


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.34550
 C       1.43541  0      0.00000  0      0.00000  0     1   0   0   -0.09020
 C       1.51361  0    105.85431  0      0.00000  0     2   1   0    0.17420
 O       1.21823  0    118.28448  0    316.65614  0     3   2   1   -0.28590
 H       1.10949  1    117.83936  1    136.45949  1     3   2   1    0.08150
 C       1.53861  1    108.80425  1     83.16172  1     2   3   4   -0.16260
 C       1.51194  1    112.87944  1     58.99037  1     6   2   3   -0.22160
 C       1.52883  1    113.59967  1     76.90242  1     7   6   2    0.32680
 O       1.26396  1    120.29736  1    297.46440  1     8   7   6   -0.56700
 O       1.27426  1    118.17080  1    118.41249  1     8   7   6   -0.63230
 H       1.12276  1    109.09489  1    197.57372  1     7   6   2    0.05810
 H       1.12064  1    110.40541  1    315.21683  1     7   6   2    0.06470
 H       1.12191  1    108.55992  1    180.42835  1     6   2   3    0.08300
 H       1.12451  1    108.81074  1    296.69328  1     6   2   3    0.07810
 H       1.13430  1    109.65574  1    199.49792  1     2   3   4    0.13890
 H       1.00467  1    109.64662  1    164.63678  1     1   2   3    0.13860
 H       1.01132  1    111.30225  1     46.92923  1     1   2   3    0.18520
 N       7.96014  0     75.09678  0    335.36568  0     3   2   1   -0.34660
 C       1.43306  0     42.93610  0    322.43062  0    18   3   2   -0.05150
 C       1.48866  0    114.42599  0    125.51033  0    19  18   3    0.33020
 O       1.22130  0    115.93694  0     35.03719  0    20  19  18   -0.44720
 N       1.33108  0    117.44794  0    215.43053  0    20  19  18   -0.36430
 C       1.45235  0    123.47707  0    179.52223  0    22  20  19   -0.02110
 C       1.53754  0    111.92080  0    301.14966  0    23  22  20    0.18270
 O       1.25976  0    125.74037  0    157.66496  0    24  23  22   -0.35410
 H       1.11399  1    115.29738  1    338.25229  1    24  23  22    0.09900
 C       1.54108  1    114.01323  1    178.19910  1    23  22  20   -0.07470
 C       1.46552  1    110.63549  1    267.98797  1    27  23  22   -0.20100
 C       1.39972  1    126.19164  1     83.14467  1    28  27  23   -0.01440
 N       1.39109  1    109.93052  1    181.32209  1    29  28  27   -0.20320
 C       1.39791  1    108.55672  1    358.92118  1    30  29  28   -0.01940
 C       1.44907  1    108.01576  1      1.53521  1    31  30  29   -0.06960
 C       1.39536  1    119.26874  1    178.47964  1    32  31  30   -0.09820
 C       1.38708  1    119.08340  1      0.17596  1    33  32  31   -0.17490
 C       1.40591  1    121.25527  1      0.56436  1    34  33  32   -0.14550
 C       1.38552  1    121.62578  1    359.71044  1    35  34  33   -0.12440
 H       1.10028  1    121.53599  1    177.96072  1    36  35  34    0.15060
 H       1.09939  1    119.12346  1    179.48007  1    35  34  33    0.11380
 H       1.09880  1    119.76465  1    180.31634  1    34  33  32    0.10580
 H       1.09917  1    119.91323  1    180.29633  1    33  32  31    0.12700
 H       0.98950  1    125.84931  1    186.28962  1    30  29  28    0.26330
 H       1.10402  1    128.12434  1    359.50535  1    29  28  27    0.22790
 H       1.12449  1    110.67897  1     30.30201  1    27  23  22    0.11470
 H       1.12376  1    108.22714  1    148.11760  1    27  23  22    0.08800
 H       1.13527  1    108.07362  1     57.49725  1    23  22  20    0.11730
 H       1.00776  1    122.32269  1    357.31993  1    22  20  19    0.29910
 C       1.53976  1    113.31414  1    349.80637  1    19  18   3   -0.21090
 C       1.53504  1    110.51603  1    207.18438  1    47  19  18    0.31000
 O       1.28221  1    119.65000  1    259.83021  1    48  47  19   -0.64700
 O       1.26123  1    120.77898  1     83.28727  1    48  47  19   -0.53970
 C       2.91584  0    105.69464  1    189.62881  1    50  48  47   -0.07800
 H       1.12347  1     59.80968  1    343.49748  1    51  50  48    0.17540
 H       1.11601  1     76.77179  1    221.15161  1    51  50  48    0.12060
Cl       1.79856  1    165.19259  1    319.99558  1    51  50  48   -0.25970
 C       1.50345  1     80.45485  1    106.08586  1    51  50  48   -0.18330
 H       1.13141  1    105.27982  1    356.02005  1    55  51  50    0.16000
 H       1.12130  1    110.86266  1    239.85452  1    55  51  50    0.07190
 C       1.51466  1    113.03410  1    115.92833  1    55  51  50   -0.16540
 H       1.12316  1    109.79568  1    329.63093  1    58  55  51    0.08990
 C       1.50659  1    111.44740  1    208.03506  1    58  55  51   -0.21250
 H       1.11759  1    110.50874  1    306.68969  1    60  58  55    0.06060
 H       1.11783  1    110.50932  1    186.61399  1    60  58  55    0.05990
 H       1.11848  1    110.74013  1     65.98348  1    60  58  55    0.09380
 H       1.12402  1    109.61924  1     86.69829  1    58  55  51    0.06000
 H       1.12003  1    109.62503  1    325.94512  1    47  19  18    0.12570
 H       1.11771  1    111.77176  1     84.61430  1    47  19  18    0.08420
 H       1.15734  1    108.23408  1    237.17066  1    19  18   3    0.07920
 H       1.00179  1    152.86702  1    330.79597  1    18   3   2    0.14740
 H       1.00242  1     87.35738  1    199.95366  1    18   3   2    0.16520
 N      11.18390  0     45.95169  0    335.35266  0     3   2   1   -0.33190
 C       1.48474  0    109.83433  0    318.64400  0    70   3   2   -0.09940
 C       1.54617  0    110.48582  0    112.74304  0    71  70   3    0.20280
 O       1.23698  0    121.33134  0    141.68350  0    72  71  70   -0.33160
 H       1.11004  1    116.32360  1    320.33880  1    72  71  70    0.10570
 C       1.52836  1    116.79162  1    349.60340  1    71  70   3   -0.15090
 C       1.48872  1    115.36976  1    285.66799  1    75  71  70   -0.06610
 C       1.39746  1    123.78028  1    351.41442  1    76  75  71   -0.13060
 C       1.39595  1    120.43553  1    181.78203  1    77  76  75   -0.13340
 C       1.39186  1    120.38763  1      0.29438  1    78  77  76   -0.13290
 C       1.39626  1    119.59883  1    359.52105  1    79  78  77   -0.12750
 C       1.39153  1    120.07326  1      0.11350  1    80  79  78   -0.12350
 H       1.10267  1    119.80798  1    181.37745  1    81  80  79    0.14580
 H       1.10166  1    119.99038  1    181.34560  1    80  79  78    0.13650
 H       1.10029  1    120.09700  1    180.38951  1    79  78  77    0.13240
 H       1.09964  1    119.71313  1    181.33899  1    78  77  76    0.12450
 H       1.09955  1    121.09389  1      3.00302  1    77  76  75    0.12950
 H       1.12560  1    109.30653  1     49.25457  1    75  71  70    0.11180
 H       1.12617  1    108.01430  1    165.21527  1    75  71  70    0.09440
 H       1.12994  1    106.45750  1    227.86961  1    71  70   3    0.11160
 H       1.00476  1     66.46076  1    216.11271  1    70   3   2    0.17540
 H       1.00401  1     43.35222  1     56.76445  1    70   3   2    0.15340
 N      16.98887  0     78.77108  0    276.65240  0     3   2   1   -0.33420
 C       1.47352  0     50.04108  0    198.47436  0    92   3   2   -0.09010
 C       1.54084  0    112.94709  0     70.56927  0    93  92   3    0.18350
 O       1.24033  0    121.30901  0    176.74567  0    94  93  92   -0.29910
 H       1.11119  1    117.39360  1    356.73087  1    94  93  92    0.08900
 C       1.54447  1    112.98888  1    309.06246  1    93  92   3   -0.14700
 C       1.48995  1    111.14474  1     54.62490  1    97  93  92   -0.06600
 C       1.40170  1    120.30698  1     84.51897  1    98  97  93   -0.13300
 C       1.39384  1    120.45379  1    180.38482  1    99  98  97   -0.11980
 C       1.39570  1    120.07623  1    359.81322  1   100  99  98   -0.13750
 C       1.39415  1    119.82051  1    359.69644  1   101 100  99   -0.12560
 C       1.39485  1    120.18311  1      0.26123  1   102 101 100   -0.14080
 H       1.10016  1    119.81567  1    182.01286  1   103 102 101    0.12230
 H       1.09913  1    119.94771  1    181.20835  1   102 101 100    0.12220
 H       1.09983  1    119.92128  1    180.85411  1   101 100  99    0.13270
 H       1.10164  1    119.94298  1    180.71471  1   100  99  98    0.14250
 H       1.10251  1    119.48662  1      1.35959  1    99  98  97    0.14190
 H       1.12398  1    109.31174  1    176.43278  1    97  93  92    0.13940
 H       1.12190  1    109.56153  1    292.96068  1    97  93  92    0.11070
 H       1.12755  1    106.85918  1    189.01013  1    93  92   3    0.13210
 H       1.00295  1     84.47133  1     76.73882  1    92   3   2    0.14780
 H       1.00248  1     78.65765  1    327.62152  1    92   3   2    0.13040
 N      17.89408  0     97.90475  0    267.28960  0     3   2   1   -0.29450
 C       1.43736  0    110.29372  0    222.59590  0   114   3   2   -0.11190
 C       1.49667  0    113.30282  0     44.24659  0   115 114   3    0.18310
 O       1.21152  0    117.76296  0    341.83825  0   116 115 114   -0.30620
 H       1.11002  1    117.53121  1    162.00086  1   116 115 114    0.11080
 C       1.55096  1    109.93288  1    279.63001  1   115 114   3   -0.17410
 C       1.52163  1    105.43915  1    359.75752  1   119 115 114   -0.17400
 C       1.53704  1    105.91335  1    355.85719  1   120 119 115   -0.08730
 H       1.12270  1    110.81217  1    130.65499  1   121 120 119    0.08480
 H       1.12446  1    110.16216  1    249.66948  1   121 120 119    0.06990
 H       1.11838  1    110.71644  1    116.01420  1   120 119 115    0.11020
 H       1.11641  1    111.21780  1    235.61603  1   120 119 115    0.07730
 H       1.12280  1    112.35141  1    121.21577  1   119 115 114    0.16120
 H       1.11674  1    109.70338  1    240.00064  1   119 115 114    0.08800
 H       1.13338  1    106.67840  1    162.33761  1   115 114   3    0.09250
 H       1.00597  1     34.33154  1    322.01769  1   114   3   2    0.16850
 N      17.12834  0    109.64320  0    254.84939  0     3   2   1   -0.35230
 C       1.45843  0     53.82819  0    185.26230  0   130   3   2   -0.06910
 C       1.54573  0    115.39702  0    325.30114  0   131 130   3    0.17810
 O       1.21650  0    121.78862  0    193.10814  0   132 131 130   -0.30540
 H       1.11450  1    116.13748  1     14.15511  1   132 131 130    0.07760
 C       1.53339  1    113.35897  1    196.59247  1   131 130   3   -0.22610
 C       1.53553  1    116.69277  1     35.12285  1   135 131 130    0.33410
 O       1.26961  1    120.05655  1     27.52665  1   136 135 131   -0.61050
 O       1.26470  1    117.14566  1    207.22234  1   136 135 131   -0.57940
 H       1.12032  1    108.91740  1    156.94558  1   135 131 130    0.10130
 H       1.12016  1    108.27131  1    274.11594  1   135 131 130    0.07260
 H       1.13619  1    105.56298  1     78.93795  1   131 130   3    0.07920
 H       1.00619  1    135.19475  1    101.94729  1   130   3   2    0.18230
 H       1.00380  1     56.54284  1     19.17702  1   130   3   2    0.12010
 N      12.50007  0     97.91996  0    261.63373  0     3   2   1   -0.33710
 C       1.44534  0     57.31406  0    322.50817  0   144   3   2   -0.08420
 C       1.53835  0    116.53274  0    230.26398  0   145 144   3    0.19430
 O       1.24316  0    120.46732  0    146.99107  0   146 145 144   -0.31200
 H       1.10875  1    117.19882  1    325.70719  1   146 145 144    0.10130
 C       1.55214  1    113.34827  1    106.41060  1   145 144   3   -0.16700
 C       1.48669  1    113.83157  1    182.97501  1   149 145 144   -0.06960
 C       1.40030  1    120.47908  1     70.01586  1   150 149 145   -0.12190
 C       1.39406  1    120.37271  1    179.22572  1   151 150 149   -0.12140
 C       1.39539  1    120.16847  1      0.08092  1   152 151 150   -0.14780
 C       1.39430  1    119.73212  1    359.23269  1   153 152 151   -0.13450
 C       1.39360  1    120.19414  1      0.65985  1   154 153 152   -0.13300
 H       1.09982  1    119.87138  1    180.21360  1   155 154 153    0.12240
 H       1.09912  1    119.92126  1    180.47362  1   154 153 152    0.11750
 H       1.10194  1    119.90635  1    179.52015  1   153 152 151    0.13810
 H       1.10233  1    119.64619  1    180.74367  1   152 151 150    0.14360
 H       1.10305  1    119.97799  1    358.93490  1   151 150 149    0.15170
 H       1.12574  1    107.91086  1    303.47387  1   149 145 144    0.10370
 H       1.12392  1    109.11714  1     59.41325  1   149 145 144    0.10280
 H       1.13629  1    106.09527  1    349.03495  1   145 144   3    0.12400
 H       1.00143  1     76.44643  1     87.18533  1   144   3   2    0.17560
 H       1.00185  1    168.67188  1    322.25629  1   144   3   2    0.15170
 N      10.94337  0    106.51163  0    240.89105  0     3   2   1   -0.33840
 C       1.46213  0     14.86456  0    265.09140  0   166   3   2   -0.08720
 C       1.54890  0    109.51012  0    131.27165  0   167 166   3    0.21220
 O       1.23101  0    125.00583  0    126.76891  0   168 167 166   -0.33230
 H       1.11461  1    113.73520  1    305.05331  1   168 167 166    0.09610
 C       1.54434  1    111.56277  1     11.17904  1   167 166   3   -0.12760
 C       1.46398  1    118.00880  1    173.89115  1   171 167 166   -0.17980
 C       1.39782  1    127.40913  1    285.99024  1   172 171 167   -0.08710
 N       1.39436  1    110.49053  1    188.93765  1   173 172 171   -0.20280
 C       1.40109  1    108.00183  1      3.01369  1   174 173 172   -0.01140
 C       1.44337  1    108.25964  1    356.63259  1   175 174 173   -0.08340
 C       1.39653  1    119.29195  1    180.45024  1   176 175 174   -0.10850
 C       1.38627  1    118.88960  1    359.02213  1   177 176 175   -0.13650
 C       1.40734  1    121.41015  1      0.35561  1   178 177 176   -0.10390
 C       1.38507  1    121.53224  1      0.54745  1   179 178 177   -0.14520
 H       1.10204  1    120.66385  1    180.95196  1   180 179 178    0.15990
 H       1.10587  1    120.00229  1    182.19398  1   179 178 177    0.15960
 H       1.10054  1    119.68434  1    181.71690  1   178 177 176    0.13560
 H       1.10003  1    120.26991  1    179.92008  1   177 176 175    0.13830
 H       0.99004  1    125.22464  1    165.48847  1   174 173 172    0.26300
 H       1.09178  1    129.03046  1      9.97143  1   173 172 171    0.14980
 H       1.12726  1    107.41475  1    296.47832  1   171 167 166    0.11010
 H       1.12962  1    108.02491  1     51.35594  1   171 167 166    0.09080
 H       1.12585  1    108.41055  1    250.37343  1   167 166   3    0.11480
 H       1.00296  1     99.51570  1    133.65838  1   166   3   2    0.16030
 H       1.00426  1    103.86138  1     21.52543  1   166   3   2    0.14820
 N      10.01719  0    101.54687  0    205.40459  0     3   2   1   -0.33300
 C       1.44716  0     60.44593  0    312.77637  0   192   3   2   -0.06070
 C       1.51484  0    114.54894  0    162.40538  0   193 192   3    0.31990
 O       1.23614  0    116.70478  0    115.46584  0   194 193 192   -0.38840
 N       1.35879  0    120.55811  0    294.85307  0   194 193 192   -0.37110
 C       1.46169  0    117.94215  0    183.10701  0   196 194 193   -0.04430
 C       1.50738  0    120.92050  0    281.62350  0   197 196 194    0.19520
 O       1.23358  0    117.93172  0    174.66855  0   198 197 196   -0.31600
 H       1.10885  1    119.03020  1    356.39490  1   198 197 196    0.10520
 C       1.55383  1    111.16201  1    154.33623  1   197 196 194   -0.11230
 C       1.51221  1    111.42708  1    299.96032  1   201 197 196   -0.21050
 H       1.11723  1    111.53339  1     69.73136  1   202 201 197    0.08130
 H       1.11726  1    109.75088  1    189.37061  1   202 201 197    0.07510
 H       1.11688  1    110.56936  1    309.14544  1   202 201 197    0.08700
 C       1.51246  1    111.95373  1     64.84725  1   201 197 196   -0.21350
 H       1.11706  1    110.41085  1     50.36781  1   206 201 197    0.07060
 H       1.11726  1    109.79413  1    170.06548  1   206 201 197    0.07740
 H       1.11672  1    111.62951  1    289.52923  1   206 201 197    0.07800
 H       1.12931  1    105.73069  1    182.81557  1   201 197 196    0.10870
 H       1.14244  1    105.41219  1     39.01704  1   197 196 194    0.14120
 H       0.98838  1    122.46644  1      3.96509  1   196 194 193    0.24430
 C       1.54137  1    116.68252  1     34.24734  1   193 192   3   -0.19920
 C       1.52259  1    112.37926  1    268.46912  1   213 193 192   -0.10170
 C       1.51589  1    109.70829  1    169.26377  1   214 213 193   -0.23170
 H       1.12132  1    111.41476  1     73.75711  1   215 214 213    0.12200
 H       1.11734  1    110.16692  1    193.01870  1   215 214 213    0.08550
 H       1.11636  1    110.04900  1    312.36328  1   215 214 213    0.06670
 C       1.51465  1    112.35031  1    290.86828  1   214 213 193   -0.21180
 H       1.11581  1    111.60638  1     64.42118  1   219 214 213    0.05520
 H       1.11756  1    109.56184  1    184.56341  1   219 214 213    0.08490
 H       1.11703  1    110.47601  1    303.49110  1   219 214 213    0.08940
 H       1.12935  1    108.19279  1     51.12868  1   214 213 193    0.07970
 H       1.12325  1    109.74628  1     29.92168  1   213 193 192    0.09160
 H       1.12205  1    109.90165  1    147.78981  1   213 193 192    0.09430
 H       1.14008  1    105.10346  1    275.68040  1   193 192   3    0.13080
 H       1.00455  1     58.75199  1    169.99472  1   192   3   2    0.16130
 H       1.00519  1     96.06616  1     63.19910  1   192   3   2    0.14620
 N      11.18833  0    145.22708  0    179.37926  0     3   2   1   -0.32880
 C       1.47538  0     38.91567  0     92.42374  0   229   3   2   -0.10970
 C       1.53156  0    110.85889  0     76.62987  0   230 229   3    0.20700
 O       1.23608  0    120.93801  0    131.97322  0   231 230 229   -0.28230
 H       1.10910  1    116.54040  1    310.92533  1   231 230 229    0.09070
 C       1.54208  1    111.95676  1    314.55670  1   230 229   3   -0.13910
 C       1.48528  1    115.32191  1    185.29917  1   234 230 229   -0.10830
 C       1.39922  1    120.40498  1    259.51839  1   235 234 230   -0.11540
 C       1.39377  1    120.40248  1    185.16772  1   236 235 234   -0.12190
 C       1.39587  1    120.07934  1    359.84767  1   237 236 235   -0.10580
 C       1.39564  1    119.76305  1    359.41994  1   238 237 236   -0.14860
 C       1.39381  1    120.18693  1      0.62572  1   239 238 237   -0.12230
 H       1.09963  1    119.96631  1    179.46286  1   240 239 238    0.12130
 H       1.10166  1    119.57873  1    179.80996  1   239 238 237    0.14090
 H       1.10367  1    119.87363  1    179.24181  1   238 237 236    0.17100
 H       1.10162  1    120.19662  1    179.54851  1   237 236 235    0.15730
 H       1.10024  1    120.02330  1      4.16978  1   236 235 234    0.12180
 H       1.12539  1    107.92492  1    306.09428  1   234 230 229    0.08300
 H       1.12452  1    108.63785  1     62.23166  1   234 230 229    0.08170
 H       1.12909  1    107.75771  1    194.65751  1   230 229   3    0.13650
 H       1.00113  1    119.05115  1      8.10869  1   229   3   2    0.14350
 H       1.00161  1     71.24218  1    266.93020  1   229   3   2    0.13270
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.31980
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11590
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19430
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.29840
 H       1.11122  1    116.74156  1    347.77488  1   253 252 251    0.07920
 C       1.53931  1    115.95773  1    338.65534  1   252 251   3   -0.10260
 C       1.46865  1    109.57825  1    290.30261  1   256 252 251   -0.17150
 C       1.39063  1    127.16109  1    110.31046  1   257 256 252   -0.06670
 N       1.40269  1    110.63415  1    184.22163  1   258 257 256   -0.20560
 C       1.40708  1    107.59911  1    355.77385  1   259 258 257   -0.02480
 C       1.44589  1    108.28489  1      3.77243  1   260 259 258   -0.07040
 C       1.39338  1    119.36031  1    177.85043  1   261 260 259   -0.09500
 C       1.38756  1    119.06564  1    359.32406  1   262 261 260   -0.14700
 C       1.40394  1    121.32672  1    359.85754  1   263 262 261   -0.10160
 C       1.38862  1    121.37660  1      0.40062  1   264 263 262   -0.16190
 H       1.09805  1    121.17198  1    179.38960  1   265 264 263    0.12940
 H       1.10405  1    118.62144  1    180.06921  1   264 263 262    0.16030
 H       1.10097  1    119.91423  1    179.49242  1   263 262 261    0.14490
 H       1.10026  1    120.10448  1    178.57354  1   262 261 260    0.13870
 H       0.98912  1    122.39895  1    204.82200  1   259 258 257    0.23530
 H       1.09463  1    129.11455  1      2.34372  1   258 257 256    0.16800
 H       1.12168  1    110.41097  1     52.36046  1   256 252 251    0.08230
 H       1.12447  1    108.58831  1    170.54281  1   256 252 251    0.11720
 H       1.14111  1    105.19011  1    221.91088  1   252 251   3    0.13300
 H       1.00485  1     88.82964  1    320.82028  1   251   3   2    0.16600
 H       1.00424  1     61.00494  1    210.09790  1   251   3   2    0.12820
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34720
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04410
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.33000
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41900
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.30940
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.03090
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19280
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.32610
 H       1.11015  1    116.78295  1    314.75225  1   283 282 281    0.09520
 C       1.54640  1    107.12765  1    183.65556  1   282 281 279   -0.15810
 C       1.52529  1    105.64851  1    350.07058  1   286 282 281   -0.16550
 C       1.53878  1    106.33027  1     14.44975  1   287 286 282   -0.05020
 H       1.12510  1    109.93471  1    104.86172  1   288 287 286    0.07090
 H       1.13260  1    111.11292  1    225.52380  1   288 287 286    0.19120
 H       1.11689  1    111.59102  1    135.13179  1   287 286 282    0.07760
 H       1.11990  1    110.77873  1    255.23825  1   287 286 282    0.11230
 H       1.11779  1    110.64932  1    110.20718  1   286 282 281    0.07200
 H       1.11728  1    109.87215  1    229.58743  1   286 282 281    0.10510
 H       1.13149  1    109.87901  1     63.28671  1   282 281 279    0.13340
 C       1.54691  1    115.02564  1    333.16376  1   278 277   3   -0.18660
 C       1.48935  1    110.68192  1    305.71142  1   296 278 277   -0.07670
 C       1.40042  1    120.63426  1    300.10655  1   297 296 278   -0.13950
 C       1.39344  1    120.30113  1    179.92467  1   298 297 296   -0.15180
 C       1.39463  1    120.05479  1      0.39828  1   299 298 297   -0.16070
 C       1.39477  1    119.85038  1      0.47751  1   300 299 298   -0.13050
 C       1.39501  1    120.40582  1    359.19759  1   301 300 299   -0.10110
 H       1.11394  1    120.06160  1    178.85610  1   302 301 300    0.22030
 H       1.09968  1    120.34734  1    178.45390  1   301 300 299    0.12910
 H       1.09850  1    119.94129  1    179.74401  1   300 299 298    0.10400
 H       1.09855  1    119.80476  1    179.88730  1   299 298 297    0.10760
 H       1.10027  1    119.90557  1    358.70787  1   298 297 296    0.13140
 H       1.12979  1    110.15506  1     67.39087  1   296 278 277    0.16020
 H       1.12160  1    108.54177  1    185.40381  1   296 278 277    0.11310
 H       1.14167  1    106.11637  1    215.60546  1   278 277   3    0.11720
 H       1.00451  1    104.71960  1    306.73734  1   277   3   2    0.15270
 H       1.00611  1     57.84619  1    204.05207  1   277   3   2    0.15910
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.34460
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09330
 C       1.53380  0    108.58586  0    148.98325  0   314 313   3    0.20210
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.31500
 H       1.11504  1    115.01110  1    317.63983  1   315 314 313    0.08340
 C       1.54261  1    116.52737  1     25.55805  1   314 313   3   -0.13300
 C       1.51448  1    110.15193  1    189.77000  1   318 314 313   -0.21360
 H       1.11753  1    110.37475  1     68.05245  1   319 318 314    0.07480
 H       1.11761  1    109.95504  1    187.51009  1   319 318 314    0.08350
 H       1.11687  1    110.81238  1    307.80682  1   319 318 314    0.07590
 C       1.51492  1    111.01083  1    311.62422  1   318 314 313   -0.22690
 H       1.11953  1    111.07568  1     71.55607  1   323 318 314    0.08600
 H       1.11951  1    110.05895  1    190.81736  1   323 318 314    0.09720
 H       1.11747  1    110.79491  1    310.61827  1   323 318 314    0.07850
 H       1.12780  1    108.34774  1     70.37614  1   318 314 313    0.09940
 H       1.13082  1    106.23944  1    265.72238  1   314 313   3    0.12050
 H       1.00315  1     22.17788  1    347.55018  1   313   3   2    0.17380
 H       1.00126  1    100.40667  1    234.12342  1   313   3   2    0.14690
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.33850
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.07950
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.16070
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33840
 H       1.10984  1    115.26797  1    133.22347  1   333 332 331    0.12110
 C       1.52876  1    110.98481  1     57.65264  1   332 331   3   -0.21570
 C       1.51375  1    116.16772  1    186.15636  1   336 332 331    0.31210
 O       1.26634  1    122.60138  1     19.89667  1   337 336 332   -0.58950
 O       1.27269  1    116.56323  1    198.68700  1   337 336 332   -0.58900
 H       1.12436  1    108.68537  1    305.21778  1   336 332 331    0.11060
 H       1.12201  1    109.72395  1     63.32972  1   336 332 331    0.08390
 H       1.12965  1    108.21479  1    298.25034  1   332 331   3    0.14300
 H       1.00249  1     97.14114  1     62.08263  1   331   3   2    0.13500
 H       1.00258  1    146.41443  1    283.80186  1   331   3   2    0.12940
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36480
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02600
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.28120
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.42340
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36740
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04120
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19520
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29690
 H       1.10273  1    120.66189  1     53.66047  1   351 350 349    0.10900
 C       1.54881  1    109.89154  1    113.47661  1   350 349 347   -0.15920
 C       1.51997  1    113.66491  1    296.47885  1   354 350 349   -0.10760
 C       1.51662  1    109.60966  1    170.36874  1   355 354 350   -0.20750
 H       1.11620  1    110.65153  1     63.16352  1   356 355 354    0.05950
 H       1.11819  1    110.22429  1    183.18393  1   356 355 354    0.06850
 H       1.11710  1    110.50977  1    302.90991  1   356 355 354    0.08760
 C       1.51445  1    111.49835  1    292.60258  1   355 354 350   -0.21090
 H       1.11801  1    110.43855  1     66.74994  1   360 355 354    0.08650
 H       1.11834  1    110.43124  1    186.05733  1   360 355 354    0.06650
 H       1.11658  1    110.71502  1    306.09243  1   360 355 354    0.04980
 H       1.12783  1    109.52328  1     52.34351  1   355 354 350    0.09670
 H       1.12325  1    108.42084  1     59.14714  1   354 350 349    0.12640
 H       1.12173  1    108.61895  1    175.68037  1   354 350 349    0.08290
 H       1.14007  1    106.44961  1    357.73990  1   350 349 347    0.10590
 H       1.00338  1    121.50044  1    358.91733  1   349 347 346    0.28720
 C       1.54002  1    113.58565  1    355.07129  1   346 345   3   -0.18240
 C       1.52103  1    113.73113  1    298.63029  1   369 346 345   -0.09610
 C       1.51772  1    112.45864  1     83.59453  1   370 369 346   -0.21850
 H       1.12016  1    111.37904  1     28.96946  1   371 370 369    0.11080
 H       1.11838  1    110.36768  1    149.38672  1   371 370 369    0.06570
 H       1.11627  1    110.70534  1    268.57370  1   371 370 369    0.08400
 C       1.51523  1    109.29749  1    206.47975  1   370 369 346   -0.21020
 H       1.11902  1    110.00544  1     57.03779  1   375 370 369    0.05020
 H       1.11872  1    110.44333  1    176.62593  1   375 370 369    0.06780
 H       1.11671  1    110.62641  1    296.85322  1   375 370 369    0.09760
 H       1.12326  1    108.26819  1    323.96053  1   370 369 346    0.06970
 H       1.12434  1    110.22589  1     60.02257  1   369 346 345    0.10970
 H       1.12322  1    107.32718  1    176.37057  1   369 346 345    0.08430
 H       1.13030  1    107.00512  1    234.65017  1   346 345   3    0.10630
 H       1.00586  1     42.29816  1    160.24224  1   345   3   2    0.20020
 H       1.00060  1    134.81414  1     94.98578  1   345   3   2    0.13810
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34830
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.06130
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27440
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.35800
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.36400
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04540
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.18260
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31740
 H       1.10939  1    115.95269  1     81.73048  1   391 390 389    0.10730
 C       1.53128  1    114.17322  1    146.20133  1   390 389 387   -0.13070
 C       1.48684  1    113.74443  1    304.48671  1   394 390 389   -0.09400
 C       1.40043  1    121.03439  1    308.38922  1   395 394 390   -0.12830
 C       1.39498  1    120.51811  1    180.29696  1   396 395 394   -0.10340
 C       1.39593  1    119.80007  1      0.58372  1   397 396 395   -0.11880
 C       1.39609  1    119.99487  1    359.91184  1   398 397 396   -0.15300
 C       1.39332  1    120.18903  1    359.46016  1   399 398 397   -0.14830
 H       1.09983  1    119.85513  1    181.08330  1   400 399 398    0.11760
 H       1.09972  1    120.00823  1    180.78233  1   399 398 397    0.11590
 H       1.10053  1    119.53090  1    181.06054  1   398 397 396    0.14180
 H       1.11078  1    120.45320  1    181.66108  1   397 396 395    0.20300
 H       1.10099  1    120.13984  1      1.36208  1   396 395 394    0.13930
 H       1.12363  1    109.09449  1     68.26130  1   394 390 389    0.09880
 H       1.12411  1    107.02895  1    183.95673  1   394 390 389    0.09390
 H       1.13522  1    107.44121  1     25.49016  1   390 389 387    0.13680
 H       0.99655  1    121.59932  1    346.23154  1   389 387 386    0.23480
 C       1.53895  1    112.74158  1    312.66250  1   386 385   3   -0.07730
 C       1.47412  1    107.99286  1    186.51361  1   410 386 385   -0.15700
 N       1.39829  1    123.93215  1     93.47369  1   411 410 386   -0.16250
 C       1.39358  1    106.47380  1    191.16581  1   412 411 410   -0.08300
 N       1.35596  1    111.82834  1    358.05715  1   413 412 411   -0.14860
 C       1.38691  1    105.60673  1      0.20153  1   414 413 412   -0.17500
 H       1.08882  1    121.84597  1    181.49975  1   415 414 413    0.15680
 H       1.09323  1    122.72924  1    181.08470  1   413 412 411    0.18360
 H       1.00057  1    124.40566  1    356.23120  1   412 411 410    0.29910
 H       1.12819  1    108.21043  1    306.28879  1   410 386 385    0.14740
 H       1.11998  1    110.84826  1     65.45411  1   410 386 385    0.07720
 H       1.13418  1    106.24015  1    194.93241  1   386 385   3    0.16530
 H       0.99894  1     71.03505  1    197.05606  1   385   3   2    0.14060
 H       0.99786  1    122.96716  1     94.74348  1   385   3   2    0.13920
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.43310
 H       0.96535  1     65.31665  1    303.51133  1   424   3   2    0.22080
 H       0.96380  1    168.19502  1    304.36824  1   424   3   2    0.20840

