


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.34800
 C       1.43541  0      0.00000  0      0.00000  0     1   0   0   -0.08830
 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   -0.28930
 H       1.10949  1    117.84507  1    136.55306  1     3   2   1    0.08230
 C       1.53942  1    108.81467  1     82.92716  1     2   3   4   -0.16320
 C       1.51137  1    112.88874  1     58.25094  1     6   2   3   -0.22140
 C       1.52837  1    113.67225  1     76.58416  1     7   6   2    0.32830
 O       1.26396  1    120.27433  1    296.77648  1     8   7   6   -0.56930
 O       1.27473  1    118.22146  1    117.61681  1     8   7   6   -0.63340
 H       1.12293  1    108.98698  1    197.33285  1     7   6   2    0.05830
 H       1.12082  1    110.36601  1    314.85672  1     7   6   2    0.06430
 H       1.12186  1    108.53429  1    179.56372  1     6   2   3    0.08280
 H       1.12459  1    108.75320  1    295.88529  1     6   2   3    0.08140
 H       1.13375  1    109.66287  1    199.34523  1     2   3   4    0.13790
 H       1.00442  1    109.69266  1    163.93341  1     1   2   3    0.14010
 H       1.01097  1    111.45975  1     46.12540  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   -0.05510
 C       1.48866  0    114.42599  0    125.51033  0    19  18   3    0.33130
 O       1.22130  0    115.93694  0     35.03719  0    20  19  18   -0.44800
 N       1.33108  0    117.44794  0    215.43053  0    20  19  18   -0.36560
 C       1.45235  0    123.47707  0    179.52223  0    22  20  19   -0.02080
 C       1.53754  0    111.92080  0    301.14966  0    23  22  20    0.18300
 O       1.25976  0    125.74037  0    157.66496  0    24  23  22   -0.35460
 H       1.11401  1    115.30499  1    338.30251  1    24  23  22    0.09880
 C       1.54183  1    113.68981  1    178.20746  1    23  22  20   -0.07430
 C       1.46555  1    110.58286  1    268.52394  1    27  23  22   -0.20310
 C       1.39944  1    126.33723  1     81.78066  1    28  27  23   -0.01060
 N       1.39280  1    109.90173  1    181.22277  1    29  28  27   -0.20910
 C       1.39854  1    108.56719  1    358.86880  1    30  29  28   -0.01590
 C       1.44931  1    108.02178  1      1.35024  1    31  30  29   -0.06850
 C       1.39559  1    119.27342  1    179.11792  1    32  31  30   -0.10130
 C       1.38689  1    119.09154  1      0.20846  1    33  32  31   -0.17070
 C       1.40593  1    121.25852  1      0.49322  1    34  33  32   -0.14370
 C       1.38633  1    121.61242  1    359.50572  1    35  34  33   -0.12700
 H       1.10013  1    121.57144  1    178.03503  1    36  35  34    0.15170
 H       1.09940  1    119.14369  1    179.42473  1    35  34  33    0.11260
 H       1.09879  1    119.74112  1    180.29023  1    34  33  32    0.10360
 H       1.09912  1    119.85861  1    180.23946  1    33  32  31    0.12610
 H       0.98909  1    125.95781  1    182.61126  1    30  29  28    0.26390
 H       1.10452  1    128.22065  1    359.75581  1    29  28  27    0.23010
 H       1.12461  1    110.75773  1     30.78571  1    27  23  22    0.11510
 H       1.12392  1    108.21376  1    148.64858  1    27  23  22    0.08770
 H       1.13460  1    108.11832  1     57.59036  1    23  22  20    0.11750
 H       1.00762  1    122.34111  1    357.86634  1    22  20  19    0.29930
 C       1.53738  1    113.81317  1    348.85893  1    19  18   3   -0.20670
 C       1.53287  1    110.42228  1    206.20742  1    47  19  18    0.30760
 O       1.28312  1    118.76067  1    256.72286  1    48  47  19   -0.64640
 O       1.26217  1    122.29759  1     79.44892  1    48  47  19   -0.53970
 C       2.56584  0    113.30173  1    191.07458  1    50  48  47   -0.04450
 H       1.11888  1     59.61379  1    350.23872  1    51  50  48    0.17840
 H       1.11416  1     75.41988  1    224.98329  1    51  50  48    0.12300
Cl       1.81615  1    161.19152  1    320.49630  1    51  50  48   -0.29410
 C       1.50292  1     86.07808  1    110.36461  1    51  50  48   -0.18060
 H       1.12893  1    105.91564  1    358.95663  1    55  51  50    0.14870
 H       1.12172  1    110.81403  1    242.66268  1    55  51  50    0.07300
 C       1.51494  1    112.70306  1    119.15004  1    55  51  50   -0.16590
 H       1.12375  1    109.57140  1    327.11117  1    58  55  51    0.08980
 C       1.50547  1    111.71624  1    206.12939  1    58  55  51   -0.21430
 H       1.11750  1    110.73446  1    304.67076  1    60  58  55    0.06050
 H       1.11819  1    110.54809  1    184.42203  1    60  58  55    0.05980
 H       1.11880  1    110.51544  1     64.62030  1    60  58  55    0.09040
 H       1.12321  1    109.66966  1     83.89056  1    58  55  51    0.06280
 H       1.12017  1    109.67135  1    324.98787  1    47  19  18    0.12720
 H       1.11792  1    111.67318  1     83.90785  1    47  19  18    0.08670
 H       1.15902  1    108.00376  1    236.56065  1    19  18   3    0.07950
 H       1.00181  1    152.71262  1    332.09356  1    18   3   2    0.14850
 H       1.00237  1     87.62619  1    200.39209  1    18   3   2    0.16470
 N      11.18390  0     45.95169  0    335.35266  0     3   2   1   -0.33370
 C       1.48474  0    109.83433  0    318.64400  0    70   3   2   -0.09930
 C       1.54617  0    110.48582  0    112.74304  0    71  70   3    0.20220
 O       1.23698  0    121.33134  0    141.68350  0    72  71  70   -0.33050
 H       1.11019  1    116.39293  1    320.31629  1    72  71  70    0.10540
 C       1.52909  1    116.90274  1    349.54687  1    71  70   3   -0.15180
 C       1.48897  1    115.30641  1    282.56857  1    75  71  70   -0.05970
 C       1.39702  1    124.11152  1    359.91821  1    76  75  71   -0.13450
 C       1.39657  1    120.40949  1    180.71233  1    77  76  75   -0.12980
 C       1.39214  1    120.38914  1    359.71110  1    78  77  76   -0.13250
 C       1.39615  1    119.60256  1    359.43596  1    79  78  77   -0.12760
 C       1.39112  1    120.11330  1      0.93146  1    80  79  78   -0.13180
 H       1.10107  1    119.85089  1    180.69757  1    81  80  79    0.14410
 H       1.10159  1    120.01738  1    181.91616  1    80  79  78    0.13540
 H       1.10021  1    120.14581  1    181.10461  1    79  78  77    0.13110
 H       1.09978  1    119.65124  1    180.26144  1    78  77  76    0.12550
 H       1.09944  1    121.18264  1      1.26226  1    77  76  75    0.13350
 H       1.12552  1    109.53600  1     46.12119  1    75  71  70    0.11290
 H       1.12609  1    108.19772  1    161.82175  1    75  71  70    0.09410
 H       1.13020  1    106.32821  1    228.15087  1    71  70   3    0.11330
 H       1.00502  1     63.37462  1    216.61571  1    70   3   2    0.17790
 H       1.00411  1     46.76277  1     57.16033  1    70   3   2    0.15200
 N      16.98887  0     78.77108  0    276.65240  0     3   2   1   -0.33070
 C       1.47352  0     50.04108  0    198.47436  0    92   3   2   -0.09600
 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   -0.29820
 H       1.11105  1    117.33571  1    356.67576  1    94  93  92    0.09140
 C       1.54446  1    112.87992  1    309.22208  1    93  92   3   -0.14980
 C       1.48999  1    110.91294  1     53.06174  1    97  93  92   -0.06540
 C       1.40083  1    120.31728  1     83.67220  1    98  97  93   -0.13490
 C       1.39344  1    120.29453  1    181.18517  1    99  98  97   -0.11470
 C       1.39550  1    120.10436  1    359.58782  1   100  99  98   -0.14410
 C       1.39425  1    119.81401  1    359.76134  1   101 100  99   -0.12330
 C       1.39448  1    120.17622  1      0.39399  1   102 101 100   -0.14140
 H       1.09994  1    119.87818  1    181.77465  1   103 102 101    0.12270
 H       1.09928  1    119.92153  1    181.31710  1   102 101 100    0.12170
 H       1.09992  1    119.92780  1    180.92018  1   101 100  99    0.13480
 H       1.10179  1    119.94929  1    180.63288  1   100  99  98    0.14120
 H       1.10246  1    119.52276  1      2.13432  1    99  98  97    0.14200
 H       1.12405  1    109.40727  1    174.69606  1    97  93  92    0.13950
 H       1.12169  1    109.58409  1    291.39483  1    97  93  92    0.11040
 H       1.12740  1    106.90341  1    189.26952  1    93  92   3    0.13300
 H       1.00301  1     87.91479  1     81.58735  1    92   3   2    0.14680
 H       1.00298  1     74.80605  1    332.32731  1    92   3   2    0.13180
 N      17.89408  0     97.90475  0    267.28960  0     3   2   1   -0.29330
 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    0.18340
 O       1.21152  0    117.76296  0    341.83825  0   116 115 114   -0.30580
 H       1.11001  1    117.52006  1    162.01892  1   116 115 114    0.11120
 C       1.55134  1    110.02048  1    279.54399  1   115 114   3   -0.17390
 C       1.52272  1    105.36136  1    359.47062  1   119 115 114   -0.17360
 C       1.53726  1    105.90710  1    355.86391  1   120 119 115   -0.09060
 H       1.12264  1    110.79340  1    130.88738  1   121 120 119    0.08550
 H       1.12442  1    110.15723  1    249.95895  1   121 120 119    0.07110
 H       1.11802  1    110.70634  1    115.92385  1   120 119 115    0.10970
 H       1.11624  1    111.18722  1    235.64105  1   120 119 115    0.07720
 H       1.12267  1    112.39425  1    120.87817  1   119 115 114    0.16060
 H       1.11661  1    109.70910  1    239.73168  1   119 115 114    0.08840
 H       1.13359  1    106.61507  1    162.28567  1   115 114   3    0.09280
 H       1.00607  1     33.58754  1    321.92980  1   114   3   2    0.16850
 N      17.12834  0    109.64320  0    254.84939  0     3   2   1   -0.35280
 C       1.45843  0     53.82819  0    185.26230  0   130   3   2   -0.06700
 C       1.54573  0    115.39702  0    325.30114  0   131 130   3    0.17930
 O       1.21650  0    121.78862  0    193.10814  0   132 131 130   -0.30830
 H       1.11460  1    116.18011  1     14.11108  1   132 131 130    0.07770
 C       1.53326  1    113.39516  1    196.42086  1   131 130   3   -0.22530
 C       1.53548  1    116.88947  1     34.82568  1   135 131 130    0.33330
 O       1.26978  1    120.22146  1     26.92565  1   136 135 131   -0.60990
 O       1.26467  1    117.11300  1    206.71086  1   136 135 131   -0.57950
 H       1.12037  1    108.90227  1    156.53409  1   135 131 130    0.10100
 H       1.12029  1    108.18273  1    273.49184  1   135 131 130    0.07280
 H       1.13610  1    105.57611  1     78.82221  1   131 130   3    0.07810
 H       1.00619  1    135.05138  1    101.90115  1   130   3   2    0.18300
 H       1.00373  1     56.52777  1     18.98299  1   130   3   2    0.12000
 N      12.50007  0     97.91996  0    261.63373  0     3   2   1   -0.33640
 C       1.44534  0     57.31406  0    322.50817  0   144   3   2   -0.08380
 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       1.10873  1    117.20640  1    325.71814  1   146 145 144    0.10170
 C       1.55263  1    113.30438  1    106.58235  1   145 144   3   -0.16760
 C       1.48638  1    113.86218  1    182.67731  1   149 145 144   -0.07110
 C       1.40071  1    120.54368  1     68.67363  1   150 149 145   -0.12010
 C       1.39403  1    120.39050  1    179.10329  1   151 150 149   -0.12120
 C       1.39505  1    120.17957  1      0.12044  1   152 151 150   -0.14670
 C       1.39459  1    119.73162  1    359.33409  1   153 152 151   -0.13610
 C       1.39361  1    120.19478  1      0.37950  1   154 153 152   -0.13060
 H       1.09979  1    119.86298  1    180.29734  1   155 154 153    0.12090
 H       1.09909  1    119.91899  1    180.26860  1   154 153 152    0.11740
 H       1.10192  1    119.93310  1    179.61740  1   153 152 151    0.13750
 H       1.10223  1    119.59290  1    181.07234  1   152 151 150    0.14330
 H       1.10282  1    119.94110  1    358.91532  1   151 150 149    0.15190
 H       1.12585  1    107.89369  1    303.12734  1   149 145 144    0.10380
 H       1.12396  1    109.10046  1     59.02771  1   149 145 144    0.10320
 H       1.13621  1    106.18165  1    349.27990  1   145 144   3    0.12430
 H       1.00154  1     76.34956  1     87.99235  1   144   3   2    0.17470
 H       1.00183  1    168.60062  1    327.58996  1   144   3   2    0.15080
 N      10.94337  0    106.51163  0    240.89105  0     3   2   1   -0.33760
 C       1.46213  0     14.86456  0    265.09140  0   166   3   2   -0.08820
 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   -0.33250
 H       1.11459  1    113.73566  1    305.01788  1   168 167 166    0.09550
 C       1.54474  1    111.36982  1     11.67275  1   167 166   3   -0.12800
 C       1.46397  1    118.02408  1    174.44401  1   171 167 166   -0.18270
 C       1.39844  1    127.04313  1    282.66735  1   172 171 167   -0.08540
 N       1.39428  1    110.48547  1    189.23296  1   173 172 171   -0.19690
 C       1.40044  1    108.02162  1      3.30415  1   174 173 172   -0.01110
 C       1.44511  1    108.26288  1    356.50158  1   175 174 173   -0.08380
 C       1.39741  1    119.18090  1    179.98522  1   176 175 174   -0.10440
 C       1.38629  1    118.90696  1    359.21025  1   177 176 175   -0.13610
 C       1.40775  1    121.45649  1      0.20182  1   178 177 176   -0.10900
 C       1.38499  1    121.54974  1      0.54140  1   179 178 177   -0.13980
 H       1.10208  1    120.76709  1    181.01856  1   180 179 178    0.16000
 H       1.10562  1    119.97508  1    182.36267  1   179 178 177    0.15650
 H       1.10040  1    119.61458  1    181.67075  1   178 177 176    0.13260
 H       1.10009  1    120.25242  1    180.19135  1   177 176 175    0.13610
 H       0.99073  1    125.03678  1    164.00903  1   174 173 172    0.26330
 H       1.09163  1    129.04501  1      9.99926  1   173 172 171    0.14930
 H       1.12740  1    107.38508  1    296.83949  1   171 167 166    0.11010
 H       1.13001  1    107.85353  1     51.83152  1   171 167 166    0.09080
 H       1.12565  1    108.56203  1    250.51613  1   167 166   3    0.11540
 H       1.00287  1     99.59309  1    133.92159  1   166   3   2    0.16030
 H       1.00421  1    103.71097  1     21.82975  1   166   3   2    0.14730
 N      10.01719  0    101.54687  0    205.40459  0     3   2   1   -0.32890
 C       1.44716  0     60.44593  0    312.77637  0   192   3   2   -0.06350
 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   -0.38810
 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   -0.04390
 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   -0.31670
 H       1.10886  1    119.02939  1    356.37582  1   198 197 196    0.10500
 C       1.55385  1    111.15803  1    154.36922  1   197 196 194   -0.11280
 C       1.51212  1    111.39939  1    299.47866  1   201 197 196   -0.20990
 H       1.11724  1    111.51689  1     69.76074  1   202 201 197    0.08170
 H       1.11726  1    109.77088  1    189.44448  1   202 201 197    0.07440
 H       1.11679  1    110.58394  1    309.20276  1   202 201 197    0.08660
 C       1.51254  1    111.98334  1     64.41063  1   201 197 196   -0.21290
 H       1.11700  1    110.41336  1     49.90438  1   206 201 197    0.06900
 H       1.11729  1    109.79404  1    169.60055  1   206 201 197    0.07800
 H       1.11676  1    111.63478  1    289.05234  1   206 201 197    0.07820
 H       1.12930  1    105.74239  1    182.33425  1   201 197 196    0.10860
 H       1.14248  1    105.41872  1     39.02924  1   197 196 194    0.14120
 H       0.98832  1    122.48710  1      3.82513  1   196 194 193    0.24440
 C       1.54194  1    116.59748  1     34.32517  1   193 192   3   -0.19910
 C       1.52260  1    112.36190  1    269.22353  1   213 193 192   -0.10160
 C       1.51653  1    109.84934  1    168.99234  1   214 213 193   -0.23250
 H       1.12133  1    111.43094  1     72.91839  1   215 214 213    0.12200
 H       1.11760  1    110.07403  1    192.00610  1   215 214 213    0.08560
 H       1.11657  1    110.20430  1    311.49387  1   215 214 213    0.06810
 C       1.51484  1    112.23932  1    290.62916  1   214 213 193   -0.20910
 H       1.11585  1    111.58588  1     64.67170  1   219 214 213    0.05350
 H       1.11733  1    109.64911  1    184.73841  1   219 214 213    0.08420
 H       1.11720  1    110.41769  1    303.69198  1   219 214 213    0.08940
 H       1.12912  1    108.11512  1     50.84835  1   214 213 193    0.07940
 H       1.12316  1    109.74872  1     30.79872  1   213 193 192    0.09110
 H       1.12206  1    109.86325  1    148.54125  1   213 193 192    0.09420
 H       1.13990  1    105.10826  1    275.79415  1   193 192   3    0.13180
 H       1.00475  1     57.42156  1    169.37333  1   192   3   2    0.16090
 H       1.00468  1     96.47280  1     62.93359  1   192   3   2    0.14440
 N      11.18833  0    145.22708  0    179.37926  0     3   2   1   -0.32820
 C       1.47538  0     38.91567  0     92.42374  0   229   3   2   -0.11100
 C       1.53156  0    110.85889  0     76.62987  0   230 229   3    0.20640
 O       1.23608  0    120.93801  0    131.97322  0   231 230 229   -0.28240
 H       1.10919  1    116.56330  1    310.94164  1   231 230 229    0.09050
 C       1.54148  1    112.32298  1    314.65971  1   230 229   3   -0.14090
 C       1.48509  1    114.74099  1    191.49039  1   234 230 229   -0.10420
 C       1.39969  1    120.60481  1    253.89124  1   235 234 230   -0.11840
 C       1.39422  1    120.31203  1    184.78051  1   236 235 234   -0.11640
 C       1.39595  1    120.09929  1      0.00000  1   237 236 235   -0.11190
 C       1.39591  1    119.79215  1    359.14212  1   238 237 236   -0.15370
 C       1.39348  1    120.18331  1      0.78716  1   239 238 237   -0.12030
 H       1.09964  1    119.99578  1    179.57723  1   240 239 238    0.12120
 H       1.10126  1    119.65123  1    180.02135  1   239 238 237    0.13930
 H       1.10342  1    120.02194  1    179.07849  1   238 237 236    0.16810
 H       1.10198  1    120.18034  1    179.58325  1   237 236 235    0.16090
 H       1.10011  1    120.05783  1      4.00642  1   236 235 234    0.12690
 H       1.12665  1    107.43221  1    310.40142  1   234 230 229    0.08140
 H       1.12307  1    108.96999  1     66.34875  1   234 230 229    0.08540
 H       1.12933  1    107.63274  1    194.73734  1   230 229   3    0.13730
 H       1.00120  1    118.32605  1      7.17986  1   229   3   2    0.14400
 H       1.00163  1     71.10295  1    265.68872  1   229   3   2    0.13240
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32190
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11470
 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   -0.29890
 H       1.11127  1    116.74689  1    347.77237  1   253 252 251    0.07930
 C       1.53874  1    115.99075  1    338.62907  1   252 251   3   -0.10290
 C       1.46889  1    109.57331  1    290.60656  1   256 252 251   -0.16990
 C       1.39073  1    127.09795  1    110.66380  1   257 256 252   -0.06600
 N       1.40274  1    110.61967  1    184.17950  1   258 257 256   -0.20650
 C       1.40667  1    107.58352  1    355.72428  1   259 258 257   -0.02250
 C       1.44437  1    108.30250  1      3.90256  1   260 259 258   -0.07480
 C       1.39470  1    119.42821  1    177.95154  1   261 260 259   -0.09340
 C       1.38777  1    119.00957  1    359.54881  1   262 261 260   -0.14810
 C       1.40591  1    121.31088  1      0.02334  1   263 262 261   -0.10050
 C       1.38843  1    121.41684  1      0.45758  1   264 263 262   -0.16350
 H       1.09815  1    121.16146  1    179.57682  1   265 264 263    0.12990
 H       1.10408  1    118.55590  1    180.07940  1   264 263 262    0.15970
 H       1.10084  1    119.91265  1    179.29108  1   263 262 261    0.14500
 H       1.10011  1    120.11095  1    178.66962  1   262 261 260    0.13830
 H       0.98973  1    122.46701  1    204.08512  1   259 258 257    0.23730
 H       1.09438  1    129.20330  1      2.08471  1   258 257 256    0.16710
 H       1.12167  1    110.45297  1     52.78909  1   256 252 251    0.08230
 H       1.12475  1    108.57554  1    170.94870  1   256 252 251    0.11690
 H       1.14116  1    105.26593  1    221.92631  1   252 251   3    0.13290
 H       1.00456  1     89.57566  1    321.18533  1   251   3   2    0.16570
 H       1.00385  1     60.81457  1    210.96343  1   251   3   2    0.12950
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34470
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04130
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.32990
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41780
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.31040
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.03080
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19270
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.32600
 H       1.11014  1    116.78067  1    314.76090  1   283 282 281    0.09530
 C       1.54515  1    107.34143  1    183.51634  1   282 281 279   -0.15770
 C       1.52584  1    105.66748  1    350.80547  1   286 282 281   -0.16660
 C       1.53888  1    106.35960  1     13.41988  1   287 286 282   -0.05070
 H       1.12537  1    109.75909  1    105.75318  1   288 287 286    0.06970
 H       1.13293  1    110.97745  1    226.27245  1   288 287 286    0.19180
 H       1.11684  1    111.58274  1    134.19605  1   287 286 282    0.07740
 H       1.11979  1    110.85190  1    254.34143  1   287 286 282    0.11380
 H       1.11784  1    110.62417  1    110.82033  1   286 282 281    0.07210
 H       1.11727  1    109.85216  1    230.26396  1   286 282 281    0.10500
 H       1.13141  1    109.85479  1     63.24926  1   282 281 279    0.13270
 C       1.54677  1    114.97711  1    334.02201  1   278 277   3   -0.18950
 C       1.48951  1    110.93216  1    304.79230  1   296 278 277   -0.07640
 C       1.40067  1    120.62773  1    299.99454  1   297 296 278   -0.13870
 C       1.39355  1    120.30674  1    180.11453  1   298 297 296   -0.15120
 C       1.39448  1    120.10971  1      0.45080  1   299 298 297   -0.16070
 C       1.39443  1    119.81300  1      0.33194  1   300 299 298   -0.13020
 C       1.39509  1    120.41016  1    359.47811  1   301 300 299   -0.10180
 H       1.11391  1    120.07673  1    178.51480  1   302 301 300    0.21870
 H       1.09963  1    120.32126  1    178.61632  1   301 300 299    0.12860
 H       1.09844  1    119.98458  1    179.55044  1   300 299 298    0.10400
 H       1.09864  1    119.78440  1    179.64335  1   299 298 297    0.10760
 H       1.10033  1    119.81887  1    358.89223  1   298 297 296    0.13230
 H       1.12971  1    110.25676  1     66.43815  1   296 278 277    0.15990
 H       1.12153  1    108.54225  1    184.53782  1   296 278 277    0.11440
 H       1.14020  1    106.36250  1    216.08261  1   278 277   3    0.11860
 H       1.00404  1    101.11403  1    304.58309  1   277   3   2    0.15290
 H       1.00543  1     58.97403  1    200.39453  1   277   3   2    0.15560
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.34090
 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    115.04749  1    317.58051  1   315 314 313    0.08350
 C       1.54276  1    116.51892  1     25.80555  1   314 313   3   -0.13340
 C       1.51437  1    110.14997  1    189.11571  1   318 314 313   -0.21360
 H       1.11733  1    110.42936  1     67.17271  1   319 318 314    0.07330
 H       1.11772  1    109.96083  1    186.71819  1   319 318 314    0.08480
 H       1.11698  1    110.77871  1    307.05563  1   319 318 314    0.07560
 C       1.51518  1    111.09167  1    311.03814  1   318 314 313   -0.22700
 H       1.11968  1    111.01547  1     71.70875  1   323 318 314    0.08520
 H       1.11967  1    110.09827  1    191.02450  1   323 318 314    0.09970
 H       1.11749  1    110.78789  1    310.93412  1   323 318 314    0.07770
 H       1.12797  1    108.32513  1     69.83221  1   318 314 313    0.09980
 H       1.13063  1    106.29254  1    265.83140  1   314 313   3    0.12050
 H       1.00358  1     21.78741  1    348.32869  1   313   3   2    0.17300
 H       1.00154  1    100.14951  1    233.96191  1   313   3   2    0.14540
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.33810
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.08070
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.15900
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33790
 H       1.10993  1    115.29216  1    133.19490  1   333 332 331    0.12030
 C       1.52831  1    110.91088  1     57.62926  1   332 331   3   -0.21520
 C       1.51311  1    116.00752  1    186.26807  1   336 332 331    0.31250
 O       1.26677  1    122.58000  1     19.94080  1   337 336 332   -0.58990
 O       1.27258  1    116.60435  1    198.64117  1   337 336 332   -0.58940
 H       1.12435  1    108.70414  1    305.41546  1   336 332 331    0.11170
 H       1.12186  1    109.72972  1     63.47816  1   336 332 331    0.08420
 H       1.12962  1    108.24970  1    298.34427  1   332 331   3    0.14370
 H       1.00262  1     98.66978  1     59.65414  1   331   3   2    0.13540
 H       1.00253  1    145.52282  1    278.44384  1   331   3   2    0.12960
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36490
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02680
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.28150
 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   -0.36680
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04160
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19530
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29730
 H       1.10281  1    120.67201  1     53.65952  1   351 350 349    0.10920
 C       1.54811  1    110.12202  1    113.35357  1   350 349 347   -0.15780
 C       1.51947  1    113.89296  1    295.52341  1   354 350 349   -0.10830
 C       1.51686  1    109.42913  1    171.13965  1   355 354 350   -0.21040
 H       1.11629  1    110.62015  1     61.80316  1   356 355 354    0.05930
 H       1.11808  1    110.31274  1    181.82480  1   356 355 354    0.07130
 H       1.11730  1    110.43176  1    301.72992  1   356 355 354    0.08810
 C       1.51453  1    111.54582  1    293.30640  1   355 354 350   -0.21150
 H       1.11817  1    110.44300  1     67.12923  1   360 355 354    0.08670
 H       1.11827  1    110.43626  1    186.32475  1   360 355 354    0.06650
 H       1.11660  1    110.69443  1    306.43425  1   360 355 354    0.05000
 H       1.12779  1    109.49317  1     52.99612  1   355 354 350    0.09740
 H       1.12327  1    108.43489  1     58.75776  1   354 350 349    0.12590
 H       1.12188  1    108.60781  1    174.96921  1   354 350 349    0.08260
 H       1.14039  1    106.37704  1    357.70476  1   350 349 347    0.10600
 H       1.00322  1    121.44909  1    358.86788  1   349 347 346    0.28650
 C       1.53898  1    113.71669  1    354.31388  1   346 345   3   -0.17960
 C       1.52240  1    113.68833  1    301.93511  1   369 346 345   -0.09790
 C       1.51802  1    112.65876  1     85.45814  1   370 369 346   -0.21800
 H       1.11944  1    111.60188  1     27.82276  1   371 370 369    0.10920
 H       1.11853  1    110.36857  1    148.10010  1   371 370 369    0.06670
 H       1.11689  1    110.65142  1    267.42994  1   371 370 369    0.08430
 C       1.51641  1    109.39650  1    208.17989  1   370 369 346   -0.21120
 H       1.11792  1    110.31351  1     55.68309  1   375 370 369    0.05200
 H       1.11848  1    110.57836  1    175.62449  1   375 370 369    0.06830
 H       1.11723  1    110.37120  1    295.47562  1   375 370 369    0.09530
 H       1.12403  1    108.28695  1    326.33399  1   370 369 346    0.07380
 H       1.12373  1    110.30015  1     63.72736  1   369 346 345    0.10750
 H       1.12318  1    107.30619  1    180.17495  1   369 346 345    0.08340
 H       1.13134  1    106.76769  1    234.32059  1   346 345   3    0.10540
 H       1.00601  1     42.37907  1    159.54848  1   345   3   2    0.20040
 H       1.00071  1    135.22010  1     94.86207  1   345   3   2    0.13810
 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   -0.06180
 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   -0.35880
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.36380
 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    0.18260
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31710
 H       1.10942  1    115.94768  1     81.68205  1   391 390 389    0.10740
 C       1.53153  1    114.08766  1    146.40216  1   390 389 387   -0.13170
 C       1.48739  1    113.53258  1    304.13209  1   394 390 389   -0.09520
 C       1.40058  1    121.25278  1    308.09170  1   395 394 390   -0.12810
 C       1.39482  1    120.53417  1    180.65799  1   396 395 394   -0.10420
 C       1.39599  1    119.79535  1      0.52887  1   397 396 395   -0.11820
 C       1.39439  1    120.00293  1    359.85069  1   398 397 396   -0.15430
 C       1.39368  1    120.19144  1    359.83971  1   399 398 397   -0.14420
 H       1.09949  1    119.85665  1    180.74394  1   400 399 398    0.11640
 H       1.09971  1    120.01570  1    180.94659  1   399 398 397    0.11610
 H       1.10062  1    119.40869  1    181.00092  1   398 397 396    0.14280
 H       1.11105  1    120.35537  1    181.82887  1   397 396 395    0.20220
 H       1.10101  1    120.15234  1      1.63891  1   396 395 394    0.13910
 H       1.12378  1    109.08317  1     67.82341  1   394 390 389    0.09930
 H       1.12379  1    107.12167  1    183.47682  1   394 390 389    0.09430
 H       1.13495  1    107.55145  1     25.62864  1   390 389 387    0.13750
 H       0.99660  1    121.61033  1    346.42118  1   389 387 386    0.23490
 C       1.53804  1    112.46737  1    312.71660  1   386 385   3   -0.07730
 C       1.47323  1    108.58892  1    187.00199  1   410 386 385   -0.15340
 N       1.39819  1    123.94970  1     93.43841  1   411 410 386   -0.16180
 C       1.39362  1    106.61972  1    189.75449  1   412 411 410   -0.08500
 N       1.35577  1    111.71193  1    358.28995  1   413 412 411   -0.15230
 C       1.38613  1    105.75567  1      0.06423  1   414 413 412   -0.17860
 H       1.08879  1    121.90136  1    181.35650  1   415 414 413    0.15840
 H       1.09353  1    122.98924  1    181.12002  1   413 412 411    0.18540
 H       1.00040  1    124.44479  1    355.89733  1   412 411 410    0.30010
 H       1.12873  1    108.29930  1    307.10453  1   410 386 385    0.14710
 H       1.12061  1    110.70048  1     66.05944  1   410 386 385    0.07670
 H       1.13423  1    106.30728  1    194.97239  1   386 385   3    0.16610
 H       0.99898  1     71.02559  1    197.94168  1   385   3   2    0.14060
 H       0.99787  1    122.26146  1     95.54422  1   385   3   2    0.13870
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.43000
 H       0.96557  1     63.30795  1    306.49408  1   424   3   2    0.22050
 H       0.96321  1    165.27016  1    289.30110  1   424   3   2    0.20560

