


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.33220
 C       1.46622  0      0.00000  0      0.00000  0     1   0   0   -0.06240
 C       1.50739  0    114.62350  0      0.00000  0     2   1   0    0.15220
 O       1.25884  0    120.97328  0    314.84163  0     3   2   1   -0.27960
 H       1.10706  1    117.15409  1    136.12339  1     3   2   1    0.10120
 C       1.54497  1    108.18580  1     79.44788  1     2   3   4   -0.21430
 C       1.51107  1    113.19353  1     48.68642  1     6   2   3    0.29550
 O       1.25614  1    122.23390  1     56.01734  1     7   6   2   -0.43960
 N       1.36858  1    117.74478  1    232.36147  1     7   6   2   -0.42550
 H       0.99175  1    119.96865  1    174.33548  1     9   7   6    0.22120
 H       0.99629  1    120.71482  1      8.40454  1     9   7   6    0.25350
 H       1.12493  1    109.15605  1    167.44420  1     6   2   3    0.12170
 H       1.12708  1    108.46262  1    284.65875  1     6   2   3    0.13850
 H       1.13094  1    108.13206  1    196.25122  1     2   3   4    0.10420
 H       1.00441  1    110.52730  1    132.03913  1     1   2   3    0.16660
 H       1.00822  1    110.46603  1     14.14344  1     1   2   3    0.18710
 N       8.13001  0     73.66202  0    343.54714  0     3   2   1   -0.32600
 C       1.48397  0     48.33677  0    297.43069  0    17   3   2   -0.04160
 C       1.51580  0    111.83594  0    112.36719  0    18  17   3    0.31640
 O       1.23774  0    120.30369  0     51.63594  0    19  18  17   -0.43920
 N       1.33961  0    119.92046  0    231.94090  0    19  18  17   -0.36680
 C       1.47286  0    117.08269  0    178.99812  0    21  19  18   -0.04660
 C       1.50006  0    112.06490  0    290.64119  0    22  21  19    0.19950
 O       1.22392  0    118.76948  0    161.61124  0    23  22  21   -0.32250
 H       1.11184  1    118.64932  1    342.81303  1    23  22  21    0.09930
 C       1.54236  1    112.75166  1    166.83219  1    22  21  19   -0.07770
 C       1.46688  1    111.88448  1    269.66333  1    26  22  21   -0.17720
 C       1.39808  1    127.21132  1     84.28638  1    27  26  22   -0.04220
 N       1.39528  1    109.93821  1    178.45648  1    28  27  26   -0.20840
 C       1.39680  1    108.56357  1    359.81300  1    29  28  27   -0.01410
 C       1.44773  1    108.01334  1      0.85340  1    30  29  28   -0.07370
 C       1.39594  1    119.26347  1    178.26504  1    31  30  29   -0.08810
 C       1.38670  1    118.94445  1      0.90116  1    32  31  30   -0.16660
 C       1.40686  1    121.33985  1      0.29632  1    33  32  31   -0.13990
 C       1.38569  1    121.62766  1    359.29715  1    34  33  32   -0.13200
 H       1.09930  1    121.56582  1    178.75309  1    35  34  33    0.14930
 H       1.09959  1    119.08432  1    179.57019  1    34  33  32    0.11610
 H       1.09897  1    119.71174  1    180.57832  1    33  32  31    0.10760
 H       1.09957  1    119.90597  1    181.38762  1    32  31  30    0.13540
 H       0.98827  1    126.28811  1    183.16100  1    29  28  27    0.26170
 H       1.09906  1    128.51870  1    356.81987  1    28  27  26    0.20380
 H       1.12478  1    110.56715  1     32.68101  1    26  22  21    0.09880
 H       1.12478  1    107.97320  1    150.02330  1    26  22  21    0.09250
 H       1.13636  1    107.34624  1     47.62818  1    22  21  19    0.14520
 H       0.99750  1    124.94710  1      1.16715  1    21  19  18    0.28230
 C       1.52680  1    112.16931  1    341.28584  1    18  17   3   -0.21270
 C       1.52237  1    114.48467  1    184.08506  1    46  18  17    0.31920
 O       1.27256  1    124.78731  1     65.88022  1    47  46  18   -0.53490
 C       2.06988  0    114.35190  1    164.08970  1    48  47  46    0.12540
Cl       1.98233  1    166.24944  1     94.94427  1    49  48  47   -0.52550
 H       1.10746  1     75.97080  1    153.53276  1    49  48  47    0.12410
 H       1.10634  1     80.04513  1     29.56339  1    49  48  47    0.14650
 C       1.50409  1     89.67660  1    272.48557  1    49  48  47   -0.16180
 H       1.12484  1    109.82271  1    140.30913  1    53  49  48    0.06830
 C       1.51441  1    111.91988  1    262.82571  1    53  49  48   -0.17200
 H       1.12255  1    108.75431  1     69.84202  1    55  53  49    0.10440
 H       1.12428  1    109.50591  1    312.74727  1    55  53  49    0.06370
 C       1.50649  1    111.75791  1    191.16809  1    55  53  49   -0.22370
 H       1.11874  1    110.42330  1    297.52850  1    58  55  53    0.09960
 H       1.11708  1    110.41359  1    177.71989  1    58  55  53    0.07620
 H       1.11889  1    111.08811  1     57.42080  1    58  55  53    0.04800
 H       1.12523  1    109.37370  1     24.40373  1    53  49  48    0.14450
 O       1.27777  1    116.79750  1    245.14944  1    47  46  18   -0.63220
 H       1.12208  1    108.03874  1    303.92079  1    46  18  17    0.12390
 H       1.12179  1    110.99395  1     61.75512  1    46  18  17    0.10200
 H       1.14400  1    109.30022  1    225.46860  1    18  17   3    0.08860
 H       1.00202  1    154.88446  1    319.88860  1    17   3   2    0.14020
 H       1.00360  1     89.24637  1    182.65731  1    17   3   2    0.16290
 N      12.39849  0     94.35127  0    340.03018  0     3   2   1   -0.32910
 C       1.46232  0     47.10766  0    254.76067  0    69   3   2   -0.12730
 C       1.52242  0    109.96185  0     63.74052  0    70  69   3    0.19930
 O       1.22259  0    122.70647  0    243.71115  0    71  70  69   -0.30410
 H       1.11332  1    115.14558  1     64.75287  1    71  70  69    0.09140
 C       1.53535  1    113.25295  1    299.46522  1    70  69   3   -0.16910
 C       1.51184  1    111.37199  1    282.62204  1    74  70  69   -0.20860
 C       1.52008  1    109.71799  1    282.97819  1    75  74  70    0.31890
 O       1.27880  1    117.97345  1    273.39858  1    76  75  74   -0.63290
 O       1.26354  1    121.60510  1     91.88802  1    76  75  74   -0.56900
 H       1.11819  1    111.28802  1     44.68256  1    75  74  70    0.06160
 H       1.12247  1    108.73671  1    164.10191  1    75  74  70    0.10210
 H       1.12145  1    110.39241  1     45.28127  1    74  70  69    0.08240
 H       1.12162  1    108.82868  1    161.67034  1    74  70  69    0.11010
 H       1.13610  1    107.98592  1    180.28122  1    70  69   3    0.15280
 H       1.00242  1    133.00753  1    180.41174  1    69   3   2    0.14680
 H       1.00269  1     63.74320  1     89.48578  1    69   3   2    0.13030
 N      11.56490  0     68.79739  0    322.18196  0     3   2   1   -0.33620
 C       1.46852  0    110.47555  0    288.43467  0    86   3   2   -0.09480
 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   -0.30190
 H       1.11128  1    115.26872  1     88.40556  1    88  87  86    0.08250
 C       1.54079  1    117.03856  1     32.45498  1    87  86   3   -0.12850
 C       1.52062  1    111.15503  1    314.27407  1    91  87  86   -0.16670
 C       1.50735  1    112.63404  1    187.04882  1    92  91  87   -0.20590
 H       1.11798  1    111.00932  1     69.31733  1    93  92  91    0.05710
 H       1.11804  1    109.94768  1    188.98477  1    93  92  91    0.09400
 H       1.11682  1    110.70728  1    308.79342  1    93  92  91    0.07260
 H       1.12295  1    109.67613  1    309.07595  1    92  91  87    0.08190
 H       1.12552  1    109.28167  1     66.66746  1    92  91  87    0.10040
 C       1.51467  1    108.83468  1    190.80037  1    91  87  86   -0.20080
 H       1.11684  1    110.75399  1     69.92144  1    99  91  87    0.06860
 H       1.11667  1    110.29123  1    189.94691  1    99  91  87    0.07710
 H       1.11757  1    110.18996  1    309.57408  1    99  91  87    0.06000
 H       1.12771  1    108.08650  1     72.98789  1    91  87  86    0.10950
 H       1.12983  1    107.31441  1    270.81893  1    87  86   3    0.10580
 H       1.00342  1     37.29131  1    193.36344  1    86   3   2    0.15960
 H       1.00354  1     73.40936  1     33.94633  1    86   3   2    0.16240
 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   -0.06550
 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   -0.43370
 N       1.32775  0    118.30977  0    135.45248  0   109 108 107   -0.28480
 C       1.47342  0    117.86350  0    184.47984  0   111 109 108   -0.04540
 C       1.52829  0    110.25216  0    303.63816  0   112 111 109    0.18200
 O       1.23221  0    122.94278  0    317.80146  0   113 112 111   -0.29060
 H       1.11130  1    114.73353  1    138.64351  1   113 112 111    0.09720
 C       1.54182  1    106.75196  1    183.50639  1   112 111 109   -0.15250
 C       1.52696  1    106.38459  1      6.67202  1   116 112 111   -0.17630
 C       1.53775  1    106.96568  1    350.50275  1   117 116 112   -0.01260
 H       1.12592  1    111.24876  1    129.03229  1   118 117 116    0.10000
 H       1.12650  1    110.31738  1    249.81769  1   118 117 116    0.09480
 H       1.11868  1    110.55222  1    110.74267  1   117 116 112    0.11810
 H       1.12005  1    110.53517  1    230.92540  1   117 116 112    0.12360
 H       1.11810  1    110.97166  1    127.18476  1   116 112 111    0.10740
 H       1.11833  1    109.70277  1    247.24678  1   116 112 111    0.10730
 H       1.12533  1    108.82072  1     62.97305  1   112 111 109    0.11300
 C       1.54214  1    112.11717  1     93.69933  1   108 107   3   -0.11380
 C       1.48717  1    111.27002  1    225.91623  1   126 108 107   -0.09590
 C       1.40011  1    119.81398  1     76.90991  1   127 126 108   -0.12090
 C       1.39286  1    120.19448  1    179.63264  1   128 127 126   -0.14390
 C       1.39498  1    120.11874  1    359.96006  1   129 128 127   -0.13330
 C       1.39453  1    119.88300  1      0.02770  1   130 129 128   -0.12160
 C       1.39401  1    120.18857  1      0.02433  1   131 130 129   -0.12010
 H       1.10133  1    119.87959  1    179.39775  1   132 131 130    0.14520
 H       1.10287  1    119.87154  1    180.24240  1   131 130 129    0.14170
 H       1.10141  1    120.05071  1    179.91661  1   130 129 128    0.13990
 H       1.09984  1    120.00543  1    179.58402  1   129 128 127    0.12640
 H       1.09998  1    119.62394  1    359.20936  1   128 127 126    0.13170
 H       1.12402  1    110.02379  1    346.37925  1   126 108 107    0.10010
 H       1.12265  1    109.28274  1    103.66088  1   126 108 107    0.10200
 H       1.12991  1    106.61466  1    334.57042  1   108 107   3    0.12980
 H       1.00376  1    133.43683  1    242.31057  1   107   3   2    0.14620
 H       1.00207  1    105.21276  1    107.36890  1   107   3   2    0.14150
 N      16.72432  0    124.91452  0    276.79549  0     3   2   1   -0.35310
 C       1.46982  0     76.68359  0    213.57442  0   143   3   2   -0.04180
 C       1.52299  0    110.19106  0     52.87280  0   144 143   3    0.26680
 O       1.24638  0    120.17788  0    138.05139  0   145 144 143   -0.41320
 N       1.35028  0    117.73900  0    319.49297  0   145 144 143   -0.34840
 C       1.46683  0    116.78461  0    184.83260  0   147 145 144   -0.04180
 C       1.52793  0    113.40179  0    245.30481  0   148 147 145    0.19840
 O       1.22892  0    121.51607  0    191.21863  0   149 148 147   -0.35250
 H       1.11354  1    117.07462  1     11.10417  1   149 148 147    0.09930
 C       1.54549  1    112.54031  1    123.37631  1   148 147 145   -0.21880
 C       1.53211  1    114.69353  1    337.87600  1   152 148 147    0.31730
 O       1.26466  1    119.43731  1    250.32422  1   153 152 148   -0.56880
 O       1.26986  1    118.38997  1     70.79749  1   153 152 148   -0.59610
 H       1.12096  1    109.41404  1     97.97250  1   152 148 147    0.07890
 H       1.11792  1    107.94190  1    215.39682  1   152 148 147    0.08810
 H       1.13437  1    109.04433  1      3.48994  1   148 147 145    0.14900
 H       1.00336  1    122.40038  1    337.83692  1   147 145 144    0.27730
 C       1.52917  1    115.38278  1    283.74224  1   144 143   3   -0.13070
 C       1.50470  1    113.04567  1     90.88302  1   160 144 143   -0.21470
 C       1.51420  1    112.90110  1    175.60884  1   161 160 144    0.30890
 O       1.25561  1    123.08719  1     12.46186  1   162 161 160   -0.44810
 N       1.36552  1    115.56731  1    192.49269  1   162 161 160   -0.42400
 H       0.98674  1    120.30927  1    184.34311  1   164 162 161    0.20720
 H       1.00388  1    119.89959  1    359.12098  1   164 162 161    0.28300
 H       1.12678  1    111.00503  1    296.80882  1   161 160 144    0.14220
 H       1.12792  1    110.53901  1     55.06755  1   161 160 144    0.13640
 H       1.12300  1    107.66912  1    211.32598  1   160 144 143    0.09400
 H       1.12202  1    110.13319  1    327.55894  1   160 144 143    0.10340
 H       1.13501  1    105.06570  1    166.47519  1   144 143   3    0.10780
 H       1.00260  1     45.48127  1     76.03383  1   143   3   2    0.14300
 H       1.00170  1     94.21117  1    323.84695  1   143   3   2    0.15350
 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   -0.09960
 C       1.52568  0    111.29303  0    196.21750  0   175 174   3    0.19410
 O       1.24426  0    120.37505  0    147.13265  0   176 175 174   -0.33200
 H       1.10951  1    117.89894  1    325.99383  1   176 175 174    0.10320
 C       1.54243  1    116.69100  1     73.82300  1   175 174   3   -0.14130
 C       1.48615  1    112.46427  1    278.10259  1   179 175 174   -0.09470
 C       1.39954  1    120.43110  1     76.62353  1   180 179 175   -0.14050
 C       1.39371  1    120.52087  1    176.55313  1   181 180 179   -0.12140
 C       1.39384  1    119.85906  1      0.02513  1   182 181 180   -0.14000
 C       1.39520  1    120.03405  1      0.66428  1   183 182 181   -0.15610
 C       1.39417  1    120.08860  1    359.43154  1   184 183 182   -0.13730
 H       1.10051  1    119.84212  1    181.50550  1   185 184 183    0.12580
 H       1.10416  1    119.51524  1    180.97084  1   184 183 182    0.15430
 H       1.10282  1    119.89538  1    182.07986  1   183 182 181    0.15020
 H       1.10267  1    119.75880  1    181.39100  1   182 181 180    0.15780
 H       1.10219  1    120.12028  1    358.06319  1   181 180 179    0.16000
 H       1.12377  1    109.65114  1     39.78363  1   179 175 174    0.10310
 H       1.12361  1    108.61908  1    156.93731  1   179 175 174    0.09660
 H       1.13465  1    106.76064  1    313.18397  1   175 174   3    0.12480
 H       1.00385  1     46.58106  1    177.55499  1   174   3   2    0.17110
 H       1.00396  1    129.98118  1    102.01827  1   174   3   2    0.15510
 N      13.97432  0     94.15818  0    232.02148  0     3   2   1   -0.33230
 C       1.46430  0     52.34679  0    324.34835  0   196   3   2   -0.10570
 C       1.53456  0    111.47344  0    135.31213  0   197 196   3    0.20100
 O       1.23123  0    117.86153  0    140.04507  0   198 197 196   -0.30760
 H       1.10726  1    118.09584  1    318.83479  1   198 197 196    0.11840
 C       1.53552  1    115.50366  1     12.79037  1   197 196   3   -0.16420
 C       1.48781  1    114.11653  1    301.00631  1   201 197 196   -0.07160
 C       1.39868  1    122.62429  1    329.86371  1   202 201 197   -0.15120
 C       1.39520  1    120.47452  1    180.92956  1   203 202 201   -0.12380
 C       1.39373  1    120.31984  1      0.42703  1   204 203 202   -0.12980
 C       1.39531  1    119.62688  1      0.10478  1   205 204 203   -0.12350
 C       1.39304  1    120.17360  1    359.54475  1   206 205 204   -0.13000
 H       1.10328  1    119.53161  1    180.01218  1   207 206 205    0.14250
 H       1.10256  1    120.01340  1    179.61284  1   206 205 204    0.15160
 H       1.10083  1    120.61997  1    180.45168  1   205 204 203    0.13480
 H       1.09959  1    119.67175  1    180.78541  1   204 203 202    0.12320
 H       1.09981  1    120.46381  1      0.98427  1   203 202 201    0.12790
 H       1.12664  1    108.74466  1     63.30819  1   201 197 196    0.11360
 H       1.12453  1    108.25808  1    179.84720  1   201 197 196    0.09900
 H       1.13137  1    106.63222  1    251.82906  1   197 196   3    0.11710
 H       1.00340  1     70.66361  1    189.61541  1   196   3   2    0.15610
 H       1.00459  1     89.78228  1     79.92961  1   196   3   2    0.15250
 N       8.60260  0    120.32027  0    196.08209  0     3   2   1   -0.32770
 C       1.47619  0     20.65117  0    143.41566  0   218   3   2   -0.11580
 C       1.52552  0    110.97429  0     90.17809  0   219 218   3    0.19890
 O       1.23450  0    120.01759  0    133.33311  0   220 219 218   -0.28830
 H       1.10904  1    117.25872  1    312.09009  1   220 219 218    0.09700
 C       1.54110  1    115.37748  1    326.68794  1   219 218   3   -0.13750
 C       1.48789  1    110.92656  1    219.09512  1   223 219 218   -0.10810
 C       1.40094  1    120.30516  1    282.97271  1   224 223 219   -0.12390
 C       1.39429  1    120.38554  1    180.36064  1   225 224 223   -0.11790
 C       1.39551  1    119.82062  1    359.07533  1   226 225 224   -0.11620
 C       1.39445  1    120.08793  1    359.92187  1   227 226 225   -0.13670
 C       1.39410  1    120.15271  1      1.04544  1   228 227 226   -0.15130
 H       1.10009  1    119.72921  1    179.90997  1   229 228 227    0.12560
 H       1.10246  1    119.33464  1    181.84728  1   228 227 226    0.14120
 H       1.10549  1    120.29155  1    179.07363  1   227 226 225    0.16860
 H       1.10324  1    120.34762  1    178.68536  1   226 225 224    0.15880
 H       1.10118  1    119.60924  1      1.14343  1   225 224 223    0.13770
 H       1.12327  1    109.94299  1    340.32057  1   223 219 218    0.08550
 H       1.12304  1    109.84050  1     97.60802  1   223 219 218    0.09310
 H       1.13466  1    106.10311  1    206.71727  1   219 218   3    0.14090
 H       1.00129  1    111.09208  1     55.62400  1   218   3   2    0.15040
 H       1.00139  1     90.36311  1    305.46293  1   218   3   2    0.13210
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32170
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11450
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21450
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31210
 H       1.10982  1    117.35302  1    309.56345  1   242 241 240    0.10240
 C       1.54657  1    114.44101  1    308.31162  1   241 240   3   -0.13190
 C       1.51427  1    110.49896  1    180.94711  1   245 241 240   -0.22120
 H       1.11815  1    110.82519  1     63.97390  1   246 245 241    0.11130
 H       1.11854  1    110.01000  1    184.22315  1   246 245 241    0.07550
 H       1.11808  1    110.86735  1    303.74843  1   246 245 241    0.08080
 C       1.51495  1    110.39000  1    302.54934  1   245 241 240   -0.22340
 H       1.11721  1    111.37636  1     69.60448  1   250 245 241    0.04990
 H       1.11806  1    110.01506  1    189.06360  1   250 245 241    0.08350
 H       1.11738  1    110.54213  1    308.58345  1   250 245 241    0.09450
 H       1.12898  1    108.36229  1     61.66029  1   245 241 240    0.09720
 H       1.13330  1    106.68708  1    189.23901  1   241 240   3    0.13950
 H       1.00185  1    121.57221  1     11.39003  1   240   3   2    0.14070
 H       1.00388  1     51.24453  1    282.40348  1   240   3   2    0.13630
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33270
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.09960
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19470
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.32820
 H       1.11283  1    116.43435  1     29.07611  1   260 259 258    0.09930
 C       1.53228  1    114.33442  1    323.30507  1   259 258   3   -0.20120
 C       1.52310  1    111.75485  1    280.62098  1   263 259 258   -0.10510
 C       1.51484  1    111.06853  1    154.49906  1   264 263 259   -0.21590
 H       1.11678  1    110.62485  1     64.02223  1   265 264 263    0.06930
 H       1.12107  1    109.50680  1    184.40458  1   265 264 263    0.11760
 H       1.11774  1    110.48296  1    303.62012  1   265 264 263    0.06420
 C       1.51584  1    110.95254  1    277.09101  1   264 263 259   -0.22340
 H       1.11647  1    110.67762  1     66.30032  1   269 264 263    0.05570
 H       1.11776  1    110.01118  1    186.39470  1   269 264 263    0.10130
 H       1.11886  1    110.82910  1    305.96339  1   269 264 263    0.08850
 H       1.12769  1    108.93323  1     36.60251  1   264 263 259    0.08470
 H       1.12385  1    109.70547  1     42.67418  1   263 259 258    0.09370
 H       1.12140  1    109.02427  1    159.82841  1   263 259 258    0.10830
 H       1.13622  1    106.53043  1    204.39434  1   259 258   3    0.12320
 H       1.00346  1    100.40508  1    292.42316  1   258   3   2    0.15980
 H       1.00419  1     31.33166  1    186.01901  1   258   3   2    0.14770
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33320
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.03950
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.27700
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.40880
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.31060
 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    0.18590
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.28110
 H       1.11052  1    117.57825  1    334.49517  1   285 284 283    0.09600
 C       1.54076  1    107.65470  1    176.54822  1   284 283 281   -0.15750
 C       1.52393  1    106.42110  1      1.31285  1   288 284 283   -0.17310
 C       1.53807  1    106.73718  1      1.39844  1   289 288 284   -0.02580
 H       1.12630  1    108.79277  1    116.00446  1   290 289 288    0.06680
 H       1.12445  1    110.81761  1    235.48651  1   290 289 288    0.10590
 H       1.11768  1    111.00264  1    121.50660  1   289 288 284    0.08600
 H       1.11955  1    110.97191  1    241.51479  1   289 288 284    0.10940
 H       1.11826  1    110.71896  1    122.39044  1   288 284 283    0.09130
 H       1.12118  1    109.60101  1    241.37818  1   288 284 283    0.12180
 H       1.13403  1    108.81239  1     57.24564  1   284 283 281    0.15530
 C       1.53548  1    113.44605  1    341.14392  1   280 279   3   -0.09200
 C       1.47006  1    112.58275  1    312.82651  1   298 280 279   -0.13970
 C       1.39511  1    125.58781  1    117.71477  1   299 298 280   -0.08350
 N       1.39978  1    110.45429  1    181.29213  1   300 299 298   -0.20860
 C       1.40049  1    107.95647  1    356.55991  1   301 300 299   -0.00690
 C       1.44774  1    108.24774  1      3.18367  1   302 301 300   -0.05510
 C       1.39448  1    119.22183  1    178.49079  1   303 302 301   -0.06050
 C       1.38899  1    118.97327  1    359.75732  1   304 303 302   -0.16710
 C       1.40446  1    121.41291  1      0.09173  1   305 304 303   -0.12150
 C       1.38738  1    121.52220  1      0.03849  1   306 305 304   -0.15960
 H       1.09711  1    121.20320  1    179.69022  1   307 306 305    0.12080
 H       1.09966  1    119.09311  1    179.61871  1   306 305 304    0.11510
 H       1.09956  1    119.49447  1    179.46579  1   305 304 303    0.12660
 H       1.10073  1    120.29289  1    179.05372  1   304 303 302    0.14840
 H       0.98560  1    124.02145  1    197.85115  1   301 300 299    0.24070
 H       1.09650  1    129.48624  1      1.22819  1   300 299 298    0.18770
 H       1.12347  1    110.36590  1     75.48344  1   298 280 279    0.08860
 H       1.12528  1    107.50544  1    192.10351  1   298 280 279    0.12320
 H       1.13613  1    104.81960  1    224.19468  1   280 279   3    0.14040
 H       1.00052  1     51.72054  1    227.96448  1   279   3   2    0.14480
 H       0.99981  1    140.71110  1    154.77628  1   279   3   2    0.13920
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34130
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09430
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20620
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30670
 H       1.10835  1    116.34719  1    134.98305  1   321 320 319    0.09120
 C       1.54640  1    116.72609  1     51.42861  1   320 319   3   -0.14050
 C       1.52212  1    110.69820  1    296.47127  1   324 320 319   -0.15980
 C       1.50743  1    112.27936  1    169.30138  1   325 324 320   -0.22070
 H       1.11707  1    111.19784  1     65.26297  1   326 325 324    0.07460
 H       1.11969  1    110.05563  1    184.86042  1   326 325 324    0.09780
 H       1.11736  1    110.77567  1    304.66340  1   326 325 324    0.06850
 H       1.12382  1    109.30754  1    291.23071  1   325 324 320    0.08880
 H       1.12394  1    110.07885  1     48.79976  1   325 324 320    0.08060
 C       1.51556  1    109.32033  1    174.27874  1   324 320 319   -0.21990
 H       1.11780  1    110.65937  1     56.42114  1   332 324 320    0.07750
 H       1.11696  1    110.26737  1    176.11519  1   332 324 320    0.08780
 H       1.11738  1    110.79382  1    295.55406  1   332 324 320    0.06930
 H       1.12635  1    108.40076  1     55.64947  1   324 320 319    0.10760
 H       1.13326  1    105.94831  1    292.36757  1   320 319   3    0.10800
 H       1.00360  1     18.14106  1    316.53772  1   319   3   2    0.16530
 H       1.00334  1    109.39512  1    225.27161  1   319   3   2    0.15770
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.34980
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04770
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27090
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42280
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36010
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02610
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18480
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31900
 H       1.11433  1    115.58299  1    318.86183  1   346 345 344    0.12030
 C       1.53979  1    111.11222  1    158.91384  1   345 344 342   -0.17280
 C       1.52123  1    112.36122  1    190.05503  1   349 345 344   -0.10410
 C       1.51438  1    111.23194  1     77.92885  1   350 349 345   -0.20420
 H       1.11693  1    110.65417  1     59.88354  1   351 350 349    0.07600
 H       1.11663  1    110.22438  1    179.74974  1   351 350 349    0.06370
 H       1.11671  1    110.61011  1    299.68220  1   351 350 349    0.07480
 C       1.51549  1    110.10058  1    199.36074  1   350 349 345   -0.21910
 H       1.11701  1    110.76658  1     57.48268  1   355 350 349    0.06820
 H       1.11754  1    109.89643  1    177.13564  1   355 350 349    0.06470
 H       1.11740  1    110.74127  1    297.17761  1   355 350 349    0.09540
 H       1.12824  1    108.76866  1    318.64609  1   350 349 345    0.09410
 H       1.12299  1    109.41841  1    311.29194  1   349 345 344    0.10030
 H       1.12264  1    108.88393  1     68.01428  1   349 345 344    0.09100
 H       1.13294  1    107.69305  1     39.54525  1   345 344 342    0.11480
 H       1.00440  1    122.43397  1     11.31938  1   344 342 341    0.29480
 C       1.52222  1    114.23014  1    321.58733  1   341 340   3   -0.21700
 H       1.11998  1    111.32738  1     52.71346  1   364 341 340    0.11150
 H       1.11647  1    109.47783  1    173.52690  1   364 341 340    0.07200
 H       1.11681  1    110.00967  1    292.95206  1   364 341 340    0.08400
 H       1.13253  1    106.28678  1    202.05232  1   341 340   3    0.09950
 H       1.00659  1     41.21695  1     99.14245  1   340   3   2    0.18280
 H       1.00255  1    114.15611  1      9.73019  1   340   3   2    0.15080
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34780
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06660
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.27440
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38620
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37190
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03610
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18810
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31550
 H       1.11344  1    115.19271  1     61.71771  1   377 376 375    0.10130
 C       1.53709  1    112.79058  1    149.31569  1   376 375 373   -0.12550
 C       1.48617  1    112.78545  1    307.84510  1   380 376 375   -0.09130
 C       1.40002  1    120.61024  1    289.32937  1   381 380 376   -0.11780
 C       1.39353  1    120.42585  1    179.14687  1   382 381 380   -0.12400
 C       1.39560  1    119.80540  1      0.76052  1   383 382 381   -0.12730
 C       1.39451  1    120.16981  1    359.43047  1   384 383 382   -0.13910
 C       1.39501  1    119.92641  1    359.96287  1   385 384 383   -0.13910
 H       1.10050  1    119.83797  1    181.60787  1   386 385 384    0.12040
 H       1.10276  1    120.23190  1    181.26894  1   385 384 383    0.13650
 H       1.10008  1    119.70235  1    180.62811  1   384 383 382    0.12480
 H       1.10844  1    119.80047  1    182.68112  1   383 382 381    0.18360
 H       1.10048  1    119.92116  1      0.64062  1   382 381 380    0.13560
 H       1.12315  1    109.04601  1     70.91787  1   380 376 375    0.09920
 H       1.12264  1    107.19989  1    186.69007  1   380 376 375    0.09350
 H       1.13552  1    107.65180  1     29.24996  1   376 375 373    0.13830
 H       0.99658  1    121.44327  1    355.06313  1   375 373 372    0.24560
 C       1.54298  1    111.22054  1    314.60924  1   372 371   3   -0.08670
 C       1.47086  1    110.86434  1    191.14691  1   396 372 371   -0.12140
 N       1.39856  1    124.22131  1     70.35062  1   397 396 372   -0.18340
 C       1.39463  1    106.61950  1    183.32266  1   398 397 396   -0.09950
 N       1.35355  1    111.41008  1    357.99337  1   399 398 397   -0.17740
 C       1.38818  1    106.09572  1      1.16646  1   400 399 398   -0.19020
 H       1.09058  1    121.70711  1    179.83571  1   401 400 399    0.17550
 H       1.09569  1    123.27327  1    178.47335  1   399 398 397    0.20170
 H       0.99767  1    124.56402  1    351.15226  1   398 397 396    0.29360
 H       1.12667  1    108.48839  1    312.23047  1   396 372 371    0.11710
 H       1.12222  1    110.88971  1     70.30151  1   396 372 371    0.09100
 H       1.14227  1    107.21806  1    196.79903  1   372 371   3    0.19910
 H       0.99946  1     77.04329  1    175.07093  1   371   3   2    0.15330
 H       0.99834  1    136.02971  1     69.28709  1   371   3   2    0.15010
 H       4.52706  1    100.22222  1    341.28658  1     3   2   1    0.21220
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.43940
 H       0.96537  1    103.82832  1    322.24192  1   411 410   3    0.22080

