


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.33670
 C       1.46622  0      0.00000  0      0.00000  0     1   0   0   -0.06870
 C       1.50739  0    114.62350  0      0.00000  0     2   1   0    0.17530
 O       1.25884  0    120.97328  0    314.84163  0     3   2   1   -0.31320
 H       1.10701  1    117.02161  1    137.87023  1     3   2   1    0.11320
 C       1.54633  1    107.70257  1     78.47320  1     2   3   4   -0.21170
 C       1.51340  1    114.19430  1     45.52342  1     6   2   3    0.28050
 O       1.26243  1    120.84676  1     40.57025  1     7   6   2   -0.47770
 N       1.35820  1    117.61198  1    217.56797  1     7   6   2   -0.44320
 H       0.99128  1    118.57603  1    174.07794  1     9   7   6    0.20330
 H       1.04389  1    122.34289  1      4.74280  1     9   7   6    0.30550
 H       1.12421  1    108.92299  1    164.98275  1     6   2   3    0.11200
 H       1.12854  1    108.71425  1    282.16163  1     6   2   3    0.13720
 H       1.12947  1    108.34532  1    195.75616  1     2   3   4    0.10880
 H       1.00343  1    110.38823  1    129.90682  1     1   2   3    0.15650
 H       1.00643  1    110.25867  1     11.20530  1     1   2   3    0.17310
 N       8.13001  0     73.66202  0    343.54714  0     3   2   1   -0.32550
 C       1.48397  0     48.33677  0    297.43069  0    17   3   2   -0.04690
 C       1.51580  0    111.83594  0    112.36719  0    18  17   3    0.31140
 O       1.23774  0    120.30369  0     51.63594  0    19  18  17   -0.41580
 N       1.33961  0    119.92046  0    231.94090  0    19  18  17   -0.36750
 C       1.47286  0    117.08269  0    178.99812  0    21  19  18   -0.05100
 C       1.50006  0    112.06490  0    290.64119  0    22  21  19    0.19630
 O       1.22392  0    118.76948  0    161.61124  0    23  22  21   -0.31150
 H       1.11180  1    118.64953  1    342.86512  1    23  22  21    0.09940
 C       1.54394  1    112.31640  1    165.21192  1    22  21  19   -0.07380
 C       1.46904  1    111.98765  1    264.52134  1    26  22  21   -0.18410
 C       1.39980  1    127.53460  1    103.07329  1    27  26  22   -0.04500
 N       1.39389  1    110.30829  1    178.36836  1    28  27  26   -0.19560
 C       1.39693  1    108.34425  1    358.99541  1    29  28  27   -0.01330
 C       1.44828  1    108.10511  1      1.26005  1    30  29  28   -0.07680
 C       1.39665  1    119.50791  1    178.70286  1    31  30  29   -0.08730
 C       1.38636  1    118.85982  1      0.63728  1    32  31  30   -0.16960
 C       1.40742  1    121.35868  1    359.89635  1    33  32  31   -0.12930
 C       1.38538  1    121.72413  1    359.57303  1    34  33  32   -0.13830
 H       1.09974  1    121.55246  1    180.53492  1    35  34  33    0.14700
 H       1.09965  1    118.98056  1    179.91563  1    34  33  32    0.11320
 H       1.09903  1    119.69800  1    180.18051  1    33  32  31    0.11190
 H       1.10105  1    119.72742  1    181.43645  1    32  31  30    0.14160
 H       0.99265  1    125.84682  1    186.11225  1    29  28  27    0.27760
 H       1.09642  1    129.47424  1    356.85592  1    28  27  26    0.18930
 H       1.12408  1    110.82259  1     27.79369  1    26  22  21    0.09690
 H       1.12504  1    107.76511  1    145.04219  1    26  22  21    0.09550
 H       1.13829  1    106.99697  1     47.05034  1    22  21  19    0.15260
 H       0.99323  1    124.78481  1      4.24141  1    21  19  18    0.26320
 C       1.52443  1    110.42915  1    340.42067  1    18  17   3   -0.17520
 C       1.50454  1    114.60624  1    183.06080  1    46  18  17    0.31420
 O       1.33238  1    123.04413  1     63.22191  1    47  46  18   -0.31470
 C       1.66988  0    110.44217  1    166.98424  1    48  47  46    0.06890
Cl       2.99904  1    164.81298  1     84.50876  1    49  48  47   -0.89680
 H       1.11034  1     98.51524  1    157.10521  1    49  48  47    0.12130
 H       1.10714  1    107.02033  1     39.36042  1    49  48  47    0.14350
 C       1.50148  1    103.33741  1    276.09280  1    49  48  47   -0.16760
 H       1.12571  1    108.23872  1    143.37215  1    53  49  48    0.10630
 C       1.51423  1    111.79288  1    264.21154  1    53  49  48   -0.17200
 H       1.12263  1    109.10517  1     54.86536  1    55  53  49    0.08960
 H       1.12457  1    108.94512  1    297.95916  1    55  53  49    0.08480
 C       1.50634  1    111.92652  1    176.09229  1    55  53  49   -0.22430
 H       1.11839  1    110.49176  1    298.16100  1    58  55  53    0.09200
 H       1.11727  1    110.26763  1    178.42143  1    58  55  53    0.07780
 H       1.11876  1    110.97303  1     58.21499  1    58  55  53    0.05950
 H       1.12285  1    110.11160  1     26.62771  1    53  49  48    0.10500
 O       1.25058  1    119.82342  1    244.00673  1    47  46  18   -0.47800
 H       1.12593  1    108.89364  1    303.41796  1    46  18  17    0.15370
 H       1.12459  1    111.36909  1     61.47106  1    46  18  17    0.13040
 H       1.14452  1    109.45224  1    225.35879  1    18  17   3    0.09220
 H       1.00206  1    153.26943  1    330.21244  1    17   3   2    0.14980
 H       1.00370  1     92.50265  1    185.34445  1    17   3   2    0.17130
 N      12.39849  0     94.35127  0    340.03018  0     3   2   1   -0.33140
 C       1.46232  0     47.10766  0    254.76067  0    69   3   2   -0.12800
 C       1.52242  0    109.96185  0     63.74052  0    70  69   3    0.20600
 O       1.22259  0    122.70647  0    243.71115  0    71  70  69   -0.31790
 H       1.11343  1    115.19972  1     64.69615  1    71  70  69    0.09210
 C       1.53593  1    113.08076  1    299.69183  1    70  69   3   -0.16760
 C       1.51161  1    111.26277  1    282.21003  1    74  70  69   -0.21050
 C       1.52039  1    109.54517  1    283.89102  1    75  74  70    0.32010
 O       1.27864  1    117.90213  1    269.68915  1    76  75  74   -0.63340
 O       1.26341  1    121.56639  1     87.75084  1    76  75  74   -0.56760
 H       1.11817  1    111.23017  1     45.49590  1    75  74  70    0.06270
 H       1.12239  1    108.80342  1    164.92703  1    75  74  70    0.10320
 H       1.12142  1    110.45524  1     44.89070  1    74  70  69    0.08090
 H       1.12174  1    108.86347  1    161.34236  1    74  70  69    0.10830
 H       1.13665  1    108.22313  1    180.41561  1    70  69   3    0.15870
 H       1.00227  1    134.89553  1    182.63748  1    69   3   2    0.14920
 H       1.00256  1     64.31286  1     91.94708  1    69   3   2    0.13110
 N      11.56490  0     68.79739  0    322.18196  0     3   2   1   -0.33410
 C       1.46852  0    110.47555  0    288.43467  0    86   3   2   -0.09850
 C       1.52995  0    105.15846  0    155.37265  0    87  86   3    0.20300
 O       1.22685  0    122.41819  0    269.57918  0    88  87  86   -0.30040
 H       1.11117  1    115.21800  1     88.50709  1    88  87  86    0.08470
 C       1.53973  1    117.04191  1     31.85524  1    87  86   3   -0.12790
 C       1.52098  1    110.69343  1    313.58011  1    91  87  86   -0.16540
 C       1.50669  1    112.80273  1    190.02918  1    92  91  87   -0.20850
 H       1.11795  1    110.96177  1     67.98152  1    93  92  91    0.06570
 H       1.11755  1    110.00529  1    187.57361  1    93  92  91    0.09030
 H       1.11671  1    110.71677  1    307.46326  1    93  92  91    0.07600
 H       1.12390  1    109.50230  1    312.20436  1    92  91  87    0.08050
 H       1.12513  1    109.06558  1     69.50401  1    92  91  87    0.09030
 C       1.51468  1    108.85344  1    190.32174  1    91  87  86   -0.20020
 H       1.11688  1    110.75868  1     70.71463  1    99  91  87    0.07040
 H       1.11673  1    110.26441  1    190.80172  1    99  91  87    0.07990
 H       1.11756  1    110.16544  1    310.34944  1    99  91  87    0.06050
 H       1.12731  1    108.28179  1     72.43027  1    91  87  86    0.11010
 H       1.13050  1    107.11989  1    270.55984  1    87  86   3    0.10750
 H       1.00295  1     35.91670  1    193.64268  1    86   3   2    0.15630
 H       1.00343  1     74.71638  1     34.26726  1    86   3   2    0.15870
 N      16.87794  0     96.95425  0    285.61404  0     3   2   1   -0.32340
 C       1.46663  0     27.17430  0    209.52028  0   107   3   2   -0.06510
 C       1.52471  0    108.13509  0    213.77101  0   108 107   3    0.28090
 O       1.23815  0    116.57639  0    317.15529  0   109 108 107   -0.43200
 N       1.32775  0    118.30977  0    135.45248  0   109 108 107   -0.28520
 C       1.47342  0    117.86350  0    184.47984  0   111 109 108   -0.04530
 C       1.52829  0    110.25216  0    303.63816  0   112 111 109    0.18040
 O       1.23221  0    122.94278  0    317.80146  0   113 112 111   -0.28790
 H       1.11129  1    114.72846  1    138.62923  1   113 112 111    0.09710
 C       1.54179  1    106.71526  1    183.60800  1   112 111 109   -0.15220
 C       1.52728  1    106.38008  1      7.39499  1   116 112 111   -0.17790
 C       1.53809  1    106.98719  1    350.57786  1   117 116 112   -0.01160
 H       1.12593  1    111.26288  1    128.24204  1   118 117 116    0.09610
 H       1.12649  1    110.35390  1    248.85577  1   118 117 116    0.09420
 H       1.11903  1    110.49801  1    110.84794  1   117 116 112    0.12390
 H       1.12003  1    110.47148  1    231.05590  1   117 116 112    0.12020
 H       1.11823  1    110.98590  1    127.87442  1   116 112 111    0.10910
 H       1.11829  1    109.70241  1    247.97418  1   116 112 111    0.10600
 H       1.12512  1    108.80089  1     63.04125  1   112 111 109    0.11330
 C       1.54390  1    111.92508  1     94.58167  1   108 107   3   -0.11150
 C       1.48691  1    112.05537  1    237.42856  1   126 108 107   -0.09280
 C       1.40075  1    119.83171  1     78.21818  1   127 126 108   -0.12060
 C       1.39224  1    120.20124  1    177.49087  1   128 127 126   -0.14860
 C       1.39528  1    120.11292  1      0.02863  1   129 128 127   -0.13580
 C       1.39410  1    119.88868  1      0.33051  1   130 129 128   -0.13280
 C       1.39467  1    120.16699  1    359.76088  1   131 130 129   -0.11380
 H       1.10129  1    119.79603  1    179.89872  1   132 131 130    0.14330
 H       1.10215  1    119.90314  1    180.15281  1   131 130 129    0.14580
 H       1.10140  1    120.10935  1    180.34918  1   130 129 128    0.14130
 H       1.10034  1    120.12510  1    180.18289  1   129 128 127    0.12800
 H       1.10008  1    119.54185  1    357.38537  1   128 127 126    0.13380
 H       1.12421  1    110.17564  1    358.18233  1   126 108 107    0.09870
 H       1.12312  1    109.17888  1    115.10120  1   126 108 107    0.10170
 H       1.12879  1    106.93391  1    334.91457  1   108 107   3    0.13110
 H       1.00386  1    133.62680  1    241.43370  1   107   3   2    0.14750
 H       1.00200  1    104.89542  1    106.68207  1   107   3   2    0.14050
 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   -0.04300
 C       1.52299  0    110.19106  0     52.87280  0   144 143   3    0.26720
 O       1.24638  0    120.17788  0    138.05139  0   145 144 143   -0.41530
 N       1.35028  0    117.73900  0    319.49297  0   145 144 143   -0.35050
 C       1.46683  0    116.78461  0    184.83260  0   147 145 144   -0.03970
 C       1.52793  0    113.40179  0    245.30481  0   148 147 145    0.19830
 O       1.22892  0    121.51607  0    191.21863  0   149 148 147   -0.34900
 H       1.11341  1    117.04275  1     11.27919  1   149 148 147    0.09840
 C       1.54662  1    112.34662  1    122.83451  1   148 147 145   -0.21670
 C       1.53259  1    115.17023  1    342.19399  1   152 148 147    0.31850
 O       1.26519  1    119.16142  1    246.76432  1   153 152 148   -0.57130
 O       1.27021  1    118.81126  1     67.34549  1   153 152 148   -0.59780
 H       1.12105  1    109.48149  1    102.47738  1   152 148 147    0.08050
 H       1.11818  1    107.93594  1    219.91777  1   152 148 147    0.08890
 H       1.13442  1    109.00653  1      3.14173  1   148 147 145    0.14670
 H       1.00341  1    122.79916  1    339.28074  1   147 145 144    0.27970
 C       1.52862  1    115.30653  1    283.97627  1   144 143   3   -0.13160
 C       1.50509  1    113.14885  1     89.12606  1   160 144 143   -0.21470
 C       1.51418  1    112.57722  1    176.76961  1   161 160 144    0.31080
 O       1.25581  1    123.03840  1     13.79623  1   162 161 160   -0.45060
 N       1.36533  1    115.71826  1    193.88381  1   162 161 160   -0.42580
 H       0.98692  1    120.25557  1    184.51797  1   164 162 161    0.20750
 H       1.00391  1    119.95368  1    358.54593  1   164 162 161    0.28310
 H       1.12673  1    111.21573  1    297.98102  1   161 160 144    0.14190
 H       1.12786  1    110.52500  1     56.16268  1   161 160 144    0.13690
 H       1.12299  1    107.64729  1    209.56805  1   160 144 143    0.09390
 H       1.12214  1    110.08519  1    325.79158  1   160 144 143    0.10480
 H       1.13479  1    105.14464  1    166.62047  1   144 143   3    0.10840
 H       1.00264  1     45.42489  1     75.98378  1   143   3   2    0.14290
 H       1.00172  1     94.25833  1    323.82929  1   143   3   2    0.15360
 N      13.04654  0    105.94724  0    247.79105  0     3   2   1   -0.33450
 C       1.46056  0     63.27013  0      7.06520  0   174   3   2   -0.10080
 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   -0.33020
 H       1.10948  1    117.89924  1    325.95766  1   176 175 174    0.10100
 C       1.54394  1    116.56175  1     73.70941  1   175 174   3   -0.14120
 C       1.48715  1    112.22238  1    277.24592  1   179 175 174   -0.09940
 C       1.39878  1    120.30800  1     77.13463  1   180 179 175   -0.14010
 C       1.39383  1    120.41363  1    178.32113  1   181 180 179   -0.12450
 C       1.39383  1    119.91920  1    359.96506  1   182 181 180   -0.14000
 C       1.39587  1    120.18028  1      0.07426  1   183 182 181   -0.15660
 C       1.39466  1    119.81151  1      0.56611  1   184 183 182   -0.13780
 H       1.10079  1    119.75761  1    181.14378  1   185 184 183    0.12930
 H       1.10680  1    119.56074  1    180.86146  1   184 183 182    0.17380
 H       1.10282  1    119.96392  1    180.68431  1   183 182 181    0.14550
 H       1.10221  1    119.71192  1    180.90829  1   182 181 180    0.15370
 H       1.10247  1    120.01602  1    359.20376  1   181 180 179    0.15650
 H       1.12309  1    109.69829  1     39.04394  1   179 175 174    0.10110
 H       1.12372  1    108.57835  1    156.37301  1   179 175 174    0.09740
 H       1.13480  1    106.85015  1    313.19582  1   175 174   3    0.12690
 H       1.00393  1     46.45204  1    177.94284  1   174   3   2    0.17030
 H       1.00399  1    129.53949  1    102.09647  1   174   3   2    0.15360
 N      13.97432  0     94.15818  0    232.02148  0     3   2   1   -0.33480
 C       1.46430  0     52.34679  0    324.34835  0   196   3   2   -0.10250
 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   -0.30890
 H       1.10727  1    118.12129  1    318.77777  1   198 197 196    0.11810
 C       1.53530  1    115.50487  1     12.77814  1   197 196   3   -0.16640
 C       1.48796  1    114.20528  1    300.36370  1   201 197 196   -0.07090
 C       1.39849  1    122.76324  1    331.60973  1   202 201 197   -0.14960
 C       1.39572  1    120.48050  1    180.99159  1   203 202 201   -0.12620
 C       1.39315  1    120.27567  1      0.50367  1   204 203 202   -0.13130
 C       1.39601  1    119.61148  1      0.04533  1   205 204 203   -0.12430
 C       1.39234  1    120.17921  1    359.51024  1   206 205 204   -0.12570
 H       1.10352  1    119.54252  1    179.94522  1   207 206 205    0.14550
 H       1.10264  1    119.95930  1    179.35768  1   206 205 204    0.15200
 H       1.10052  1    120.68954  1    180.30633  1   205 204 203    0.13390
 H       1.09946  1    119.68178  1    180.71176  1   204 203 202    0.12110
 H       1.09974  1    120.53975  1      0.81024  1   203 202 201    0.12560
 H       1.12679  1    108.79544  1     62.65408  1   201 197 196    0.11530
 H       1.12463  1    108.32793  1    179.19986  1   201 197 196    0.10270
 H       1.13129  1    106.68750  1    251.80624  1   197 196   3    0.11570
 H       1.00339  1     70.49171  1    189.44577  1   196   3   2    0.15580
 H       1.00462  1     89.85907  1     79.80678  1   196   3   2    0.15240
 N       8.60260  0    120.32027  0    196.08209  0     3   2   1   -0.32920
 C       1.47619  0     20.65117  0    143.41566  0   218   3   2   -0.11550
 C       1.52552  0    110.97429  0     90.17809  0   219 218   3    0.20150
 O       1.23450  0    120.01759  0    133.33311  0   220 219 218   -0.29320
 H       1.10901  1    117.27318  1    311.78175  1   220 219 218    0.09490
 C       1.54192  1    114.93929  1    327.34852  1   219 218   3   -0.13930
 C       1.48702  1    111.18211  1    218.58991  1   223 219 218   -0.10690
 C       1.39995  1    120.29647  1    278.12015  1   224 223 219   -0.11870
 C       1.39430  1    120.35350  1    181.91569  1   225 224 223   -0.12190
 C       1.39477  1    119.90147  1    359.28536  1   226 225 224   -0.09930
 C       1.39535  1    119.97849  1    358.86986  1   227 226 225   -0.12910
 C       1.39300  1    120.19716  1      1.82216  1   228 227 226   -0.15300
 H       1.10008  1    119.71090  1    179.49266  1   229 228 227    0.12270
 H       1.10270  1    119.09125  1    181.61828  1   228 227 226    0.14300
 H       1.10514  1    120.67471  1    176.51478  1   227 226 225    0.16800
 H       1.10284  1    120.19538  1    177.98420  1   226 225 224    0.14870
 H       1.10055  1    119.62688  1      1.45671  1   225 224 223    0.13070
 H       1.12337  1    109.88975  1    339.68055  1   223 219 218    0.08500
 H       1.12305  1    109.84767  1     96.95593  1   223 219 218    0.09520
 H       1.13383  1    106.46816  1    207.12633  1   219 218   3    0.13890
 H       1.00139  1    111.74888  1     57.67910  1   218   3   2    0.14930
 H       1.00150  1     90.02272  1    307.69800  1   218   3   2    0.13150
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32390
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11390
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21650
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31770
 H       1.10988  1    117.35416  1    309.51717  1   242 241 240    0.10270
 C       1.54679  1    114.48300  1    308.45681  1   241 240   3   -0.13360
 C       1.51431  1    110.36358  1    180.97093  1   245 241 240   -0.22090
 H       1.11824  1    110.80937  1     61.80221  1   246 245 241    0.10960
 H       1.11802  1    110.09886  1    182.00508  1   246 245 241    0.07940
 H       1.11809  1    110.78279  1    301.51813  1   246 245 241    0.07710
 C       1.51473  1    110.47404  1    302.54864  1   245 241 240   -0.22260
 H       1.11713  1    111.38759  1     68.81942  1   250 245 241    0.05060
 H       1.11825  1    109.95753  1    188.20005  1   250 245 241    0.08630
 H       1.11722  1    110.56900  1    307.73547  1   250 245 241    0.09250
 H       1.12875  1    108.34866  1     61.66346  1   245 241 240    0.10220
 H       1.13303  1    106.68384  1    189.31391  1   241 240   3    0.13770
 H       1.00190  1    121.24139  1     11.24104  1   240   3   2    0.14140
 H       1.00404  1     51.22656  1    282.00734  1   240   3   2    0.13830
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33130
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.10120
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19650
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.33210
 H       1.11286  1    116.45382  1     29.02546  1   260 259 258    0.10000
 C       1.53272  1    114.28792  1    323.32657  1   259 258   3   -0.19810
 C       1.52310  1    111.62673  1    279.99614  1   263 259 258   -0.10860
 C       1.51476  1    111.22275  1    153.92662  1   264 263 259   -0.21880
 H       1.11647  1    110.62919  1     66.28347  1   265 264 263    0.06660
 H       1.12190  1    109.43933  1    186.69246  1   265 264 263    0.12370
 H       1.11774  1    110.53701  1    305.83096  1   265 264 263    0.06610
 C       1.51585  1    110.90742  1    276.67677  1   264 263 259   -0.22400
 H       1.11651  1    110.67004  1     67.47488  1   269 264 263    0.05640
 H       1.11776  1    110.04222  1    187.74979  1   269 264 263    0.10220
 H       1.11876  1    110.88639  1    307.13787  1   269 264 263    0.08680
 H       1.12781  1    108.82662  1     36.16750  1   264 263 259    0.08760
 H       1.12385  1    109.69608  1     41.95978  1   263 259 258    0.09360
 H       1.12133  1    109.14406  1    159.09783  1   263 259 258    0.10450
 H       1.13619  1    106.55660  1    204.40873  1   259 258   3    0.12330
 H       1.00348  1     99.84789  1    292.40076  1   258   3   2    0.16050
 H       1.00427  1     31.59621  1    185.23617  1   258   3   2    0.14810
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33380
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.03740
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.28590
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.43150
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.28860
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.04600
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18640
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.29280
 H       1.11086  1    117.74020  1    334.52594  1   285 284 283    0.08970
 C       1.54120  1    107.56983  1    176.99778  1   284 283 281   -0.15200
 C       1.52348  1    106.43544  1    359.10401  1   288 284 283   -0.16850
 C       1.53713  1    106.75812  1      2.28130  1   289 288 284   -0.02160
 H       1.12624  1    108.94608  1    116.70381  1   290 289 288    0.05550
 H       1.12421  1    110.50146  1    236.54701  1   290 289 288    0.11690
 H       1.11734  1    111.11487  1    122.70439  1   289 288 284    0.07520
 H       1.12017  1    110.71884  1    243.10818  1   289 288 284    0.11750
 H       1.11788  1    111.01693  1    120.43391  1   288 284 283    0.07890
 H       1.12103  1    109.26155  1    239.75571  1   288 284 283    0.12450
 H       1.13573  1    108.42998  1     58.13390  1   284 283 281    0.17070
 C       1.53555  1    114.39232  1    341.48962  1   280 279   3   -0.10760
 C       1.46891  1    113.34944  1    317.57579  1   298 280 279   -0.13120
 C       1.39523  1    125.77824  1    115.20989  1   299 298 280   -0.08170
 N       1.40030  1    110.40827  1    180.54448  1   300 299 298   -0.21100
 C       1.39960  1    108.01837  1    356.64323  1   301 300 299   -0.00320
 C       1.44818  1    108.17927  1      3.72216  1   302 301 300   -0.06220
 C       1.39455  1    119.28891  1    177.30097  1   303 302 301   -0.05940
 C       1.38861  1    118.97403  1      0.63707  1   304 303 302   -0.17160
 C       1.40540  1    121.35732  1    359.70234  1   305 304 303   -0.12330
 C       1.38724  1    121.55071  1      0.00000  1   306 305 304   -0.16150
 H       1.09709  1    121.18467  1    179.54138  1   307 306 305    0.12020
 H       1.09954  1    119.04372  1    179.73492  1   306 305 304    0.11480
 H       1.09935  1    119.59281  1    179.69401  1   305 304 303    0.12370
 H       1.10029  1    120.08652  1    180.22999  1   304 303 302    0.14420
 H       0.98551  1    124.09396  1    196.91524  1   301 300 299    0.24120
 H       1.09644  1    129.40774  1      0.96141  1   300 299 298    0.18690
 H       1.12540  1    110.37375  1     81.41243  1   298 280 279    0.11830
 H       1.12542  1    107.29618  1    197.06638  1   298 280 279    0.11670
 H       1.13524  1    104.60142  1    224.39941  1   280 279   3    0.12800
 H       1.00111  1     50.66630  1    231.04272  1   279   3   2    0.14560
 H       1.00014  1    137.67526  1    156.31582  1   279   3   2    0.13780
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34820
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09390
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20610
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30400
 H       1.10824  1    116.33217  1    135.01091  1   321 320 319    0.08850
 C       1.54723  1    115.29411  1     49.70940  1   320 319   3   -0.13930
 C       1.52513  1    109.86682  1    295.80765  1   324 320 319   -0.16290
 C       1.50726  1    113.15943  1    167.26583  1   325 324 320   -0.22520
 H       1.11662  1    111.10972  1     71.76300  1   326 325 324    0.06510
 H       1.12226  1    109.93042  1    191.65865  1   326 325 324    0.11790
 H       1.11750  1    110.75884  1    310.87907  1   326 325 324    0.06860
 H       1.12367  1    109.11556  1    289.51393  1   325 324 320    0.08270
 H       1.12426  1    110.30369  1     46.92775  1   325 324 320    0.09020
 C       1.51321  1    110.12047  1    173.50230  1   324 320 319   -0.21750
 H       1.11744  1    110.82550  1     56.51631  1   332 324 320    0.07330
 H       1.11840  1    109.93150  1    176.30211  1   332 324 320    0.08820
 H       1.11749  1    110.68249  1    295.68661  1   332 324 320    0.06590
 H       1.12663  1    108.38310  1     54.57542  1   324 320 319    0.10960
 H       1.13411  1    105.94731  1    291.75501  1   320 319   3    0.10230
 H       1.00351  1     19.29244  1    321.09099  1   319   3   2    0.16920
 H       1.00324  1    107.92225  1    224.97398  1   319   3   2    0.16180
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.35280
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04730
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27500
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42070
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36120
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02890
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18200
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31650
 H       1.11450  1    115.54455  1    318.86608  1   346 345 344    0.12130
 C       1.53854  1    112.13351  1    158.19131  1   345 344 342   -0.16740
 C       1.52267  1    111.27655  1    200.93070  1   349 345 344   -0.11530
 C       1.51495  1    111.08001  1     80.70696  1   350 349 345   -0.20870
 H       1.11699  1    110.65392  1     61.93476  1   351 350 349    0.07880
 H       1.11652  1    110.23913  1    181.86389  1   351 350 349    0.07180
 H       1.11709  1    110.66111  1    301.79379  1   351 350 349    0.07540
 C       1.51511  1    110.28801  1    203.03405  1   350 349 345   -0.20950
 H       1.11686  1    110.76407  1     62.87890  1   355 350 349    0.06420
 H       1.11738  1    109.97175  1    182.66194  1   355 350 349    0.06810
 H       1.11722  1    110.58142  1    302.48847  1   355 350 349    0.08450
 H       1.12866  1    108.45282  1    321.65432  1   350 349 345    0.09950
 H       1.12241  1    110.21068  1    322.24644  1   349 345 344    0.09910
 H       1.12210  1    109.02704  1     79.55080  1   349 345 344    0.08610
 H       1.13461  1    107.15284  1     38.79951  1   345 344 342    0.11880
 H       1.00376  1    122.33202  1     12.13122  1   344 342 341    0.29190
 C       1.52230  1    114.44546  1    321.49260  1   341 340   3   -0.21700
 H       1.11976  1    111.32523  1     52.89543  1   364 341 340    0.10760
 H       1.11652  1    109.50010  1    173.71213  1   364 341 340    0.07400
 H       1.11688  1    110.02048  1    293.13274  1   364 341 340    0.08450
 H       1.13273  1    106.18386  1    201.98511  1   341 340   3    0.10150
 H       1.00641  1     42.31356  1    105.06943  1   340   3   2    0.18040
 H       1.00266  1    110.33801  1     11.08973  1   340   3   2    0.15360
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34770
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06030
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.26890
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38860
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37000
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03460
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18750
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31330
 H       1.11342  1    115.18602  1     61.74411  1   377 376 375    0.10130
 C       1.53698  1    112.76298  1    149.12097  1   376 375 373   -0.12590
 C       1.48654  1    112.65938  1    308.30122  1   380 376 375   -0.09220
 C       1.39991  1    120.51715  1    286.93205  1   381 380 376   -0.11970
 C       1.39445  1    120.40913  1    179.08304  1   382 381 380   -0.13050
 C       1.39550  1    119.90932  1      0.78478  1   383 382 381   -0.12390
 C       1.39472  1    120.09051  1    359.41167  1   384 383 382   -0.13610
 C       1.39459  1    119.94181  1    359.90858  1   385 384 383   -0.13700
 H       1.10092  1    119.84411  1    181.70674  1   386 385 384    0.12200
 H       1.10316  1    120.16440  1    180.85377  1   385 384 383    0.14110
 H       1.10067  1    119.73801  1    180.36349  1   384 383 382    0.13250
 H       1.10683  1    119.91730  1    181.86519  1   383 382 381    0.17260
 H       1.10031  1    119.86087  1      0.25351  1   382 381 380    0.13250
 H       1.12319  1    109.06817  1     71.34421  1   380 376 375    0.10100
 H       1.12258  1    107.22619  1    187.13575  1   380 376 375    0.09430
 H       1.13531  1    107.67891  1     29.20704  1   376 375 373    0.13510
 H       0.99685  1    121.46688  1    355.45342  1   375 373 372    0.24700
 C       1.54315  1    111.55345  1    314.94030  1   372 371   3   -0.09270
 C       1.47226  1    111.30456  1    193.38723  1   396 372 371   -0.10640
 N       1.39761  1    123.92151  1     69.24736  1   397 396 372   -0.17630
 C       1.39290  1    106.76075  1    182.16060  1   398 397 396   -0.10610
 N       1.35445  1    111.44232  1    358.07292  1   399 398 397   -0.19610
 C       1.38959  1    105.93283  1      1.05952  1   400 399 398   -0.19290
 H       1.09092  1    121.97117  1    179.72427  1   401 400 399    0.17460
 H       1.09523  1    122.94900  1    178.41090  1   399 398 397    0.19740
 H       0.99878  1    124.67921  1    350.94565  1   398 397 396    0.29740
 H       1.12728  1    108.53363  1    314.33234  1   396 372 371    0.12110
 H       1.12231  1    110.88386  1     72.32976  1   396 372 371    0.09390
 H       1.14204  1    107.09716  1    196.79194  1   372 371   3    0.19710
 H       0.99944  1     77.07859  1    175.36586  1   371   3   2    0.15510
 H       0.99822  1    135.98025  1     69.40815  1   371   3   2    0.15160
 H       4.43196  1    103.37237  1    339.56106  1     3   2   1    0.20900
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.43220
 H       0.96429  1    103.88831  1    319.64069  1   411 410   3    0.21690

