


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.32500
 C       1.46622  0      0.00000  0      0.00000  0     1   0   0   -0.06460
 C       1.50739  0    114.62350  0      0.00000  0     2   1   0    0.14300
 O       1.25884  0    120.97328  0    314.84163  0     3   2   1   -0.26840
 H       1.10710  1    117.14311  1    135.82763  1     3   2   1    0.09870
 C       1.54171  1    107.96542  1     81.20024  1     2   3   4   -0.20900
 C       1.51258  1    111.86612  1     51.78563  1     6   2   3    0.29340
 O       1.25590  1    122.20190  1     60.95483  1     7   6   2   -0.43480
 N       1.36813  1    118.13925  1    238.12803  1     7   6   2   -0.42090
 H       0.99124  1    120.06612  1    175.01747  1     9   7   6    0.22130
 H       0.99403  1    120.90780  1      7.65672  1     9   7   6    0.24230
 H       1.12470  1    109.30104  1    170.39266  1     6   2   3    0.12480
 H       1.12426  1    108.82537  1    287.63945  1     6   2   3    0.13290
 H       1.13270  1    107.81940  1    197.11506  1     2   3   4    0.10360
 H       1.00535  1    110.28108  1    130.77418  1     1   2   3    0.16370
 H       1.00962  1    110.25432  1     13.73372  1     1   2   3    0.18850
 N       8.13001  0     73.66202  0    343.54714  0     3   2   1   -0.32840
 C       1.48397  0     48.33677  0    297.43069  0    17   3   2   -0.04490
 C       1.51580  0    111.83594  0    112.36719  0    18  17   3    0.32140
 O       1.23774  0    120.30369  0     51.63594  0    19  18  17   -0.44440
 N       1.33961  0    119.92046  0    231.94090  0    19  18  17   -0.36660
 C       1.47286  0    117.08269  0    178.99812  0    21  19  18   -0.04860
 C       1.50006  0    112.06490  0    290.64119  0    22  21  19    0.20130
 O       1.22392  0    118.76948  0    161.61124  0    23  22  21   -0.32440
 H       1.11182  1    118.63104  1    342.88342  1    23  22  21    0.09990
 C       1.54130  1    112.43445  1    166.61214  1    22  21  19   -0.08000
 C       1.46740  1    111.66106  1    268.13750  1    26  22  21   -0.17130
 C       1.39701  1    127.12976  1     83.23307  1    27  26  22   -0.04400
 N       1.39692  1    110.02875  1    178.31126  1    28  27  26   -0.21440
 C       1.39715  1    108.52396  1    359.88016  1    29  28  27   -0.00730
 C       1.44844  1    107.97465  1      0.77043  1    30  29  28   -0.07150
 C       1.39517  1    119.35439  1    178.26232  1    31  30  29   -0.08730
 C       1.38716  1    118.95546  1      0.77726  1    32  31  30   -0.17260
 C       1.40579  1    121.35349  1      0.11431  1    33  32  31   -0.13540
 C       1.38642  1    121.61238  1    359.56721  1    34  33  32   -0.13980
 H       1.09915  1    121.34125  1    179.30982  1    35  34  33    0.14340
 H       1.09959  1    119.12893  1    180.46855  1    34  33  32    0.11630
 H       1.09903  1    119.66346  1    180.40229  1    33  32  31    0.11180
 H       1.09987  1    119.83216  1    181.38974  1    32  31  30    0.13670
 H       0.98731  1    126.42168  1    183.35558  1    29  28  27    0.25660
 H       1.10008  1    128.38488  1    355.54327  1    28  27  26    0.20770
 H       1.12422  1    110.61723  1     31.04672  1    26  22  21    0.09990
 H       1.12501  1    107.83701  1    148.56493  1    26  22  21    0.09190
 H       1.13700  1    107.39969  1     47.41696  1    22  21  19    0.14500
 H       0.99848  1    124.74384  1    356.73161  1    21  19  18    0.28370
 C       1.52508  1    112.48998  1    341.07724  1    18  17   3   -0.22470
 C       1.52856  1    110.92011  1    186.21299  1    46  18  17    0.31680
 O       1.25995  1    120.89769  1     58.47704  1    47  46  18   -0.54520
 C       2.86988  0     98.05502  1    163.15565  1    48  47  46   -0.09070
Cl       1.79507  1    161.57632  1    117.98309  1    49  48  47   -0.26400
 H       1.11659  1     58.52736  1    154.67135  1    49  48  47    0.13350
 H       1.12097  1     73.23511  1     28.19525  1    49  48  47    0.15900
 C       1.50295  1     83.93194  1    274.39712  1    49  48  47   -0.16880
 H       1.12177  1    110.88402  1    143.81383  1    53  49  48    0.06480
 C       1.51274  1    112.69471  1    268.84647  1    53  49  48   -0.16490
 H       1.12327  1    108.87830  1     69.41845  1    55  53  49    0.11050
 H       1.12403  1    109.78613  1    312.65298  1    55  53  49    0.04730
 C       1.50671  1    111.74363  1    190.44845  1    55  53  49   -0.21230
 H       1.11815  1    110.63244  1    296.73627  1    58  55  53    0.10830
 H       1.11709  1    110.52171  1    176.88234  1    58  55  53    0.07220
 H       1.11937  1    111.14234  1     56.48746  1    58  55  53    0.03870
 H       1.13216  1    105.89651  1     27.68163  1    53  49  48    0.16150
 O       1.28222  1    117.71274  1    239.13384  1    47  46  18   -0.65860
 H       1.12085  1    108.50773  1    304.64516  1    46  18  17    0.11300
 H       1.11931  1    111.74693  1     63.57671  1    46  18  17    0.09340
 H       1.14495  1    109.31209  1    225.32592  1    18  17   3    0.09560
 H       1.00210  1    155.16912  1    317.18414  1    17   3   2    0.13800
 H       1.00365  1     88.48921  1    182.04689  1    17   3   2    0.15780
 N      12.39849  0     94.35127  0    340.03018  0     3   2   1   -0.33020
 C       1.46232  0     47.10766  0    254.76067  0    69   3   2   -0.12520
 C       1.52242  0    109.96185  0     63.74052  0    70  69   3    0.19650
 O       1.22259  0    122.70647  0    243.71115  0    71  70  69   -0.29910
 H       1.11324  1    115.11415  1     64.94587  1    71  70  69    0.09210
 C       1.53577  1    113.00278  1    299.34280  1    70  69   3   -0.17110
 C       1.51146  1    111.46225  1    282.39052  1    74  70  69   -0.21110
 C       1.52093  1    109.61007  1    282.83801  1    75  74  70    0.31940
 O       1.27881  1    117.99468  1    275.53382  1    76  75  74   -0.63200
 O       1.26335  1    121.55174  1     94.26976  1    76  75  74   -0.56800
 H       1.11796  1    111.36034  1     44.72475  1    75  74  70    0.06180
 H       1.12236  1    108.82172  1    163.96022  1    75  74  70    0.10200
 H       1.12147  1    110.37840  1     45.13703  1    74  70  69    0.08240
 H       1.12145  1    108.74481  1    161.48169  1    74  70  69    0.11090
 H       1.13569  1    108.00542  1    180.22318  1    70  69   3    0.14980
 H       1.00250  1    132.59923  1    179.99216  1    69   3   2    0.14700
 H       1.00279  1     63.62135  1     88.91211  1    69   3   2    0.13100
 N      11.56490  0     68.79739  0    322.18196  0     3   2   1   -0.33060
 C       1.46852  0    110.47555  0    288.43467  0    86   3   2   -0.09740
 C       1.52995  0    105.15846  0    155.37265  0    87  86   3    0.20500
 O       1.22685  0    122.41819  0    269.57918  0    88  87  86   -0.30410
 H       1.11136  1    115.28718  1     88.49243  1    88  87  86    0.08040
 C       1.54018  1    116.92289  1     32.83878  1    87  86   3   -0.12900
 C       1.52041  1    110.99550  1    307.76386  1    91  87  86   -0.16640
 C       1.50737  1    112.64894  1    182.08781  1    92  91  87   -0.20660
 H       1.11793  1    111.08793  1     69.40975  1    93  92  91    0.05180
 H       1.11811  1    109.79023  1    189.02449  1    93  92  91    0.09610
 H       1.11677  1    110.70239  1    308.80418  1    93  92  91    0.07530
 H       1.12229  1    109.65696  1    304.14903  1    92  91  87    0.08180
 H       1.12461  1    109.51475  1     61.78067  1    92  91  87    0.10330
 C       1.51541  1    108.99538  1    184.52552  1    91  87  86   -0.20820
 H       1.11664  1    110.89648  1     68.26836  1    99  91  87    0.07110
 H       1.11669  1    110.16344  1    188.37066  1    99  91  87    0.07550
 H       1.11743  1    110.50892  1    307.76300  1    99  91  87    0.06410
 H       1.12745  1    108.05642  1     66.65191  1    91  87  86    0.11120
 H       1.12940  1    107.57591  1    270.71571  1    87  86   3    0.10680
 H       1.00432  1     37.92540  1    193.94536  1    86   3   2    0.15780
 H       1.00365  1     72.45489  1     33.69368  1    86   3   2    0.16150
 N      16.87794  0     96.95425  0    285.61404  0     3   2   1   -0.32430
 C       1.46663  0     27.17430  0    209.52028  0   107   3   2   -0.06550
 C       1.52471  0    108.13509  0    213.77101  0   108 107   3    0.28410
 O       1.23815  0    116.57639  0    317.15529  0   109 108 107   -0.43410
 N       1.32775  0    118.30977  0    135.45248  0   109 108 107   -0.28730
 C       1.47342  0    117.86350  0    184.47984  0   111 109 108   -0.04360
 C       1.52829  0    110.25216  0    303.63816  0   112 111 109    0.18150
 O       1.23221  0    122.94278  0    317.80146  0   113 112 111   -0.29180
 H       1.11135  1    114.75218  1    138.51827  1   113 112 111    0.09760
 C       1.53947  1    106.87899  1    183.39937  1   112 111 109   -0.15320
 C       1.52668  1    106.39624  1      6.61814  1   116 112 111   -0.17540
 C       1.53877  1    106.90827  1    350.49609  1   117 116 112   -0.00620
 H       1.12562  1    111.22730  1    128.98569  1   118 117 116    0.09450
 H       1.12630  1    110.33859  1    249.87863  1   118 117 116    0.09590
 H       1.11858  1    110.60789  1    110.79843  1   117 116 112    0.11820
 H       1.12002  1    110.57021  1    231.01711  1   117 116 112    0.12320
 H       1.11817  1    111.02553  1    127.23026  1   116 112 111    0.10660
 H       1.11857  1    109.74025  1    247.22676  1   116 112 111    0.10750
 H       1.12576  1    108.74944  1     62.63985  1   112 111 109    0.11260
 C       1.54340  1    112.15516  1     93.54283  1   108 107   3   -0.11700
 C       1.48766  1    111.29522  1    225.52991  1   126 108 107   -0.08530
 C       1.40074  1    119.75839  1     77.26571  1   127 126 108   -0.12370
 C       1.39247  1    120.18238  1    180.25735  1   128 127 126   -0.13830
 C       1.39499  1    120.05683  1    359.86537  1   129 128 127   -0.14590
 C       1.39439  1    119.97495  1      0.06028  1   130 129 128   -0.11480
 C       1.39439  1    120.14534  1    359.94489  1   131 130 129   -0.12420
 H       1.10128  1    119.83059  1    179.22464  1   132 131 130    0.14510
 H       1.10297  1    119.85940  1    180.04146  1   131 130 129    0.14740
 H       1.10113  1    119.97904  1    179.66285  1   130 129 128    0.13600
 H       1.09981  1    120.04664  1    179.51110  1   129 128 127    0.12610
 H       1.09987  1    119.62277  1      0.03573  1   128 127 126    0.12820
 H       1.12382  1    110.24702  1    346.02638  1   126 108 107    0.10220
 H       1.12276  1    109.31115  1    103.25234  1   126 108 107    0.10070
 H       1.13012  1    106.63598  1    334.42160  1   108 107   3    0.12960
 H       1.00382  1    133.66326  1    241.10047  1   107   3   2    0.14830
 H       1.00194  1    104.75954  1    106.46232  1   107   3   2    0.14130
 N      16.72432  0    124.91452  0    276.79549  0     3   2   1   -0.35370
 C       1.46982  0     76.68359  0    213.57442  0   143   3   2   -0.04660
 C       1.52299  0    110.19106  0     52.87280  0   144 143   3    0.26730
 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   -0.34760
 C       1.46683  0    116.78461  0    184.83260  0   147 145 144   -0.04240
 C       1.52793  0    113.40179  0    245.30481  0   148 147 145    0.20150
 O       1.22892  0    121.51607  0    191.21863  0   149 148 147   -0.35470
 H       1.11353  1    117.07973  1     11.30680  1   149 148 147    0.09860
 C       1.54490  1    112.32610  1    123.34064  1   148 147 145   -0.22320
 C       1.53207  1    114.77469  1    336.82918  1   152 148 147    0.31780
 O       1.26398  1    119.34389  1    252.37109  1   153 152 148   -0.56290
 O       1.26971  1    118.15576  1     72.59779  1   153 152 148   -0.59770
 H       1.12113  1    109.20634  1     96.97341  1   152 148 147    0.08000
 H       1.11789  1    107.93248  1    214.45252  1   152 148 147    0.08660
 H       1.13436  1    109.06650  1      3.39213  1   148 147 145    0.14980
 H       1.00274  1    122.51764  1    338.09178  1   147 145 144    0.27640
 C       1.53010  1    115.24310  1    283.53110  1   144 143   3   -0.12720
 C       1.50512  1    112.75526  1     93.44085  1   160 144 143   -0.21600
 C       1.51455  1    112.67721  1    175.94628  1   161 160 144    0.30960
 O       1.25573  1    123.19482  1     10.05238  1   162 161 160   -0.45230
 N       1.36549  1    115.42963  1    190.11940  1   162 161 160   -0.41990
 H       0.98664  1    120.33364  1    184.88823  1   164 162 161    0.20500
 H       1.00391  1    119.76180  1    358.66141  1   164 162 161    0.28270
 H       1.12742  1    110.84478  1    296.72467  1   161 160 144    0.14660
 H       1.12750  1    110.78571  1     55.17107  1   161 160 144    0.13530
 H       1.12277  1    107.77236  1    213.86580  1   160 144 143    0.09120
 H       1.12190  1    110.28730  1    330.19360  1   160 144 143    0.10470
 H       1.13509  1    105.08788  1    166.38808  1   144 143   3    0.10960
 H       1.00231  1     44.70997  1     74.53181  1   143   3   2    0.14530
 H       1.00130  1     95.77211  1    323.50920  1   143   3   2    0.15210
 N      13.04654  0    105.94724  0    247.79105  0     3   2   1   -0.33530
 C       1.46056  0     63.27013  0      7.06520  0   174   3   2   -0.09930
 C       1.52568  0    111.29303  0    196.21750  0   175 174   3    0.19670
 O       1.24426  0    120.37505  0    147.13265  0   176 175 174   -0.33200
 H       1.10947  1    117.89164  1    325.92067  1   176 175 174    0.10140
 C       1.54148  1    116.81490  1     73.61473  1   175 174   3   -0.14770
 C       1.48595  1    111.44785  1    279.60187  1   179 175 174   -0.08670
 C       1.39813  1    120.30552  1     79.36210  1   180 179 175   -0.14330
 C       1.39320  1    120.58957  1    177.89085  1   181 180 179   -0.11480
 C       1.39292  1    119.81083  1      0.08264  1   182 181 180   -0.14350
 C       1.39519  1    120.06209  1      0.34369  1   183 182 181   -0.15410
 C       1.39418  1    120.08489  1    359.46581  1   184 183 182   -0.14390
 H       1.10048  1    119.88928  1    181.91658  1   185 184 183    0.12700
 H       1.10258  1    119.87544  1    181.04826  1   184 183 182    0.14150
 H       1.10216  1    119.38842  1    181.43521  1   183 182 181    0.15070
 H       1.10309  1    119.90810  1    180.62493  1   182 181 180    0.16070
 H       1.10084  1    120.12381  1    358.57216  1   181 180 179    0.16340
 H       1.12345  1    109.73600  1     41.01672  1   179 175 174    0.10650
 H       1.12299  1    108.74040  1    158.64480  1   179 175 174    0.09930
 H       1.13459  1    106.71719  1    312.99510  1   175 174   3    0.12370
 H       1.00416  1     46.77369  1    176.80562  1   174   3   2    0.17360
 H       1.00422  1    130.36998  1    101.60371  1   174   3   2    0.15440
 N      13.97432  0     94.15818  0    232.02148  0     3   2   1   -0.33370
 C       1.46430  0     52.34679  0    324.34835  0   196   3   2   -0.10630
 C       1.53456  0    111.47344  0    135.31213  0   197 196   3    0.20030
 O       1.23123  0    117.86153  0    140.04507  0   198 197 196   -0.30740
 H       1.10729  1    118.10344  1    318.96408  1   198 197 196    0.11930
 C       1.53529  1    115.43935  1     12.54180  1   197 196   3   -0.16100
 C       1.48677  1    113.93748  1    301.11083  1   201 197 196   -0.07470
 C       1.39934  1    122.50068  1    328.59394  1   202 201 197   -0.14740
 C       1.39459  1    120.51608  1    180.71946  1   203 202 201   -0.12630
 C       1.39300  1    120.32090  1      0.36542  1   204 203 202   -0.12870
 C       1.39476  1    119.58715  1      0.12074  1   205 204 203   -0.12510
 C       1.39336  1    120.20294  1    359.65760  1   206 205 204   -0.12580
 H       1.10339  1    119.54572  1    180.05713  1   207 206 205    0.13860
 H       1.10248  1    119.98869  1    179.75362  1   206 205 204    0.15160
 H       1.10080  1    120.65311  1    180.39295  1   205 204 203    0.13790
 H       1.09974  1    119.66325  1    180.81046  1   204 203 202    0.12390
 H       1.09989  1    120.38441  1      0.87579  1   203 202 201    0.12690
 H       1.12668  1    108.70431  1     63.35911  1   201 197 196    0.11240
 H       1.12433  1    107.42269  1    179.95433  1   201 197 196    0.09690
 H       1.13150  1    106.63369  1    251.76577  1   197 196   3    0.11600
 H       1.00335  1     70.79563  1    189.81146  1   196   3   2    0.15640
 H       1.00466  1     89.64715  1     80.02361  1   196   3   2    0.15440
 N       8.60260  0    120.32027  0    196.08209  0     3   2   1   -0.32790
 C       1.47619  0     20.65117  0    143.41566  0   218   3   2   -0.11210
 C       1.52552  0    110.97429  0     90.17809  0   219 218   3    0.19810
 O       1.23450  0    120.01759  0    133.33311  0   220 219 218   -0.28600
 H       1.10910  1    117.23295  1    311.80554  1   220 219 218    0.09600
 C       1.54296  1    115.04520  1    327.95556  1   219 218   3   -0.14230
 C       1.48542  1    110.13435  1    221.10750  1   223 219 218   -0.11330
 C       1.40127  1    119.90444  1    284.19975  1   224 223 219   -0.12530
 C       1.39365  1    120.19489  1    178.95608  1   225 224 223   -0.11740
 C       1.39520  1    119.79500  1    359.10881  1   226 225 224   -0.12150
 C       1.39366  1    120.19874  1      0.04018  1   227 226 225   -0.13920
 C       1.39362  1    120.16546  1      1.01977  1   228 227 226   -0.14250
 H       1.09984  1    119.90285  1    179.78465  1   229 228 227    0.12610
 H       1.10256  1    119.30446  1    182.16877  1   228 227 226    0.13990
 H       1.10473  1    120.14027  1    179.60565  1   227 226 225    0.16640
 H       1.10347  1    120.31113  1    179.28382  1   226 225 224    0.16100
 H       1.10127  1    119.71040  1      0.00000  1   225 224 223    0.14090
 H       1.12287  1    110.21458  1    342.24287  1   223 219 218    0.08700
 H       1.12293  1    110.03535  1     99.87917  1   223 219 218    0.09290
 H       1.13337  1    106.18892  1    207.41194  1   219 218   3    0.14360
 H       1.00095  1    109.69331  1     51.58774  1   218   3   2    0.15030
 H       1.00083  1     91.23154  1    301.14326  1   218   3   2    0.13190
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32350
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11290
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21460
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31060
 H       1.10980  1    117.36191  1    309.70852  1   242 241 240    0.10220
 C       1.54577  1    114.31462  1    308.28221  1   241 240   3   -0.13250
 C       1.51295  1    110.47978  1    180.81468  1   245 241 240   -0.21950
 H       1.11783  1    110.83559  1     65.29584  1   246 245 241    0.11000
 H       1.11891  1    110.30521  1    185.59659  1   246 245 241    0.07520
 H       1.11791  1    110.92206  1    304.94594  1   246 245 241    0.07990
 C       1.51470  1    110.23471  1    302.50134  1   245 241 240   -0.21770
 H       1.11717  1    111.38010  1     70.53007  1   250 245 241    0.04850
 H       1.11799  1    110.03532  1    190.09003  1   250 245 241    0.08180
 H       1.11748  1    110.52603  1    309.55022  1   250 245 241    0.09370
 H       1.12899  1    108.35772  1     61.64392  1   245 241 240    0.09500
 H       1.13330  1    106.68551  1    189.07520  1   241 240   3    0.13920
 H       1.00150  1    121.97314  1     11.28519  1   240   3   2    0.14150
 H       1.00369  1     51.28555  1    282.52260  1   240   3   2    0.13680
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33900
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.09630
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19850
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.33030
 H       1.11274  1    116.40964  1     28.97933  1   260 259 258    0.09840
 C       1.53161  1    114.36836  1    323.05969  1   259 258   3   -0.19980
 C       1.52371  1    111.63441  1    280.79779  1   263 259 258   -0.10190
 C       1.51525  1    110.88080  1    154.54876  1   264 263 259   -0.22080
 H       1.11675  1    110.51849  1     64.16116  1   265 264 263    0.07150
 H       1.12111  1    109.53493  1    184.47066  1   265 264 263    0.11880
 H       1.11768  1    110.53966  1    303.78848  1   265 264 263    0.06470
 C       1.51566  1    111.02766  1    277.03404  1   264 263 259   -0.22610
 H       1.11645  1    110.69212  1     65.40755  1   269 264 263    0.05580
 H       1.11781  1    109.97943  1    185.61469  1   269 264 263    0.10340
 H       1.11888  1    110.79747  1    305.21049  1   269 264 263    0.08940
 H       1.12744  1    108.96742  1     36.63225  1   264 263 259    0.08060
 H       1.12353  1    109.88864  1     42.88895  1   263 259 258    0.09440
 H       1.12142  1    108.90663  1    160.12821  1   263 259 258    0.10850
 H       1.13665  1    106.92015  1    204.27521  1   259 258   3    0.11840
 H       1.00250  1    110.05523  1    292.62093  1   258   3   2    0.15450
 H       1.00294  1     27.51075  1    202.49117  1   258   3   2    0.15830
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.32980
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.04100
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.27560
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.40600
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.31240
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.05170
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18490
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.27860
 H       1.11043  1    117.53261  1    334.43473  1   285 284 283    0.09720
 C       1.54277  1    107.52167  1    177.31554  1   284 283 281   -0.15900
 C       1.52422  1    106.34492  1      2.31677  1   288 284 283   -0.17360
 C       1.53774  1    106.77057  1      1.04715  1   289 288 284   -0.02460
 H       1.12642  1    108.63494  1    115.62534  1   290 289 288    0.06770
 H       1.12426  1    111.06481  1    235.06530  1   290 289 288    0.10210
 H       1.11784  1    110.87499  1    121.21089  1   289 288 284    0.08710
 H       1.11951  1    110.83234  1    241.16180  1   289 288 284    0.10940
 H       1.11806  1    110.87675  1    123.46510  1   288 284 283    0.09370
 H       1.12052  1    109.66475  1    242.47710  1   288 284 283    0.11760
 H       1.13304  1    108.95157  1     57.58916  1   284 283 281    0.15220
 C       1.53494  1    113.52862  1    341.02517  1   280 279   3   -0.09070
 C       1.46931  1    112.45566  1    309.90046  1   298 280 279   -0.15060
 C       1.39525  1    125.78422  1    118.95312  1   299 298 280   -0.08090
 N       1.39764  1    110.49781  1    181.19143  1   300 299 298   -0.20430
 C       1.40082  1    108.00758  1    356.41736  1   301 300 299   -0.01110
 C       1.44814  1    108.20735  1      3.34963  1   302 301 300   -0.04790
 C       1.39377  1    119.24311  1    178.47527  1   303 302 301   -0.06680
 C       1.38961  1    118.92420  1    359.76188  1   304 303 302   -0.15980
 C       1.40337  1    121.46185  1      0.06547  1   305 304 303   -0.12360
 C       1.38781  1    121.50305  1      0.09908  1   306 305 304   -0.15510
 H       1.09708  1    121.07875  1    179.57192  1   307 306 305    0.11930
 H       1.09967  1    119.17979  1    179.58155  1   306 305 304    0.11370
 H       1.09971  1    119.42175  1    179.41426  1   305 304 303    0.12550
 H       1.10068  1    120.43591  1    178.77474  1   304 303 302    0.15000
 H       0.98589  1    123.92600  1    197.82204  1   301 300 299    0.24110
 H       1.09660  1    129.42095  1      0.99870  1   300 299 298    0.18920
 H       1.12330  1    110.37336  1     72.67047  1   298 280 279    0.08880
 H       1.12588  1    107.47688  1    189.48413  1   298 280 279    0.12220
 H       1.13637  1    104.80119  1    224.19480  1   280 279   3    0.14340
 H       1.00041  1     52.32263  1    225.74184  1   279   3   2    0.14150
 H       0.99978  1    142.37380  1    153.64423  1   279   3   2    0.13940
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34280
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09480
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20400
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30460
 H       1.10834  1    116.31337  1    135.06212  1   321 320 319    0.09250
 C       1.54676  1    116.43552  1     50.90958  1   320 319   3   -0.13580
 C       1.52352  1    110.39769  1    295.85688  1   324 320 319   -0.16130
 C       1.50720  1    112.42140  1    166.97239  1   325 324 320   -0.22040
 H       1.11711  1    111.17423  1     64.17289  1   326 325 324    0.07920
 H       1.11890  1    110.03972  1    183.80986  1   326 325 324    0.08820
 H       1.11730  1    110.94642  1    303.63863  1   326 325 324    0.06980
 H       1.12419  1    109.20317  1    288.74788  1   325 324 320    0.09200
 H       1.12373  1    110.24339  1     46.39964  1   325 324 320    0.07840
 C       1.51478  1    109.54904  1    173.86709  1   324 320 319   -0.21900
 H       1.11764  1    110.71439  1     56.24674  1   332 324 320    0.07910
 H       1.11707  1    110.18755  1    175.95221  1   332 324 320    0.08900
 H       1.11741  1    110.71928  1    295.44678  1   332 324 320    0.06660
 H       1.12625  1    108.46692  1     54.97962  1   324 320 319    0.10670
 H       1.13374  1    105.99308  1    292.14430  1   320 319   3    0.10870
 H       1.00357  1     19.12713  1    321.23699  1   319   3   2    0.16640
 H       1.00322  1    107.88873  1    225.16853  1   319   3   2    0.15710
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.34720
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.05000
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27030
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42490
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.35930
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02480
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18610
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31940
 H       1.11420  1    115.56769  1    318.74294  1   346 345 344    0.12000
 C       1.54198  1    109.83886  1    159.74480  1   345 344 342   -0.17540
 C       1.51978  1    113.57701  1    181.03456  1   349 345 344   -0.10080
 C       1.51458  1    111.33413  1     74.78143  1   350 349 345   -0.20980
 H       1.11690  1    110.67580  1     59.19983  1   351 350 349    0.07630
 H       1.11656  1    110.20130  1    179.04333  1   351 350 349    0.06360
 H       1.11670  1    110.53152  1    298.95189  1   351 350 349    0.07860
 C       1.51636  1    109.52354  1    197.04028  1   350 349 345   -0.20830
 H       1.11797  1    110.82978  1     56.12907  1   355 350 349    0.06890
 H       1.11724  1    110.04207  1    175.86594  1   355 350 349    0.05990
 H       1.11743  1    110.80015  1    295.95547  1   355 350 349    0.09280
 H       1.12774  1    109.05410  1    315.38167  1   350 349 345    0.08890
 H       1.12263  1    108.93650  1    302.71771  1   349 345 344    0.09840
 H       1.12419  1    108.67174  1     59.09657  1   349 345 344    0.09450
 H       1.13157  1    108.16063  1     40.24610  1   345 344 342    0.11420
 H       1.00477  1    122.47817  1     10.49166  1   344 342 341    0.29620
 C       1.52247  1    114.21248  1    321.61997  1   341 340   3   -0.21790
 H       1.11999  1    111.34712  1     52.86742  1   364 341 340    0.11340
 H       1.11637  1    109.47205  1    173.70343  1   364 341 340    0.07160
 H       1.11685  1    109.96122  1    293.06881  1   364 341 340    0.08370
 H       1.13241  1    106.31444  1    202.11349  1   341 340   3    0.09940
 H       1.00712  1     41.03171  1     98.89733  1   340   3   2    0.18070
 H       1.00301  1    114.13921  1      9.65701  1   340   3   2    0.15130
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34980
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06130
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.27310
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38690
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.36850
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03930
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18780
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31640
 H       1.11348  1    115.19723  1     61.74505  1   377 376 375    0.10180
 C       1.53683  1    112.88476  1    149.33147  1   376 375 373   -0.12780
 C       1.48639  1    112.90561  1    308.14392  1   380 376 375   -0.08920
 C       1.39991  1    120.35232  1    288.66057  1   381 380 376   -0.11900
 C       1.39333  1    120.48855  1    179.06969  1   382 381 380   -0.11380
 C       1.39570  1    119.76154  1      0.82139  1   383 382 381   -0.13770
 C       1.39559  1    120.18056  1    359.69732  1   384 383 382   -0.13490
 C       1.39420  1    119.93631  1    359.52460  1   385 384 383   -0.13920
 H       1.10059  1    119.85931  1    182.11570  1   386 385 384    0.12210
 H       1.10259  1    120.19470  1    180.99819  1   385 384 383    0.13340
 H       1.09983  1    119.72714  1    180.60433  1   384 383 382    0.12180
 H       1.10854  1    119.79100  1    183.16365  1   383 382 381    0.18410
 H       1.10042  1    119.93532  1      0.81959  1   382 381 380    0.13530
 H       1.12319  1    109.00079  1     71.36945  1   380 376 375    0.10030
 H       1.12286  1    107.07529  1    187.09139  1   380 376 375    0.09380
 H       1.13562  1    107.64696  1     29.29179  1   376 375 373    0.14020
 H       0.99661  1    121.43479  1    354.84979  1   375 373 372    0.24550
 C       1.54306  1    111.03422  1    314.79689  1   372 371   3   -0.08900
 C       1.47082  1    111.76301  1    189.62657  1   396 372 371   -0.12020
 N       1.39779  1    124.47468  1     67.68015  1   397 396 372   -0.18720
 C       1.39667  1    106.58061  1    181.58898  1   398 397 396   -0.09690
 N       1.35411  1    111.47576  1    357.90202  1   399 398 397   -0.17430
 C       1.38908  1    105.86333  1      1.24490  1   400 399 398   -0.19420
 H       1.09027  1    121.60622  1    179.60767  1   401 400 399    0.17350
 H       1.09657  1    123.32708  1    178.62089  1   399 398 397    0.20790
 H       0.99736  1    124.68616  1    351.12794  1   398 397 396    0.29270
 H       1.12696  1    108.28552  1    310.93738  1   396 372 371    0.11690
 H       1.12269  1    110.78566  1     68.84299  1   396 372 371    0.08950
 H       1.14183  1    107.43428  1    196.96355  1   372 371   3    0.19790
 H       0.99947  1     77.09138  1    174.79901  1   371   3   2    0.15290
 H       0.99835  1    136.19270  1     69.01967  1   371   3   2    0.15010
 H       4.55148  1     99.98354  1    342.49583  1     3   2   1    0.20950
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.44200
 H       0.96663  1    103.57896  1    320.52593  1   411 410   3    0.22660

