095  1    266.72281  1    53  49  48   -0.17260
 H       1.12278  1    108.67047  1     69.58771  1    55  53  49    0.10880
 H       1.12447  1    109.64663  1    312.62501  1    55  53  49    0.05430
 C       1.50640  1    111.91645  1    190.87687  1    55  53  49   -0.22480
 H       1.11766  1    110.55047  1    297.47371  1    58  55  53    0.10660
 H       1.11707  1    110.39831  1    177.52025  1    58  55  53    0.07600
 H       1.11934  1    111.06855  1     57.22335  1    58  55  53    0.04560
 H       1.12891  1    106.65536  1     26.41630  1    53  49  48    0.15740
 O       1.28165  1    117.04025  1    239.65764  1    47  46  18   -0.65790
 H       1.12109  1    108.24867  1    304.33678  1    46  18  17    0.11630
 H       1.11979  1    111.49579  1     62.81410  1    46  18  17    0.09410
 H       1.14352  1    109.52994  1    225.88461  1    18  17   3    0.09410
 H       1.00207  1    155.03343  1    318.52327  1    17   3   2    0.13710
 H       1.00355  1     88.88274  1    182.43338  1    17   3   2    0.16040
 N      12.39849  0     94.35127  0    340.03018  0     3   2   1   -0.32830
 C       1.46232  0     47.10766  0    254.76067  0    69   3   2   -0.12810
 C       1.52242  0    109.96185  0     63.74052  0    70  69   3    0.19810
 O       1.22259  0    122.70647  0    243.71115  0    71  70  69   -0.30090
 H       1.11326  1    115.13487  1     64.71687  1    71  70  69    0.09150
 C       1.53523  1    113.26527  1    299.47397  1    70  69   3   -0.16810
 C       1.51176  1    111.43628  1    282.58500  1    74  70  69   -0.21120
 C       1.52015  1    109.78794  1    282.84314  1    75  74  70    0.31880
 O       1.27882  1    117.96986  1    274.57318  1    76  75  74   -0.63240
 O       1.26347  1    121.61443  1     93.15460  1    76  75  74   -0.56870
 H       1.11818  1    111.28582  1     44.58269  1    75  74  70    0.06240
 H       1.12256  1    108.71956  1    163.99743  1    75  74  70    0.10250
 H       1.12150  1    110.38229  1     45.25243  1    74  70  69    0.08260
 H       1.12142  1    108.76532  1    161.58451  1    74  70  69    0.10980
 H       1.13587  1    107.96952  1    180.28575  1    70  69   3    0.15170
 H       1.00244  1    132.72527  1    180.11705  1    69   3   2    0.14620
 H       1.00271  1     63.65831  1     89.14680  1    69   3   2    0.13030
 N      11.56490  0     68.79739  0    322.18196  0     3   2   1   -0.33730
 C       1.46852  0    110.47555  0    288.43467  0    86   3   2   -0.09380
 C       1.52995  0    105.15846  0    155.37265  0    87  86   3    0.20240
 O       1.22685  0    122.41819  0    269.57918  0    88  87  86   -0.30280
 H       1.11133  1    115.29664  1     88.31327  1    88  87  86    0.08140
 C       1.54122  1    117.03475  1     32.75359  1    87  86   3   -0.12820
 C       1.52041  1    111.25714  1    312.05291  1    91  87  86   -0.16580
 C       1.50722  1    112.60626  1    184.37551  1    92  91  87   -0.20640
 H       1.11798  1    111.02136  1     69.51162  1    93  92  91    0.05400
 H       1.11834  1    109.87765  1    189.24072  1    93  92  91    0.09520
 H       1.11680  1    110.71887  1    309.00248  1    93  92  91    0.07230
 H       1.12255  1    109.70544  1    306.38337  1    92  91  87    0.08320
 H       1.12529  1    109.38600  1     64.02038  1    92  91  87    0.10240
 C       1.51457  1    108.86507  1    188.59534  1    91  87  86   -0.20330
 H       1.11675  1    110.76113  1     68.99742  1    99  91  87    0.06750
 H       1.11673  1    110.23693  1    188.98920  1    99  91  87    0.07740
 H       1.11753  1    110.22609  1    308.60167  1    99  91  87    0.06110
 H       1.12774  1    108.04773  1     70.70981  1    91  87  86    0.10950
 H       1.12950  1    107.47183  1    270.85612  1    87  86   3    0.10540
 H       1.00364  1     38.21526  1    193.15040  1    86   3   2    0.16100
 H       1.00353  1     72.61128  1     33.74599  1    86   3   2    0.16370
 N      16.87794  0     96.95425  0    285.61404  0     3   2   1   -0.32300
 C       1.46663  0     27.17430  0    209.52028  0   107   3   2   -0.06570
 C       1.52471  0    108.13509  0    213.77101  0   108 107   3    0.28240
 O       1.23815  0    116.57639  0    317.15529  0   109 108 107   -0.43380
 N       1.32775  0    118.30977  0    135.45248  0   109 108 107   -0.28530
 C       1.47342  0    117.86350  0    184.47984  0   111 109 108   -0.04370
 C       1.52829  0    110.25216  0    303.63816  0   112 111 109    0.18170
 O       1.23221  0    122.94278  0    317.80146  0   113 112 111   -0.29160
 H       1.11133  1    114.75640  1    138.73806  1   113 112 111    0.09770
 C       1.54170  1    106.76908  1    183.46056  1   112 111 109   -0.15320
 C       1.52688  1    106.37633  1      6.56396  1   116 112 111   -0.17600
 C       1.53777  1    106.95364  1    350.50237  1   117 116 112   -0.01280
 H       1.12587  1    111.25112  1    129.12137  1   118 117 116    0.09960
 H       1.12646  1    110.30211  1    249.95468  1   118 117 116    0.09550
 H       1.11861  1    110.56496  1    110.75404  1   117 116 112    0.11720
 H       1.12006  1    110.54076  1    230.93549  1   117 116 112    0.12440
 H       1.11804  1    110.98207  1    127.10674  1   116 112 111    0.10700
 H       1.11834  1    109.70967  1    247.16182  1   116 112 111    0.10790
 H       1.12539  1    108.81953  1     62.93351  1   112 111 109    0.11270
 C       1.54171  1    112.18390  1     93.52416  1   108 107   3   -0.11350
 C       1.48729  1    111.20794  1    225.84242  1   126 108 107   -0.09680
 C       1.40036  1    119.78794  1     76.74026  1   127 126 108   -0.11950
 C       1.39268  1    120.22181  1    179.62677  1   128 127 126   -0.14430
 C       1.39507  1    120.10750  1    359.97605  1   129 128 127   -0.12970
 C       1.39435  1    119.87268  1      0.06544  1   130 129 128   -0.13060
 C       1.39426  1    120.20117  1    359.95676  1   131 130 129   -0.11510
 H       1.10123  1    119.87186  1    179.34263  1   132 131 130    0.14480
 H       1.10291  1    119.89784  1    180.09092  1   131 130 129    0.14250
 H       1.10121  1    120.04800  1    179.87272  1   130 129 128    0.13800
 H       1.09982  1    120.00446  1    179.60485  1   129 128 127    0.12670
 H       1.10006  1    119.59696  1    359.19506  1   128 127 126    0.13230
 H       1.12398  1    110.01207  1    346.20540  1   126 108 107    0.10030
 H       1.12261  1    109.28129  1    103.54584  1   126 108 107    0.10190
 H       1.13013  1    106.55945  1    334.45794  1   108 107   3    0.12970
 H       1.00368  1    133.50268  1    241.96979  1   107   3   2    0.14630
 H       1.00200  1    105.09295  1    107.13577  1   107   3   2    0.14170
 N      16.72432  0    124.91452  0    276.79549  0     3   2   1   -0.35290
 C       1.46982  0     76.68359  0    213.57442  0   143   3   2   -0.04170
 C       1.52299  0    110.19106  0     52.87280  0   144 143   3    0.26690
 O       1.24638  0    120.17788  0    138.05139  0   145 144 143   -0.41260
 N       1.35028  0    117.73900  0    319.49297  0   145 144 143   -0.34820
 C       1.46683  0    116.78461  0    184.83260  0   147 145 144   -0.04160
 C       1.52793  0    113.40179  0    245.30481  0   148 147 145    0.20010
 O       1.22892  0    121.51607  0    191.21863  0   149 148 147   -0.35490
 H       1.11353  1    117.08531  1     11.04172  1   149 148 147    0.09950
 C       1.54526  1    112.52740  1    123.36662  1   148 147 145   -0.21980
 C       1.53213  1    114.60586  1    337.14852  1   152 148 147    0.31730
 O       1.26443  1    119.44033  1    251.16537  1   153 152 148   -0.56790
 O       1.26969  1    118.30002  1     71.64965  1   153 152 148   -0.59600
 H       1.12103  1    109.35743  1     97.23833  1   152 148 147    0.07820
 H       1.11781  1    107.97211  1    214.78320  1   152 148 147    0.08830
 H       1.13446  1    109.04133  1      3.44731  1   148 147 145    0.14900
 H       1.00329  1    122.33468  1    337.60088  1   147 145 144    0.27690
 C       1.52915  1    115.31951  1    283.62435  1   144 143   3   -0.13100
 C       1.50473  1    113.02603  1     91.54701  1   160 144 143   -0.21540
 C       1.51408  1    112.92192  1    175.10799  1   161 160 144    0.30900
 O       1.25571  1    123.09688  1     12.02878  1   162 161 160   -0.44810
 N       1.36554  1    115.57053  1    192.09527  1   162 161 160   -0.42310
 H       0.98669  1    120.31352  1    184.41605  1   164 162 161    0.20700
 H       1.00380  1    119.87650  1    359.18282  1   164 162 161    0.28260
 H       1.12690  1    110.95848  1    296.29126  1   161 160 144    0.14310
 H       1.12787  1    110.57861  1     54.64079  1   161 160 144    0.13640
 H       1.12304  1    107.69379  1    212.09399  1   160 144 143    0.09440
 H       1.12193  1    110.14558  1    328.24342  1   160 144 143    0.10350
 H       1.13507  1    105.05752  1    166.41683  1   144 143   3    0.10790
 H       1.00257  1     45.33763  1     75.79896  1   143   3   2    0.14300
 H       1.00164  1     94.39720  1    323.77536  1   143   3   2    0.15330
 N      13.04654  0    105.94724  0    247.79105  0     3   2   1   -0.33420
 C       1.46056  0     63.27013  0      7.06520  0   174   3   2   -0.10020
 C       1.52568  0    111.29303  0    196.21750  0   175 174   3    0.19380
 O       1.24426  0    120.37505  0    147.13265  0   176 175 174   -0.33200
 H       1.10951  1    117.88969  1    326.03012  1   176 175 174    0.10380
 C       1.54267  1    116.58408  1     74.07731  1   175 174   3   -0.14180
 C       1.48562  1    111.95725  1    278.56807  1   179 175 174   -0.09380
 C       1.39914  1    120.32609  1     78.49550  1   180 179 175   -0.13830
 C       1.39306  1    120.56897  1    177.36466  1   181 180 179   -0.12090
 C       1.39370  1    119.81093  1    359.85420  1   182 181 180   -0.13720
 C       1.39517  1    120.07264  1      0.50186  1   183 182 181   -0.15920
 C       1.39392  1    120.09602  1    359.67312  1   184 183 182   -0.13720
 H       1.10053  1    119.95085  1    181.47587  1   185 184 183    0.12670
 H       1.10267  1    119.60655  1    181.23293  1   184 183 182    0.14320
 H       1.10255  1    119.57590  1    181.87259  1   183 182 181    0.15050
 H       1.10292  1    119.84031  1    181.01524  1   182 181 180    0.16030
 H       1.10181  1    120.06165  1    358.37610  1   181 180 179    0.16250
 H       1.12318  1    109.78927  1     40.32874  1   179 175 174    0.10380
 H       1.12374  1    108.65312  1    157.70763  1   179 175 174    0.09700
 H       1.13420  1    106.82486  1    313.24808  1   175 174   3    0.12500
 H       1.00395  1     46.61491  1    177.03338  1   174   3   2    0.17100
 H       1.00402  1    130.23492  1    101.86633  1   174   3   2    0.15510
 N      13.97432  0     94.15818  0    232.02148  0     3   2   1   -0.33310
 C       1.46430  0     52.34679  0    324.34835  0   196   3   2   -0.10430
 C       1.53456  0    111.47344  0    135.31213  0   197 196   3    0.20150
 O       1.23123  0    117.86153  0    140.04507  0   198 197 196   -0.30780
 H       1.10724  1    118.09939  1    318.82062  1   198 197 196    0.11870
 C       1.53570  1    115.44138  1     12.64756  1   197 196   3   -0.16610
 C       1.48797  1    114.02742  1    301.17322  1   201 197 196   -0.07120
 C       1.39923  1    122.54742  1    329.23856  1   202 201 197   -0.15190
 C       1.39506  1    120.46716  1    180.78245  1   203 202 201   -0.12290
 C       1.39342  1    120.31513  1      0.40613  1   204 203 202   -0.12970
 C       1.39525  1    119.60099  1      0.11975  1   205 204 203   -0.12310
 C       1.39294  1    120.20533  1    359.58763  1   206 205 204   -0.13060
 H       1.10319  1    119.51400  1    180.05156  1   207 206 205    0.14140
 H       1.10247  1    119.92404  1    179.66325  1   206 205 204    0.15120
 H       1.10072  1    120.65468  1    180.44492  1   205 204 203    0.13540
 H       1.09970  1    119.65595  1    180.75530  1   204 203 202    0.12370
 H       1.09982  1    120.43242  1      0.81729  1   203 202 201    0.12850
 H       1.12655  1    108.75434  1     63.46511  1   201 197 196    0.11320
 H       1.12448  1    108.28209  1    180.06222  1   201 197 196    0.09910
 H       1.13139  1    106.65300  1    251.79788  1   197 196   3    0.11660
 H       1.00333  1     70.76817  1    189.76728  1   196   3   2    0.15660
 H       1.00450  1     89.70773  1     80.01587  1   196   3   2    0.15300
 N       8.60260  0    120.32027  0    196.08209  0     3   2   1   -0.32480
 C       1.47619  0     20.65117  0    143.41566  0   218   3   2   -0.11630
 C       1.52552  0    110.97429  0     90.17809  0   219 218   3    0.19760
 O       1.23450  0    120.01759  0    133.33311  0   220 219 218   -0.28680
 H       1.10907  1    117.25265  1    312.14062  1   220 219 218    0.09770
 C       1.54214  1    115.27930  1    326.98555  1   219 218   3   -0.13910
 C       1.48747  1    110.70178  1    220.23174  1   223 219 218   -0.10930
 C       1.40132  1    120.04386  1    284.71816  1   224 223 219   -0.12240
 C       1.39334  1    120.31326  1    179.64879  1   225 224 223   -0.11630
 C       1.39536  1    119.80312  1    359.32094  1   226 225 224   -0.12130
 C       1.39408  1    120.12987  1      0.03256  1   227 226 225   -0.13680
 C       1.39409  1    120.15212  1      0.87617  1   228 227 226   -0.14880
 H       1.09995  1    119.78846  1    179.93044  1   229 228 227    0.12640
 H       1.10245  1    119.25612  1    181.83299  1   228 227 226    0.13920
 H       1.10487  1    120.11159  1    179.45956  1   227 226 225    0.16410
 H       1.10325  1    120.40880  1    179.05760  1   226 225 224    0.16080
 H       1.10139  1    119.66615  1      0.61080  1   225 224 223    0.14040
 H       1.12295  1    110.06653  1    341.39285  1   223 219 218    0.08590
 H       1.12296  1    109.89099  1     98.84409  1   223 219 218    0.09350
 H       1.13461  1    106.01277  1    206.77862  1   219 218   3    0.14230
 H       1.00137  1    110.32518  1     53.65123  1   218   3   2    0.14980
 H       1.00150  1     90.57301  1    303.70592  1   218   3   2    0.13130
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32160
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11420
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21430
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31100
 H       1.10980  1    117.37141  1    309.49177  1   242 241 240    0.10240
 C       1.54624  1    114.46476  1    308.20814  1   241 240   3   -0.13150
 C       1.51434  1    110.51635  1    180.94805  1   245 241 240   -0.22140
 H       1.11811  1    110.81991  1     64.56109  1   246 245 241    0.11190
 H       1.11885  1    109.97999  1    184.88619  1   246 245 241    0.07390
 H       1.11809  1    110.90547  1    304.30462  1   246 245 241    0.08190
 C       1.51500  1    110.35949  1    302.58986  1   245 241 240   -0.22520
 H       1.11723  1    111.36261  1     70.05802  1   250 245 241    0.05040
 H       1.11797  1    110.03953  1    189.57032  1   250 245 241    0.08430
 H       1.11746  1    110.52960  1    309.00974  1   250 245 241    0.09480
 H       1.12915  1    108.38639  1     61.64706  1   245 241 240    0.09570
 H       1.13345  1    106.65795  1    189.19839  1   241 240   3    0.13980
 H       1.00185  1    121.63195  1     11.42111  1   240   3   2    0.14080
 H       1.00383  1     51.25199  1    282.46180  1   240   3   2    0.13600
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33530
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.09830
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19520
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.32820
 H       1.11278  1    116.42298  1     29.15638  1   260 259 258    0.09920
 C       1.53192  1    114.38224  1    323.18999  1   259 258   3   -0.20110
 C       1.52309  1    111.76657  1    280.86776  1   263 259 258   -0.10490
 C       1.51490  1    111.02700  1    154.66352  1   264 263 259   -0.21570
 H       1.11673  1    110.56331  1     63.93364  1   265 264 263    0.07030
 H       1.12101  1    109.51663  1    184.26856  1   265 264 263    0.11650
 H       1.11767  1    110.49877  1    303.55317  1   265 264 263    0.06350
 C       1.51582  1    110.97393  1    277.17158  1   264 263 259   -0.22320
 H       1.11645  1    110.68659  1     65.92408  1   269 264 263    0.05550
 H       1.11777  1    109.99162  1    186.12351  1   269 264 263    0.10110
 H       1.11885  1    110.80749  1    305.54177  1   269 264 263    0.08900
 H       1.12767  1    108.93548  1     36.73047  1   264 263 259    0.08400
 H       1.12375  1    109.73779  1     42.96564  1   263 259 258    0.09390
 H       1.12140  1    108.96816  1    160.16686  1   263 259 258    0.10920
 H       1.13649  1    106.63231  1    204.23285  1   259 258   3    0.12190
 H       1.00276  1    103.60670  1    292.48667  1   258   3   2    0.15770
 H       1.00363  1     29.95820  1    191.15787  1   258   3   2    0.15120
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33300
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.04030
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.27670
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.40590
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.31410
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.05200
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18540
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.27950
 H       1.11041  1    117.52513  1    334.54436  1   285 284 283    0.09730
 C       1.54141  1    107.56872  1    177.05588  1   284 283 281   -0.15920
 C       1.52401  1    106.42126  1      1.93668  1   288 284 283   -0.17400
 C       1.53786  1    106.71096  1      1.16855  1   289 288 284   -0.02380
 H       1.12633  1    108.70245  1    115.70628  1   290 289 288    0.06760
 H       1.12434  1    110.94331  1    235.17453  1   290 289 288    0.10410
 H       1.11780  1    110.97765  1    121.24914  1   289 288 284    0.08760
 H       1.11953  1    111.02510  1    241.17971  1   289 288 284    0.10780
 H       1.11819  1    110.87481  1    123.18415  1   288 284 283    0.09400
 H       1.12091  1    109.65461  1    242.04396  1   288 284 283    0.11800
 H       1.13309  1    108.90411  1     57.25841  1   284 283 281    0.15170
 C       1.53532  1    113.47016  1    341.11465  1   280 279   3   -0.08890
 C       1.47017  1    112.44191  1    311.02707  1   298 280 279   -0.14270
 C       1.39529  1    125.40985  1    119.01722  1   299 298 280   -0.08410
 N       1.39959  1    110.46125  1    182.04717  1   300 299 298   -0.20980
 C       1.40053  1    107.95944  1    356.55545  1   301 300 299   -0.00190
 C       1.44780  1    108.25652  1      3.19316  1   302 301 300   -0.05040
 C       1.39473  1    119.21540  1    178.49065  1   303 302 301   -0.06230
 C       1.38854  1    118.94994  1    359.61273  1   304 303 302   -0.16690
 C       1.40438  1    121.46859  1      0.11629  1   305 304 303   -0.12100
 C       1.38729  1    121.52119  1      0.12712  1   306 305 304   -0.16210
 H       1.09713  1    121.18553  1    179.53495  1   307 306 305    0.11960
 H       1.09967  1    119.09273  1    179.73638  1   306 305 304    0.11470
 H       1.09977  1    119.47765  1    179.56634  1   305 304 303    0.12650
 H       1.10126  1    120.33227  1    178.64618  1   304 303 302    0.15050
 H       0.98567  1    123.96468  1    197.97275  1   301 300 299    0.24040
 H       1.09642  1    129.49533  1      1.70331  1   300 299 298    0.18760
 H       1.12327  1    110.36575  1     73.54285  1   298 280 279    0.08420
 H       1.12562  1    107.46328  1    190.43156  1   298 280 279    0.12500
 H       1.13629  1    104.93487  1    224.19950  1   280 279   3    0.14350
 H       1.00035  1     52.07066  1    226.83855  1   279   3   2    0.14460
 H       0.99968  1    141.69287  1    154.10026  1   279   3   2    0.13920
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34090
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09420
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20660
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30630
 H       1.10836  1    116.32975  1    134.80853  1   321 320 319    0.09190
 C       1.54669  1    116.63734  1     51.04083  1   320 319   3   -0.13930
 C       1.52265  1    110.50299  1    296.04001  1   324 320 319   -0.16200
 C       1.50759  1    112.38540  1    169.19300  1   325 324 320   -0.21620
 H       1.11717  1    111.21893  1     64.66384  1   326 325 324    0.07900
 H       1.11887  1    110.01790  1    184.19517  1   326 325 324    0.08720
 H       1.11730  1    110.81012  1    304.01685  1   326 325 324    0.06880
 H       1.12401  1    109.26246  1    291.08139  1   325 324 320    0.09050
 H       1.12401  1    110.01054  1     48.63438  1   325 324 320    0.07900
 C       1.51540  1    109.37755  1    173.98480  1   324 320 319   -0.22140
 H       1.11778  1    110.64713  1     56.26734  1   332 324 320    0.08000
 H       1.11695  1    110.28680  1    175.97590  1   332 324 320    0.08800
 H       1.11739  1    110.75534  1    295.39375  1   332 324 320    0.07030
 H       1.12627  1    108.44982  1     55.19920  1   324 320 319    0.10710
 H       1.13342  1    105.96841  1    292.22771  1   320 319   3    0.10810
 H       1.00353  1     18.57365  1    319.36205  1   319   3   2    0.16480
 H       1.00324  1    108.58222  1    225.10800  1   319   3   2    0.15770
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.34890
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04820
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27130
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42570
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36020
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02460
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18630
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31990
 H       1.11420  1    115.58488  1    318.96040  1   346 345 344    0.11960
 C       1.54132  1    110.18345  1    159.46763  1   345 344 342   -0.17360
 C       1.52055  1    113.34574  1    184.25421  1   349 345 344   -0.10430
 C       1.51431  1    111.26441  1     75.99856  1   350 349 345   -0.20780
 H       1.11690  1    110.64233  1     59.47248  1   351 350 349    0.07780
 H       1.11656  1    110.20183  1    179.30649  1   351 350 349    0.06220
 H       1.11666  1    110.51064  1    299.21094  1   351 350 349    0.07730
 C       1.51609  1    109.73785  1    198.18297  1   350 349 345   -0.21820
 H       1.11767  1    110.76297  1     56.48211  1   355 350 349    0.06900
 H       1.11735  1    109.94019  1    176.09464  1   355 350 349    0.06280
 H       1.11746  1    110.80415  1    296.23359  1   355 350 349    0.09900
 H       1.12774  1    109.03943  1    316.54543  1   350 349 345    0.09060
 H       1.12270  1    109.04600  1    305.43547  1   349 345 344    0.09940
 H       1.12347  1    108.76424  1     62.55013  1   349 345 344    0.09370
 H       1.13204  1    108.01276  1     39.97474  1   345 344 342    0.11420
 H       1.00477  1    122.45971  1     10.91156  1   344 342 341    0.29640
 C       1.52223  1    114.19836  1    321.59838  1   341 340   3   -0.21740
 H       1.12003  1    111.32765  1     52.74076  1   364 341 340    0.11310
 H       1.11644  1    109.47712  1    173.55065  1   364 341 340    0.07150
 H       1.11680  1    110.00306  1    292.98201  1   364 341 340    0.08360
 H       1.13251  1    106.29207  1    202.06474  1   341 340   3    0.09900
 H       1.00677  1     41.04395  1     98.41128  1   340   3   2    0.18250
 H       1.00265  1    114.54715  1      9.59282  1   340   3   2    0.15090
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34800
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06730
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.27550
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38680
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37110
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03680
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18770
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31630
 H       1.11347  1    115.20408  1     61.72149  1   377 376 375    0.10170
 C       1.53690  1    112.79896  1    149.37059  1   376 375 373   -0.12520
 C       1.48613  1    112.87542  1    307.69923  1   380 376 375   -0.09260
 C       1.39981  1    120.54116  1    289.67374  1   381 380 376   -0.11720
 C       1.39490  1    120.45873  1    179.12563  1   382 381 380   -0.12260
 C       1.39529  1    119.76536  1      0.78055  1   383 382 381   -0.12810
 C       1.39498  1    120.17659  1    359.38369  1   384 383 382   -0.14130
 C       1.39380  1    119.93400  1      0.00000  1   385 384 383   -0.13560
 H       1.10047  1    119.84745  1    181.60522  1   386 385 384    0.11930
 H       1.10261  1    120.25372  1    181.39787  1   385 384 383    0.13520
 H       1.09993  1    119.67986  1    180.64822  1   384 383 382    0.12310
 H       1.10873  1    119.83276  1    182.93636  1   383 382 381    0.18650
 H       1.10053  1    119.90809  1      0.76224  1   382 381 380    0.13590
 H       1.12312  1    109.05136  1     70.84267  1   380 376 375    0.09870
 H       1.12290  1    107.11491  1    186.49864  1   380 376 375    0.09330
 H       1.13558  1    107.65138  1     29.29823  1   376 375 373    0.13910
 H       0.99651  1    121.43756  1    354.97206  1   375 373 372    0.24550
 C       1.54313  1    111.24735  1    314.72223  1   372 371   3   -0.08580
 C       1.47109  1    111.22565  1    190.17047  1   396 372 371   -0.12450
 N       1.39807  1    124.38746  1     68.93433  1   397 396 372   -0.18490
 C       1.39499  1    106.64110  1    182.40971  1   398 397 396   -0.09830
 N       1.35383  1    111.41728  1    358.15805  1   399 398 397   -0.17360
 C       1.38850  1    105.98841  1      1.15835  1   400 399 398   -0.19160
 H       1.09040  1    121.64763  1    179.63416  1   401 400 399    0.17490
 H       1.09620  1    123.32980  1    178.57216  1   399 398 397    0.20490
 H       0.99750  1    124.59622  1    351.22334  1   398 397 396    0.29310
 H       1.12679  1    108.42763  1    311.44250  1   396 372 371    0.11640
 H       1.12257  1    110.82339  1     69.45499  1   396 372 371    0.08990
 H       1.14213  1    107.33679  1    196.87592  1   372 371   3    0.19910
 H       0.99946  1     77.05905  1    174.94928  1   371   3   2    0.15310
 H       0.99836  1    136.06731  1     69.17915  1   371   3   2    0.14990
 H       4.54581  1     99.94613  1    342.15428  1     3   2   1    0.21090
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.44220
 H       0.96619  1    103.73498  1    320.76368  1   411 410   3    0.22480

