


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.33720
 C       1.46622  0      0.00000  0      0.00000  0     1   0   0   -0.06670
 C       1.50739  0    114.62350  0      0.00000  0     2   1   0    0.17030
 O       1.25884  0    120.97328  0    314.84163  0     3   2   1   -0.30420
 H       1.10694  1    117.05550  1    137.24895  1     3   2   1    0.10940
 C       1.54734  1    108.26941  1     78.44637  1     2   3   4   -0.21290
 C       1.51220  1    114.37190  1     45.23135  1     6   2   3    0.28660
 O       1.26081  1    121.25233  1     45.83208  1     7   6   2   -0.46950
 N       1.36185  1    117.34240  1    222.37321  1     7   6   2   -0.44110
 H       0.99167  1    118.91411  1    173.92413  1     9   7   6    0.20570
 H       1.03229  1    122.75526  1      6.12889  1     9   7   6    0.29860
 H       1.12421  1    108.63681  1    164.59496  1     6   2   3    0.11310
 H       1.12785  1    108.58421  1    281.72908  1     6   2   3    0.13630
 H       1.13009  1    108.21761  1    195.86911  1     2   3   4    0.10700
 H       1.00358  1    110.49816  1    131.21278  1     1   2   3    0.16000
 H       1.00665  1    110.38456  1     12.73228  1     1   2   3    0.17670
 N       8.13001  0     73.66202  0    343.54714  0     3   2   1   -0.32750
 C       1.48397  0     48.33677  0    297.43069  0    17   3   2   -0.04410
 C       1.51580  0    111.83594  0    112.36719  0    18  17   3    0.31220
 O       1.23774  0    120.30369  0     51.63594  0    19  18  17   -0.42360
 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   -0.05000
 C       1.50006  0    112.06490  0    290.64119  0    22  21  19    0.19720
 O       1.22392  0    118.76948  0    161.61124  0    23  22  21   -0.31490
 H       1.11181  1    118.63310  1    343.30260  1    23  22  21    0.09990
 C       1.54238  1    112.14961  1    165.07777  1    22  21  19   -0.07510
 C       1.46899  1    112.38076  1    265.78322  1    26  22  21   -0.17620
 C       1.39868  1    128.02573  1     99.33068  1    27  26  22   -0.04540
 N       1.39589  1    110.22564  1    177.24336  1    28  27  26   -0.19960
 C       1.39472  1    108.42252  1    358.21569  1    29  28  27   -0.01090
 C       1.44805  1    108.05870  1      2.06774  1    30  29  28   -0.07820
 C       1.39580  1    119.33796  1    179.79059  1    31  30  29   -0.08570
 C       1.38647  1    118.93186  1      0.45477  1    32  31  30   -0.17120
 C       1.40689  1    121.33766  1    359.72495  1    33  32  31   -0.12850
 C       1.38587  1    121.66765  1    359.81017  1    34  33  32   -0.14090
 H       1.09970  1    121.52042  1    179.89566  1    35  34  33    0.14800
 H       1.09961  1    119.03184  1    179.56940  1    34  33  32    0.11330
 H       1.09903  1    119.67881  1    180.12304  1    33  32  31    0.11150
 H       1.10086  1    119.76814  1    181.23034  1    32  31  30    0.13990
 H       0.99156  1    125.88560  1    186.81744  1    29  28  27    0.27200
 H       1.09607  1    129.29271  1    355.56836  1    28  27  26    0.18920
 H       1.12324  1    110.99909  1     29.38156  1    26  22  21    0.09840
 H       1.12638  1    107.42050  1    146.63534  1    26  22  21    0.09390
 H       1.13833  1    107.03192  1     46.76889  1    22  21  19    0.15020
 H       0.99450  1    124.96928  1      3.60226  1    21  19  18    0.27020
 C       1.52613  1    111.51586  1    340.59848  1    18  17   3   -0.18570
 C       1.51094  1    114.62327  1    183.70698  1    46  18  17    0.31670
 O       1.30517  1    123.81947  1     67.77803  1    47  46  18   -0.42070
 C       1.86988  0    110.90696  1    164.26544  1    48  47  46    0.18860
Cl       2.54802  1    165.20778  1     88.16876  1    49  48  47   -0.86350
 H       1.10264  1     91.69156  1    152.36094  1    49  48  47    0.12810
 H       1.10217  1     97.76011  1     33.15875  1    49  48  47    0.15420
 C       1.48932  1     99.35671  1    271.82964  1    49  48  47   -0.17780
 H       1.12514  1    108.69250  1    140.96298  1    53  49  48    0.11000
 C       1.51529  1    111.96376  1    263.34079  1    53  49  48   -0.17430
 H       1.12311  1    109.06728  1     58.28480  1    55  53  49    0.09510
 H       1.12380  1    109.18856  1    301.53283  1    55  53  49    0.08480
 C       1.50648  1    111.64512  1    179.52050  1    55  53  49   -0.22530
 H       1.11838  1    110.36719  1    297.95410  1    58  55  53    0.09490
 H       1.11751  1    110.25546  1    178.27349  1    58  55  53    0.07880
 H       1.11892  1    111.00108  1     58.02534  1    58  55  53    0.05830
 H       1.12623  1    109.21927  1     24.89425  1    53  49  48    0.12640
 O       1.26142  1    118.77885  1    245.27820  1    47  46  18   -0.53910
 H       1.12434  1    108.43442  1    303.88145  1    46  18  17    0.14270
 H       1.12350  1    111.20461  1     61.81562  1    46  18  17    0.11980
 H       1.14478  1    109.17801  1    225.16773  1    18  17   3    0.09060
 H       1.00197  1    154.07114  1    325.80765  1    17   3   2    0.14800
 H       1.00366  1     90.97788  1    183.91580  1    17   3   2    0.16910
 N      12.39849  0     94.35127  0    340.03018  0     3   2   1   -0.33090
 C       1.46232  0     47.10766  0    254.76067  0    69   3   2   -0.12700
 C       1.52242  0    109.96185  0     63.74052  0    70  69   3    0.20240
 O       1.22259  0    122.70647  0    243.71115  0    71  70  69   -0.31260
 H       1.11343  1    115.18009  1     64.77837  1    71  70  69    0.09150
 C       1.53570  1    113.28975  1    299.74967  1    70  69   3   -0.16830
 C       1.51134  1    111.29806  1    282.25485  1    74  70  69   -0.21030
 C       1.52047  1    109.47294  1    283.71902  1    75  74  70    0.32000
 O       1.27865  1    117.94570  1    269.38107  1    76  75  74   -0.63290
 O       1.26347  1    121.54286  1     87.06830  1    76  75  74   -0.56840
 H       1.11826  1    111.22528  1     45.21426  1    75  74  70    0.06210
 H       1.12226  1    108.87513  1    164.60488  1    75  74  70    0.10330
 H       1.12143  1    110.40549  1     45.00391  1    74  70  69    0.08120
 H       1.12173  1    108.93578  1    161.38365  1    74  70  69    0.10880
 H       1.13658  1    108.10422  1    180.38895  1    70  69   3    0.15830
 H       1.00238  1    134.09252  1    181.65064  1    69   3   2    0.14850
 H       1.00265  1     64.06397  1     90.84255  1    69   3   2    0.13050
 N      11.56490  0     68.79739  0    322.18196  0     3   2   1   -0.33550
 C       1.46852  0    110.47555  0    288.43467  0    86   3   2   -0.09680
 C       1.52995  0    105.15846  0    155.37265  0    87  86   3    0.20220
 O       1.22685  0    122.41819  0    269.57918  0    88  87  86   -0.30060
 H       1.11119  1    115.23231  1     88.41307  1    88  87  86    0.08420
 C       1.53975  1    117.11989  1     31.81096  1    87  86   3   -0.12730
 C       1.52114  1    110.84280  1    314.67140  1    91  87  86   -0.16760
 C       1.50690  1    112.76890  1    189.52283  1    92  91  87   -0.20690
 H       1.11791  1    110.99168  1     68.60957  1    93  92  91    0.06360
 H       1.11762  1    109.99021  1    188.25633  1    93  92  91    0.09140
 H       1.11672  1    110.71792  1    308.08113  1    93  92  91    0.07420
 H       1.12376  1    109.52770  1    311.68121  1    92  91  87    0.08100
 H       1.12521  1    109.13076  1     69.00056  1    92  91  87    0.09420
 C       1.51474  1    108.81321  1    191.35270  1    91  87  86   -0.20090
 H       1.11688  1    110.74124  1     70.61061  1    99  91  87    0.07020
 H       1.11678  1    110.27058  1    190.65881  1    99  91  87    0.07880
 H       1.11753  1    110.17046  1    310.25157  1    99  91  87    0.06050
 H       1.12731  1    108.27163  1     73.50669  1    91  87  86    0.10950
 H       1.13055  1    107.13011  1    270.51313  1    87  86   3    0.10640
 H       1.00338  1     36.32628  1    193.53634  1    86   3   2    0.15760
 H       1.00397  1     74.41668  1     34.07962  1    86   3   2    0.16050
 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   -0.06590
 C       1.52471  0    108.13509  0    213.77101  0   108 107   3    0.28200
 O       1.23815  0    116.57639  0    317.15529  0   109 108 107   -0.43310
 N       1.32775  0    118.30977  0    135.45248  0   109 108 107   -0.28490
 C       1.47342  0    117.86350  0    184.47984  0   111 109 108   -0.04550
 C       1.52829  0    110.25216  0    303.63816  0   112 111 109    0.18110
 O       1.23221  0    122.94278  0    317.80146  0   113 112 111   -0.28920
 H       1.11130  1    114.73271  1    138.74710  1   113 112 111    0.09710
 C       1.54225  1    106.70437  1    183.58482  1   112 111 109   -0.15190
 C       1.52717  1    106.39196  1      7.13402  1   116 112 111   -0.17780
 C       1.53748  1    107.00108  1    350.54001  1   117 116 112   -0.01250
 H       1.12607  1    111.27522  1    128.52596  1   118 117 116    0.09920
 H       1.12647  1    110.33914  1    249.26804  1   118 117 116    0.09430
 H       1.11888  1    110.52134  1    110.83522  1   117 116 112    0.12200
 H       1.12006  1    110.45330  1    230.99657  1   117 116 112    0.12110
 H       1.11812  1    110.96159  1    127.62821  1   116 112 111    0.10780
 H       1.11830  1    109.69692  1    247.69694  1   116 112 111    0.10670
 H       1.12515  1    108.83073  1     63.02487  1   112 111 109    0.11320
 C       1.54243  1    111.95169  1     94.08706  1   108 107   3   -0.11330
 C       1.48674  1    111.65947  1    228.64404  1   126 108 107   -0.09490
 C       1.40056  1    119.68456  1     76.39826  1   127 126 108   -0.12190
 C       1.39251  1    120.19509  1    178.48929  1   128 127 126   -0.14770
 C       1.39513  1    120.11759  1    359.89594  1   129 128 127   -0.13180
 C       1.39423  1    119.86595  1      0.22118  1   130 129 128   -0.12810
 C       1.39420  1    120.18694  1    359.95125  1   131 130 129   -0.11680
 H       1.10113  1    119.85427  1    179.45192  1   132 131 130    0.14440
 H       1.10291  1    119.91720  1    180.34082  1   131 130 129    0.14450
 H       1.10148  1    120.06473  1    180.18731  1   130 129 128    0.14200
 H       1.09996  1    119.94499  1    179.84832  1   129 128 127    0.12850
 H       1.10000  1    119.58656  1    358.29246  1   128 127 126    0.13140
 H       1.12432  1    110.02733  1    349.10681  1   126 108 107    0.09980
 H       1.12295  1    109.26364  1    106.08404  1   126 108 107    0.10140
 H       1.12933  1    106.75024  1    334.78958  1   108 107   3    0.13030
 H       1.00380  1    133.43065  1    242.29692  1   107   3   2    0.14680
 H       1.00209  1    105.25556  1    107.34857  1   107   3   2    0.14070
 N      16.72432  0    124.91452  0    276.79549  0     3   2   1   -0.35330
 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    0.26620
 O       1.24638  0    120.17788  0    138.05139  0   145 144 143   -0.41350
 N       1.35028  0    117.73900  0    319.49297  0   145 144 143   -0.34850
 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    0.19800
 O       1.22892  0    121.51607  0    191.21863  0   149 148 147   -0.34980
 H       1.11346  1    117.05373  1     10.99321  1   149 148 147    0.09860
 C       1.54625  1    112.38909  1    123.27656  1   148 147 145   -0.21820
 C       1.53232  1    114.77759  1    339.32214  1   152 148 147    0.31740
 O       1.26501  1    119.37842  1    249.49495  1   153 152 148   -0.57020
 O       1.27005  1    118.55052  1     70.08055  1   153 152 148   -0.59710
 H       1.12092  1    109.46676  1     99.51486  1   152 148 147    0.08040
 H       1.11798  1    107.94993  1    217.07612  1   152 148 147    0.08920
 H       1.13434  1    109.03459  1      3.45883  1   148 147 145    0.14830
 H       1.00327  1    122.56111  1    338.42539  1   147 145 144    0.27790
 C       1.52875  1    115.30405  1    283.80664  1   144 143   3   -0.13140
 C       1.50502  1    113.10185  1     90.11306  1   160 144 143   -0.21440
 C       1.51375  1    112.73574  1    176.05453  1   161 160 144    0.31080
 O       1.25601  1    123.02005  1     13.30559  1   162 161 160   -0.45130
 N       1.36508  1    115.63851  1    193.41617  1   162 161 160   -0.42420
 H       0.98678  1    120.28756  1    184.31247  1   164 162 161    0.20700
 H       1.00412  1    119.91091  1    359.07508  1   164 162 161    0.28340
 H       1.12682  1    111.12936  1    297.24729  1   161 160 144    0.14180
 H       1.12795  1    110.50198  1     55.44026  1   161 160 144    0.13720
 H       1.12294  1    107.64766  1    210.55277  1   160 144 143    0.09380
 H       1.12202  1    110.11159  1    326.69511  1   160 144 143    0.10370
 H       1.13496  1    105.09505  1    166.49883  1   144 143   3    0.10780
 H       1.00256  1     45.50066  1     76.10013  1   143   3   2    0.14270
 H       1.00172  1     94.17213  1    323.86490  1   143   3   2    0.15360
 N      13.04654  0    105.94724  0    247.79105  0     3   2   1   -0.33430
 C       1.46056  0     63.27013  0      7.06520  0   174   3   2   -0.10070
 C       1.52568  0    111.29303  0    196.21750  0   175 174   3    0.19400
 O       1.24426  0    120.37505  0    147.13265  0   176 175 174   -0.33090
 H       1.10949  1    117.90801  1    326.02537  1   176 175 174    0.10160
 C       1.54363  1    116.63689  1     73.41885  1   175 174   3   -0.14090
 C       1.48742  1    111.84370  1    277.92641  1   179 175 174   -0.09830
 C       1.39911  1    120.17364  1     77.68241  1   180 179 175   -0.14330
 C       1.39276  1    120.44964  1    177.85255  1   181 180 179   -0.12300
 C       1.39403  1    119.89337  1      0.24937  1   182 181 180   -0.14040
 C       1.39581  1    120.11418  1    359.96892  1   183 182 181   -0.15860
 C       1.39478  1    119.89247  1    359.92147  1   184 183 182   -0.13720
 H       1.10067  1    119.84944  1    181.57949  1   185 184 183    0.12840
 H       1.10691  1    119.41379  1    180.93035  1   184 183 182    0.17220
 H       1.10270  1    119.90831  1    180.67324  1   183 182 181    0.14660
 H       1.10233  1    119.68574  1    181.22340  1   182 181 180    0.15520
 H       1.10234  1    120.13041  1    359.13728  1   181 180 179    0.15820
 H       1.12266  1    109.83620  1     39.69354  1   179 175 174    0.10180
 H       1.12370  1    108.51159  1    157.14603  1   179 175 174    0.09770
 H       1.13490  1    106.81145  1    312.91788  1   175 174   3    0.12580
 H       1.00403  1     46.45485  1    177.95987  1   174   3   2    0.17060
 H       1.00400  1    129.53253  1    102.08927  1   174   3   2    0.15380
 N      13.97432  0     94.15818  0    232.02148  0     3   2   1   -0.33440
 C       1.46430  0     52.34679  0    324.34835  0   196   3   2   -0.10350
 C       1.53456  0    111.47344  0    135.31213  0   197 196   3    0.20060
 O       1.23123  0    117.86153  0    140.04507  0   198 197 196   -0.30890
 H       1.10724  1    118.11105  1    318.86165  1   198 197 196    0.11820
 C       1.53516  1    115.43726  1     12.72347  1   197 196   3   -0.16530
 C       1.48789  1    114.19713  1    300.57830  1   201 197 196   -0.07080
 C       1.39880  1    122.73375  1    331.13610  1   202 201 197   -0.15280
 C       1.39528  1    120.46450  1    180.88017  1   203 202 201   -0.12430
 C       1.39329  1    120.29319  1      0.38381  1   204 203 202   -0.12970
 C       1.39570  1    119.62494  1      0.02495  1   205 204 203   -0.12420
 C       1.39275  1    120.23514  1    359.45558  1   206 205 204   -0.12660
 H       1.10344  1    119.42594  1    180.03068  1   207 206 205    0.14480
 H       1.10264  1    119.98929  1    179.47468  1   206 205 204    0.15220
 H       1.10057  1    120.65085  1    180.36927  1   205 204 203    0.13310
 H       1.09953  1    119.68292  1    180.61896  1   204 203 202    0.12180
 H       1.09976  1    120.47592  1      0.76172  1   203 202 201    0.12700
 H       1.12663  1    108.84406  1     62.94860  1   201 197 196    0.11480
 H       1.12479  1    108.27417  1    179.54385  1   201 197 196    0.10130
 H       1.13138  1    106.70807  1    251.76968  1   197 196   3    0.11600
 H       1.00342  1     70.62739  1    189.60171  1   196   3   2    0.15600
 H       1.00465  1     89.71618  1     79.92164  1   196   3   2    0.15260
 N       8.60260  0    120.32027  0    196.08209  0     3   2   1   -0.32900
 C       1.47619  0     20.65117  0    143.41566  0   218   3   2   -0.11540
 C       1.52552  0    110.97429  0     90.17809  0   219 218   3    0.20060
 O       1.23450  0    120.01759  0    133.33311  0   220 219 218   -0.29210
 H       1.10903  1    117.28341  1    312.03985  1   220 219 218    0.09520
 C       1.54222  1    115.05932  1    327.26956  1   219 218   3   -0.13870
 C       1.48663  1    110.88912  1    218.91497  1   223 219 218   -0.10870
 C       1.40015  1    120.21929  1    279.48979  1   224 223 219   -0.11890
 C       1.39374  1    120.27424  1    181.14517  1   225 224 223   -0.12600
 C       1.39509  1    119.87384  1    359.07185  1   226 225 224   -0.09850
 C       1.39494  1    120.04889  1    359.55984  1   227 226 225   -0.13430
 C       1.39309  1    120.18925  1      1.31151  1   228 227 226   -0.14920
 H       1.09990  1    119.80782  1    179.56401  1   229 228 227    0.12210
 H       1.10253  1    119.16314  1    181.42953  1   228 227 226    0.14230
 H       1.10561  1    120.65166  1    177.13457  1   227 226 225    0.16960
 H       1.10296  1    120.24555  1    177.89432  1   226 225 224    0.15170
 H       1.10067  1    119.60783  1      1.21569  1   225 224 223    0.13210
 H       1.12293  1    109.97684  1    340.00909  1   223 219 218    0.08520
 H       1.12304  1    109.91806  1     97.32982  1   223 219 218    0.09490
 H       1.13363  1    106.38626  1    207.01034  1   219 218   3    0.13960
 H       1.00142  1    111.48536  1     56.95744  1   218   3   2    0.14940
 H       1.00149  1     90.13446  1    306.95253  1   218   3   2    0.13140
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32220
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11500
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21690
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31700
 H       1.10987  1    117.35312  1    309.38446  1   242 241 240    0.10290
 C       1.54635  1    114.48557  1    308.44503  1   241 240   3   -0.13260
 C       1.51417  1    110.41548  1    180.94882  1   245 241 240   -0.22100
 H       1.11826  1    110.77447  1     62.62305  1   246 245 241    0.10960
 H       1.11818  1    110.08113  1    182.82051  1   246 245 241    0.07840
 H       1.11805  1    110.81797  1    302.29619  1   246 245 241    0.07790
 C       1.51485  1    110.41934  1    302.55998  1   245 241 240   -0.22360
 H       1.11717  1    111.38482  1     69.14785  1   250 245 241    0.05100
 H       1.11815  1    109.97692  1    188.57372  1   250 245 241    0.08610
 H       1.11734  1    110.56483  1    308.09225  1   250 245 241    0.09260
 H       1.12862  1    108.33472  1     61.68195  1   245 241 240    0.10090
 H       1.13329  1    106.66268  1    189.33330  1   241 240   3    0.13840
 H       1.00202  1    121.36871  1     11.34029  1   240   3   2    0.14080
 H       1.00409  1     51.22585  1    282.21725  1   240   3   2    0.13740
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33190
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.10000
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19530
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.33070
 H       1.11283  1    116.43740  1     29.16362  1   260 259 258    0.09980
 C       1.53279  1    114.32814  1    323.18880  1   259 258   3   -0.19820
 C       1.52313  1    111.59090  1    280.36295  1   263 259 258   -0.10780
 C       1.51484  1    111.15350  1    154.14687  1   264 263 259   -0.21830
 H       1.11648  1    110.64506  1     64.64722  1   265 264 263    0.06740
 H       1.12155  1    109.50017  1    185.05558  1   265 264 263    0.12130
 H       1.11784  1    110.51444  1    304.21480  1   265 264 263    0.06610
 C       1.51599  1    110.91778  1    276.81689  1   264 263 259   -0.22310
 H       1.11653  1    110.66672  1     66.68115  1   269 264 263    0.05620
 H       1.11771  1    110.03167  1    186.93098  1   269 264 263    0.10190
 H       1.11873  1    110.86829  1    306.34478  1   269 264 263    0.08700
 H       1.12780  1    108.90693  1     36.31895  1   264 263 259    0.08640
 H       1.12374  1    109.75428  1     42.37513  1   263 259 258    0.09350
 H       1.12135  1    109.11687  1    159.60895  1   263 259 258    0.10530
 H       1.13638  1    106.51230  1    204.28767  1   259 258   3    0.12320
 H       1.00352  1     99.70387  1    292.37037  1   258   3   2    0.16070
 H       1.00433  1     31.67108  1    185.00216  1   258   3   2    0.14780
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33410
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.03710
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.28240
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.42590
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.29640
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.04820
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18610
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.28830
 H       1.11072  1    117.66866  1    334.51847  1   285 284 283    0.09200
 C       1.54038  1    107.60517  1    176.85512  1   284 283 281   -0.15490
 C       1.52333  1    106.44578  1    359.77834  1   288 284 283   -0.17010
 C       1.53777  1    106.72902  1      1.74686  1   289 288 284   -0.02360
 H       1.12593  1    108.95691  1    116.94493  1   290 289 288    0.05970
 H       1.12453  1    110.52156  1    236.58050  1   290 289 288    0.11380
 H       1.11747  1    111.11712  1    122.09723  1   289 288 284    0.07900
 H       1.11990  1    110.81057  1    242.37387  1   289 288 284    0.11620
 H       1.11782  1    110.99586  1    121.11341  1   288 284 283    0.08320
 H       1.12138  1    109.27637  1    240.33415  1   288 284 283    0.12540
 H       1.13515  1    108.63584  1     57.81590  1   284 283 281    0.16520
 C       1.53535  1    113.96236  1    341.66293  1   280 279   3   -0.10330
 C       1.46918  1    112.94934  1    315.47636  1   298 280 279   -0.13460
 C       1.39565  1    125.69032  1    117.73677  1   299 298 280   -0.08360
 N       1.40013  1    110.37800  1    180.99226  1   300 299 298   -0.21010
 C       1.39989  1    107.98425  1    356.47860  1   301 300 299   -0.00620
 C       1.44821  1    108.20526  1      3.38858  1   302 301 300   -0.05960
 C       1.39424  1    119.23566  1    178.02085  1   303 302 301   -0.06020
 C       1.38864  1    118.98555  1      0.05716  1   304 303 302   -0.17040
 C       1.40438  1    121.39630  1    359.80722  1   305 304 303   -0.12180
 C       1.38759  1    121.51734  1      0.20544  1   306 305 304   -0.15880
 H       1.09712  1    121.19000  1    179.68583  1   307 306 305    0.11980
 H       1.09959  1    119.09999  1    179.89520  1   306 305 304    0.11470
 H       1.09956  1    119.53428  1    179.60141  1   305 304 303    0.12460
 H       1.10032  1    120.17023  1    179.55378  1   304 303 302    0.14500
 H       0.98549  1    124.10066  1    196.98578  1   301 300 299    0.24140
 H       1.09694  1    129.46048  1      0.83577  1   300 299 298    0.19040
 H       1.12459  1    110.42782  1     78.62318  1   298 280 279    0.10770
 H       1.12580  1    107.42534  1    194.57848  1   298 280 279    0.11900
 H       1.13554  1    104.65380  1    224.34956  1   280 279   3    0.13200
 H       1.00087  1     50.78095  1    230.99004  1   279   3   2    0.14640
 H       1.00001  1    137.99696  1    156.27938  1   279   3   2    0.13850
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34650
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09290
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20580
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30470
 H       1.10824  1    116.32531  1    134.86387  1   321 320 319    0.08970
 C       1.54675  1    115.91839  1     49.93830  1   320 319   3   -0.13980
 C       1.52414  1    110.34067  1    297.09065  1   324 320 319   -0.16110
 C       1.50789  1    112.89496  1    167.63296  1   325 324 320   -0.22460
 H       1.11669  1    111.09509  1     69.35257  1   326 325 324    0.06790
 H       1.12135  1    109.97765  1    189.33361  1   326 325 324    0.11240
 H       1.11743  1    110.74840  1    308.76924  1   326 325 324    0.06870
 H       1.12363  1    109.17256  1    289.77338  1   325 324 320    0.08450
 H       1.12411  1    110.31373  1     47.21686  1   325 324 320    0.08680
 C       1.51414  1    109.68161  1    174.89950  1   324 320 319   -0.21810
 H       1.11776  1    110.76042  1     56.23766  1   332 324 320    0.07450
 H       1.11749  1    109.98058  1    175.85265  1   332 324 320    0.08670
 H       1.11716  1    110.72477  1    295.46288  1   332 324 320    0.06830
 H       1.12648  1    108.39339  1     56.10316  1   324 320 319    0.10880
 H       1.13400  1    105.91270  1    291.83212  1   320 319   3    0.10350
 H       1.00368  1     18.82723  1    318.49756  1   319   3   2    0.16790
 H       1.00349  1    108.78214  1    225.13016  1   319   3   2    0.16050
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.35000
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04780
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27460
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42190
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36080
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02790
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18260
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31770
 H       1.11450  1    115.54545  1    318.90018  1   346 345 344    0.12200
 C       1.53881  1    111.92241  1    158.42329  1   345 344 342   -0.17070
 C       1.52225  1    111.44320  1    198.20871  1   349 345 344   -0.10420
 C       1.51481  1    111.09765  1     80.21423  1   350 349 345   -0.21040
 H       1.11704  1    110.66689  1     61.00148  1   351 350 349    0.07790
 H       1.11669  1    110.31192  1    181.07276  1   351 350 349    0.06900
 H       1.11703  1    110.70794  1    301.00231  1   351 350 349    0.07670
 C       1.51547  1    110.32700  1    202.46225  1   350 349 345   -0.21750
 H       1.11689  1    110.78914  1     59.53396  1   355 350 349    0.06690
 H       1.11742  1    109.88935  1    179.25015  1   355 350 349    0.06760
 H       1.11720  1    110.65190  1    299.13091  1   355 350 349    0.08850
 H       1.12864  1    108.48906  1    321.17336  1   350 349 345    0.09600
 H       1.12240  1    110.08959  1    319.50384  1   349 345 344    0.09970
 H       1.12240  1    109.02074  1     76.67616  1   349 345 344    0.08720
 H       1.13414  1    107.27477  1     39.06493  1   345 344 342    0.11790
 H       1.00381  1    122.35036  1     12.00415  1   344 342 341    0.29280
 C       1.52251  1    114.44466  1    321.46481  1   341 340   3   -0.21720
 H       1.12012  1    111.41546  1     52.78086  1   364 341 340    0.10910
 H       1.11627  1    109.56364  1    173.71697  1   364 341 340    0.07340
 H       1.11662  1    110.07950  1    293.08568  1   364 341 340    0.08400
 H       1.13276  1    106.17716  1    201.95550  1   341 340   3    0.10090
 H       1.00634  1     42.13253  1    104.18767  1   340   3   2    0.18020
 H       1.00268  1    110.81791  1     10.90300  1   340   3   2    0.15190
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34790
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06170
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.26920
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38720
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37050
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03510
 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   -0.31390
 H       1.11342  1    115.17679  1     61.70093  1   377 376 375    0.10150
 C       1.53648  1    112.50809  1    149.07567  1   376 375 373   -0.12550
 C       1.48602  1    112.74145  1    308.22108  1   380 376 375   -0.09250
 C       1.40030  1    120.52328  1    287.80013  1   381 380 376   -0.11880
 C       1.39414  1    120.43171  1    178.95389  1   382 381 380   -0.12880
 C       1.39541  1    119.83099  1      0.37169  1   383 382 381   -0.12310
 C       1.39451  1    120.14511  1    359.41726  1   384 383 382   -0.13720
 C       1.39466  1    119.92236  1      0.36981  1   385 384 383   -0.13780
 H       1.10075  1    119.84010  1    181.38218  1   386 385 384    0.12180
 H       1.10314  1    120.20258  1    181.37047  1   385 384 383    0.13930
 H       1.10065  1    119.70793  1    180.80703  1   384 383 382    0.12960
 H       1.10741  1    119.85666  1    181.67703  1   383 382 381    0.17660
 H       1.10033  1    119.86338  1    359.95545  1   382 381 380    0.13300
 H       1.12334  1    109.09326  1     71.33715  1   380 376 375    0.10040
 H       1.12297  1    107.15900  1    187.19673  1   380 376 375    0.09370
 H       1.13546  1    107.64576  1     29.25207  1   376 375 373    0.13620
 H       0.99677  1    121.47402  1    355.38856  1   375 373 372    0.24670
 C       1.54301  1    111.33812  1    314.89654  1   372 371   3   -0.09120
 C       1.47214  1    111.25965  1    193.13850  1   396 372 371   -0.11100
 N       1.39781  1    123.98761  1     69.18396  1   397 396 372   -0.17840
 C       1.39392  1    106.70635  1    182.50398  1   398 397 396   -0.10400
 N       1.35427  1    111.41894  1    358.12318  1   399 398 397   -0.19070
 C       1.38874  1    106.04731  1      1.06363  1   400 399 398   -0.19300
 H       1.09107  1    121.80875  1    179.69454  1   401 400 399    0.17570
 H       1.09528  1    123.03594  1    178.30770  1   399 398 397    0.19860
 H       0.99851  1    124.63237  1    350.88319  1   398 397 396    0.29630
 H       1.12743  1    108.52585  1    314.21638  1   396 372 371    0.11960
 H       1.12217  1    110.86061  1     72.09080  1   396 372 371    0.09300
 H       1.14186  1    107.15171  1    196.93199  1   372 371   3    0.19740
 H       0.99939  1     77.09998  1    175.15001  1   371   3   2    0.15480
 H       0.99822  1    136.08516  1     69.19449  1   371   3   2    0.15100
 H       4.48579  1    101.56221  1    340.12670  1     3   2   1    0.20900
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.43000
 H       0.96472  1    103.76673  1    322.76757  1   411 410   3    0.21540

