
 -992.131117 

 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.34780
 C       1.43541  0      0.00000  0      0.00000  0     1   0   0   -0.08800
 C       1.51361  0    105.85431  0      0.00000  0     2   1   0    0.17510
 O       1.21823  0    118.28448  0    316.65614  0     3   2   1   -0.28850
 H       1.10950  1    117.84066  1    136.53731  1     3   2   1    0.08210
 C       1.53928  1    108.81919  1     83.06003  1     2   3   4   -0.16350
 C       1.51108  1    112.98120  1     58.27049  1     6   2   3   -0.22090
 C       1.52843  1    113.69842  1     76.58265  1     7   6   2    0.32720
 O       1.26386  1    120.29145  1    296.79149  1     8   7   6   -0.56850
 O       1.27492  1    118.21309  1    117.70093  1     8   7   6   -0.63320
 H       1.12293  1    109.01466  1    197.30547  1     7   6   2    0.05790
 H       1.12094  1    110.33446  1    314.87973  1     7   6   2    0.06430
 H       1.12174  1    108.58388  1    179.67114  1     6   2   3    0.08300
 H       1.12486  1    108.84465  1    295.87959  1     6   2   3    0.08100
 H       1.13393  1    109.61098  1    199.38091  1     2   3   4    0.13760
 H       1.00435  1    109.68865  1    164.09286  1     1   2   3    0.13980
 H       1.01117  1    111.43529  1     46.26264  1     1   2   3    0.18620
 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   -0.05470
 C       1.48866  0    114.42599  0    125.51033  0    19  18   3    0.33140
 O       1.22130  0    115.93694  0     35.03719  0    20  19  18   -0.44820
 N       1.33108  0    117.44794  0    215.43053  0    20  19  18   -0.36540
 C       1.45235  0    123.47707  0    179.52223  0    22  20  19   -0.02080
 C       1.53754  0    111.92080  0    301.14966  0    23  22  20    0.18310
 O       1.25976  0    125.74037  0    157.66496  0    24  23  22   -0.35470
 H       1.11398  1    115.30156  1    338.17735  1    24  23  22    0.09880
 C       1.54165  1    113.70512  1    178.15350  1    23  22  20   -0.07450
 C       1.46550  1    110.55899  1    268.29097  1    27  23  22   -0.20250
 C       1.39899  1    126.18062  1     82.37215  1    28  27  23   -0.01060
 N       1.39282  1    109.89283  1    181.21338  1    29  28  27   -0.20980
 C       1.39965  1    108.55746  1    358.78968  1    30  29  28   -0.01520
 C       1.44956  1    108.01882  1      1.52685  1    31  30  29   -0.06790
 C       1.39554  1    119.26270  1    178.88408  1    32  31  30   -0.10160
 C       1.38678  1    119.08604  1      0.09116  1    33  32  31   -0.17040
 C       1.40592  1    121.25301  1      0.46095  1    34  33  32   -0.14360
 C       1.38656  1    121.61171  1    359.52242  1    35  34  33   -0.12750
 H       1.10019  1    121.52581  1    177.85453  1    36  35  34    0.15110
 H       1.09939  1    119.18796  1    179.48007  1    35  34  33    0.11260
 H       1.09877  1    119.73996  1    180.32238  1    34  33  32    0.10380
 H       1.09909  1    119.85018  1    180.23748  1    33  32  31    0.12640
 H       0.98921  1    125.93013  1    183.17639  1    30  29  28    0.26360
 H       1.10450  1    128.22237  1    359.68608  1    29  28  27    0.22980
 H       1.12472  1    110.75989  1     30.73760  1    27  23  22    0.11530
 H       1.12405  1    108.21944  1    148.55928  1    27  23  22    0.08750
 H       1.13481  1    108.15820  1     57.58633  1    23  22  20    0.11770
 H       1.00786  1    122.31224  1    357.76533  1    22  20  19    0.29940
 C       1.53877  1    113.70092  1    349.07257  1    19  18   3   -0.20900
 C       1.53272  1    110.52943  1    206.39505  1    47  19  18    0.30790
 O       1.28296  1    118.93582  1    257.11733  1    48  47  19   -0.64760
 O       1.26163  1    122.01790  1     79.71682  1    48  47  19   -0.53920
 C       2.66584  0    111.89253  1    190.88804  1    50  48  47   -0.06530
 H       1.12149  1     57.75503  1    349.32143  1    51  50  48    0.18050
 H       1.11489  1     75.67501  1    224.29800  1    51  50  48    0.12380
Cl       1.80483  1    161.07851  1    320.68785  1    51  50  48   -0.27610
 C       1.50290  1     85.44573  1    109.65518  1    51  50  48   -0.17920
 H       1.12980  1    105.65453  1    358.65321  1    55  51  50    0.14950
 H       1.12135  1    110.71015  1    242.26809  1    55  51  50    0.07350
 C       1.51446  1    112.84393  1    118.65797  1    55  51  50   -0.16690
 H       1.12391  1    109.72640  1    327.39443  1    58  55  51    0.08930
 C       1.50605  1    111.67590  1    206.45619  1    58  55  51   -0.21380
 H       1.11739  1    110.59846  1    304.91307  1    60  58  55    0.06110
 H       1.11810  1    110.52763  1    184.52835  1    60  58  55    0.05940
 H       1.11855  1    110.63317  1     64.92383  1    60  58  55    0.09060
 H       1.12348  1    109.65558  1     84.25258  1    58  55  51    0.06290
 H       1.12064  1    109.45646  1    324.87749  1    47  19  18    0.12730
 H       1.11790  1    111.70013  1     84.19784  1    47  19  18    0.08680
 H       1.15888  1    108.06071  1    236.65864  1    19  18   3    0.07970
 H       1.00186  1    152.70992  1    331.86785  1    18   3   2    0.14810
 H       1.00244  1     87.58151  1    200.34976  1    18   3   2    0.16470
 N      11.18390  0     45.95169  0    335.35266  0     3   2   1   -0.33460
 C       1.48474  0    109.83433  0    318.64400  0    70   3   2   -0.09910
 C       1.54617  0    110.48582  0    112.74304  0    71  70   3    0.20310
 O       1.23698  0    121.33134  0    141.68350  0    72  71  70   -0.33040
 H       1.11013  1    116.36152  1    320.44205  1    72  71  70    0.10570
 C       1.52974  1    116.74259  1    349.14054  1    71  70   3   -0.15210
 C       1.48845  1    115.85775  1    283.94467  1    75  71  70   -0.05970
 C       1.39628  1    124.01655  1      0.87350  1    76  75  71   -0.13390
 C       1.39623  1    120.40898  1    180.91937  1    77  76  75   -0.12980
 C       1.39214  1    120.38646  1    359.58882  1    78  77  76   -0.13100
 C       1.39661  1    119.60214  1    359.27108  1    79  78  77   -0.13060
 C       1.39123  1    120.11608  1      0.77317  1    80  79  78   -0.12980
 H       1.10112  1    119.85444  1    181.16991  1    81  80  79    0.14360
 H       1.10125  1    120.05506  1    181.93651  1    80  79  78    0.13490
 H       1.10007  1    120.29702  1    180.43798  1    79  78  77    0.13160
 H       1.09985  1    119.70148  1    180.48291  1    78  77  76    0.12630
 H       1.09930  1    121.38602  1      0.61949  1    77  76  75    0.13360
 H       1.12521  1    109.52441  1     48.03178  1    75  71  70    0.11310
 H       1.12682  1    107.65457  1    163.69284  1    75  71  70    0.09320
 H       1.13080  1    106.11171  1    228.06978  1    71  70   3    0.11240
 H       1.00500  1     63.84566  1    216.38342  1    70   3   2    0.17760
 H       1.00449  1     46.20184  1     57.00372  1    70   3   2    0.15220
 N      16.98887  0     78.77108  0    276.65240  0     3   2   1   -0.33270
 C       1.47352  0     50.04108  0    198.47436  0    92   3   2   -0.09500
 C       1.54084  0    112.94709  0     70.56927  0    93  92   3    0.18360
 O       1.24033  0    121.30901  0    176.74567  0    94  93  92   -0.29800
 H       1.11108  1    117.33933  1    356.69458  1    94  93  92    0.09090
 C       1.54470  1    112.72945  1    309.33385  1    93  92   3   -0.14860
 C       1.49023  1    110.79403  1     52.94000  1    97  93  92   -0.06510
 C       1.40087  1    120.39020  1     83.44306  1    98  97  93   -0.13520
 C       1.39325  1    120.44606  1    181.35533  1    99  98  97   -0.11470
 C       1.39560  1    120.08137  1    359.75950  1   100  99  98   -0.14430
 C       1.39430  1    119.82063  1    359.73394  1   101 100  99   -0.12310
 C       1.39415  1    120.18109  1      0.33972  1   102 101 100   -0.14250
 H       1.10001  1    119.85525  1    181.85196  1   103 102 101    0.12290
 H       1.09930  1    119.90926  1    181.29065  1   102 101 100    0.12170
 H       1.09994  1    119.93151  1    180.88115  1   101 100  99    0.13490
 H       1.10187  1    120.00941  1    180.55586  1   100  99  98    0.14110
 H       1.10254  1    119.49010  1      1.86306  1    99  98  97    0.14150
 H       1.12403  1    109.46520  1    174.56493  1    97  93  92    0.14010
 H       1.12169  1    109.51392  1    291.62112  1    97  93  92    0.11050
 H       1.12754  1    106.93723  1    189.16117  1    93  92   3    0.13320
 H       1.00347  1     87.26145  1     80.65809  1    92   3   2    0.14780
 H       1.00288  1     75.65736  1    331.17913  1    92   3   2    0.13200
 N      17.89408  0     97.90475  0    267.28960  0     3   2   1   -0.29270
 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   -0.30590
 H       1.11002  1    117.51920  1    162.01750  1   116 115 114    0.11110
 C       1.55121  1    110.01482  1    279.57319  1   115 114   3   -0.17400
 C       1.52270  1    105.36034  1    359.47744  1   119 115 114   -0.17360
 C       1.53703  1    105.90432  1    355.86618  1   120 119 115   -0.09080
 H       1.12272  1    110.78414  1    130.88225  1   121 120 119    0.08560
 H       1.12451  1    110.16889  1    249.95334  1   121 120 119    0.07110
 H       1.11807  1    110.68869  1    115.89158  1   120 119 115    0.10970
 H       1.11622  1    111.16268  1    235.61487  1   120 119 115    0.07730
 H       1.12265  1    112.39919  1    120.92988  1   119 115 114    0.16070
 H       1.11667  1    109.70256  1    239.82416  1   119 115 114    0.08830
 H       1.13356  1    106.62939  1    162.32105  1   115 114   3    0.09280
 H       1.00618  1     33.64229  1    321.86443  1   114   3   2    0.16840
 N      17.12834  0    109.64320  0    254.84939  0     3   2   1   -0.35290
 C       1.45843  0     53.82819  0    185.26230  0   130   3   2   -0.06730
 C       1.54573  0    115.39702  0    325.30114  0   131 130   3    0.17920
 O       1.21650  0    121.78862  0    193.10814  0   132 131 130   -0.30830
 H       1.11462  1    116.18245  1     14.07097  1   132 131 130    0.07760
 C       1.53349  1    113.42353  1    196.45718  1   131 130   3   -0.22530
 C       1.53566  1    116.89208  1     34.80447  1   135 131 130    0.33330
 O       1.26982  1    120.24061  1     26.93404  1   136 135 131   -0.60990
 O       1.26464  1    117.10113  1    206.70542  1   136 135 131   -0.57950
 H       1.12013  1    108.94608  1    156.54282  1   135 131 130    0.10110
 H       1.12046  1    108.12162  1    273.50684  1   135 131 130    0.07270
 H       1.13615  1    105.56847  1     78.80992  1   131 130   3    0.07860
 H       1.00614  1    135.09614  1    101.88354  1   130   3   2    0.18300
 H       1.00370  1     56.52988  1     18.98362  1   130   3   2    0.12000
 N      12.50007  0     97.91996  0    261.63373  0     3   2   1   -0.33660
 C       1.44534  0     57.31406  0    322.50817  0   144   3   2   -0.08370
 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   -0.31220
 H       1.10873  1    117.20935  1    325.61686  1   146 145 144    0.10160
 C       1.55231  1    113.34503  1    106.54833  1   145 144   3   -0.16730
 C       1.48638  1    113.85385  1    182.68317  1   149 145 144   -0.07090
 C       1.40067  1    120.54549  1     68.62690  1   150 149 145   -0.12020
 C       1.39407  1    120.39221  1    179.10752  1   151 150 149   -0.12100
 C       1.39509  1    120.18193  1      0.10746  1   152 151 150   -0.14710
 C       1.39462  1    119.73566  1    359.34126  1   153 152 151   -0.13640
 C       1.39357  1    120.19831  1      0.40929  1   154 153 152   -0.13040
 H       1.09980  1    119.86342  1    180.25971  1   155 154 153    0.12090
 H       1.09910  1    119.91885  1    180.33512  1   154 153 152    0.11760
 H       1.10194  1    119.93401  1    179.60593  1   153 152 151    0.13760
 H       1.10225  1    119.61048  1    180.95227  1   152 151 150    0.14310
 H       1.10282  1    119.93337  1    358.89975  1   151 150 149    0.15190
 H       1.12587  1    107.87020  1    303.14021  1   149 145 144    0.10390
 H       1.12392  1    109.09894  1     59.03682  1   149 145 144    0.10300
 H       1.13629  1    106.14508  1    349.12261  1   145 144   3    0.12420
 H       1.00157  1     76.47631  1     87.95536  1   144   3   2    0.17490
 H       1.00172  1    168.62617  1    326.85575  1   144   3   2    0.15060
 N      10.94337  0    106.51163  0    240.89105  0     3   2   1   -0.33740
 C       1.46213  0     14.86456  0    265.09140  0   166   3   2   -0.08770
 C       1.54890  0    109.51012  0    131.27165  0   167 166   3    0.21200
 O       1.23101  0    125.00583  0    126.76891  0   168 167 166   -0.33200
 H       1.11462  1    113.74210  1    305.03307  1   168 167 166    0.09590
 C       1.54478  1    111.50400  1     11.34237  1   167 166   3   -0.12740
 C       1.46416  1    118.03966  1    174.53038  1   171 167 166   -0.18160
 C       1.39797  1    127.55624  1    284.62059  1   172 171 167   -0.08570
 N       1.39483  1    110.50847  1    188.98752  1   173 172 171   -0.19940
 C       1.40008  1    108.04352  1      3.16541  1   174 173 172   -0.01120
 C       1.44422  1    108.28074  1    356.66841  1   175 174 173   -0.08400
 C       1.39732  1    119.18067  1    180.18809  1   176 175 174   -0.10870
 C       1.38630  1    118.90828  1    359.19258  1   177 176 175   -0.13550
 C       1.40810  1    121.46090  1      0.25758  1   178 177 176   -0.10760
 C       1.38513  1    121.56015  1      0.49782  1   179 178 177   -0.14000
 H       1.10213  1    120.77975  1    180.88251  1   180 179 178    0.16030
 H       1.10582  1    119.95901  1    182.27765  1   179 178 177    0.15670
 H       1.10050  1    119.61171  1    181.70062  1   178 177 176    0.13440
 H       1.10005  1    120.26988  1    180.11357  1   177 176 175    0.13770
 H       0.99057  1    124.97292  1    163.93494  1   174 173 172    0.26300
 H       1.09164  1    129.06418  1     10.03548  1   173 172 171    0.14950
 H       1.12723  1    107.43624  1    296.75651  1   171 167 166    0.11010
 H       1.12992  1    108.00364  1     51.77462  1   171 167 166    0.09090
 H       1.12585  1    108.45146  1    250.35053  1   167 166   3    0.11510
 H       1.00286  1     99.59758  1    133.88790  1   166   3   2    0.16020
 H       1.00417  1    103.72061  1     21.79801  1   166   3   2    0.14720
 N      10.01719  0    101.54687  0    205.40459  0     3   2   1   -0.32850
 C       1.44716  0     60.44593  0    312.77637  0   192   3   2   -0.06320
 C       1.51484  0    114.54894  0    162.40538  0   193 192   3    0.31970
 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   -0.04440
 C       1.50738  0    120.92050  0    281.62350  0   197 196 194    0.19660
 O       1.23358  0    117.93172  0    174.66855  0   198 197 196   -0.31680
 H       1.10885  1    119.02381  1    356.41255  1   198 197 196    0.10500
 C       1.55398  1    111.15840  1    154.36917  1   197 196 194   -0.11110
 C       1.51208  1    111.38639  1    299.58361  1   201 197 196   -0.21040
 H       1.11727  1    111.52332  1     69.75817  1   202 201 197    0.08140
 H       1.11726  1    109.78408  1    189.43422  1   202 201 197    0.07450
 H       1.11680  1    110.58774  1    309.20897  1   202 201 197    0.08690
 C       1.51246  1    111.99353  1     64.48435  1   201 197 196   -0.21340
 H       1.11710  1    110.40698  1     50.06732  1   206 201 197    0.06900
 H       1.11726  1    109.80040  1    169.61695  1   206 201 197    0.07800
 H       1.11669  1    111.67297  1    289.15949  1   206 201 197    0.07830
 H       1.12930  1    105.72615  1    182.36624  1   201 197 196    0.10830
 H       1.14247  1    105.42104  1     39.04264  1   197 196 194    0.14120
 H       0.98831  1    122.48931  1      3.78682  1   196 194 193    0.24440
 C       1.54144  1    116.71981  1     34.29173  1   193 192   3   -0.19920
 C       1.52267  1    112.35398  1    269.22608  1   213 193 192   -0.10170
 C       1.51634  1    109.75644  1    169.14009  1   214 213 193   -0.23240
 H       1.12144  1    111.42686  1     73.06413  1   215 214 213    0.12240
 H       1.11756  1    110.17767  1    192.27345  1   215 214 213    0.08560
 H       1.11643  1    110.13976  1    311.72391  1   215 214 213    0.06700
 C       1.51503  1    112.23430  1    290.72534  1   214 213 193   -0.20900
 H       1.11585  1    111.60080  1     64.67473  1   219 214 213    0.05370
 H       1.11736  1    109.61883  1    184.69349  1   219 214 213    0.08420
 H       1.11718  1    110.41807  1    303.64721  1   219 214 213    0.08930
 H       1.12903  1    108.16147  1     50.95429  1   214 213 193    0.07970
 H       1.12309  1    109.77555  1     30.78424  1   213 193 192    0.09100
 H       1.12222  1    109.85714  1    148.54411  1   213 193 192    0.09440
 H       1.13997  1    105.08402  1    275.74707  1   193 192   3    0.13130
 H       1.00467  1     57.45266  1    169.53550  1   192   3   2    0.16050
 H       1.00474  1     96.37883  1     63.04610  1   192   3   2    0.14460
 N      11.18833  0    145.22708  0    179.37926  0     3   2   1   -0.32920
 C       1.47538  0     38.91567  0     92.42374  0   229   3   2   -0.10970
 C       1.53156  0    110.85889  0     76.62987  0   230 229   3    0.20690
 O       1.23608  0    120.93801  0    131.97322  0   231 230 229   -0.28240
 H       1.10922  1    116.57116  1    310.91759  1   231 230 229    0.09060
 C       1.54124  1    112.12060  1    314.62605  1   230 229   3   -0.14160
 C       1.48517  1    115.02053  1    188.83181  1   234 230 229   -0.10510
 C       1.39974  1    120.51958  1    254.98178  1   235 234 230   -0.11950
 C       1.39406  1    120.30782  1    185.00697  1   236 235 234   -0.11720
 C       1.39596  1    120.09462  1    359.96476  1   237 236 235   -0.10960
 C       1.39591  1    119.78839  1    359.07182  1   238 237 236   -0.15070
 C       1.39314  1    120.18354  1      0.83720  1   239 238 237   -0.12140
 H       1.09970  1    120.00121  1    179.52740  1   240 239 238    0.12170
 H       1.10145  1    119.61151  1    179.96026  1   239 238 237    0.13890
 H       1.10345  1    119.90859  1    179.07897  1   238 237 236    0.16880
 H       1.10186  1    120.18160  1    179.52555  1   237 236 235    0.15920
 H       1.10012  1    120.06130  1      3.98737  1   236 235 234    0.12590
 H       1.12637  1    107.97177  1    309.10411  1   234 230 229    0.08320
 H       1.12357  1    108.80302  1     64.99572  1   234 230 229    0.08330
 H       1.12918  1    107.65570  1    194.70594  1   230 229   3    0.13680
 H       1.00115  1    118.45710  1      7.31464  1   229   3   2    0.14410
 H       1.00157  1     71.13601  1    265.78387  1   229   3   2    0.13270
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32160
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11510
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19450
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.29890
 H       1.11127  1    116.74835  1    347.80373  1   253 252 251    0.07930
 C       1.53876  1    116.03175  1    338.56023  1   252 251   3   -0.10300
 C       1.46874  1    109.58715  1    290.53802  1   256 252 251   -0.16930
 C       1.39051  1    127.17671  1    110.62934  1   257 256 252   -0.06570
 N       1.40279  1    110.62519  1    184.19856  1   258 257 256   -0.20650
 C       1.40659  1    107.58705  1    355.72801  1   259 258 257   -0.02220
 C       1.44402  1    108.29268  1      3.86181  1   260 259 258   -0.07470
 C       1.39504  1    119.38635  1    177.97536  1   261 260 259   -0.09360
 C       1.38794  1    119.02562  1    359.54139  1   262 261 260   -0.14830
 C       1.40626  1    121.31755  1      0.02980  1   263 262 261   -0.10060
 C       1.38880  1    121.37731  1      0.47495  1   264 263 262   -0.16360
 H       1.09829  1    121.12270  1    179.56977  1   265 264 263    0.12990
 H       1.10399  1    118.48501  1    180.03459  1   264 263 262    0.16030
 H       1.10083  1    119.89573  1    179.29034  1   263 262 261    0.14490
 H       1.10002  1    120.08426  1    178.65400  1   262 261 260    0.13830
 H       0.98952  1    122.47809  1    204.14399  1   259 258 257    0.23640
 H       1.09441  1    129.20739  1      2.15403  1   258 257 256    0.16730
 H       1.12162  1    110.45375  1     52.80770  1   256 252 251    0.08260
 H       1.12476  1    108.50980  1    170.98248  1   256 252 251    0.11700
 H       1.14124  1    105.23939  1    221.91530  1   252 251   3    0.13290
 H       1.00451  1     89.47200  1    321.11115  1   251   3   2    0.16570
 H       1.00398  1     60.83992  1    210.85602  1   251   3   2    0.12930
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34500
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04100
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.32970
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41790
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.31050
 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    0.19280
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.32610
 H       1.11014  1    116.77573  1    314.75867  1   283 282 281    0.09540
 C       1.54543  1    107.27293  1    183.57539  1   282 281 279   -0.15790
 C       1.52571  1    105.66585  1    350.50518  1   286 282 281   -0.16640
 C       1.53850  1    106.36844  1     13.63684  1   287 286 282   -0.05050
 H       1.12542  1    109.82945  1    105.58968  1   288 287 286    0.07010
 H       1.13296  1    110.97449  1    226.17014  1   288 287 286    0.19170
 H       1.11683  1    111.57300  1    134.37155  1   287 286 282    0.07750
 H       1.11997  1    110.84309  1    254.52373  1   287 286 282    0.11330
 H       1.11791  1    110.62018  1    110.67439  1   286 282 281    0.07220
 H       1.11710  1    109.86221  1    230.03830  1   286 282 281    0.10490
 H       1.13134  1    109.89032  1     63.30569  1   282 281 279    0.13260
 C       1.54690  1    114.95179  1    334.05486  1   278 277   3   -0.18930
 C       1.48942  1    110.92240  1    304.80332  1   296 278 277   -0.07700
 C       1.40067  1    120.74092  1    299.85212  1   297 296 278   -0.13790
 C       1.39347  1    120.31804  1    180.12349  1   298 297 296   -0.15300
 C       1.39444  1    120.10686  1      0.44992  1   299 298 297   -0.15990
 C       1.39444  1    119.81270  1      0.32706  1   300 299 298   -0.13020
 C       1.39517  1    120.40295  1    359.47652  1   301 300 299   -0.10160
 H       1.11395  1    120.07894  1    178.54117  1   302 301 300    0.21890
 H       1.09962  1    120.32880  1    178.62594  1   301 300 299    0.12880
 H       1.09844  1    119.98360  1    179.51259  1   300 299 298    0.10400
 H       1.09864  1    119.77397  1    179.63379  1   299 298 297    0.10800
 H       1.10033  1    119.79308  1    358.84778  1   298 297 296    0.13210
 H       1.12969  1    110.28013  1     66.42158  1   296 278 277    0.15980
 H       1.12153  1    108.55495  1    184.49421  1   296 278 277    0.11400
 H       1.14017  1    106.39429  1    216.08931  1   278 277   3    0.11830
 H       1.00382  1    101.72927  1    304.88040  1   277   3   2    0.15290
 H       1.00527  1     58.66183  1    200.95320  1   277   3   2    0.15610
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.34100
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09450
 C       1.53380  0    108.58586  0    148.98325  0   314 313   3    0.20190
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.31520
 H       1.11509  1    115.03940  1    317.54036  1   315 314 313    0.08360
 C       1.54259  1    116.54398  1     25.81421  1   314 313   3   -0.13330
 C       1.51440  1    110.13138  1    189.11840  1   318 314 313   -0.21370
 H       1.11728  1    110.45674  1     67.35858  1   319 318 314    0.07340
 H       1.11765  1    109.97846  1    186.79848  1   319 318 314    0.08460
 H       1.11701  1    110.79930  1    307.21136  1   319 318 314    0.07580
 C       1.51487  1    111.06929  1    311.22333  1   318 314 313   -0.22710
 H       1.11964  1    111.02585  1     71.71737  1   323 318 314    0.08550
 H       1.11968  1    110.06907  1    190.97928  1   323 318 314    0.09910
 H       1.11743  1    110.80581  1    310.90766  1   323 318 314    0.07810
 H       1.12803  1    108.34530  1     69.96795  1   318 314 313    0.09960
 H       1.13066  1    106.26664  1    265.85347  1   314 313   3    0.12050
 H       1.00357  1     21.81438  1    348.32650  1   313   3   2    0.17300
 H       1.00150  1    100.12869  1    233.95351  1   313   3   2    0.14540
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.33640
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.07960
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.15870
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33800
 H       1.10996  1    115.29259  1    133.23036  1   333 332 331    0.12080
 C       1.52803  1    110.92959  1     57.61467  1   332 331   3   -0.21620
 C       1.51280  1    116.02927  1    186.25522  1   336 332 331    0.31240
 O       1.26686  1    122.57707  1     19.93038  1   337 336 332   -0.59010
 O       1.27264  1    116.59187  1    198.63886  1   337 336 332   -0.58920
 H       1.12444  1    108.69871  1    305.41487  1   336 332 331    0.11160
 H       1.12187  1    109.73195  1     63.47158  1   336 332 331    0.08420
 H       1.12963  1    108.21436  1    298.31255  1   332 331   3    0.14330
 H       1.00253  1     98.35062  1     60.04787  1   331   3   2    0.13450
 H       1.00255  1    145.70013  1    280.20246  1   331   3   2    0.12870
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36430
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02710
 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   -0.42340
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36680
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04190
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19540
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29730
 H       1.10281  1    120.67489  1     53.63733  1   351 350 349    0.10920
 C       1.54837  1    110.05011  1    113.40860  1   350 349 347   -0.15730
 C       1.51994  1    113.78649  1    296.06201  1   354 350 349   -0.10840
 C       1.51690  1    109.48842  1    170.99323  1   355 354 350   -0.21020
 H       1.11633  1    110.64639  1     62.03111  1   356 355 354    0.05910
 H       1.11820  1    110.28618  1    182.11258  1   356 355 354    0.07110
 H       1.11714  1    110.48348  1    301.97674  1   356 355 354    0.08810
 C       1.51425  1    111.54143  1    293.22979  1   355 354 350   -0.21160
 H       1.11820  1    110.43322  1     67.10265  1   360 355 354    0.08700
 H       1.11835  1    110.45067  1    186.25457  1   360 355 354    0.06650
 H       1.11660  1    110.69538  1    306.36504  1   360 355 354    0.05010
 H       1.12778  1    109.49146  1     52.93783  1   355 354 350    0.09700
 H       1.12338  1    108.40556  1     58.92418  1   354 350 349    0.12600
 H       1.12163  1    108.62332  1    175.52329  1   354 350 349    0.08250
 H       1.14037  1    106.38746  1    357.79542  1   350 349 347    0.10610
 H       1.00323  1    121.44868  1    358.83769  1   349 347 346    0.28660
 C       1.53940  1    113.85707  1    354.32693  1   346 345   3   -0.17940
 C       1.52248  1    113.67021  1    301.44117  1   369 346 345   -0.09780
 C       1.51768  1    112.66511  1     85.03065  1   370 369 346   -0.21820
 H       1.11955  1    111.56422  1     28.14077  1   371 370 369    0.10940
 H       1.11848  1    110.34150  1    148.34377  1   371 370 369    0.06610
 H       1.11691  1    110.67846  1    267.74417  1   371 370 369    0.08450
 C       1.51640  1    109.38434  1    207.80626  1   370 369 346   -0.21120
 H       1.11806  1    110.28904  1     56.33053  1   375 370 369    0.05170
 H       1.11854  1    110.56139  1    176.38028  1   375 370 369    0.06850
 H       1.11700  1    110.45737  1    296.21022  1   375 370 369    0.09550
 H       1.12402  1    108.28170  1    325.93623  1   370 369 346    0.07310
 H       1.12343  1    110.33699  1     63.28570  1   369 346 345    0.10810
 H       1.12294  1    107.28819  1    180.06770  1   369 346 345    0.08330
 H       1.13127  1    106.77762  1    234.32591  1   346 345   3    0.10540
 H       1.00608  1     42.34576  1    159.65746  1   345   3   2    0.20020
 H       1.00084  1    135.09463  1     94.85793  1   345   3   2    0.13810
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34830
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.06120
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27530
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.35870
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.36370
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04730
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.18270
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31720
 H       1.10942  1    115.95049  1     81.69527  1   391 390 389    0.10730
 C       1.53137  1    114.12224  1    146.34980  1   390 389 387   -0.12990
 C       1.48715  1    113.45791  1    304.16589  1   394 390 389   -0.09590
 C       1.40055  1    121.12820  1    307.92960  1   395 394 390   -0.12830
 C       1.39488  1    120.53962  1    180.59971  1   396 395 394   -0.10430
 C       1.39609  1    119.80213  1      0.47219  1   397 396 395   -0.11790
 C       1.39465  1    120.00755  1    359.81895  1   398 397 396   -0.15440
 C       1.39430  1    120.19677  1    359.83405  1   399 398 397   -0.14410
 H       1.09961  1    119.85120  1    180.75506  1   400 399 398    0.11650
 H       1.09974  1    120.02174  1    180.95230  1   399 398 397    0.11630
 H       1.10060  1    119.45811  1    181.05178  1   398 397 396    0.14280
 H       1.11109  1    120.40014  1    181.76074  1   397 396 395    0.20250
 H       1.10101  1    120.13685  1      1.55270  1   396 395 394    0.13890
 H       1.12379  1    109.08208  1     67.81170  1   394 390 389    0.09880
 H       1.12370  1    107.15222  1    183.48986  1   394 390 389    0.09400
 H       1.13501  1    107.53532  1     25.58414  1   390 389 387    0.13750
 H       0.99660  1    121.60663  1    346.41171  1   389 387 386    0.23490
 C       1.53791  1    112.50019  1    312.72636  1   386 385   3   -0.07730
 C       1.47318  1    108.58838  1    186.84725  1   410 386 385   -0.15490
 N       1.39785  1    123.95693  1     93.49859  1   411 410 386   -0.16130
 C       1.39273  1    106.46001  1    189.86845  1   412 411 410   -0.08410
 N       1.35541  1    111.75104  1    358.32286  1   413 412 411   -0.15160
 C       1.38322  1    105.71992  1      0.04832  1   414 413 412   -0.17770
 H       1.08882  1    121.87475  1    181.31946  1   415 414 413    0.15800
 H       1.09350  1    122.94489  1    181.04764  1   413 412 411    0.18530
 H       1.00028  1    124.43374  1    355.95486  1   412 411 410    0.30010
 H       1.12867  1    108.30200  1    307.06639  1   410 386 385    0.14690
 H       1.12062  1    110.70687  1     65.95107  1   410 386 385    0.07640
 H       1.13423  1    106.29607  1    194.96225  1   386 385   3    0.16590
 H       0.99879  1     71.10731  1    197.87262  1   385   3   2    0.14100
 H       0.99769  1    122.37162  1     95.36153  1   385   3   2    0.13900
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.43060
 H       0.96552  1     63.97592  1    305.92575  1   424   3   2    0.22100
 H       0.96305  1    166.20314  1    289.99476  1   424   3   2    0.20600

