


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.34850
 C       1.43541  0      0.00000  0      0.00000  0     1   0   0   -0.08810
 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   -0.28950
 H       1.10949  1    117.85276  1    136.54531  1     3   2   1    0.08280
 C       1.53915  1    108.79509  1     82.96864  1     2   3   4   -0.16350
 C       1.51155  1    112.93830  1     58.11448  1     6   2   3   -0.22120
 C       1.52840  1    113.60088  1     76.64643  1     7   6   2    0.32810
 O       1.26401  1    120.29060  1    296.61668  1     8   7   6   -0.56980
 O       1.27474  1    118.23676  1    117.46881  1     8   7   6   -0.63330
 H       1.12285  1    109.01117  1    197.41114  1     7   6   2    0.05880
 H       1.12075  1    110.39541  1    314.95774  1     7   6   2    0.06460
 H       1.12187  1    108.52432  1    179.48577  1     6   2   3    0.08200
 H       1.12454  1    108.71073  1    295.77497  1     6   2   3    0.08250
 H       1.13377  1    109.66532  1    199.37651  1     2   3   4    0.13760
 H       1.00435  1    109.71220  1    163.36543  1     1   2   3    0.14040
 H       1.01050  1    111.52480  1     45.38045  1     1   2   3    0.18510
 N       7.96014  0     75.09678  0    335.36568  0     3   2   1   -0.34730
 C       1.43306  0     42.93610  0    322.43062  0    18   3   2   -0.05530
 C       1.48866  0    114.42599  0    125.51033  0    19  18   3    0.33250
 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   -0.36480
 C       1.45235  0    123.47707  0    179.52223  0    22  20  19   -0.02040
 C       1.53754  0    111.92080  0    301.14966  0    23  22  20    0.18290
 O       1.25976  0    125.74037  0    157.66496  0    24  23  22   -0.35430
 H       1.11400  1    115.30539  1    338.21211  1    24  23  22    0.09870
 C       1.54240  1    113.61217  1    178.10920  1    23  22  20   -0.07600
 C       1.46564  1    110.41609  1    268.65272  1    27  23  22   -0.20370
 C       1.39937  1    126.28429  1     84.05117  1    28  27  23   -0.01010
 N       1.39231  1    109.85411  1    180.75731  1    29  28  27   -0.20830
 C       1.39799  1    108.63178  1    359.13972  1    30  29  28   -0.01550
 C       1.44912  1    107.98971  1      0.98683  1    31  30  29   -0.06900
 C       1.39547  1    119.30835  1    179.34097  1    32  31  30   -0.10170
 C       1.38697  1    119.08834  1      0.10483  1    33  32  31   -0.17100
 C       1.40603  1    121.25791  1      0.54697  1    34  33  32   -0.14280
 C       1.38628  1    121.60465  1    359.53916  1    35  34  33   -0.12680
 H       1.10014  1    121.57455  1    177.99522  1    36  35  34    0.15140
 H       1.09937  1    119.15692  1    179.41758  1    35  34  33    0.11290
 H       1.09879  1    119.74662  1    180.20438  1    34  33  32    0.10430
 H       1.09912  1    119.86416  1    180.08608  1    33  32  31    0.12640
 H       0.98900  1    126.00355  1    180.09311  1    30  29  28    0.26390
 H       1.10436  1    128.15949  1    359.24835  1    29  28  27    0.22930
 H       1.12436  1    110.88745  1     31.07663  1    27  23  22    0.11580
 H       1.12402  1    108.16936  1    149.01250  1    27  23  22    0.08820
 H       1.13458  1    108.08310  1     57.60126  1    23  22  20    0.11850
 H       1.00705  1    122.31888  1    358.67240  1    22  20  19    0.29810
 C       1.53709  1    114.14144  1    347.71168  1    19  18   3   -0.20910
 C       1.53315  1    110.55705  1    205.39972  1    47  19  18    0.31000
 O       1.28252  1    118.41594  1    255.52432  1    48  47  19   -0.64370
 O       1.26408  1    122.72790  1     77.07843  1    48  47  19   -0.54150
 C       2.36584  0    116.71224  1    191.34996  1    50  48  47   -0.00700
 H       1.11392  1     64.93374  1    356.15389  1    51  50  48    0.17300
 H       1.11241  1     72.83734  1    228.53759  1    51  50  48    0.12900
Cl       1.84230  1    161.72654  1    308.92076  1    51  50  48   -0.33480
 C       1.50304  1     89.08005  1    114.58790  1    51  50  48   -0.17610
 H       1.12720  1    106.69331  1      0.57796  1    55  51  50    0.14210
 H       1.12207  1    110.65882  1    243.72734  1    55  51  50    0.07010
 C       1.51602  1    112.39619  1    121.03226  1    55  51  50   -0.16710
 H       1.12395  1    109.69790  1    325.59060  1    58  55  51    0.09100
 C       1.50525  1    111.76030  1    204.62610  1    58  55  51   -0.21710
 H       1.11739  1    110.89970  1    303.94875  1    60  58  55    0.05860
 H       1.11811  1    110.62012  1    183.44345  1    60  58  55    0.06150
 H       1.11881  1    110.46843  1     63.69192  1    60  58  55    0.08950
 H       1.12361  1    109.48318  1     82.60255  1    58  55  51    0.06670
 H       1.11934  1    109.65087  1    324.35585  1    47  19  18    0.12890
 H       1.11841  1    111.61201  1     83.33728  1    47  19  18    0.08810
 H       1.16067  1    107.72024  1    236.11744  1    19  18   3    0.07920
 H       1.00182  1    152.61233  1    333.66256  1    18   3   2    0.14960
 H       1.00225  1     88.05881  1    200.75142  1    18   3   2    0.16460
 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    0.20200
 O       1.23698  0    121.33134  0    141.68350  0    72  71  70   -0.33020
 H       1.11016  1    116.38806  1    320.36488  1    72  71  70    0.10420
 C       1.52892  1    116.75657  1    349.89198  1    71  70   3   -0.15180
 C       1.48851  1    115.38799  1    282.36860  1    75  71  70   -0.06430
 C       1.39710  1    123.97308  1    358.25655  1    76  75  71   -0.12710
 C       1.39607  1    120.42055  1    180.97684  1    77  76  75   -0.13490
 C       1.39226  1    120.40397  1    359.77450  1    78  77  76   -0.13080
 C       1.39613  1    119.60033  1    359.59762  1    79  78  77   -0.12810
 C       1.39136  1    120.10127  1      0.61331  1    80  79  78   -0.12980
 H       1.10157  1    119.82191  1    180.80948  1    81  80  79    0.14540
 H       1.10174  1    120.01415  1    181.68437  1    80  79  78    0.13550
 H       1.10014  1    120.12927  1    180.82933  1    79  78  77    0.13130
 H       1.09975  1    119.69165  1    180.97108  1    78  77  76    0.12540
 H       1.09960  1    121.14506  1      1.93779  1    77  76  75    0.13130
 H       1.12577  1    109.41582  1     45.71199  1    75  71  70    0.11280
 H       1.12640  1    108.11298  1    161.73704  1    75  71  70    0.09450
 H       1.12978  1    106.40058  1    228.02476  1    71  70   3    0.11390
 H       1.00537  1     62.52626  1    216.96397  1    70   3   2    0.17870
 H       1.00432  1     47.57419  1     57.25662  1    70   3   2    0.15130
 N      16.98887  0     78.77108  0    276.65240  0     3   2   1   -0.32930
 C       1.47352  0     50.04108  0    198.47436  0    92   3   2   -0.09590
 C       1.54084  0    112.94709  0     70.56927  0    93  92   3    0.18650
 O       1.24033  0    121.30901  0    176.74567  0    94  93  92   -0.29840
 H       1.11089  1    117.29892  1    356.62571  1    94  93  92    0.09270
 C       1.54488  1    112.84827  1    309.35024  1    93  92   3   -0.15110
 C       1.49027  1    110.77749  1     52.07156  1    97  93  92   -0.06570
 C       1.40096  1    120.41833  1     84.24328  1    98  97  93   -0.13460
 C       1.39361  1    120.53822  1    181.07499  1    99  98  97   -0.11460
 C       1.39544  1    120.11987  1    359.66043  1   100  99  98   -0.14430
 C       1.39404  1    119.81761  1    359.78803  1   101 100  99   -0.12340
 C       1.39421  1    120.16686  1      0.36198  1   102 101 100   -0.14240
 H       1.09985  1    119.89267  1    181.83949  1   103 102 101    0.12180
 H       1.09929  1    119.92462  1    181.32916  1   102 101 100    0.12150
 H       1.09990  1    119.91409  1    180.89504  1   101 100  99    0.13460
 H       1.10194  1    119.98521  1    180.59161  1   100  99  98    0.14200
 H       1.10234  1    119.55308  1      1.91650  1    99  98  97    0.14140
 H       1.12378  1    109.49610  1    173.94576  1    97  93  92    0.14010
 H       1.12198  1    109.55231  1    290.90239  1    97  93  92    0.10970
 H       1.12736  1    107.00883  1    189.33520  1    93  92   3    0.13270
 H       1.00332  1     91.02712  1     85.02742  1    92   3   2    0.14500
 H       1.00339  1     72.20897  1    336.85621  1    92   3   2    0.13280
 N      17.89408  0     97.90475  0    267.28960  0     3   2   1   -0.29260
 C       1.43736  0    110.29372  0    222.59590  0   114   3   2   -0.11270
 C       1.49667  0    113.30282  0     44.24659  0   115 114   3    0.18340
 O       1.21152  0    117.76296  0    341.83825  0   116 115 114   -0.30560
 H       1.11000  1    117.51728  1    162.04651  1   116 115 114    0.11110
 C       1.55137  1    110.01997  1    279.58703  1   115 114   3   -0.17420
 C       1.52287  1    105.37065  1    359.42352  1   119 115 114   -0.17320
 C       1.53688  1    105.92012  1    355.86432  1   120 119 115   -0.09100
 H       1.12268  1    110.79853  1    130.93105  1   121 120 119    0.08570
 H       1.12447  1    110.14704  1    249.98442  1   121 120 119    0.07100
 H       1.11802  1    110.69501  1    115.95170  1   120 119 115    0.10960
 H       1.11627  1    111.18097  1    235.63260  1   120 119 115    0.07690
 H       1.12270  1    112.41286  1    120.83596  1   119 115 114    0.16070
 H       1.11663  1    109.72744  1    239.70808  1   119 115 114    0.08830
 H       1.13351  1    106.63074  1    162.33209  1   115 114   3    0.09280
 H       1.00620  1     33.55262  1    321.86895  1   114   3   2    0.16830
 N      17.12834  0    109.64320  0    254.84939  0     3   2   1   -0.35340
 C       1.45843  0     53.82819  0    185.26230  0   130   3   2   -0.06730
 C       1.54573  0    115.39702  0    325.30114  0   131 130   3    0.18120
 O       1.21650  0    121.78862  0    193.10814  0   132 131 130   -0.30840
 H       1.11457  1    116.17365  1     14.13915  1   132 131 130    0.07560
 C       1.53325  1    113.37142  1    196.43083  1   131 130   3   -0.22430
 C       1.53538  1    116.87857  1     34.94394  1   135 131 130    0.33320
 O       1.26976  1    120.19671  1     26.94544  1   136 135 131   -0.60990
 O       1.26467  1    117.12763  1    206.72370  1   136 135 131   -0.57960
 H       1.12041  1    108.88898  1    156.65850  1   135 131 130    0.10060
 H       1.12025  1    108.20390  1    273.61980  1   135 131 130    0.07260
 H       1.13612  1    105.57525  1     78.78915  1   131 130   3    0.07820
 H       1.00619  1    134.99844  1    101.86999  1   130   3   2    0.18290
 H       1.00373  1     56.51962  1     18.89589  1   130   3   2    0.12090
 N      12.50007  0     97.91996  0    261.63373  0     3   2   1   -0.33700
 C       1.44534  0     57.31406  0    322.50817  0   144   3   2   -0.08410
 C       1.53835  0    116.53274  0    230.26398  0   145 144   3    0.19630
 O       1.24316  0    120.46732  0    146.99107  0   146 145 144   -0.31230
 H       1.10871  1    117.20857  1    325.58145  1   146 145 144    0.10000
 C       1.55269  1    113.29015  1    106.64350  1   145 144   3   -0.16640
 C       1.48643  1    113.87367  1    182.54930  1   149 145 144   -0.07310
 C       1.40075  1    120.51721  1     68.78344  1   150 149 145   -0.11900
 C       1.39410  1    120.37859  1    179.04525  1   151 150 149   -0.12060
 C       1.39515  1    120.18624  1      0.17047  1   152 151 150   -0.14710
 C       1.39461  1    119.73251  1    359.31701  1   153 152 151   -0.13660
 C       1.39353  1    120.19625  1      0.38885  1   154 153 152   -0.13020
 H       1.09979  1    119.85664  1    180.30470  1   155 154 153    0.12050
 H       1.09908  1    119.91844  1    180.47938  1   154 153 152    0.11710
 H       1.10185  1    119.92214  1    179.62160  1   153 152 151    0.13690
 H       1.10231  1    119.55036  1    180.98648  1   152 151 150    0.14440
 H       1.10277  1    119.99405  1    358.87989  1   151 150 149    0.15290
 H       1.12570  1    107.92412  1    302.94682  1   149 145 144    0.10340
 H       1.12406  1    109.08832  1     58.90408  1   149 145 144    0.10290
 H       1.13615  1    106.21224  1    349.29918  1   145 144   3    0.12460
 H       1.00147  1     76.07656  1     88.25488  1   144   3   2    0.17480
 H       1.00179  1    168.55938  1    328.96992  1   144   3   2    0.15100
 N      10.94337  0    106.51163  0    240.89105  0     3   2   1   -0.33770
 C       1.46213  0     14.86456  0    265.09140  0   166   3   2   -0.08890
 C       1.54890  0    109.51012  0    131.27165  0   167 166   3    0.21350
 O       1.23101  0    125.00583  0    126.76891  0   168 167 166   -0.33390
 H       1.11459  1    113.73712  1    305.06241  1   168 167 166    0.09610
 C       1.54473  1    111.38768  1     11.49905  1   167 166   3   -0.12730
 C       1.46414  1    118.12221  1    174.63573  1   171 167 166   -0.18430
 C       1.39844  1    127.17042  1    282.04384  1   172 171 167   -0.08270
 N       1.39434  1    110.48934  1    189.21241  1   173 172 171   -0.19350
 C       1.40043  1    108.00588  1      3.55849  1   174 173 172   -0.01160
 C       1.44480  1    108.29915  1    356.36008  1   175 174 173   -0.07870
 C       1.39738  1    119.18294  1    179.89251  1   176 175 174   -0.11080
 C       1.38631  1    118.90680  1    359.74269  1   177 176 175   -0.13440
 C       1.40762  1    121.44959  1      0.08881  1   178 177 176   -0.10880
 C       1.38508  1    121.52971  1      0.53085  1   179 178 177   -0.14120
 H       1.10211  1    120.72963  1    181.13638  1   180 179 178    0.16050
 H       1.10534  1    119.96336  1    182.18503  1   179 178 177    0.15400
 H       1.10038  1    119.60371  1    181.42976  1   178 177 176    0.13140
 H       1.10008  1    120.28596  1    180.42617  1   177 176 175    0.13730
 H       0.99101  1    124.83826  1    163.18291  1   174 173 172    0.26320
 H       1.09162  1    129.04568  1     10.40769  1   173 172 171    0.14890
 H       1.12741  1    107.38037  1    296.92701  1   171 167 166    0.10990
 H       1.12993  1    107.89818  1     51.89349  1   171 167 166    0.09070
 H       1.12575  1    108.60167  1    250.48831  1   167 166   3    0.11520
 H       1.00286  1     99.59804  1    133.98704  1   166   3   2    0.16030
 H       1.00422  1    103.68751  1     21.89587  1   166   3   2    0.14750
 N      10.01719  0    101.54687  0    205.40459  0     3   2   1   -0.32940
 C       1.44716  0     60.44593  0    312.77637  0   192   3   2   -0.06330
 C       1.51484  0    114.54894  0    162.40538  0   193 192   3    0.31950
 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   -0.37140
 C       1.46169  0    117.94215  0    183.10701  0   196 194 193   -0.04420
 C       1.50738  0    120.92050  0    281.62350  0   197 196 194    0.19600
 O       1.23358  0    117.93172  0    174.66855  0   198 197 196   -0.31700
 H       1.10888  1    119.03518  1    356.33535  1   198 197 196    0.10520
 C       1.55393  1    111.16809  1    154.40350  1   197 196 194   -0.11090
 C       1.51207  1    111.39723  1    299.39484  1   201 197 196   -0.21120
 H       1.11724  1    111.50665  1     69.75493  1   202 201 197    0.08180
 H       1.11726  1    109.77641  1    189.41937  1   202 201 197    0.07440
 H       1.11682  1    110.59274  1    309.19398  1   202 201 197    0.08740
 C       1.51254  1    111.98550  1     64.31585  1   201 197 196   -0.21160
 H       1.11710  1    110.42912  1     49.72152  1   206 201 197    0.06850
 H       1.11723  1    109.81094  1    169.39592  1   206 201 197    0.07750
 H       1.11667  1    111.64971  1    288.82302  1   206 201 197    0.07790
 H       1.12930  1    105.73540  1    182.20106  1   201 197 196    0.10770
 H       1.14247  1    105.42132  1     39.02944  1   197 196 194    0.14120
 H       0.98834  1    122.48992  1      3.76850  1   196 194 193    0.24450
 C       1.54217  1    116.62433  1     34.36907  1   193 192   3   -0.19950
 C       1.52261  1    112.35565  1    268.24738  1   213 193 192   -0.10220
 C       1.51616  1    109.91043  1    168.84275  1   214 213 193   -0.23160
 H       1.12133  1    111.38404  1     72.54227  1   215 214 213    0.12160
 H       1.11768  1    110.08595  1    191.63037  1   215 214 213    0.08500
 H       1.11661  1    110.26564  1    311.05058  1   215 214 213    0.06880
 C       1.51507  1    112.17568  1    290.47500  1   214 213 193   -0.20910
 H       1.11585  1    111.57332  1     64.71907  1   219 214 213    0.05380
 H       1.11732  1    109.64567  1    184.79351  1   219 214 213    0.08410
 H       1.11717  1    110.41857  1    303.74400  1   219 214 213    0.08920
 H       1.12902  1    108.12145  1     50.62384  1   214 213 193    0.07910
 H       1.12324  1    109.73522  1     30.81348  1   213 193 192    0.09200
 H       1.12193  1    109.88551  1    148.54977  1   213 193 192    0.09330
 H       1.13980  1    105.09472  1    275.84132  1   193 192   3    0.13220
 H       1.00510  1     57.35146  1    169.18868  1   192   3   2    0.16190
 H       1.00468  1     96.61660  1     62.88440  1   192   3   2    0.14390
 N      11.18833  0    145.22708  0    179.37926  0     3   2   1   -0.32800
 C       1.47538  0     38.91567  0     92.42374  0   229   3   2   -0.11230
 C       1.53156  0    110.85889  0     76.62987  0   230 229   3    0.20630
 O       1.23608  0    120.93801  0    131.97322  0   231 230 229   -0.28190
 H       1.10921  1    116.55595  1    310.92142  1   231 230 229    0.09070
 C       1.54051  1    112.51137  1    314.03818  1   230 229   3   -0.14130
 C       1.48583  1    114.11903  1    196.79139  1   234 230 229   -0.09970
 C       1.39829  1    121.44213  1    250.17523  1   235 234 230   -0.12070
 C       1.39544  1    120.28546  1    185.33063  1   236 235 234   -0.11110
 C       1.39591  1    120.10162  1    359.73005  1   237 236 235   -0.12430
 C       1.39599  1    119.80523  1    359.30722  1   238 237 236   -0.14540
 C       1.39227  1    120.16866  1      0.79845  1   239 238 237   -0.12340
 H       1.09965  1    119.98150  1    179.61873  1   240 239 238    0.11930
 H       1.10086  1    119.75113  1    180.25032  1   239 238 237    0.13530
 H       1.10374  1    120.18482  1    178.75837  1   238 237 236    0.16690
 H       1.10222  1    120.13988  1    179.33152  1   237 236 235    0.16280
 H       1.10023  1    120.14139  1      3.57444  1   236 235 234    0.13120
 H       1.12546  1    107.56793  1    315.40990  1   234 230 229    0.08160
 H       1.12392  1    109.09499  1     71.07420  1   234 230 229    0.08690
 H       1.12999  1    107.45742  1    194.38976  1   230 229   3    0.13760
 H       1.00125  1    118.07110  1      6.86367  1   229   3   2    0.14400
 H       1.00162  1     71.11573  1    265.35760  1   229   3   2    0.13200
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32140
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11500
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19440
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.29900
 H       1.11127  1    116.74565  1    347.76153  1   253 252 251    0.07930
 C       1.53907  1    116.10569  1    338.53832  1   252 251   3   -0.10270
 C       1.46907  1    109.44828  1    290.75290  1   256 252 251   -0.17020
 C       1.39046  1    127.13292  1    110.59423  1   257 256 252   -0.06500
 N       1.40337  1    110.66279  1    184.19217  1   258 257 256   -0.20740
 C       1.40736  1    107.55572  1    355.68921  1   259 258 257   -0.02160
 C       1.44438  1    108.33276  1      4.15958  1   260 259 258   -0.07460
 C       1.39469  1    119.44942  1    177.92976  1   261 260 259   -0.09370
 C       1.38790  1    118.95426  1    359.53086  1   262 261 260   -0.14740
 C       1.40577  1    121.32395  1    359.94929  1   263 262 261   -0.10080
 C       1.38830  1    121.43060  1      0.37733  1   264 263 262   -0.16350
 H       1.09809  1    121.18406  1    179.65434  1   265 264 263    0.13000
 H       1.10414  1    118.53736  1    180.17348  1   264 263 262    0.15990
 H       1.10082  1    119.89480  1    179.29550  1   263 262 261    0.14460
 H       1.10007  1    120.12374  1    178.76635  1   262 261 260    0.13800
 H       0.98995  1    122.47853  1    203.85169  1   259 258 257    0.23800
 H       1.09424  1    129.18684  1      1.66164  1   258 257 256    0.16600
 H       1.12153  1    110.49502  1     52.86507  1   256 252 251    0.08240
 H       1.12470  1    108.56975  1    171.05926  1   256 252 251    0.11720
 H       1.14129  1    105.27896  1    221.89465  1   252 251   3    0.13280
 H       1.00460  1     89.74518  1    321.28548  1   251   3   2    0.16580
 H       1.00388  1     60.69160  1    211.11273  1   251   3   2    0.12920
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34450
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04230
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.32980
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41760
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.31090
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.03070
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19160
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.32530
 H       1.11017  1    116.79603  1    314.78213  1   283 282 281    0.09520
 C       1.54501  1    107.39000  1    183.41178  1   282 281 279   -0.15740
 C       1.52603  1    105.70022  1    351.31367  1   286 282 281   -0.16660
 C       1.53877  1    106.42205  1     12.90171  1   287 286 282   -0.05010
 H       1.12553  1    109.67219  1    106.17133  1   288 287 286    0.06960
 H       1.13270  1    111.02803  1    226.88454  1   288 287 286    0.19150
 H       1.11680  1    111.57469  1    133.49557  1   287 286 282    0.07660
 H       1.11988  1    110.84459  1    253.58257  1   287 286 282    0.11440
 H       1.11772  1    110.62663  1    111.49016  1   286 282 281    0.07230
 H       1.11733  1    109.82930  1    230.89344  1   286 282 281    0.10550
 H       1.13148  1    109.81982  1     63.16225  1   282 281 279    0.13340
 C       1.54674  1    114.99142  1    334.02357  1   278 277   3   -0.18900
 C       1.48961  1    111.01314  1    304.82346  1   296 278 277   -0.07610
 C       1.40070  1    120.66990  1    300.26647  1   297 296 278   -0.13920
 C       1.39377  1    120.29178  1    180.10764  1   298 297 296   -0.15130
 C       1.39459  1    120.11240  1      0.46613  1   299 298 297   -0.16070
 C       1.39435  1    119.81683  1      0.32073  1   300 299 298   -0.13010
 C       1.39497  1    120.42150  1    359.46853  1   301 300 299   -0.10210
 H       1.11394  1    120.05560  1    178.54240  1   302 301 300    0.21910
 H       1.09964  1    120.31725  1    178.63547  1   301 300 299    0.12880
 H       1.09843  1    119.98211  1    179.54247  1   300 299 298    0.10400
 H       1.09862  1    119.77749  1    179.66360  1   299 298 297    0.10750
 H       1.10023  1    119.82498  1    358.90669  1   298 297 296    0.13180
 H       1.12973  1    110.22200  1     66.49428  1   296 278 277    0.15930
 H       1.12159  1    108.55428  1    184.54582  1   296 278 277    0.11450
 H       1.14013  1    106.33853  1    216.09474  1   278 277   3    0.11900
 H       1.00439  1    100.17459  1    304.04870  1   277   3   2    0.15350
 H       1.00577  1     59.30999  1    199.18054  1   277   3   2    0.15510
 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       1.11510  1    115.04315  1    317.49391  1   315 314 313    0.08350
 C       1.54301  1    116.45098  1     25.81498  1   314 313   3   -0.13330
 C       1.51437  1    110.14364  1    188.89018  1   318 314 313   -0.21300
 H       1.11753  1    110.42585  1     66.85639  1   319 318 314    0.07340
 H       1.11766  1    109.98548  1    186.37991  1   319 318 314    0.08450
 H       1.11688  1    110.81805  1    306.66019  1   319 318 314    0.07520
 C       1.51531  1    111.10359  1    310.81985  1   318 314 313   -0.22670
 H       1.11972  1    110.97590  1     71.83276  1   323 318 314    0.08460
 H       1.11973  1    110.12856  1    191.13076  1   323 318 314    0.10110
 H       1.11749  1    110.77216  1    311.09433  1   323 318 314    0.07660
 H       1.12806  1    108.33632  1     69.57783  1   318 314 313    0.10010
 H       1.13056  1    106.31268  1    265.87908  1   314 313   3    0.12050
 H       1.00357  1     21.68497  1    348.16024  1   313   3   2    0.17270
 H       1.00159  1    100.21224  1    233.97187  1   313   3   2    0.14530
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.33740
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.08030
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.15800
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33790
 H       1.10998  1    115.31795  1    133.11363  1   333 332 331    0.12010
 C       1.52839  1    110.73222  1     57.76354  1   332 331   3   -0.21390
 C       1.51246  1    115.98572  1    186.19070  1   336 332 331    0.31190
 O       1.26705  1    122.58584  1     19.90300  1   337 336 332   -0.59060
 O       1.27262  1    116.62355  1    198.59805  1   337 336 332   -0.58900
 H       1.12440  1    108.71163  1    305.36885  1   336 332 331    0.11160
 H       1.12192  1    109.73766  1     63.47162  1   336 332 331    0.08430
 H       1.12941  1    108.32648  1    298.44686  1   332 331   3    0.14400
 H       1.00240  1     99.79548  1     58.29592  1   331   3   2    0.13540
 H       1.00214  1    145.00529  1    275.77591  1   331   3   2    0.12900
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36390
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02770
 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   -0.42330
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36660
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04210
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19600
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29740
 H       1.10279  1    120.66906  1     53.69063  1   351 350 349    0.10900
 C       1.54744  1    110.22819  1    113.08470  1   350 349 347   -0.15670
 C       1.51976  1    113.77394  1    294.88907  1   354 350 349   -0.11230
 C       1.51689  1    109.33682  1    171.32708  1   355 354 350   -0.20960
 H       1.11636  1    110.58007  1     60.85348  1   356 355 354    0.05970
 H       1.11803  1    110.34815  1    180.95577  1   356 355 354    0.07100
 H       1.11725  1    110.40016  1    300.84563  1   356 355 354    0.08790
 C       1.51455  1    111.61912  1    293.45696  1   355 354 350   -0.21110
 H       1.11810  1    110.44600  1     67.27389  1   360 355 354    0.08660
 H       1.11827  1    110.41168  1    186.43360  1   360 355 354    0.06670
 H       1.11656  1    110.69744  1    306.55313  1   360 355 354    0.05070
 H       1.12760  1    109.43446  1     53.17230  1   355 354 350    0.09850
 H       1.12315  1    108.46778  1     57.89496  1   354 350 349    0.12550
 H       1.12206  1    108.63505  1    174.43811  1   354 350 349    0.08340
 H       1.14074  1    106.27650  1    357.44832  1   350 349 347    0.10590
 H       1.00318  1    121.44478  1    358.79204  1   349 347 346    0.28620
 C       1.53867  1    113.81830  1    354.09990  1   346 345   3   -0.17900
 C       1.52212  1    113.68901  1    302.62102  1   369 346 345   -0.09810
 C       1.51827  1    112.67842  1     86.10335  1   370 369 346   -0.21730
 H       1.11931  1    111.60417  1     27.01967  1   371 370 369    0.10860
 H       1.11852  1    110.38841  1    147.31443  1   371 370 369    0.06720
 H       1.11688  1    110.64867  1    266.70247  1   371 370 369    0.08390
 C       1.51645  1    109.37259  1    208.91945  1   370 369 346   -0.21140
 H       1.11772  1    110.42678  1     55.31921  1   375 370 369    0.05270
 H       1.11852  1    110.55450  1    175.44103  1   375 370 369    0.06870
 H       1.11728  1    110.37731  1    295.18046  1   375 370 369    0.09460
 H       1.12434  1    108.24644  1    326.85305  1   370 369 346    0.07440
 H       1.12350  1    110.28588  1     64.53341  1   369 346 345    0.10670
 H       1.12310  1    107.28848  1    181.02439  1   369 346 345    0.08340
 H       1.13167  1    106.69348  1    234.13668  1   346 345   3    0.10570
 H       1.00604  1     42.42869  1    159.19679  1   345   3   2    0.20010
 H       1.00079  1    135.41762  1     94.78985  1   345   3   2    0.13790
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34700
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.06180
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27540
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.35950
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.36300
 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    0.18140
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31650
 H       1.10943  1    115.94794  1     81.67697  1   391 390 389    0.10780
 C       1.53141  1    114.06867  1    146.39830  1   390 389 387   -0.13200
 C       1.48699  1    113.56119  1    304.10149  1   394 390 389   -0.09520
 C       1.40058  1    121.27603  1    308.54793  1   395 394 390   -0.12820
 C       1.39489  1    120.53721  1    180.67724  1   396 395 394   -0.10440
 C       1.39602  1    119.79275  1      0.54231  1   397 396 395   -0.11860
 C       1.39423  1    120.00490  1    359.78854  1   398 397 396   -0.15410
 C       1.39374  1    120.19156  1    359.87830  1   399 398 397   -0.14430
 H       1.09949  1    119.85276  1    180.77687  1   400 399 398    0.11620
 H       1.09967  1    120.02206  1    181.00618  1   399 398 397    0.11580
 H       1.10065  1    119.45704  1    180.94443  1   398 397 396    0.14390
 H       1.11085  1    120.41058  1    181.71556  1   397 396 395    0.20220
 H       1.10096  1    120.16705  1      1.78358  1   396 395 394    0.13910
 H       1.12381  1    109.08709  1     67.76224  1   394 390 389    0.10000
 H       1.12385  1    107.13064  1    183.40297  1   394 390 389    0.09430
 H       1.13500  1    107.54549  1     25.56356  1   390 389 387    0.13740
 H       0.99660  1    121.61690  1    346.47070  1   389 387 386    0.23490
 C       1.53824  1    112.27265  1    312.70722  1   386 385   3   -0.07700
 C       1.47311  1    108.82360  1    187.35933  1   410 386 385   -0.15090
 N       1.39757  1    123.96809  1     93.07234  1   411 410 386   -0.16130
 C       1.39243  1    106.56517  1    188.86590  1   412 411 410   -0.08750
 N       1.35573  1    111.68525  1    358.26400  1   413 412 411   -0.15460
 C       1.38611  1    105.75663  1      0.15639  1   414 413 412   -0.18070
 H       1.08907  1    121.84676  1    181.25787  1   415 414 413    0.15920
 H       1.09370  1    122.99673  1    180.82199  1   413 412 411    0.18700
 H       1.00056  1    124.52986  1    355.57528  1   412 411 410    0.30130
 H       1.12869  1    108.30018  1    307.54014  1   410 386 385    0.14670
 H       1.12077  1    110.67711  1     66.46103  1   410 386 385    0.07670
 H       1.13418  1    106.30915  1    194.99013  1   386 385   3    0.16620
 H       0.99892  1     71.02755  1    198.01165  1   385   3   2    0.14070
 H       0.99783  1    122.24191  1     95.60894  1   385   3   2    0.13840
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.42910
 H       0.96562  1     63.01229  1    308.59759  1   424   3   2    0.22090
 H       0.96261  1    164.79263  1    288.65204  1   424   3   2    0.20420

