


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.34590
 C       1.43541  0      0.00000  0      0.00000  0     1   0   0   -0.08970
 C       1.51361  0    105.85431  0      0.00000  0     2   1   0    0.17450
 O       1.21823  0    118.28448  0    316.65614  0     3   2   1   -0.28660
 H       1.10949  1    117.83348  1    136.47854  1     3   2   1    0.08170
 C       1.53905  1    108.76735  1     83.01270  1     2   3   4   -0.16290
 C       1.51140  1    112.84969  1     58.89812  1     6   2   3   -0.22130
 C       1.52820  1    113.67572  1     76.84623  1     7   6   2    0.32680
 O       1.26380  1    120.30065  1    297.41095  1     8   7   6   -0.56680
 O       1.27487  1    118.21325  1    118.37891  1     8   7   6   -0.63310
 H       1.12300  1    109.02345  1    197.66392  1     7   6   2    0.05780
 H       1.12079  1    110.36837  1    315.23658  1     7   6   2    0.06450
 H       1.12193  1    108.58142  1    180.03207  1     6   2   3    0.08240
 H       1.12445  1    108.77789  1    296.43561  1     6   2   3    0.07940
 H       1.13409  1    109.65563  1    199.30369  1     2   3   4    0.13890
 H       1.00431  1    109.69485  1    164.60019  1     1   2   3    0.13860
 H       1.01157  1    111.36015  1     46.93573  1     1   2   3    0.18550
 N       7.96014  0     75.09678  0    335.36568  0     3   2   1   -0.34640
 C       1.43306  0     42.93610  0    322.43062  0    18   3   2   -0.05220
 C       1.48866  0    114.42599  0    125.51033  0    19  18   3    0.33040
 O       1.22130  0    115.93694  0     35.03719  0    20  19  18   -0.44710
 N       1.33108  0    117.44794  0    215.43053  0    20  19  18   -0.36550
 C       1.45235  0    123.47707  0    179.52223  0    22  20  19   -0.02060
 C       1.53754  0    111.92080  0    301.14966  0    23  22  20    0.18280
 O       1.25976  0    125.74037  0    157.66496  0    24  23  22   -0.35410
 H       1.11399  1    115.30739  1    338.22149  1    24  23  22    0.09900
 C       1.54170  1    113.91736  1    178.21072  1    23  22  20   -0.07450
 C       1.46594  1    110.66021  1    268.02820  1    27  23  22   -0.20220
 C       1.39981  1    126.15727  1     82.99837  1    28  27  23   -0.01310
 N       1.39195  1    109.95580  1    181.27346  1    29  28  27   -0.20490
 C       1.39841  1    108.58065  1    358.82544  1    30  29  28   -0.01780
 C       1.44910  1    108.03756  1      1.40619  1    31  30  29   -0.06950
 C       1.39561  1    119.26787  1    178.60803  1    32  31  30   -0.10120
 C       1.38701  1    119.08083  1      0.23842  1    33  32  31   -0.17070
 C       1.40635  1    121.24084  1      0.62120  1    34  33  32   -0.14110
 C       1.38590  1    121.62078  1    359.62575  1    35  34  33   -0.12880
 H       1.10041  1    121.58249  1    177.96091  1    36  35  34    0.15170
 H       1.09944  1    119.11297  1    179.38874  1    35  34  33    0.11250
 H       1.09876  1    119.74685  1    180.35920  1    34  33  32    0.10430
 H       1.09922  1    119.80942  1    180.29631  1    33  32  31    0.12700
 H       0.98951  1    125.90712  1    185.91570  1    30  29  28    0.26300
 H       1.10413  1    128.04705  1    359.60146  1    29  28  27    0.22820
 H       1.12477  1    110.72787  1     30.36795  1    27  23  22    0.11490
 H       1.12407  1    108.26934  1    148.25170  1    27  23  22    0.08790
 H       1.13531  1    108.06749  1     57.48610  1    23  22  20    0.11730
 H       1.00794  1    122.30669  1    357.26888  1    22  20  19    0.29930
 C       1.53932  1    113.35414  1    349.76974  1    19  18   3   -0.21100
 C       1.53494  1    110.49278  1    207.15179  1    47  19  18    0.31020
 O       1.28217  1    119.60800  1    259.40128  1    48  47  19   -0.64670
 O       1.26115  1    120.83649  1     83.20793  1    48  47  19   -0.54050
 C       2.86584  0    106.54047  1    189.66937  1    50  48  47   -0.07850
 H       1.12263  1     59.23660  1    344.33474  1    51  50  48    0.17650
 H       1.11650  1     75.96701  1    221.48783  1    51  50  48    0.12280
Cl       1.79762  1    164.54992  1    320.32983  1    51  50  48   -0.26020
 C       1.50320  1     81.51534  1    106.05995  1    51  50  48   -0.18120
 H       1.13091  1    105.54024  1    356.21890  1    55  51  50    0.15700
 H       1.12149  1    110.93618  1    240.09762  1    55  51  50    0.07100
 C       1.51467  1    113.06870  1    116.24854  1    55  51  50   -0.16560
 H       1.12342  1    109.85286  1    329.00388  1    58  55  51    0.09010
 C       1.50677  1    111.58649  1    208.00149  1    58  55  51   -0.21540
 H       1.11797  1    110.47879  1    306.35742  1    60  58  55    0.06260
 H       1.11763  1    110.60699  1    186.02253  1    60  58  55    0.05910
 H       1.11851  1    110.75504  1     66.19792  1    60  58  55    0.09350
 H       1.12396  1    109.70047  1     86.24328  1    58  55  51    0.06040
 H       1.12024  1    109.58919  1    325.61904  1    47  19  18    0.12650
 H       1.11779  1    111.69312  1     84.56572  1    47  19  18    0.08470
 H       1.15765  1    108.23193  1    237.14055  1    19  18   3    0.07910
 H       1.00180  1    152.77175  1    331.00034  1    18   3   2    0.14760
 H       1.00251  1     87.30927  1    199.99812  1    18   3   2    0.16540
 N      11.18390  0     45.95169  0    335.35266  0     3   2   1   -0.33200
 C       1.48474  0    109.83433  0    318.64400  0    70   3   2   -0.09980
 C       1.54617  0    110.48582  0    112.74304  0    71  70   3    0.20260
 O       1.23698  0    121.33134  0    141.68350  0    72  71  70   -0.33160
 H       1.11010  1    116.36280  1    320.43816  1    72  71  70    0.10560
 C       1.52874  1    116.82590  1    349.60945  1    71  70   3   -0.15060
 C       1.48837  1    115.33542  1    285.66693  1    75  71  70   -0.06750
 C       1.39718  1    123.80659  1    351.36535  1    76  75  71   -0.12800
 C       1.39601  1    120.44375  1    181.77138  1    77  76  75   -0.13440
 C       1.39208  1    120.39848  1      0.26434  1    78  77  76   -0.13270
 C       1.39645  1    119.61104  1    359.49895  1    79  78  77   -0.12780
 C       1.39148  1    120.08708  1      0.19381  1    80  79  78   -0.12310
 H       1.10077  1    119.79589  1    181.22503  1    81  80  79    0.14550
 H       1.10197  1    119.99099  1    181.29079  1    80  79  78    0.13660
 H       1.10034  1    120.11207  1    180.42597  1    79  78  77    0.13240
 H       1.09969  1    119.66853  1    180.98471  1    78  77  76    0.12440
 H       1.09942  1    121.16869  1      2.94164  1    77  76  75    0.12890
 H       1.12577  1    109.36389  1     48.98236  1    75  71  70    0.11180
 H       1.12649  1    108.05743  1    165.15541  1    75  71  70    0.09460
 H       1.13017  1    106.43278  1    227.69174  1    71  70   3    0.11150
 H       1.00558  1     66.44061  1    216.20450  1    70   3   2    0.17630
 H       1.00446  1     43.65429  1     56.42793  1    70   3   2    0.15360
 N      16.98887  0     78.77108  0    276.65240  0     3   2   1   -0.33420
 C       1.47352  0     50.04108  0    198.47436  0    92   3   2   -0.08930
 C       1.54084  0    112.94709  0     70.56927  0    93  92   3    0.18010
 O       1.24033  0    121.30901  0    176.74567  0    94  93  92   -0.29760
 H       1.11134  1    117.41386  1    356.68990  1    94  93  92    0.09000
 C       1.54387  1    112.96527  1    309.06571  1    93  92   3   -0.14760
 C       1.48992  1    111.10919  1     54.65595  1    97  93  92   -0.06630
 C       1.40086  1    120.31591  1     84.53661  1    98  97  93   -0.13170
 C       1.39358  1    120.44439  1    180.42342  1    99  98  97   -0.12190
 C       1.39553  1    120.06817  1    359.84313  1   100  99  98   -0.13670
 C       1.39405  1    119.81250  1    359.73021  1   101 100  99   -0.12610
 C       1.39454  1    120.17540  1      0.29093  1   102 101 100   -0.14020
 H       1.09994  1    119.82448  1    182.06510  1   103 102 101    0.12210
 H       1.09934  1    119.92275  1    181.31866  1   102 101 100    0.12220
 H       1.09988  1    119.94047  1    180.81183  1   101 100  99    0.13260
 H       1.10172  1    120.00032  1    180.67799  1   100  99  98    0.14320
 H       1.10254  1    119.56573  1      1.32681  1    99  98  97    0.14190
 H       1.12425  1    109.29006  1    176.27695  1    97  93  92    0.13920
 H       1.12211  1    109.53553  1    292.85470  1    97  93  92    0.11080
 H       1.12749  1    106.89228  1    189.10559  1    93  92   3    0.13160
 H       1.00304  1     84.44712  1     77.49843  1    92   3   2    0.14810
 H       1.00261  1     78.38230  1    327.76408  1    92   3   2    0.13130
 N      17.89408  0     97.90475  0    267.28960  0     3   2   1   -0.29360
 C       1.43736  0    110.29372  0    222.59590  0   114   3   2   -0.11240
 C       1.49667  0    113.30282  0     44.24659  0   115 114   3    0.18330
 O       1.21152  0    117.76296  0    341.83825  0   116 115 114   -0.30600
 H       1.11003  1    117.53334  1    162.05446  1   116 115 114    0.11110
 C       1.55121  1    109.94564  1    279.56857  1   115 114   3   -0.17420
 C       1.52191  1    105.44256  1    359.64052  1   119 115 114   -0.17410
 C       1.53692  1    105.91726  1    355.80852  1   120 119 115   -0.08850
 H       1.12265  1    110.80315  1    130.63849  1   121 120 119    0.08490
 H       1.12445  1    110.15985  1    249.79103  1   121 120 119    0.07090
 H       1.11801  1    110.72383  1    115.97675  1   120 119 115    0.11020
 H       1.11635  1    111.12379  1    235.65080  1   120 119 115    0.07710
 H       1.12276  1    112.37666  1    121.17368  1   119 115 114    0.16090
 H       1.11671  1    109.68101  1    239.97640  1   119 115 114    0.08790
 H       1.13348  1    106.64329  1    162.36880  1   115 114   3    0.09280
 H       1.00614  1     33.79318  1    321.93601  1   114   3   2    0.16820
 N      17.12834  0    109.64320  0    254.84939  0     3   2   1   -0.35210
 C       1.45843  0     53.82819  0    185.26230  0   130   3   2   -0.06740
 C       1.54573  0    115.39702  0    325.30114  0   131 130   3    0.17720
 O       1.21650  0    121.78862  0    193.10814  0   132 131 130   -0.30530
 H       1.11461  1    116.17470  1     14.07119  1   132 131 130    0.07740
 C       1.53351  1    113.36172  1    196.42428  1   131 130   3   -0.22480
 C       1.53582  1    116.72330  1     35.15097  1   135 131 130    0.33320
 O       1.26960  1    120.10184  1     27.37806  1   136 135 131   -0.60960
 O       1.26452  1    117.17818  1    207.29292  1   136 135 131   -0.57940
 H       1.12002  1    108.95889  1    156.93591  1   135 131 130    0.10070
 H       1.12031  1    108.14757  1    273.92709  1   135 131 130    0.07220
 H       1.13592  1    105.58896  1     78.84094  1   131 130   3    0.07820
 H       1.00616  1    135.03124  1    101.99049  1   130   3   2    0.18230
 H       1.00375  1     56.54950  1     19.16063  1   130   3   2    0.11990
 N      12.50007  0     97.91996  0    261.63373  0     3   2   1   -0.34300
 C       1.44534  0     57.31406  0    322.50817  0   144   3   2   -0.08000
 C       1.53835  0    116.53274  0    230.26398  0   145 144   3    0.19480
 O       1.24316  0    120.46732  0    146.99107  0   146 145 144   -0.31200
 H       1.10877  1    117.22560  1    325.66278  1   146 145 144    0.10150
 C       1.55230  1    113.33743  1    106.39033  1   145 144   3   -0.16760
 C       1.48628  1    113.84449  1    182.79677  1   149 145 144   -0.06970
 C       1.40095  1    120.59826  1     69.93253  1   150 149 145   -0.12140
 C       1.39409  1    120.37658  1    179.19611  1   151 150 149   -0.12110
 C       1.39541  1    120.17221  1      0.05482  1   152 151 150   -0.14790
 C       1.39444  1    119.73500  1    359.20261  1   153 152 151   -0.13460
 C       1.39360  1    120.19756  1      0.61070  1   154 153 152   -0.13340
 H       1.09982  1    119.86812  1    180.12981  1   155 154 153    0.12260
 H       1.09911  1    119.92256  1    180.73777  1   154 153 152    0.11750
 H       1.10195  1    119.92074  1    179.55970  1   153 152 151    0.13780
 H       1.10236  1    119.63800  1    180.80539  1   152 151 150    0.14330
 H       1.10282  1    119.88783  1    358.96606  1   151 150 149    0.15170
 H       1.12584  1    107.85470  1    303.36518  1   149 145 144    0.10390
 H       1.12405  1    109.08142  1     59.32189  1   149 145 144    0.10280
 H       1.13617  1    106.17420  1    349.23878  1   145 144   3    0.12350
 H       1.00089  1     76.83757  1     88.73202  1   144   3   2    0.17790
 H       1.00125  1    168.83884  1    323.01290  1   144   3   2    0.15200
 N      10.94337  0    106.51163  0    240.89105  0     3   2   1   -0.33820
 C       1.46213  0     14.86456  0    265.09140  0   166   3   2   -0.08730
 C       1.54890  0    109.51012  0    131.27165  0   167 166   3    0.21210
 O       1.23101  0    125.00583  0    126.76891  0   168 167 166   -0.33240
 H       1.11466  1    113.74617  1    305.06780  1   168 167 166    0.09610
 C       1.54410  1    111.55097  1     11.21798  1   167 166   3   -0.12770
 C       1.46411  1    118.01875  1    174.10889  1   171 167 166   -0.18000
 C       1.39775  1    127.39685  1    285.89095  1   172 171 167   -0.08760
 N       1.39453  1    110.50290  1    188.94880  1   173 172 171   -0.20150
 C       1.40070  1    108.02125  1      3.04227  1   174 173 172   -0.01180
 C       1.44404  1    108.28044  1    356.69449  1   175 174 173   -0.08360
 C       1.39704  1    119.32602  1    180.40166  1   176 175 174   -0.10910
 C       1.38650  1    118.90025  1    359.01445  1   177 176 175   -0.13510
 C       1.40767  1    121.42071  1      0.33252  1   178 177 176   -0.10500
 C       1.38477  1    121.54050  1      0.52113  1   179 178 177   -0.14470
 H       1.10201  1    120.66056  1    180.83964  1   180 179 178    0.16000
 H       1.10604  1    120.00586  1    182.23900  1   179 178 177    0.15930
 H       1.10052  1    119.63677  1    181.77124  1   178 177 176    0.13530
 H       1.10006  1    120.30513  1    179.96741  1   177 176 175    0.13850
 H       0.99033  1    125.17834  1    165.38613  1   174 173 172    0.26320
 H       1.09175  1    129.04920  1      9.97419  1   173 172 171    0.14970
 H       1.12743  1    107.46204  1    296.39793  1   171 167 166    0.11030
 H       1.12998  1    107.98192  1     51.59423  1   171 167 166    0.09110
 H       1.12595  1    108.40387  1    250.25226  1   167 166   3    0.11480
 H       1.00283  1     99.56905  1    133.68712  1   166   3   2    0.16030
 H       1.00417  1    103.76355  1     21.58889  1   166   3   2    0.14810
 N      10.01719  0    101.54687  0    205.40459  0     3   2   1   -0.33020
 C       1.44716  0     60.44593  0    312.77637  0   192   3   2   -0.06220
 C       1.51484  0    114.54894  0    162.40538  0   193 192   3    0.32000
 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   -0.04500
 C       1.50738  0    120.92050  0    281.62350  0   197 196 194    0.19720
 O       1.23358  0    117.93172  0    174.66855  0   198 197 196   -0.31670
 H       1.10886  1    119.02331  1    356.29542  1   198 197 196    0.10470
 C       1.55389  1    111.17999  1    154.34341  1   197 196 194   -0.11230
 C       1.51225  1    111.40346  1    299.92853  1   201 197 196   -0.21010
 H       1.11727  1    111.54441  1     69.72035  1   202 201 197    0.08130
 H       1.11728  1    109.76673  1    189.40360  1   202 201 197    0.07480
 H       1.11675  1    110.58170  1    309.15798  1   202 201 197    0.08690
 C       1.51243  1    111.98688  1     64.85854  1   201 197 196   -0.21210
 H       1.11714  1    110.38472  1     50.36863  1   206 201 197    0.06900
 H       1.11723  1    109.81480  1    169.97971  1   206 201 197    0.07730
 H       1.11668  1    111.66677  1    289.46997  1   206 201 197    0.07820
 H       1.12925  1    105.71559  1    182.74694  1   201 197 196    0.10870
 H       1.14253  1    105.40137  1     39.02033  1   197 196 194    0.14120
 H       0.98829  1    122.49973  1      3.84872  1   196 194 193    0.24440
 C       1.54163  1    116.62808  1     34.33203  1   193 192   3   -0.19970
 C       1.52288  1    112.33968  1    268.55471  1   213 193 192   -0.10140
 C       1.51645  1    109.77657  1    169.23442  1   214 213 193   -0.23170
 H       1.12135  1    111.45216  1     73.63673  1   215 214 213    0.12220
 H       1.11752  1    110.15756  1    192.92858  1   215 214 213    0.08570
 H       1.11639  1    110.09776  1    312.37642  1   215 214 213    0.06650
 C       1.51502  1    112.21912  1    290.87622  1   214 213 193   -0.21200
 H       1.11585  1    111.61572  1     64.46957  1   219 214 213    0.05520
 H       1.11730  1    109.61274  1    184.52821  1   219 214 213    0.08480
 H       1.11727  1    110.35338  1    303.47755  1   219 214 213    0.08990
 H       1.12923  1    108.05688  1     51.09215  1   214 213 193    0.07950
 H       1.12334  1    109.72294  1     30.01635  1   213 193 192    0.09160
 H       1.12189  1    109.95572  1    147.77594  1   213 193 192    0.09430
 H       1.13994  1    105.08259  1    275.79323  1   193 192   3    0.13110
 H       1.00350  1     58.04638  1    170.18061  1   192   3   2    0.15990
 H       1.00428  1     95.92083  1     63.42272  1   192   3   2    0.14590
 N      11.18833  0    145.22708  0    179.37926  0     3   2   1   -0.32860
 C       1.47538  0     38.91567  0     92.42374  0   229   3   2   -0.11040
 C       1.53156  0    110.85889  0     76.62987  0   230 229   3    0.20810
 O       1.23608  0    120.93801  0    131.97322  0   231 230 229   -0.28260
 H       1.10918  1    116.56224  1    310.86295  1   231 230 229    0.09090
 C       1.54239  1    112.01540  1    314.21754  1   230 229   3   -0.13890
 C       1.48439  1    115.22660  1    185.76895  1   234 230 229   -0.10820
 C       1.40050  1    120.39235  1    259.37185  1   235 234 230   -0.11550
 C       1.39387  1    120.40802  1    185.14833  1   236 235 234   -0.12120
 C       1.39598  1    120.08758  1    359.84608  1   237 236 235   -0.10670
 C       1.39585  1    119.77147  1    359.40855  1   238 237 236   -0.15010
 C       1.39442  1    120.19440  1      0.61545  1   239 238 237   -0.12160
 H       1.09974  1    119.95525  1    179.49668  1   240 239 238    0.12130
 H       1.10164  1    119.58211  1    179.76696  1   239 238 237    0.14120
 H       1.10371  1    119.88542  1    179.25534  1   238 237 236    0.17120
 H       1.10173  1    120.18800  1    179.58032  1   237 236 235    0.15760
 H       1.10004  1    119.88603  1      4.20672  1   236 235 234    0.12250
 H       1.12556  1    107.95237  1    307.09852  1   234 230 229    0.08270
 H       1.12431  1    108.70538  1     62.70021  1   234 230 229    0.08100
 H       1.12886  1    107.77151  1    195.10608  1   230 229   3    0.13600
 H       1.00114  1    118.94731  1      8.12310  1   229   3   2    0.14380
 H       1.00151  1     71.08058  1    266.73807  1   229   3   2    0.13280
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32150
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11450
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19420
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.29850
 H       1.11131  1    116.75133  1    347.73114  1   253 252 251    0.07910
 C       1.53882  1    116.00329  1    338.65232  1   252 251   3   -0.10270
 C       1.46898  1    109.56732  1    290.29429  1   256 252 251   -0.17090
 C       1.39068  1    127.16956  1    110.35102  1   257 256 252   -0.06570
 N       1.40285  1    110.62985  1    184.25200  1   258 257 256   -0.20680
 C       1.40690  1    107.59053  1    355.82079  1   259 258 257   -0.02300
 C       1.44516  1    108.27697  1      3.91115  1   260 259 258   -0.07340
 C       1.39376  1    119.37183  1    178.20269  1   261 260 259   -0.09400
 C       1.38787  1    119.07246  1    359.48058  1   262 261 260   -0.14690
 C       1.40465  1    121.33906  1      0.00000  1   263 262 261   -0.10120
 C       1.38923  1    121.39311  1      0.50521  1   264 263 262   -0.16280
 H       1.09828  1    121.15160  1    179.65322  1   265 264 263    0.12970
 H       1.10420  1    118.65401  1    180.17323  1   264 263 262    0.16030
 H       1.10097  1    119.78075  1    179.21979  1   263 262 261    0.14470
 H       1.10031  1    120.09560  1    178.61328  1   262 261 260    0.13830
 H       0.98949  1    122.41452  1    204.26891  1   259 258 257    0.23630
 H       1.09453  1    129.25861  1      2.22417  1   258 257 256    0.16760
 H       1.12175  1    110.40392  1     52.46953  1   256 252 251    0.08230
 H       1.12458  1    108.55771  1    170.63445  1   256 252 251    0.11710
 H       1.14111  1    105.25754  1    221.94887  1   252 251   3    0.13310
 H       1.00471  1     88.90428  1    320.78244  1   251   3   2    0.16610
 H       1.00406  1     61.43722  1    210.30602  1   251   3   2    0.12880
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34390
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04490
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.33020
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41870
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.30910
 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    0.19300
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.32630
 H       1.11015  1    116.78268  1    314.80122  1   283 282 281    0.09550
 C       1.54586  1    107.17362  1    183.63583  1   282 281 279   -0.15800
 C       1.52519  1    105.63432  1    350.09797  1   286 282 281   -0.16570
 C       1.53896  1    106.32133  1     14.36520  1   287 286 282   -0.05120
 H       1.12525  1    109.93351  1    104.93976  1   288 287 286    0.07080
 H       1.13279  1    111.03936  1    225.55995  1   288 287 286    0.19170
 H       1.11694  1    111.57963  1    134.82472  1   287 286 282    0.07750
 H       1.11978  1    110.92811  1    255.27063  1   287 286 282    0.11320
 H       1.11769  1    110.57580  1    110.31192  1   286 282 281    0.07210
 H       1.11713  1    109.83076  1    229.59079  1   286 282 281    0.10500
 H       1.13126  1    109.91318  1     63.35167  1   282 281 279    0.13290
 C       1.54552  1    115.07130  1    333.17701  1   278 277   3   -0.18710
 C       1.48979  1    110.96176  1    305.60556  1   296 278 277   -0.07700
 C       1.40081  1    120.60878  1    299.44047  1   297 296 278   -0.13900
 C       1.39381  1    120.33841  1    179.96218  1   298 297 296   -0.15160
 C       1.39434  1    120.13473  1      0.41369  1   299 298 297   -0.15980
 C       1.39434  1    119.82980  1      0.49513  1   300 299 298   -0.13150
 C       1.39487  1    120.39329  1    359.23451  1   301 300 299   -0.10090
 H       1.11387  1    120.07053  1    178.85041  1   302 301 300    0.21890
 H       1.09963  1    120.31720  1    178.54835  1   301 300 299    0.12890
 H       1.09844  1    119.99635  1    179.64943  1   300 299 298    0.10400
 H       1.09858  1    119.80588  1    179.72853  1   299 298 297    0.10770
 H       1.10030  1    119.76110  1    358.71113  1   298 297 296    0.13180
 H       1.12961  1    110.27180  1     67.23862  1   296 278 277    0.16010
 H       1.12115  1    108.59562  1    185.47322  1   296 278 277    0.11340
 H       1.14084  1    106.27144  1    215.61898  1   278 277   3    0.11760
 H       1.00351  1    104.04433  1    306.02736  1   277   3   2    0.15200
 H       1.00482  1     57.46866  1    203.58997  1   277   3   2    0.15730
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.34000
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09600
 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   -0.31510
 H       1.11512  1    115.07692  1    317.53739  1   315 314 313    0.08340
 C       1.54238  1    116.49838  1     25.61629  1   314 313   3   -0.13290
 C       1.51430  1    110.17747  1    189.75914  1   318 314 313   -0.21360
 H       1.11744  1    110.39046  1     68.04177  1   319 318 314    0.07470
 H       1.11770  1    109.94759  1    187.45246  1   319 318 314    0.08360
 H       1.11690  1    110.81137  1    307.79551  1   319 318 314    0.07600
 C       1.51521  1    111.05501  1    311.60139  1   318 314 313   -0.22700
 H       1.11966  1    111.08840  1     71.56955  1   323 318 314    0.08560
 H       1.11950  1    110.05957  1    190.78050  1   323 318 314    0.09760
 H       1.11753  1    110.80462  1    310.70972  1   323 318 314    0.07880
 H       1.12801  1    108.36723  1     70.37662  1   318 314 313    0.09940
 H       1.13091  1    106.22750  1    265.72799  1   314 313   3    0.12090
 H       1.00351  1     21.35066  1    348.32671  1   313   3   2    0.17210
 H       1.00168  1    100.13395  1    233.84010  1   313   3   2    0.14610
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.33630
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.08100
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.16090
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33860
 H       1.10992  1    115.27626  1    133.19612  1   333 332 331    0.12120
 C       1.52847  1    110.97995  1     57.55008  1   332 331   3   -0.21510
 C       1.51359  1    116.09524  1    186.18801  1   336 332 331    0.31180
 O       1.26696  1    122.64625  1     19.91425  1   337 336 332   -0.58990
 O       1.27253  1    116.55853  1    198.60392  1   337 336 332   -0.58880
 H       1.12451  1    108.66347  1    305.29585  1   336 332 331    0.11080
 H       1.12179  1    109.70533  1     63.33095  1   336 332 331    0.08360
 H       1.12954  1    108.21911  1    298.33186  1   332 331   3    0.14330
 H       1.00224  1     97.21092  1     61.68001  1   331   3   2    0.13430
 H       1.00233  1    146.28535  1    283.81168  1   331   3   2    0.12870
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36460
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02600
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.28120
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.42320
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36690
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04190
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19520
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29680
 H       1.10283  1    120.66817  1     53.69450  1   351 350 349    0.10910
 C       1.54865  1    109.86554  1    113.42830  1   350 349 347   -0.15670
 C       1.52016  1    113.65207  1    296.40625  1   354 350 349   -0.10940
 C       1.51648  1    109.62600  1    170.36657  1   355 354 350   -0.20740
 H       1.11628  1    110.65035  1     62.96293  1   356 355 354    0.05970
 H       1.11822  1    110.20946  1    183.20555  1   356 355 354    0.06880
 H       1.11717  1    110.50325  1    302.85575  1   356 355 354    0.08740
 C       1.51420  1    111.50093  1    292.64462  1   355 354 350   -0.21140
 H       1.11816  1    110.42657  1     66.84645  1   360 355 354    0.08650
 H       1.11839  1    110.45709  1    186.01813  1   360 355 354    0.06680
 H       1.11665  1    110.69101  1    306.18473  1   360 355 354    0.05000
 H       1.12784  1    109.52514  1     52.38578  1   355 354 350    0.09690
 H       1.12357  1    108.36772  1     59.17926  1   354 350 349    0.12590
 H       1.12131  1    108.74891  1    175.81943  1   354 350 349    0.08230
 H       1.14021  1    106.41666  1    357.81174  1   350 349 347    0.10610
 H       1.00305  1    121.44028  1    358.83248  1   349 347 346    0.28630
 C       1.54012  1    113.75441  1    355.19908  1   346 345   3   -0.18200
 C       1.52050  1    113.86512  1    299.00574  1   369 346 345   -0.09600
 C       1.51746  1    112.55372  1     83.72507  1   370 369 346   -0.21910
 H       1.11959  1    111.51889  1     28.98125  1   371 370 369    0.11080
 H       1.11849  1    110.32207  1    149.29030  1   371 370 369    0.06630
 H       1.11696  1    110.62882  1    268.59011  1   371 370 369    0.08380
 C       1.51715  1    109.31255  1    206.45890  1   370 369 346   -0.21080
 H       1.11809  1    110.15957  1     56.61378  1   375 370 369    0.05070
 H       1.11845  1    110.55807  1    176.80175  1   375 370 369    0.06870
 H       1.11684  1    110.60925  1    296.72226  1   375 370 369    0.09670
 H       1.12295  1    108.24048  1    324.15447  1   370 369 346    0.06980
 H       1.12452  1    110.40615  1     60.81115  1   369 346 345    0.10950
 H       1.12285  1    107.42713  1    177.11112  1   369 346 345    0.08380
 H       1.13074  1    106.93010  1    234.64389  1   346 345   3    0.10640
 H       1.00613  1     42.27618  1    160.21302  1   345   3   2    0.20040
 H       1.00077  1    134.81667  1     94.94166  1   345   3   2    0.13820
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34760
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.06190
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27440
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.35810
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.36360
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04740
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.18280
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31740
 H       1.10941  1    115.94288  1     81.63083  1   391 390 389    0.10730
 C       1.53098  1    114.09479  1    146.23802  1   390 389 387   -0.13010
 C       1.48693  1    113.50526  1    304.49476  1   394 390 389   -0.09380
 C       1.40056  1    121.06053  1    308.37515  1   395 394 390   -0.12870
 C       1.39493  1    120.51456  1    180.31508  1   396 395 394   -0.10360
 C       1.39582  1    119.79441  1      0.75185  1   397 396 395   -0.11860
 C       1.39556  1    119.98939  1      0.10154  1   398 397 396   -0.15290
 C       1.39342  1    120.18214  1    359.61132  1   399 398 397   -0.14860
 H       1.09948  1    119.86748  1    181.06818  1   400 399 398    0.11730
 H       1.09952  1    119.98805  1    180.81491  1   399 398 397    0.11590
 H       1.10031  1    119.57588  1    181.00592  1   398 397 396    0.14200
 H       1.11127  1    120.38247  1    181.83264  1   397 396 395    0.20350
 H       1.10100  1    120.16805  1      1.37752  1   396 395 394    0.13920
 H       1.12376  1    109.07789  1     68.26309  1   394 390 389    0.09880
 H       1.12399  1    107.06492  1    183.84092  1   394 390 389    0.09380
 H       1.13526  1    107.48838  1     25.47467  1   390 389 387    0.13750
 H       0.99663  1    121.59203  1    346.30459  1   389 387 386    0.23490
 C       1.53773  1    112.76567  1    312.67846  1   386 385   3   -0.07640
 C       1.47334  1    108.13704  1    186.50398  1   410 386 385   -0.15720
 N       1.39714  1    123.94624  1     93.49256  1   411 410 386   -0.16150
 C       1.39315  1    106.45461  1    191.13469  1   412 411 410   -0.08210
 N       1.35579  1    111.81410  1    358.07578  1   413 412 411   -0.15180
 C       1.38588  1    105.60356  1      0.09338  1   414 413 412   -0.17410
 H       1.08878  1    121.82043  1    181.40655  1   415 414 413    0.15690
 H       1.09342  1    122.94958  1    181.29563  1   413 412 411    0.18390
 H       1.00024  1    124.36558  1    356.25474  1   412 411 410    0.29930
 H       1.12884  1    108.31204  1    306.62296  1   410 386 385    0.14700
 H       1.12006  1    110.86793  1     65.60180  1   410 386 385    0.07650
 H       1.13426  1    106.22772  1    194.92467  1   386 385   3    0.16550
 H       0.99868  1     71.01517  1    197.16836  1   385   3   2    0.14070
 H       0.99765  1    122.74863  1     94.74815  1   385   3   2    0.13900
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.43270
 H       0.96518  1     65.04356  1    303.46248  1   424   3   2    0.22060
 H       0.96337  1    167.76962  1    303.39791  1   424   3   2    0.20830

