


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.35130
 C       1.43541  0      0.00000  0      0.00000  0     1   0   0   -0.10100
 C       1.51361  0    105.85431  0      0.00000  0     2   1   0    0.18450
 O       1.21823  0    118.28448  0    316.65614  0     3   2   1   -0.30340
 H       1.10914  1    117.74248  1    136.70516  1     3   2   1    0.09240
 C       1.53463  1    111.48806  1     84.81694  1     2   3   4   -0.15370
 C       1.51135  1    112.86604  1     56.59751  1     6   2   3   -0.23240
 C       1.52950  1    113.00343  1     77.53289  1     7   6   2    0.32650
 O       1.26548  1    120.04148  1    296.93204  1     8   7   6   -0.58140
 O       1.27326  1    118.24642  1    117.23326  1     8   7   6   -0.62040
 H       1.12241  1    108.90272  1    197.92638  1     7   6   2    0.08670
 H       1.12053  1    110.52704  1    315.80766  1     7   6   2    0.06500
 H       1.12405  1    108.24720  1    176.86716  1     6   2   3    0.08490
 H       1.12312  1    109.46790  1    292.81021  1     6   2   3    0.08120
 H       1.13799  1    108.50436  1    200.83757  1     2   3   4    0.14560
 H       1.00420  1    109.76066  1    160.45534  1     1   2   3    0.13290
 H       1.00918  1    111.26116  1     41.85370  1     1   2   3    0.16890
 N       7.96014  0     75.09678  0    335.36568  0     3   2   1   -0.34710
 C       1.43306  0     42.93610  0    322.43062  0    18   3   2   -0.06820
 C       1.48866  0    114.42599  0    125.51033  0    19  18   3    0.33170
 O       1.22130  0    115.93694  0     35.03719  0    20  19  18   -0.41300
 N       1.33108  0    117.44794  0    215.43053  0    20  19  18   -0.35930
 C       1.45235  0    123.47707  0    179.52223  0    22  20  19   -0.02880
 C       1.53754  0    111.92080  0    301.14966  0    23  22  20    0.18320
 O       1.25976  0    125.74037  0    157.66496  0    24  23  22   -0.33920
 H       1.11385  1    115.33092  1    337.65628  1    24  23  22    0.09330
 C       1.54489  1    112.33775  1    178.68993  1    23  22  20   -0.06670
 C       1.46277  1    109.79224  1    276.17599  1    27  23  22   -0.24520
 C       1.40472  1    128.09575  1     92.11170  1    28  27  23   -0.02680
 N       1.38479  1    110.68954  1    182.33928  1    29  28  27   -0.19090
 C       1.39778  1    107.87822  1    359.20976  1    30  29  28   -0.01570
 C       1.45094  1    108.54845  1      1.01574  1    31  30  29   -0.07750
 C       1.39667  1    120.00295  1    179.38509  1    32  31  30   -0.12290
 C       1.38503  1    119.06526  1      0.82838  1    33  32  31   -0.17030
 C       1.40688  1    120.93916  1      0.82031  1    34  33  32   -0.14850
 C       1.38459  1    121.62726  1    359.04524  1    35  34  33   -0.11290
 H       1.09863  1    121.47602  1    176.75439  1    36  35  34    0.16260
 H       1.09959  1    119.19251  1    178.59227  1    35  34  33    0.11890
 H       1.09860  1    119.95391  1    180.19728  1    34  33  32    0.10180
 H       1.09892  1    119.81139  1    180.53257  1    33  32  31    0.11770
 H       1.03321  1    123.39373  1    172.70235  1    30  29  28    0.32860
 H       1.09853  1    129.05957  1      3.23343  1    29  28  27    0.19830
 H       1.12304  1    110.96015  1     39.23662  1    27  23  22    0.09900
 H       1.12431  1    107.58415  1    156.81224  1    27  23  22    0.09560
 H       1.13489  1    108.34820  1     58.82716  1    23  22  20    0.13600
 H       0.99849  1    122.12595  1      0.13902  1    22  20  19    0.26420
 C       1.53452  1    113.20063  1    345.41597  1    19  18   3   -0.16250
 C       1.50722  1    109.10785  1    203.99516  1    47  19  18    0.30720
 O       1.24115  1    124.14225  1    241.48372  1    48  47  19   -0.41670
 O       1.34911  1    117.22464  1     58.56927  1    48  47  19   -0.26890
 C       1.51584  0    114.81125  1    190.68078  1    50  48  47   -0.00110
 H       1.11902  1    109.27690  1     28.34631  1    51  50  48    0.13050
 H       1.11754  1    105.62579  1    269.93084  1    51  50  48    0.12340
Cl       3.19300  1    159.26568  1    341.20093  1    51  50  48   -0.84770
 C       1.51122  1    105.07426  1    149.18119  1    51  50  48   -0.15750
 H       1.12423  1    110.01167  1    351.70197  1    55  51  50    0.08440
 H       1.12324  1    108.73649  1    234.20694  1    55  51  50    0.09140
 C       1.51280  1    111.75822  1    113.56669  1    55  51  50   -0.17180
 H       1.12300  1    109.63292  1    302.75613  1    58  55  51    0.08890
 C       1.50610  1    111.02575  1    181.30123  1    58  55  51   -0.21360
 H       1.11837  1    110.35224  1    300.18501  1    60  58  55    0.06380
 H       1.11789  1    110.44114  1    180.28089  1    60  58  55    0.06720
 H       1.11903  1    110.94939  1     60.21928  1    60  58  55    0.06860
 H       1.12479  1    108.96421  1     60.39323  1    58  55  51    0.10830
 H       1.12404  1    110.08214  1    322.65552  1    47  19  18    0.15640
 H       1.12013  1    112.90133  1     82.96202  1    47  19  18    0.12790
 H       1.16417  1    106.96895  1    234.33218  1    19  18   3    0.08810
 H       1.00169  1    150.69265  1    352.47976  1    18   3   2    0.16740
 H       1.00112  1     93.71588  1    207.18478  1    18   3   2    0.16630
 N      11.18390  0     45.95169  0    335.35266  0     3   2   1   -0.33380
 C       1.48474  0    109.83433  0    318.64400  0    70   3   2   -0.09950
 C       1.54617  0    110.48582  0    112.74304  0    71  70   3    0.20000
 O       1.23698  0    121.33134  0    141.68350  0    72  71  70   -0.32610
 H       1.11010  1    116.35520  1    320.13687  1    72  71  70    0.10330
 C       1.53002  1    116.58975  1    351.49890  1    71  70   3   -0.15210
 C       1.48731  1    115.83884  1    288.73009  1    75  71  70   -0.07440
 C       1.39732  1    123.99572  1    351.42411  1    76  75  71   -0.14130
 C       1.39615  1    120.34256  1    180.09107  1    77  76  75   -0.13330
 C       1.39247  1    120.41033  1      0.62855  1    78  77  76   -0.13610
 C       1.39603  1    119.62474  1      0.24679  1    79  78  77   -0.12410
 C       1.39156  1    120.13620  1    358.93594  1    80  79  78   -0.12510
 H       1.10478  1    119.72122  1    182.16363  1    81  80  79    0.15670
 H       1.10276  1    120.13858  1    179.72599  1    80  79  78    0.14740
 H       1.10142  1    120.47069  1    181.62495  1    79  78  77    0.13660
 H       1.09973  1    119.71236  1    181.46183  1    78  77  76    0.12420
 H       1.09942  1    121.00429  1      0.77056  1    77  76  75    0.12810
 H       1.12672  1    109.23642  1     52.15016  1    75  71  70    0.10720
 H       1.12659  1    107.86557  1    167.97203  1    75  71  70    0.09820
 H       1.12840  1    106.63688  1    229.18123  1    71  70   3    0.11660
 H       1.00524  1     61.16990  1    217.56134  1    70   3   2    0.17490
 H       1.00417  1     49.02448  1     57.42740  1    70   3   2    0.14750
 N      16.98887  0     78.77108  0    276.65240  0     3   2   1   -0.32990
 C       1.47352  0     50.04108  0    198.47436  0    92   3   2   -0.10250
 C       1.54084  0    112.94709  0     70.56927  0    93  92   3    0.19530
 O       1.24033  0    121.30901  0    176.74567  0    94  93  92   -0.29960
 H       1.10989  1    116.97402  1    356.69310  1    94  93  92    0.10140
 C       1.54779  1    112.57652  1    309.34374  1    93  92   3   -0.15470
 C       1.49023  1    110.46100  1     48.32923  1    97  93  92   -0.06370
 C       1.40017  1    120.45127  1     87.11603  1    98  97  93   -0.13510
 C       1.39327  1    120.30202  1    182.68948  1    99  98  97   -0.11630
 C       1.39483  1    120.18393  1    359.43972  1   100  99  98   -0.13310
 C       1.39426  1    119.79294  1    359.78250  1   101 100  99   -0.13650
 C       1.39428  1    120.12211  1      0.47915  1   102 101 100   -0.14250
 H       1.09968  1    119.95461  1    181.19294  1   103 102 101    0.12020
 H       1.09918  1    119.96777  1    181.11295  1   102 101 100    0.12020
 H       1.09953  1    119.96689  1    180.38727  1   101 100  99    0.13240
 H       1.10225  1    119.68533  1    180.23758  1   100  99  98    0.14390
 H       1.10235  1    119.67693  1      3.33399  1    99  98  97    0.14640
 H       1.12337  1    109.71469  1    170.17402  1    97  93  92    0.13680
 H       1.12156  1    109.61885  1    286.97549  1    97  93  92    0.10510
 H       1.12705  1    107.62721  1    189.14867  1    93  92   3    0.12800
 H       1.00258  1    111.57243  1    102.43070  1    92   3   2    0.14040
 H       1.00353  1     60.84237  1      3.27620  1    92   3   2    0.14380
 N      17.89408  0     97.90475  0    267.28960  0     3   2   1   -0.29150
 C       1.43736  0    110.29372  0    222.59590  0   114   3   2   -0.11450
 C       1.49667  0    113.30282  0     44.24659  0   115 114   3    0.18240
 O       1.21152  0    117.76296  0    341.83825  0   116 115 114   -0.30270
 H       1.10995  1    117.49043  1    162.08374  1   116 115 114    0.11190
 C       1.55134  1    110.04616  1    279.57253  1   115 114   3   -0.17280
 C       1.52290  1    105.33966  1    359.11958  1   119 115 114   -0.17520
 C       1.53714  1    105.91993  1    356.13322  1   120 119 115   -0.09060
 H       1.12266  1    110.79440  1    130.79048  1   121 120 119    0.08460
 H       1.12450  1    110.12797  1    249.84761  1   121 120 119    0.07010
 H       1.11801  1    110.68542  1    116.21766  1   120 119 115    0.10990
 H       1.11625  1    111.18687  1    235.90655  1   120 119 115    0.07650
 H       1.12262  1    112.39073  1    120.44416  1   119 115 114    0.16090
 H       1.11650  1    109.75389  1    239.36589  1   119 115 114    0.08780
 H       1.13350  1    106.60086  1    162.34665  1   115 114   3    0.09330
 H       1.00632  1     33.28795  1    321.80661  1   114   3   2    0.16850
 N      17.12834  0    109.64320  0    254.84939  0     3   2   1   -0.35030
 C       1.45843  0     53.82819  0    185.26230  0   130   3   2   -0.06860
 C       1.54573  0    115.39702  0    325.30114  0   131 130   3    0.17460
 O       1.21650  0    121.78862  0    193.10814  0   132 131 130   -0.30630
 H       1.11464  1    116.17101  1     14.18291  1   132 131 130    0.07860
 C       1.53308  1    113.29858  1    196.52859  1   131 130   3   -0.22390
 C       1.53494  1    116.80722  1     36.02496  1   135 131 130    0.33400
 O       1.26991  1    120.18449  1     26.19213  1   136 135 131   -0.61260
 O       1.26468  1    117.17891  1    205.99349  1   136 135 131   -0.57960
 H       1.12041  1    108.83698  1    157.71179  1   135 131 130    0.10020
 H       1.12019  1    108.23982  1    274.69857  1   135 131 130    0.07390
 H       1.13603  1    105.63286  1     78.85893  1   131 130   3    0.07990
 H       1.00628  1    133.87727  1    101.13284  1   130   3   2    0.18180
 H       1.00386  1     56.27561  1     17.53399  1   130   3   2    0.12070
 N      12.50007  0     97.91996  0    261.63373  0     3   2   1   -0.33460
 C       1.44534  0     57.31406  0    322.50817  0   144   3   2   -0.08720
 C       1.53835  0    116.53274  0    230.26398  0   145 144   3    0.19580
 O       1.24316  0    120.46732  0    146.99107  0   146 145 144   -0.30710
 H       1.10856  1    117.16466  1    325.45322  1   146 145 144    0.09860
 C       1.55236  1    113.66608  1    106.43720  1   145 144   3   -0.16350
 C       1.48704  1    113.62064  1    184.97635  1   149 145 144   -0.07780
 C       1.40086  1    120.58326  1     71.66959  1   150 149 145   -0.13010
 C       1.39434  1    120.53305  1    179.04534  1   151 150 149   -0.12560
 C       1.39544  1    120.05759  1      0.76230  1   152 151 150   -0.14280
 C       1.39470  1    119.74077  1    358.66725  1   153 152 151   -0.13950
 C       1.39390  1    120.24624  1      0.63621  1   154 153 152   -0.13490
 H       1.09959  1    119.87311  1    180.31660  1   155 154 153    0.11800
 H       1.09908  1    119.93031  1    180.66794  1   154 153 152    0.11760
 H       1.10248  1    119.81226  1    179.01011  1   153 152 151    0.14370
 H       1.10767  1    119.84818  1    181.99380  1   152 151 150    0.17550
 H       1.10240  1    119.95867  1    358.72010  1   151 150 149    0.14720
 H       1.12555  1    107.96123  1    305.25975  1   149 145 144    0.09730
 H       1.12372  1    109.16690  1     61.19052  1   149 145 144    0.10100
 H       1.13605  1    106.13430  1    349.17827  1   145 144   3    0.12550
 H       1.00144  1     73.59462  1     90.51609  1   144   3   2    0.17110
 H       1.00214  1    167.45682  1    346.63597  1   144   3   2    0.14920
 N      10.94337  0    106.51163  0    240.89105  0     3   2   1   -0.34150
 C       1.46213  0     14.86456  0    265.09140  0   166   3   2   -0.09200
 C       1.54890  0    109.51012  0    131.27165  0   167 166   3    0.22280
 O       1.23101  0    125.00583  0    126.76891  0   168 167 166   -0.33790
 H       1.11412  1    113.71386  1    304.85922  1   168 167 166    0.09910
 C       1.54930  1    110.25171  1     11.97703  1   167 166   3   -0.11540
 C       1.46251  1    118.83621  1    162.36559  1   171 167 166   -0.23080
 C       1.40796  1    125.77799  1    253.93962  1   172 171 167   -0.07750
 N       1.38564  1    111.13736  1    190.68300  1   173 172 171   -0.19200
 C       1.39663  1    107.47828  1      1.81115  1   174 173 172   -0.01780
 C       1.45103  1    108.81896  1    358.16396  1   175 174 173   -0.06670
 C       1.39662  1    119.67110  1    179.13700  1   176 175 174   -0.12210
 C       1.38506  1    119.09351  1      0.35339  1   177 176 175   -0.15370
 C       1.40611  1    121.09240  1    359.87635  1   178 177 176   -0.15720
 C       1.38387  1    121.62262  1    359.88775  1   179 178 177   -0.11110
 H       1.10009  1    120.68568  1    180.55786  1   180 179 178    0.15130
 H       1.10227  1    119.81878  1    181.56963  1   179 178 177    0.13420
 H       1.09941  1    119.75341  1    181.26203  1   178 177 176    0.10690
 H       1.09918  1    119.93621  1    182.07771  1   177 176 175    0.12640
 H       1.04054  1    124.70347  1    167.05573  1   174 173 172    0.32830
 H       1.09457  1    128.41293  1      9.56314  1   173 172 171    0.16440
 H       1.12688  1    106.88910  1    285.03325  1   171 167 166    0.10220
 H       1.12954  1    107.89118  1     40.12417  1   171 167 166    0.08520
 H       1.12456  1    108.95204  1    250.95401  1   167 166   3    0.11140
 H       1.00281  1     99.08517  1    132.01749  1   166   3   2    0.15690
 H       1.00434  1    104.12575  1     20.02786  1   166   3   2    0.14810
 N      10.01719  0    101.54687  0    205.40459  0     3   2   1   -0.33290
 C       1.44716  0     60.44593  0    312.77637  0   192   3   2   -0.06370
 C       1.51484  0    114.54894  0    162.40538  0   193 192   3    0.32070
 O       1.23614  0    116.70478  0    115.46584  0   194 193 192   -0.39340
 N       1.35879  0    120.55811  0    294.85307  0   194 193 192   -0.37020
 C       1.46169  0    117.94215  0    183.10701  0   196 194 193   -0.04460
 C       1.50738  0    120.92050  0    281.62350  0   197 196 194    0.19420
 O       1.23358  0    117.93172  0    174.66855  0   198 197 196   -0.31780
 H       1.10893  1    119.05855  1    356.28615  1   198 197 196    0.10410
 C       1.55405  1    111.12796  1    154.33928  1   197 196 194   -0.11090
 C       1.51222  1    111.38079  1    298.71356  1   201 197 196   -0.20930
 H       1.11733  1    111.56906  1     69.14406  1   202 201 197    0.08690
 H       1.11724  1    109.75351  1    188.83940  1   202 201 197    0.07350
 H       1.11679  1    110.57048  1    308.55502  1   202 201 197    0.08560
 C       1.51254  1    111.98491  1     63.59757  1   201 197 196   -0.21370
 H       1.11700  1    110.43800  1     48.44554  1   206 201 197    0.06720
 H       1.11727  1    109.78875  1    168.11010  1   206 201 197    0.07700
 H       1.11681  1    111.61527  1    287.51318  1   206 201 197    0.08140
 H       1.12918  1    105.76872  1    181.50643  1   201 197 196    0.10510
 H       1.14256  1    105.45942  1     38.97927  1   197 196 194    0.14070
 H       0.98860  1    122.47755  1      2.88328  1   196 194 193    0.24710
 C       1.54186  1    116.47837  1     34.19672  1   193 192   3   -0.19590
 C       1.52264  1    112.18594  1    274.57707  1   213 193 192   -0.10640
 C       1.51633  1    110.07251  1    167.06392  1   214 213 193   -0.22780
 H       1.11981  1    110.96410  1     66.59201  1   215 214 213    0.11010
 H       1.11774  1    110.06543  1    185.55442  1   215 214 213    0.08380
 H       1.11662  1    110.77506  1    305.04346  1   215 214 213    0.08510
 C       1.51557  1    111.89945  1    288.61914  1   214 213 193   -0.20540
 H       1.11591  1    111.56089  1     63.15594  1   219 214 213    0.04980
 H       1.11716  1    109.71417  1    183.20481  1   219 214 213    0.07790
 H       1.11725  1    110.38116  1    302.19349  1   219 214 213    0.09090
 H       1.12923  1    108.33102  1     48.72469  1   214 213 193    0.07910
 H       1.12295  1    109.88769  1     36.13302  1   213 193 192    0.09410
 H       1.12181  1    109.63368  1    153.94749  1   213 193 192    0.09590
 H       1.13991  1    105.31783  1    275.79895  1   193 192   3    0.12990
 H       1.00599  1     58.63240  1    171.28192  1   192   3   2    0.16280
 H       1.00488  1     94.71331  1     63.84051  1   192   3   2    0.14550
 N      11.18833  0    145.22708  0    179.37926  0     3   2   1   -0.32840
 C       1.47538  0     38.91567  0     92.42374  0   229   3   2   -0.11070
 C       1.53156  0    110.85889  0     76.62987  0   230 229   3    0.20260
 O       1.23608  0    120.93801  0    131.97322  0   231 230 229   -0.28500
 H       1.10947  1    116.62273  1    310.67490  1   231 230 229    0.09050
 C       1.54222  1    114.01753  1    314.53589  1   230 229   3   -0.14290
 C       1.48673  1    112.42769  1    213.28654  1   234 230 229   -0.09920
 C       1.39909  1    120.48913  1    247.96528  1   235 234 230   -0.11960
 C       1.39468  1    120.26777  1    181.44649  1   236 235 234   -0.11930
 C       1.39542  1    120.12958  1      0.35170  1   237 236 235   -0.14390
 C       1.39535  1    119.83471  1    359.79871  1   238 237 236   -0.13470
 C       1.39332  1    120.14624  1    359.86031  1   239 238 237   -0.13390
 H       1.09934  1    119.99678  1    179.98585  1   240 239 238    0.11400
 H       1.10009  1    119.90214  1    179.49886  1   239 238 237    0.13280
 H       1.10542  1    119.69001  1    178.98379  1   238 237 236    0.17230
 H       1.10697  1    119.92344  1    180.48570  1   237 236 235    0.17860
 H       1.10064  1    120.18873  1      1.08485  1   236 235 234    0.13710
 H       1.12480  1    109.57074  1    333.63590  1   234 230 229    0.08350
 H       1.12296  1    109.44131  1     90.39918  1   234 230 229    0.09050
 H       1.13091  1    106.76773  1    194.11199  1   230 229   3    0.14040
 H       1.00138  1    117.41282  1      6.12185  1   229   3   2    0.14550
 H       1.00165  1     71.24816  1    264.46403  1   229   3   2    0.13150
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32270
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11480
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19240
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.30040
 H       1.11134  1    116.74162  1    347.93907  1   253 252 251    0.08100
 C       1.53899  1    115.45117  1    337.71653  1   252 251   3   -0.10270
 C       1.46965  1    109.10473  1    291.00626  1   256 252 251   -0.17370
 C       1.39157  1    127.32255  1    104.78856  1   257 256 252   -0.07290
 N       1.40201  1    110.69889  1    185.13199  1   258 257 256   -0.20670
 C       1.40693  1    107.53117  1    356.09916  1   259 258 257   -0.02530
 C       1.44442  1    108.31313  1      3.72972  1   260 259 258   -0.07090
 C       1.39457  1    119.56966  1    177.57525  1   261 260 259   -0.09580
 C       1.38774  1    118.82720  1    359.62401  1   262 261 260   -0.14170
 C       1.40567  1    121.38185  1      0.03639  1   263 262 261   -0.10330
 C       1.38843  1    121.48999  1      0.36740  1   264 263 262   -0.15520
 H       1.09824  1    121.18613  1    179.25877  1   265 264 263    0.13270
 H       1.10426  1    118.56840  1    180.32037  1   264 263 262    0.16170
 H       1.10080  1    119.86007  1    179.45909  1   263 262 261    0.14240
 H       1.09979  1    120.13042  1    178.99014  1   262 261 260    0.13700
 H       0.98980  1    122.73747  1    204.03872  1   259 258 257    0.24060
 H       1.09424  1    129.09272  1      2.73572  1   258 257 256    0.16670
 H       1.12166  1    110.38118  1     52.40277  1   256 252 251    0.07950
 H       1.12390  1    108.76017  1    171.00285  1   256 252 251    0.11830
 H       1.14183  1    105.28325  1    221.54297  1   252 251   3    0.13390
 H       1.00482  1     90.07831  1    321.50246  1   251   3   2    0.16700
 H       1.00388  1     60.50614  1    211.44413  1   251   3   2    0.12970
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34280
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04280
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.33190
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41390
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.30540
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.04140
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19640
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.33270
 H       1.11062  1    117.00540  1    314.95872  1   283 282 281    0.08440
 C       1.54263  1    107.47842  1    182.70783  1   282 281 279   -0.15440
 C       1.52555  1    105.72189  1    350.77255  1   286 282 281   -0.16620
 C       1.53930  1    106.65318  1     11.17517  1   287 286 282   -0.04250
 H       1.12546  1    109.47863  1    109.50791  1   288 287 286    0.06450
 H       1.13318  1    111.08370  1    229.60041  1   288 287 286    0.18050
 H       1.11705  1    111.47644  1    131.84948  1   287 286 282    0.06790
 H       1.11996  1    110.57086  1    251.95665  1   287 286 282    0.12080
 H       1.11761  1    110.81901  1    111.21861  1   286 282 281    0.06250
 H       1.11774  1    109.55493  1    230.71500  1   286 282 281    0.11390
 H       1.13804  1    109.23931  1     63.37971  1   282 281 279    0.17030
 C       1.54538  1    115.19964  1    333.42069  1   278 277   3   -0.19240
 C       1.48915  1    111.12542  1    303.43982  1   296 278 277   -0.07010
 C       1.40064  1    120.72350  1    299.02567  1   297 296 278   -0.13610
 C       1.39368  1    120.41087  1    180.17678  1   298 297 296   -0.15590
 C       1.39448  1    120.03934  1      0.42324  1   299 298 297   -0.16200
 C       1.39443  1    119.78750  1      0.36574  1   300 299 298   -0.13920
 C       1.39488  1    120.47691  1    359.45347  1   301 300 299   -0.10050
 H       1.11396  1    120.21522  1    178.64996  1   302 301 300    0.21900
 H       1.09962  1    120.24215  1    178.66991  1   301 300 299    0.12670
 H       1.09833  1    120.01001  1    179.64284  1   300 299 298    0.10120
 H       1.09850  1    119.82832  1    179.74482  1   299 298 297    0.10480
 H       1.10051  1    119.67464  1    359.08115  1   298 297 296    0.13320
 H       1.12958  1    110.23129  1     65.40835  1   296 278 277    0.16200
 H       1.12157  1    108.37104  1    183.26172  1   296 278 277    0.12000
 H       1.14055  1    105.98425  1    215.86576  1   278 277   3    0.11390
 H       1.00462  1     97.03180  1    302.17285  1   277   3   2    0.14820
 H       1.00545  1     60.94734  1    195.74933  1   277   3   2    0.15310
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.33500
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09370
 C       1.53380  0    108.58586  0    148.98325  0   314 313   3    0.20030
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.32370
 H       1.11529  1    115.09371  1    316.92601  1   315 314 313    0.08220
 C       1.54397  1    117.69269  1     27.54901  1   314 313   3   -0.13630
 C       1.51566  1    109.93942  1    188.89387  1   318 314 313   -0.21120
 H       1.11726  1    110.30157  1     66.34803  1   319 318 314    0.06970
 H       1.11761  1    109.92288  1    185.67747  1   319 318 314    0.08010
 H       1.11670  1    111.06791  1    305.95265  1   319 318 314    0.07080
 C       1.51129  1    111.77057  1    310.87336  1   318 314 313   -0.22860
 H       1.11994  1    111.25947  1     69.58824  1   323 318 314    0.09980
 H       1.12028  1    110.38386  1    188.08589  1   323 318 314    0.11400
 H       1.11728  1    110.73186  1    308.17703  1   323 318 314    0.06980
 H       1.12800  1    108.18776  1     69.77089  1   318 314 313    0.09960
 H       1.12952  1    106.33140  1    266.50744  1   314 313   3    0.11860
 H       1.00344  1     20.16017  1    344.77386  1   313   3   2    0.17440
 H       1.00273  1    101.35164  1    233.90847  1   313   3   2    0.14250
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.32510
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.08190
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.14240
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33400
 H       1.11051  1    115.55410  1    133.09277  1   333 332 331    0.11770
 C       1.53110  1    109.34846  1     59.66512  1   332 331   3   -0.19840
 C       1.51113  1    115.17622  1    187.53708  1   336 332 331    0.30580
 O       1.26747  1    122.47929  1     17.37176  1   337 336 332   -0.58910
 O       1.27423  1    117.20530  1    196.02478  1   337 336 332   -0.59480
 H       1.12370  1    108.87624  1    306.77095  1   336 332 331    0.11470
 H       1.12143  1    109.80718  1     64.90117  1   336 332 331    0.08490
 H       1.12737  1    109.64282  1    300.17903  1   332 331   3    0.14590
 H       1.00300  1    121.08030  1     28.74810  1   331   3   2    0.13810
 H       1.00192  1    126.87536  1    233.32675  1   331   3   2    0.12220
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36640
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02740
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.27890
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.41970
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36790
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04400
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19580
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29750
 H       1.10284  1    120.68038  1     53.67332  1   351 350 349    0.11060
 C       1.54992  1    109.70128  1    114.26939  1   350 349 347   -0.15650
 C       1.52022  1    114.09458  1    300.71722  1   354 350 349   -0.11260
 C       1.51626  1    109.52323  1    168.80569  1   355 354 350   -0.20230
 H       1.11640  1    110.58746  1     57.23438  1   356 355 354    0.05880
 H       1.11810  1    110.43337  1    177.36440  1   356 355 354    0.06770
 H       1.11716  1    110.31588  1    297.07191  1   356 355 354    0.08010
 C       1.51430  1    111.47196  1    291.13688  1   355 354 350   -0.20910
 H       1.11806  1    110.25407  1     64.29149  1   360 355 354    0.08960
 H       1.11786  1    110.28551  1    183.63383  1   360 355 354    0.06860
 H       1.11648  1    110.75622  1    303.71499  1   360 355 354    0.05050
 H       1.12767  1    109.75966  1     50.77438  1   355 354 350    0.09770
 H       1.12374  1    108.00767  1     63.07916  1   354 350 349    0.12410
 H       1.12137  1    108.35874  1    179.59018  1   354 350 349    0.08060
 H       1.13941  1    106.52819  1    358.54821  1   350 349 347    0.10930
 H       1.00274  1    121.61105  1    359.85362  1   349 347 346    0.28360
 C       1.53937  1    113.44500  1    354.48336  1   346 345   3   -0.17610
 C       1.52193  1    113.96981  1    302.80366  1   369 346 345   -0.09710
 C       1.51818  1    112.89231  1     82.59156  1   370 369 346   -0.22050
 H       1.11939  1    111.58978  1     26.47074  1   371 370 369    0.10780
 H       1.11770  1    110.32011  1    146.85822  1   371 370 369    0.07170
 H       1.11678  1    110.63675  1    266.02629  1   371 370 369    0.08360
 C       1.51704  1    109.37700  1    205.05821  1   370 369 346   -0.21250
 H       1.11813  1    110.77043  1     49.75406  1   375 370 369    0.05640
 H       1.11851  1    110.45513  1    170.22363  1   375 370 369    0.07530
 H       1.11717  1    110.40743  1    289.83277  1   375 370 369    0.08880
 H       1.12340  1    108.16118  1    323.02456  1   370 369 346    0.07470
 H       1.12337  1    110.36927  1     64.79213  1   369 346 345    0.10160
 H       1.12367  1    107.08083  1    181.33978  1   369 346 345    0.08230
 H       1.13110  1    106.87585  1    234.42601  1   346 345   3    0.10950
 H       1.00564  1     43.88087  1    153.51620  1   345   3   2    0.20140
 H       1.00050  1    140.06876  1     93.77864  1   345   3   2    0.13810
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34790
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.05780
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27970
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.37250
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.35940
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04520
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.17930
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31160
 H       1.10938  1    115.93488  1     81.66637  1   391 390 389    0.10710
 C       1.53244  1    114.07868  1    145.70363  1   390 389 387   -0.12810
 C       1.48702  1    112.18609  1    307.36227  1   394 390 389   -0.09710
 C       1.40092  1    120.72394  1    298.16552  1   395 394 390   -0.13380
 C       1.39432  1    120.53727  1    178.35013  1   396 395 394   -0.10840
 C       1.39629  1    119.74121  1      0.93506  1   397 396 395   -0.11390
 C       1.39397  1    120.01070  1      0.10004  1   398 397 396   -0.14540
 C       1.39403  1    120.24809  1    359.29893  1   399 398 397   -0.14850
 H       1.09972  1    119.86782  1    181.33735  1   400 399 398    0.11960
 H       1.10000  1    120.00846  1    180.78506  1   399 398 397    0.12380
 H       1.10209  1    119.64913  1    181.67135  1   398 397 396    0.14860
 H       1.10999  1    120.58102  1    182.59250  1   397 396 395    0.19350
 H       1.10034  1    119.80846  1    359.86022  1   396 395 394    0.13270
 H       1.12321  1    109.31168  1     70.56244  1   394 390 389    0.10060
 H       1.12285  1    107.36590  1    186.75256  1   394 390 389    0.09310
 H       1.13515  1    107.48580  1     25.58377  1   390 389 387    0.13310
 H       0.99719  1    121.59756  1    346.03353  1   389 387 386    0.23700
 C       1.53770  1    110.08648  1    313.27585  1   386 385   3   -0.08460
 C       1.47115  1    112.20931  1    187.59081  1   410 386 385   -0.12140
 N       1.39585  1    124.20259  1     83.11177  1   411 410 386   -0.15200
 C       1.38889  1    106.81990  1    180.11391  1   412 411 410   -0.10750
 N       1.35702  1    111.49785  1    359.07497  1   413 412 411   -0.20310
 C       1.38675  1    105.86594  1      0.37157  1   414 413 412   -0.19210
 H       1.09051  1    121.95845  1    181.22992  1   415 414 413    0.16980
 H       1.09445  1    123.18789  1    180.15128  1   413 412 411    0.19120
 H       1.00285  1    125.30877  1    355.86083  1   412 411 410    0.31350
 H       1.13118  1    107.67957  1    307.81927  1   410 386 385    0.15030
 H       1.12190  1    110.29255  1     65.99881  1   410 386 385    0.08270
 H       1.13307  1    106.88418  1    195.69839  1   386 385   3    0.16730
 H       0.99876  1     71.08426  1    195.66520  1   385   3   2    0.14290
 H       0.99756  1    124.03187  1     93.43389  1   385   3   2    0.14040
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.41730
 H       0.96421  1     66.12730  1    288.70162  1   424   3   2    0.21760
 H       0.95961  1    169.04573  1    272.07870  1   424   3   2    0.19490

