


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.34790
 C       1.43541  0      0.00000  0      0.00000  0     1   0   0   -0.08820
 C       1.51361  0    105.85431  0      0.00000  0     2   1   0    0.17550
 O       1.21823  0    118.28448  0    316.65614  0     3   2   1   -0.28910
 H       1.10951  1    117.84727  1    136.54522  1     3   2   1    0.08240
 C       1.53892  1    108.80248  1     82.89916  1     2   3   4   -0.16320
 C       1.51177  1    112.95748  1     58.24087  1     6   2   3   -0.22070
 C       1.52828  1    113.69465  1     76.57236  1     7   6   2    0.32720
 O       1.26383  1    120.33140  1    296.76975  1     8   7   6   -0.56890
 O       1.27478  1    118.23291  1    117.63766  1     8   7   6   -0.63300
 H       1.12301  1    108.98673  1    197.33387  1     7   6   2    0.05820
 H       1.12077  1    110.38080  1    314.86374  1     7   6   2    0.06440
 H       1.12213  1    108.51196  1    179.62605  1     6   2   3    0.08260
 H       1.12434  1    108.73875  1    295.88974  1     6   2   3    0.08120
 H       1.13385  1    109.67236  1    199.39991  1     2   3   4    0.13780
 H       1.00433  1    109.71813  1    163.96193  1     1   2   3    0.13990
 H       1.01096  1    111.46690  1     46.19634  1     1   2   3    0.18550
 N       7.96014  0     75.09678  0    335.36568  0     3   2   1   -0.34630
 C       1.43306  0     42.93610  0    322.43062  0    18   3   2   -0.05480
 C       1.48866  0    114.42599  0    125.51033  0    19  18   3    0.33150
 O       1.22130  0    115.93694  0     35.03719  0    20  19  18   -0.44810
 N       1.33108  0    117.44794  0    215.43053  0    20  19  18   -0.36540
 C       1.45235  0    123.47707  0    179.52223  0    22  20  19   -0.02070
 C       1.53754  0    111.92080  0    301.14966  0    23  22  20    0.18330
 O       1.25976  0    125.74037  0    157.66496  0    24  23  22   -0.35470
 H       1.11401  1    115.31028  1    338.32059  1    24  23  22    0.09850
 C       1.54213  1    113.66040  1    178.20523  1    23  22  20   -0.07430
 C       1.46606  1    110.59234  1    268.36812  1    27  23  22   -0.20360
 C       1.39976  1    126.13275  1     82.31839  1    28  27  23   -0.01160
 N       1.39266  1    109.89134  1    181.19205  1    29  28  27   -0.20380
 C       1.39901  1    108.55208  1    358.75728  1    30  29  28   -0.01860
 C       1.44916  1    108.00828  1      1.25764  1    31  30  29   -0.06810
 C       1.39570  1    119.27818  1    178.94199  1    32  31  30   -0.10120
 C       1.38701  1    119.09815  1      0.13872  1    33  32  31   -0.17110
 C       1.40606  1    121.26521  1      0.50759  1    34  33  32   -0.14290
 C       1.38625  1    121.62043  1    359.58101  1    35  34  33   -0.12680
 H       1.10026  1    121.56281  1    178.18029  1    36  35  34    0.15140
 H       1.09936  1    119.12694  1    179.38916  1    35  34  33    0.11230
 H       1.09883  1    119.74702  1    180.27911  1    34  33  32    0.10370
 H       1.09921  1    119.86132  1    180.16696  1    33  32  31    0.12620
 H       0.98868  1    126.06577  1    183.06286  1    30  29  28    0.26230
 H       1.10465  1    128.17153  1    359.77244  1    29  28  27    0.23000
 H       1.12452  1    110.78123  1     30.69829  1    27  23  22    0.11530
 H       1.12402  1    108.18244  1    148.67647  1    27  23  22    0.08750
 H       1.13467  1    108.10505  1     57.55866  1    23  22  20    0.11770
 H       1.00761  1    122.35252  1    357.80036  1    22  20  19    0.29930
 C       1.53749  1    113.76443  1    348.97557  1    19  18   3   -0.20700
 C       1.53474  1    110.46562  1    206.32652  1    47  19  18    0.30780
 O       1.28303  1    118.91242  1    257.11302  1    48  47  19   -0.64730
 O       1.26187  1    122.25093  1     79.59246  1    48  47  19   -0.53960
 C       2.61584  0    112.85221  1    190.96547  1    50  48  47   -0.05540
 H       1.12025  1     58.43306  1    349.78083  1    51  50  48    0.18090
 H       1.11413  1     75.37958  1    224.23481  1    51  50  48    0.12270
Cl       1.81091  1    161.08682  1    320.63359  1    51  50  48   -0.28420
 C       1.50367  1     85.80799  1    110.40562  1    51  50  48   -0.17990
 H       1.12848  1    105.89956  1    358.74122  1    55  51  50    0.14850
 H       1.12139  1    110.95267  1    242.47517  1    55  51  50    0.07260
 C       1.51483  1    113.00147  1    118.94398  1    55  51  50   -0.16610
 H       1.12404  1    109.37809  1    327.09232  1    58  55  51    0.09020
 C       1.50581  1    111.70387  1    206.28521  1    58  55  51   -0.21440
 H       1.11715  1    110.94459  1    304.78837  1    60  58  55    0.06040
 H       1.11824  1    110.56210  1    184.59015  1    60  58  55    0.06000
 H       1.11899  1    110.54038  1     64.61190  1    60  58  55    0.09040
 H       1.12339  1    109.67006  1     84.32431  1    58  55  51    0.06290
 H       1.11960  1    109.71002  1    325.07467  1    47  19  18    0.12680
 H       1.11761  1    111.77647  1     83.81777  1    47  19  18    0.08620
 H       1.15877  1    108.01548  1    236.69317  1    19  18   3    0.07960
 H       1.00178  1    152.73378  1    331.94269  1    18   3   2    0.14820
 H       1.00232  1     87.62461  1    200.37852  1    18   3   2    0.16470
 N      11.18390  0     45.95169  0    335.35266  0     3   2   1   -0.33450
 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    0.20150
 O       1.23698  0    121.33134  0    141.68350  0    72  71  70   -0.33070
 H       1.11011  1    116.35362  1    320.38428  1    72  71  70    0.10500
 C       1.52762  1    116.97626  1    349.88364  1    71  70   3   -0.15150
 C       1.48839  1    115.52407  1    282.84377  1    75  71  70   -0.06040
 C       1.39662  1    123.89979  1      0.15508  1    76  75  71   -0.13450
 C       1.39657  1    120.40502  1    180.80621  1    77  76  75   -0.13010
 C       1.39203  1    120.38276  1    359.76047  1    78  77  76   -0.13270
 C       1.39640  1    119.59633  1    359.48629  1    79  78  77   -0.12690
 C       1.39120  1    120.10822  1      1.04845  1    80  79  78   -0.13290
 H       1.10165  1    119.86328  1    181.01354  1    81  80  79    0.14510
 H       1.10177  1    120.00118  1    181.98772  1    80  79  78    0.13460
 H       1.10023  1    120.11574  1    181.32458  1    79  78  77    0.13130
 H       1.09976  1    119.68852  1    181.29907  1    78  77  76    0.12600
 H       1.09968  1    121.25379  1      0.94231  1    77  76  75    0.13330
 H       1.12521  1    109.55434  1     45.89135  1    75  71  70    0.11390
 H       1.12714  1    107.88998  1    162.85318  1    75  71  70    0.09450
 H       1.13043  1    106.29811  1    227.57690  1    71  70   3    0.11320
 H       1.00528  1     63.63646  1    216.78033  1    70   3   2    0.17860
 H       1.00424  1     46.87556  1     56.97766  1    70   3   2    0.15270
 N      16.98887  0     78.77108  0    276.65240  0     3   2   1   -0.33250
 C       1.47352  0     50.04108  0    198.47436  0    92   3   2   -0.09380
 C       1.54084  0    112.94709  0     70.56927  0    93  92   3    0.18450
 O       1.24033  0    121.30901  0    176.74567  0    94  93  92   -0.29800
 H       1.11109  1    117.36392  1    356.69207  1    94  93  92    0.09120
 C       1.54565  1    112.82868  1    309.25988  1    93  92   3   -0.14970
 C       1.49313  1    110.86087  1     53.03732  1    97  93  92   -0.06420
 C       1.40099  1    120.27377  1     83.59082  1    98  97  93   -0.13560
 C       1.39319  1    120.43843  1    181.25945  1    99  98  97   -0.11440
 C       1.39545  1    120.07386  1    359.66150  1   100  99  98   -0.14430
 C       1.39416  1    119.81243  1    359.84152  1   101 100  99   -0.12270
 C       1.39429  1    120.17286  1      0.48428  1   102 101 100   -0.14270
 H       1.09991  1    119.86567  1    181.84761  1   103 102 101    0.12250
 H       1.09930  1    119.91796  1    181.31602  1   102 101 100    0.12180
 H       1.09985  1    119.92627  1    180.83278  1   101 100  99    0.13490
 H       1.10170  1    119.97559  1    180.60345  1   100  99  98    0.14110
 H       1.10249  1    119.51653  1      2.09110  1    99  98  97    0.14160
 H       1.12362  1    109.51490  1    174.84073  1    97  93  92    0.13960
 H       1.12197  1    109.58428  1    291.27084  1    97  93  92    0.11040
 H       1.12706  1    107.07592  1    189.35819  1    93  92   3    0.13290
 H       1.00277  1     88.31618  1     80.60870  1    92   3   2    0.14770
 H       1.00220  1     74.96845  1    331.85033  1    92   3   2    0.13120
 N      17.89408  0     97.90475  0    267.28960  0     3   2   1   -0.29300
 C       1.43736  0    110.29372  0    222.59590  0   114   3   2   -0.11250
 C       1.49667  0    113.30282  0     44.24659  0   115 114   3    0.18350
 O       1.21152  0    117.76296  0    341.83825  0   116 115 114   -0.30590
 H       1.11001  1    117.52501  1    162.03079  1   116 115 114    0.11120
 C       1.55140  1    110.02382  1    279.52247  1   115 114   3   -0.17410
 C       1.52281  1    105.36609  1    359.46439  1   119 115 114   -0.17360
 C       1.53726  1    105.91121  1    355.85658  1   120 119 115   -0.09070
 H       1.12262  1    110.79162  1    130.88893  1   121 120 119    0.08550
 H       1.12434  1    110.15412  1    249.95042  1   121 120 119    0.07110
 H       1.11801  1    110.71155  1    115.92477  1   120 119 115    0.10970
 H       1.11622  1    111.19054  1    235.60679  1   120 119 115    0.07710
 H       1.12263  1    112.41529  1    120.88849  1   119 115 114    0.16080
 H       1.11662  1    109.71016  1    239.76796  1   119 115 114    0.08820
 H       1.13345  1    106.63630  1    162.32696  1   115 114   3    0.09270
 H       1.00612  1     33.60009  1    321.93690  1   114   3   2    0.16850
 N      17.12834  0    109.64320  0    254.84939  0     3   2   1   -0.35290
 C       1.45843  0     53.82819  0    185.26230  0   130   3   2   -0.06670
 C       1.54573  0    115.39702  0    325.30114  0   131 130   3    0.17920
 O       1.21650  0    121.78862  0    193.10814  0   132 131 130   -0.30840
 H       1.11460  1    116.18137  1     14.13496  1   132 131 130    0.07760
 C       1.53320  1    113.39334  1    196.48650  1   131 130   3   -0.22550
 C       1.53531  1    116.87759  1     34.79937  1   135 131 130    0.33340
 O       1.26965  1    120.21842  1     26.91790  1   136 135 131   -0.60980
 O       1.26468  1    117.09998  1    206.71358  1   136 135 131   -0.57960
 H       1.12049  1    108.90782  1    156.56180  1   135 131 130    0.10100
 H       1.12016  1    108.26316  1    273.51527  1   135 131 130    0.07280
 H       1.13613  1    105.55374  1     78.71345  1   131 130   3    0.07800
 H       1.00623  1    135.05345  1    101.90858  1   130   3   2    0.18310
 H       1.00374  1     56.52709  1     18.98670  1   130   3   2    0.12000
 N      12.50007  0     97.91996  0    261.63373  0     3   2   1   -0.33630
 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    0.19500
 O       1.24316  0    120.46732  0    146.99107  0   146 145 144   -0.31220
 H       1.10875  1    117.21069  1    325.75136  1   146 145 144    0.10180
 C       1.55258  1    113.32954  1    106.52523  1   145 144   3   -0.16760
 C       1.48638  1    113.87313  1    182.69219  1   149 145 144   -0.07080
 C       1.40075  1    120.54803  1     68.63655  1   150 149 145   -0.12030
 C       1.39400  1    120.38852  1    179.09397  1   151 150 149   -0.12100
 C       1.39502  1    120.17773  1      0.11085  1   152 151 150   -0.14740
 C       1.39455  1    119.73073  1    359.32834  1   153 152 151   -0.13570
 C       1.39364  1    120.19355  1      0.36382  1   154 153 152   -0.13070
 H       1.09975  1    119.86630  1    180.25607  1   155 154 153    0.12100
 H       1.09909  1    119.91567  1    180.73041  1   154 153 152    0.11750
 H       1.10190  1    119.92916  1    179.62135  1   153 152 151    0.13770
 H       1.10225  1    119.59268  1    180.83747  1   152 151 150    0.14310
 H       1.10281  1    119.95417  1    358.90837  1   151 150 149    0.15190
 H       1.12585  1    107.89244  1    303.12583  1   149 145 144    0.10380
 H       1.12402  1    109.10226  1     59.03241  1   149 145 144    0.10300
 H       1.13609  1    106.19085  1    349.33977  1   145 144   3    0.12420
 H       1.00148  1     76.33026  1     87.92838  1   144   3   2    0.17500
 H       1.00203  1    168.50116  1    326.93792  1   144   3   2    0.15090
 N      10.94337  0    106.51163  0    240.89105  0     3   2   1   -0.33730
 C       1.46213  0     14.86456  0    265.09140  0   166   3   2   -0.08810
 C       1.54890  0    109.51012  0    131.27165  0   167 166   3    0.21290
 O       1.23101  0    125.00583  0    126.76891  0   168 167 166   -0.33210
 H       1.11460  1    113.73533  1    305.04769  1   168 167 166    0.09540
 C       1.54428  1    111.47747  1     11.47999  1   167 166   3   -0.12800
 C       1.46401  1    118.19051  1    174.38294  1   171 167 166   -0.18100
 C       1.39818  1    126.99785  1    282.55319  1   172 171 167   -0.08620
 N       1.39451  1    110.49629  1    189.10655  1   173 172 171   -0.19750
 C       1.39989  1    108.02944  1      3.15244  1   174 173 172   -0.00920
 C       1.44436  1    108.26595  1    356.42359  1   175 174 173   -0.08370
 C       1.39729  1    119.17508  1    180.16262  1   176 175 174   -0.10940
 C       1.38619  1    118.90181  1    359.21146  1   177 176 175   -0.13620
 C       1.40785  1    121.45274  1      0.19534  1   178 177 176   -0.10760
 C       1.38514  1    121.54908  1      0.52731  1   179 178 177   -0.14330
 H       1.10201  1    120.78092  1    180.98588  1   180 179 178    0.16100
 H       1.10548  1    119.95855  1    182.26154  1   179 178 177    0.15620
 H       1.10047  1    119.65189  1    181.53110  1   178 177 176    0.13350
 H       1.10007  1    120.33971  1    180.05612  1   177 176 175    0.13830
 H       0.99063  1    124.94498  1    164.09040  1   174 173 172    0.26340
 H       1.09171  1    129.02814  1     10.01550  1   173 172 171    0.14950
 H       1.12770  1    107.36040  1    296.87088  1   171 167 166    0.11020
 H       1.12958  1    107.96387  1     51.91563  1   171 167 166    0.09060
 H       1.12575  1    108.48075  1    250.40293  1   167 166   3    0.11510
 H       1.00289  1     99.57643  1    133.92275  1   166   3   2    0.16020
 H       1.00427  1    103.69133  1     21.81141  1   166   3   2    0.14730
 N      10.01719  0    101.54687  0    205.40459  0     3   2   1   -0.32960
 C       1.44716  0     60.44593  0    312.77637  0   192   3   2   -0.06250
 C       1.51484  0    114.54894  0    162.40538  0   193 192   3    0.31960
 O       1.23614  0    116.70478  0    115.46584  0   194 193 192   -0.38850
 N       1.35879  0    120.55811  0    294.85307  0   194 193 192   -0.37120
 C       1.46169  0    117.94215  0    183.10701  0   196 194 193   -0.04390
 C       1.50738  0    120.92050  0    281.62350  0   197 196 194    0.19650
 O       1.23358  0    117.93172  0    174.66855  0   198 197 196   -0.31680
 H       1.10888  1    119.03162  1    356.32910  1   198 197 196    0.10490
 C       1.55392  1    111.15995  1    154.37539  1   197 196 194   -0.11270
 C       1.51216  1    111.40453  1    299.53700  1   201 197 196   -0.21050
 H       1.11727  1    111.51429  1     69.76955  1   202 201 197    0.08170
 H       1.11727  1    109.76229  1    189.43822  1   202 201 197    0.07440
 H       1.11683  1    110.58272  1    309.20073  1   202 201 197    0.08730
 C       1.51246  1    111.98515  1     64.44568  1   201 197 196   -0.21280
 H       1.11715  1    110.39061  1     49.98355  1   206 201 197    0.06910
 H       1.11731  1    109.79205  1    169.65989  1   206 201 197    0.07780
 H       1.11662  1    111.66551  1    289.03878  1   206 201 197    0.07830
 H       1.12929  1    105.75515  1    182.36299  1   201 197 196    0.10860
 H       1.14248  1    105.41728  1     39.01803  1   197 196 194    0.14130
 H       0.98828  1    122.48804  1      3.90655  1   196 194 193    0.24410
 C       1.54173  1    116.67311  1     34.33719  1   193 192   3   -0.19920
 C       1.52275  1    112.38587  1    269.20893  1   213 193 192   -0.10160
 C       1.51631  1    109.79824  1    168.96917  1   214 213 193   -0.23250
 H       1.12146  1    111.41229  1     72.96419  1   215 214 213    0.12240
 H       1.11742  1    110.15466  1    192.22861  1   215 214 213    0.08550
 H       1.11660  1    110.12927  1    311.54161  1   215 214 213    0.06770
 C       1.51497  1    112.24103  1    290.68674  1   214 213 193   -0.20890
 H       1.11585  1    111.58291  1     64.65721  1   219 214 213    0.05350
 H       1.11737  1    109.61650  1    184.74155  1   219 214 213    0.08430
 H       1.11712  1    110.42852  1    303.67736  1   219 214 213    0.08930
 H       1.12905  1    108.11443  1     50.92519  1   214 213 193    0.07940
 H       1.12324  1    109.71595  1     30.80608  1   213 193 192    0.09110
 H       1.12190  1    109.87787  1    148.56237  1   213 193 192    0.09430
 H       1.13999  1    105.06629  1    275.73824  1   193 192   3    0.13130
 H       1.00481  1     57.48061  1    169.44092  1   192   3   2    0.16090
 H       1.00471  1     96.49520  1     63.05896  1   192   3   2    0.14480
 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   -0.11020
 C       1.53156  0    110.85889  0     76.62987  0   230 229   3    0.20690
 O       1.23608  0    120.93801  0    131.97322  0   231 230 229   -0.28230
 H       1.10917  1    116.54590  1    310.96338  1   231 230 229    0.09070
 C       1.54211  1    112.19714  1    314.61793  1   230 229   3   -0.14100
 C       1.48430  1    114.91387  1    189.29308  1   234 230 229   -0.10560
 C       1.39967  1    120.57832  1    254.15842  1   235 234 230   -0.11870
 C       1.39425  1    120.31584  1    184.92332  1   236 235 234   -0.11710
 C       1.39602  1    120.10213  1      0.00000  1   237 236 235   -0.10930
 C       1.39597  1    119.79496  1    359.12226  1   238 237 236   -0.15360
 C       1.39340  1    120.18718  1      0.86523  1   239 238 237   -0.12050
 H       1.09969  1    119.99414  1    179.63345  1   240 239 238    0.12170
 H       1.10123  1    119.63096  1    180.01885  1   239 238 237    0.13940
 H       1.10340  1    119.93959  1    179.05068  1   238 237 236    0.16890
 H       1.10190  1    120.18324  1    179.58877  1   237 236 235    0.15970
 H       1.10007  1    120.04633  1      4.04466  1   236 235 234    0.12590
 H       1.12602  1    108.01345  1    309.67059  1   234 230 229    0.08280
 H       1.12383  1    108.89445  1     65.63151  1   234 230 229    0.08340
 H       1.12942  1    107.65985  1    194.74095  1   230 229   3    0.13690
 H       1.00101  1    118.34877  1      7.22892  1   229   3   2    0.14390
 H       1.00147  1     71.13660  1    265.79226  1   229   3   2    0.13240
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32210
 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    0.19430
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.29880
 H       1.11128  1    116.74381  1    347.78007  1   253 252 251    0.07930
 C       1.53878  1    116.00533  1    338.62577  1   252 251   3   -0.10290
 C       1.46879  1    109.56392  1    290.59273  1   256 252 251   -0.17000
 C       1.39067  1    127.07856  1    110.67192  1   257 256 252   -0.06560
 N       1.40276  1    110.62307  1    184.22424  1   258 257 256   -0.20670
 C       1.40658  1    107.58499  1    355.75712  1   259 258 257   -0.02280
 C       1.44424  1    108.29177  1      3.93774  1   260 259 258   -0.07440
 C       1.39478  1    119.40196  1    177.94063  1   261 260 259   -0.09360
 C       1.38782  1    119.01562  1    359.48312  1   262 261 260   -0.14800
 C       1.40604  1    121.31408  1    359.94567  1   263 262 261   -0.10060
 C       1.38834  1    121.42060  1      0.38060  1   264 263 262   -0.16360
 H       1.09817  1    121.14970  1    179.54270  1   265 264 263    0.13000
 H       1.10410  1    118.59072  1    180.06115  1   264 263 262    0.15980
 H       1.10078  1    119.93106  1    179.32708  1   263 262 261    0.14500
 H       1.10019  1    120.14811  1    178.68907  1   262 261 260    0.13840
 H       0.98967  1    122.46423  1    204.10125  1   259 258 257    0.23710
 H       1.09443  1    129.20649  1      2.08127  1   258 257 256    0.16730
 H       1.12153  1    110.47015  1     52.78810  1   256 252 251    0.08250
 H       1.12481  1    108.51787  1    170.93166  1   256 252 251    0.11680
 H       1.14125  1    105.25584  1    221.89975  1   252 251   3    0.13290
 H       1.00474  1     89.56359  1    321.21539  1   251   3   2    0.16590
 H       1.00398  1     60.86093  1    210.87976  1   251   3   2    0.12960
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34480
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04160
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.32960
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41790
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.31000
 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    0.19260
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.32600
 H       1.11014  1    116.78361  1    314.77458  1   283 282 281    0.09540
 C       1.54481  1    107.31529  1    183.58281  1   282 281 279   -0.15790
 C       1.52535  1    105.64092  1    350.58725  1   286 282 281   -0.16610
 C       1.53916  1    106.32642  1     13.63839  1   287 286 282   -0.05120
 H       1.12528  1    109.76118  1    105.71478  1   288 287 286    0.07000
 H       1.13269  1    111.00728  1    226.28138  1   288 287 286    0.19170
 H       1.11687  1    111.57921  1    134.21122  1   287 286 282    0.07740
 H       1.11977  1    110.82189  1    254.46081  1   287 286 282    0.11410
 H       1.11764  1    110.61590  1    110.84991  1   286 282 281    0.07210
 H       1.11735  1    109.83879  1    230.04397  1   286 282 281    0.10460
 H       1.13147  1    109.83875  1     63.30874  1   282 281 279    0.13260
 C       1.54662  1    115.07281  1    334.01211  1   278 277   3   -0.18940
 C       1.48938  1    110.91619  1    304.77613  1   296 278 277   -0.07640
 C       1.40073  1    120.59783  1    299.97092  1   297 296 278   -0.13880
 C       1.39341  1    120.31649  1    180.10949  1   298 297 296   -0.15100
 C       1.39437  1    120.10219  1      0.44360  1   299 298 297   -0.16070
 C       1.39434  1    119.80827  1      0.32287  1   300 299 298   -0.13000
 C       1.39525  1    120.40041  1    359.46968  1   301 300 299   -0.10180
 H       1.11382  1    120.04983  1    178.52156  1   302 301 300    0.21820
 H       1.09966  1    120.31971  1    178.59778  1   301 300 299    0.12870
 H       1.09843  1    119.98292  1    179.53459  1   300 299 298    0.10410
 H       1.09864  1    119.77136  1    179.64242  1   299 298 297    0.10770
 H       1.10032  1    119.78408  1    358.88952  1   298 297 296    0.13230
 H       1.12975  1    110.24900  1     66.43836  1   296 278 277    0.15980
 H       1.12155  1    108.56978  1    184.57452  1   296 278 277    0.11410
 H       1.14004  1    106.38531  1    216.11334  1   278 277   3    0.11820
 H       1.00447  1    101.61328  1    304.87929  1   277   3   2    0.15330
 H       1.00575  1     58.56390  1    200.57618  1   277   3   2    0.15630
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.34110
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09450
 C       1.53380  0    108.58586  0    148.98325  0   314 313   3    0.20190
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.31520
 H       1.11509  1    115.05014  1    317.59160  1   315 314 313    0.08350
 C       1.54297  1    116.48449  1     25.80645  1   314 313   3   -0.13340
 C       1.51417  1    110.17450  1    189.17264  1   318 314 313   -0.21360
 H       1.11762  1    110.40275  1     67.28964  1   319 318 314    0.07360
 H       1.11772  1    109.95123  1    186.81096  1   319 318 314    0.08460
 H       1.11684  1    110.84056  1    307.04253  1   319 318 314    0.07560
 C       1.51491  1    111.10939  1    311.10555  1   318 314 313   -0.22710
 H       1.11969  1    111.00947  1     71.72015  1   323 318 314    0.08510
 H       1.11962  1    110.09546  1    190.95992  1   323 318 314    0.09940
 H       1.11758  1    110.78319  1    310.91508  1   323 318 314    0.07800
 H       1.12825  1    108.30604  1     69.82759  1   318 314 313    0.09980
 H       1.13067  1    106.29131  1    265.81271  1   314 313   3    0.12050
 H       1.00366  1     21.80292  1    348.34508  1   313   3   2    0.17300
 H       1.00160  1    100.15588  1    233.95772  1   313   3   2    0.14540
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.33470
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.08270
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.15980
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33860
 H       1.10991  1    115.28198  1    133.18567  1   333 332 331    0.12090
 C       1.52848  1    110.94806  1     57.59822  1   332 331   3   -0.21540
 C       1.51335  1    116.00038  1    186.27826  1   336 332 331    0.31250
 O       1.26680  1    122.59349  1     19.93139  1   337 336 332   -0.58980
 O       1.27249  1    116.61564  1    198.61934  1   337 336 332   -0.58960
 H       1.12444  1    108.70579  1    305.40181  1   336 332 331    0.11180
 H       1.12198  1    109.72130  1     63.53153  1   336 332 331    0.08420
 H       1.12965  1    108.26796  1    298.35448  1   332 331   3    0.14450
 H       1.00248  1     98.51872  1     59.74579  1   331   3   2    0.13390
 H       1.00240  1    145.69805  1    280.13058  1   331   3   2    0.12840
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36510
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02690
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.28130
 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   -0.36680
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04200
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19570
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29750
 H       1.10279  1    120.66974  1     53.68323  1   351 350 349    0.10910
 C       1.54832  1    110.03141  1    113.35217  1   350 349 347   -0.15720
 C       1.51995  1    113.75392  1    296.01216  1   354 350 349   -0.10870
 C       1.51638  1    109.48612  1    171.07148  1   355 354 350   -0.21040
 H       1.11642  1    110.58934  1     61.98013  1   356 355 354    0.05950
 H       1.11787  1    110.29879  1    182.02562  1   356 355 354    0.07110
 H       1.11742  1    110.40687  1    301.72506  1   356 355 354    0.08800
 C       1.51444  1    111.56993  1    293.24776  1   355 354 350   -0.21170
 H       1.11819  1    110.41663  1     67.08127  1   360 355 354    0.08700
 H       1.11815  1    110.40641  1    186.33325  1   360 355 354    0.06680
 H       1.11650  1    110.71685  1    306.43684  1   360 355 354    0.05000
 H       1.12782  1    109.47958  1     52.98984  1   355 354 350    0.09720
 H       1.12333  1    108.39784  1     58.92264  1   354 350 349    0.12590
 H       1.12167  1    108.63866  1    175.47033  1   354 350 349    0.08250
 H       1.14026  1    106.39223  1    357.70106  1   350 349 347    0.10600
 H       1.00320  1    121.44487  1    358.71425  1   349 347 346    0.28630
 C       1.53828  1    113.80541  1    354.40680  1   346 345   3   -0.17980
 C       1.52184  1    113.65616  1    301.67457  1   369 346 345   -0.09740
 C       1.51838  1    112.58891  1     85.34752  1   370 369 346   -0.21810
 H       1.11966  1    111.48154  1     27.91228  1   371 370 369    0.11000
 H       1.11863  1    110.36432  1    148.36863  1   371 370 369    0.06680
 H       1.11656  1    110.71186  1    267.57535  1   371 370 369    0.08430
 C       1.51594  1    109.36510  1    208.09085  1   370 369 346   -0.21180
 H       1.11797  1    110.26550  1     56.31122  1   375 370 369    0.05220
 H       1.11847  1    110.57021  1    176.26138  1   375 370 369    0.06850
 H       1.11736  1    110.36154  1    296.03155  1   375 370 369    0.09530
 H       1.12369  1    108.24994  1    325.83779  1   370 369 346    0.07310
 H       1.12339  1    110.29445  1     63.46291  1   369 346 345    0.10780
 H       1.12338  1    107.19457  1    179.93367  1   369 346 345    0.08350
 H       1.13147  1    106.72317  1    234.24982  1   346 345   3    0.10550
 H       1.00615  1     42.33363  1    159.63217  1   345   3   2    0.20060
 H       1.00078  1    135.23131  1     94.84453  1   345   3   2    0.13830
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34710
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.06200
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27530
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.35860
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.36390
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04670
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.18270
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31720
 H       1.10941  1    115.95101  1     81.67765  1   391 390 389    0.10730
 C       1.53153  1    114.00151  1    146.36717  1   390 389 387   -0.13180
 C       1.48698  1    113.47876  1    304.18418  1   394 390 389   -0.09320
 C       1.40069  1    121.15665  1    308.02651  1   395 394 390   -0.12870
 C       1.39475  1    120.53066  1    180.55554  1   396 395 394   -0.10340
 C       1.39593  1    119.79260  1      0.57404  1   397 396 395   -0.11900
 C       1.39436  1    119.99878  1    359.89906  1   398 397 396   -0.15270
 C       1.39371  1    120.18713  1    359.88734  1   399 398 397   -0.14840
 H       1.09939  1    119.86070  1    180.78512  1   400 399 398    0.11720
 H       1.09958  1    120.02540  1    180.99194  1   399 398 397    0.11620
 H       1.10051  1    119.62726  1    180.99866  1   398 397 396    0.14280
 H       1.11090  1    120.45788  1    181.73774  1   397 396 395    0.20250
 H       1.10094  1    120.15777  1      1.84258  1   396 395 394    0.13910
 H       1.12370  1    109.09937  1     67.80312  1   394 390 389    0.09920
 H       1.12382  1    107.15414  1    183.47703  1   394 390 389    0.09450
 H       1.13506  1    107.51560  1     25.56447  1   390 389 387    0.13760
 H       0.99660  1    121.61346  1    346.42343  1   389 387 386    0.23490
 C       1.53760  1    112.51487  1    312.70245  1   386 385   3   -0.07760
 C       1.47273  1    108.55684  1    186.88389  1   410 386 385   -0.15410
 N       1.39791  1    123.94027  1     93.47632  1   411 410 386   -0.16130
 C       1.39237  1    106.44504  1    189.87693  1   412 411 410   -0.08440
 N       1.35634  1    111.72772  1    358.33311  1   413 412 411   -0.15330
 C       1.38527  1    105.77725  1      0.06753  1   414 413 412   -0.17750
 H       1.08917  1    121.92440  1    181.28628  1   415 414 413    0.15850
 H       1.09357  1    122.97187  1    181.16056  1   413 412 411    0.18520
 H       1.00053  1    124.44818  1    355.92131  1   412 411 410    0.30050
 H       1.12872  1    108.28635  1    307.04312  1   410 386 385    0.14710
 H       1.12077  1    110.69378  1     66.05550  1   410 386 385    0.07660
 H       1.13417  1    106.26449  1    194.98139  1   386 385   3    0.16580
 H       0.99879  1     70.98047  1    197.85765  1   385   3   2    0.14060
 H       0.99784  1    122.24730  1     95.46630  1   385   3   2    0.13860
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.43030
 H       0.96546  1     63.26862  1    306.19691  1   424   3   2    0.22040
 H       0.96307  1    165.27478  1    289.97025  1   424   3   2    0.20620

