


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.34930
 C       1.43541  0      0.00000  0      0.00000  0     1   0   0   -0.09340
 C       1.51361  0    105.85431  0      0.00000  0     2   1   0    0.17600
 O       1.21823  0    118.28448  0    316.65614  0     3   2   1   -0.29170
 H       1.10926  1    117.77878  1    136.37317  1     3   2   1    0.08710
 C       1.53685  1    110.36395  1     83.82791  1     2   3   4   -0.15950
 C       1.51199  1    113.05484  1     57.73403  1     6   2   3   -0.22670
 C       1.52861  1    113.40387  1     76.50736  1     7   6   2    0.32660
 O       1.26452  1    120.26318  1    296.54522  1     8   7   6   -0.57430
 O       1.27455  1    118.17851  1    117.19615  1     8   7   6   -0.62850
 H       1.12236  1    108.97655  1    197.11415  1     7   6   2    0.07410
 H       1.12073  1    110.50218  1    314.87050  1     7   6   2    0.06620
 H       1.12329  1    108.24448  1    178.45229  1     6   2   3    0.08060
 H       1.12333  1    109.16784  1    294.28132  1     6   2   3    0.08000
 H       1.13596  1    109.05084  1    200.15076  1     2   3   4    0.14060
 H       1.00459  1    109.75839  1    160.55561  1     1   2   3    0.13920
 H       1.00957  1    111.65284  1     42.48916  1     1   2   3    0.17820
 N       7.96014  0     75.09678  0    335.36568  0     3   2   1   -0.34740
 C       1.43306  0     42.93610  0    322.43062  0    18   3   2   -0.05970
 C       1.48866  0    114.42599  0    125.51033  0    19  18   3    0.33300
 O       1.22130  0    115.93694  0     35.03719  0    20  19  18   -0.43740
 N       1.33108  0    117.44794  0    215.43053  0    20  19  18   -0.36270
 C       1.45235  0    123.47707  0    179.52223  0    22  20  19   -0.02260
 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   -0.34980
 H       1.11389  1    115.30185  1    337.01485  1    24  23  22    0.09670
 C       1.54256  1    113.66659  1    178.63123  1    23  22  20   -0.07410
 C       1.46434  1    110.37746  1    271.03125  1    27  23  22   -0.21300
 C       1.40032  1    126.80027  1     89.21829  1    28  27  23   -0.00860
 N       1.39053  1    110.03833  1    182.17391  1    29  28  27   -0.20010
 C       1.39841  1    108.48563  1    359.10434  1    30  29  28   -0.01490
 C       1.44951  1    108.08709  1      1.14791  1    31  30  29   -0.07390
 C       1.39673  1    119.42155  1    179.57347  1    32  31  30   -0.10640
 C       1.38647  1    119.04864  1      0.27323  1    33  32  31   -0.17110
 C       1.40682  1    121.24519  1      0.66818  1    34  33  32   -0.14020
 C       1.38515  1    121.59139  1    359.52503  1    35  34  33   -0.12390
 H       1.09982  1    121.68802  1    177.22602  1    36  35  34    0.15570
 H       1.09945  1    119.14916  1    179.11550  1    35  34  33    0.11480
 H       1.09882  1    119.76810  1    180.31147  1    34  33  32    0.10440
 H       1.09911  1    119.82829  1    180.04891  1    33  32  31    0.12490
 H       0.99362  1    125.49102  1    176.17215  1    30  29  28    0.28060
 H       1.10182  1    128.41349  1      2.20565  1    29  28  27    0.21830
 H       1.12412  1    110.82967  1     33.66044  1    27  23  22    0.11120
 H       1.12438  1    107.96875  1    151.47459  1    27  23  22    0.09130
 H       1.13491  1    108.07307  1     58.09570  1    23  22  20    0.12480
 H       1.00392  1    122.19348  1      0.97958  1    22  20  19    0.28890
 C       1.53633  1    114.30380  1    345.90330  1    19  18   3   -0.19530
 C       1.52567  1    110.17616  1    203.99545  1    47  19  18    0.31730
 O       1.27237  1    119.20258  1    251.84418  1    48  47  19   -0.59470
 O       1.27881  1    122.27873  1     72.32838  1    48  47  19   -0.51940
 C       2.01584  0    116.94218  1    191.08754  1    50  48  47    0.19000
 H       1.10481  1     83.08695  1     11.11618  1    51  50  48    0.15880
 H       1.10321  1     83.10891  1    248.88276  1    51  50  48    0.13520
Cl       2.13944  1    164.63716  1    321.87432  1    51  50  48   -0.64070
 C       1.49133  1     93.50618  1    129.58686  1    51  50  48   -0.17760
 H       1.12966  1    107.91501  1    358.26516  1    55  51  50    0.13420
 H       1.12413  1    110.09906  1    241.70840  1    55  51  50    0.08560
 C       1.51493  1    112.98565  1    118.79037  1    55  51  50   -0.17530
 H       1.12329  1    109.21240  1    310.87487  1    58  55  51    0.09260
 C       1.50558  1    111.39282  1    190.26512  1    58  55  51   -0.21290
 H       1.11809  1    110.56912  1    298.96541  1    60  58  55    0.05620
 H       1.11819  1    110.44582  1    179.09498  1    60  58  55    0.06520
 H       1.11857  1    110.83934  1     59.11680  1    60  58  55    0.08140
 H       1.12354  1    109.78294  1     68.27126  1    58  55  51    0.09410
 H       1.12093  1    109.73263  1    323.08749  1    47  19  18    0.13890
 H       1.11904  1    112.09762  1     82.16345  1    47  19  18    0.10050
 H       1.16371  1    107.30509  1    234.82433  1    19  18   3    0.07880
 H       1.00186  1    151.67785  1    344.87132  1    18   3   2    0.15580
 H       1.00178  1     91.28172  1    204.62526  1    18   3   2    0.16460
 N      11.18390  0     45.95169  0    335.35266  0     3   2   1   -0.33420
 C       1.48474  0    109.83433  0    318.64400  0    70   3   2   -0.09890
 C       1.54617  0    110.48582  0    112.74304  0    71  70   3    0.20050
 O       1.23698  0    121.33134  0    141.68350  0    72  71  70   -0.32890
 H       1.11018  1    116.42877  1    320.89649  1    72  71  70    0.10380
 C       1.52986  1    116.78167  1    351.03884  1    71  70   3   -0.15250
 C       1.48788  1    115.66657  1    286.84653  1    75  71  70   -0.06810
 C       1.39752  1    123.88135  1    352.42611  1    76  75  71   -0.13310
 C       1.39571  1    120.36449  1    180.39553  1    77  76  75   -0.13350
 C       1.39254  1    120.42123  1      0.43066  1    78  77  76   -0.13430
 C       1.39599  1    119.62515  1      0.07313  1    79  78  77   -0.12730
 C       1.39179  1    120.06685  1    359.51004  1    80  79  78   -0.12660
 H       1.10281  1    119.77113  1    181.55333  1    81  80  79    0.14930
 H       1.10228  1    120.09073  1    179.98996  1    80  79  78    0.14070
 H       1.10076  1    120.30902  1    181.22504  1    79  78  77    0.13470
 H       1.09980  1    119.74310  1    181.33652  1    78  77  76    0.12500
 H       1.09949  1    121.01567  1      1.13512  1    77  76  75    0.12970
 H       1.12643  1    109.23072  1     50.18347  1    75  71  70    0.10970
 H       1.12639  1    107.97506  1    166.00888  1    75  71  70    0.09590
 H       1.12887  1    106.55538  1    228.63181  1    71  70   3    0.11500
 H       1.00553  1     61.36814  1    217.38966  1    70   3   2    0.17850
 H       1.00426  1     48.82538  1     57.46614  1    70   3   2    0.15000
 N      16.98887  0     78.77108  0    276.65240  0     3   2   1   -0.33130
 C       1.47352  0     50.04108  0    198.47436  0    92   3   2   -0.10230
 C       1.54084  0    112.94709  0     70.56927  0    93  92   3    0.19870
 O       1.24033  0    121.30901  0    176.74567  0    94  93  92   -0.30310
 H       1.10987  1    116.97993  1    356.41842  1    94  93  92    0.09950
 C       1.54726  1    112.63062  1    309.52121  1    93  92   3   -0.15630
 C       1.49014  1    110.63392  1     49.61468  1    97  93  92   -0.06380
 C       1.40037  1    120.52750  1     86.64277  1    98  97  93   -0.13090
 C       1.39378  1    120.36623  1    182.47025  1    99  98  97   -0.11520
 C       1.39508  1    120.12573  1    359.44577  1   100  99  98   -0.14610
 C       1.39450  1    119.80984  1    359.80551  1   101 100  99   -0.12410
 C       1.39387  1    120.14678  1      0.67471  1   102 101 100   -0.14450
 H       1.09969  1    119.98179  1    180.99657  1   103 102 101    0.11940
 H       1.09919  1    119.93691  1    181.14473  1   102 101 100    0.11960
 H       1.09966  1    119.95978  1    180.59972  1   101 100  99    0.13510
 H       1.10204  1    119.81945  1    180.09249  1   100  99  98    0.14290
 H       1.10227  1    119.61280  1      3.06010  1    99  98  97    0.14390
 H       1.12380  1    109.66134  1    171.35761  1    97  93  92    0.13820
 H       1.12148  1    109.60693  1    288.14643  1    97  93  92    0.10630
 H       1.12715  1    107.66066  1    189.22488  1    93  92   3    0.12880
 H       1.00281  1    112.97126  1    103.75034  1    92   3   2    0.14000
 H       1.00408  1     60.58127  1      5.18558  1    92   3   2    0.14550
 N      17.89408  0     97.90475  0    267.28960  0     3   2   1   -0.29300
 C       1.43736  0    110.29372  0    222.59590  0   114   3   2   -0.11470
 C       1.49667  0    113.30282  0     44.24659  0   115 114   3    0.18480
 O       1.21152  0    117.76296  0    341.83825  0   116 115 114   -0.30490
 H       1.10994  1    117.47590  1    162.08044  1   116 115 114    0.11110
 C       1.55162  1    110.03805  1    279.62090  1   115 114   3   -0.17310
 C       1.52274  1    105.33692  1    359.28719  1   119 115 114   -0.17450
 C       1.53714  1    105.92038  1    355.93946  1   120 119 115   -0.09160
 H       1.12265  1    110.80319  1    130.95673  1   121 120 119    0.08550
 H       1.12446  1    110.13540  1    250.02325  1   121 120 119    0.07030
 H       1.11802  1    110.69904  1    116.01551  1   120 119 115    0.10990
 H       1.11625  1    111.18532  1    235.70336  1   120 119 115    0.07700
 H       1.12261  1    112.40068  1    120.65318  1   119 115 114    0.16090
 H       1.11656  1    109.72052  1    239.55488  1   119 115 114    0.08810
 H       1.13346  1    106.61996  1    162.38074  1   115 114   3    0.09360
 H       1.00624  1     33.42312  1    321.84760  1   114   3   2    0.16900
 N      17.12834  0    109.64320  0    254.84939  0     3   2   1   -0.35100
 C       1.45843  0     53.82819  0    185.26230  0   130   3   2   -0.06830
 C       1.54573  0    115.39702  0    325.30114  0   131 130   3    0.17850
 O       1.21650  0    121.78862  0    193.10814  0   132 131 130   -0.30730
 H       1.11461  1    116.15883  1     14.24436  1   132 131 130    0.07590
 C       1.53321  1    113.32618  1    196.52892  1   131 130   3   -0.22470
 C       1.53528  1    116.86485  1     35.35830  1   135 131 130    0.33330
 O       1.26987  1    120.20138  1     26.63628  1   136 135 131   -0.61080
 O       1.26469  1    117.14289  1    206.45619  1   136 135 131   -0.57940
 H       1.12044  1    108.86711  1    157.05728  1   135 131 130    0.10070
 H       1.12024  1    108.24158  1    274.03352  1   135 131 130    0.07400
 H       1.13610  1    105.61734  1     78.63948  1   131 130   3    0.07880
 H       1.00625  1    134.42552  1    101.48287  1   130   3   2    0.18260
 H       1.00382  1     56.37604  1     18.19702  1   130   3   2    0.12020
 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   -0.08450
 C       1.53835  0    116.53274  0    230.26398  0   145 144   3    0.19640
 O       1.24316  0    120.46732  0    146.99107  0   146 145 144   -0.30950
 H       1.10859  1    117.14771  1    324.90367  1   146 145 144    0.09980
 C       1.55146  1    113.45776  1    106.06593  1   145 144   3   -0.16660
 C       1.48687  1    113.79200  1    183.82315  1   149 145 144   -0.07090
 C       1.40062  1    120.50201  1     68.61475  1   150 149 145   -0.12780
 C       1.39397  1    120.45490  1    178.80095  1   151 150 149   -0.12460
 C       1.39545  1    120.12243  1      0.30771  1   152 151 150   -0.14480
 C       1.39486  1    119.72551  1    359.11395  1   153 152 151   -0.13480
 C       1.39398  1    120.25381  1      0.49364  1   154 153 152   -0.13310
 H       1.09962  1    119.86776  1    180.48218  1   155 154 153    0.12130
 H       1.09910  1    119.91952  1    180.68557  1   154 153 152    0.11740
 H       1.10221  1    119.89569  1    179.40302  1   153 152 151    0.14080
 H       1.10423  1    119.69974  1    182.53805  1   152 151 150    0.15570
 H       1.10268  1    119.98984  1    358.50048  1   151 150 149    0.14920
 H       1.12585  1    107.92507  1    304.14125  1   149 145 144    0.10120
 H       1.12394  1    109.15710  1     60.06091  1   149 145 144    0.10340
 H       1.13642  1    105.96237  1    348.93925  1   145 144   3    0.12290
 H       1.00152  1     75.17515  1     89.01376  1   144   3   2    0.17340
 H       1.00193  1    168.29156  1    335.34150  1   144   3   2    0.15080
 N      10.94337  0    106.51163  0    240.89105  0     3   2   1   -0.33860
 C       1.46213  0     14.86456  0    265.09140  0   166   3   2   -0.09040
 C       1.54890  0    109.51012  0    131.27165  0   167 166   3    0.22190
 O       1.23101  0    125.00583  0    126.76891  0   168 167 166   -0.33580
 H       1.11412  1    113.74438  1    305.15430  1   168 167 166    0.09690
 C       1.54484  1    111.02668  1     11.65041  1   167 166   3   -0.12210
 C       1.46162  1    118.05591  1    164.28418  1   171 167 166   -0.20450
 C       1.39975  1    125.74413  1    252.70688  1   172 171 167   -0.07360
 N       1.39269  1    111.01989  1    189.67680  1   173 172 171   -0.19750
 C       1.40161  1    107.32673  1      4.02115  1   174 173 172   -0.01370
 C       1.44787  1    108.63880  1    356.42234  1   175 174 173   -0.07550
 C       1.39586  1    119.33954  1    179.12761  1   176 175 174   -0.10770
 C       1.38660  1    118.96253  1      0.21503  1   177 176 175   -0.16360
 C       1.40523  1    121.42127  1    359.67505  1   178 177 176   -0.13170
 C       1.38498  1    121.48408  1      0.41801  1   179 178 177   -0.11940
 H       1.10158  1    120.70815  1    180.72561  1   180 179 178    0.15690
 H       1.10216  1    119.93938  1    182.61358  1   179 178 177    0.13790
 H       1.10008  1    119.44511  1    182.04202  1   178 177 176    0.11980
 H       1.09915  1    120.11555  1    181.88572  1   177 176 175    0.12870
 H       1.01531  1    123.06619  1    159.02712  1   174 173 172    0.29610
 H       1.09458  1    128.63581  1      9.08557  1   173 172 171    0.16090
 H       1.12768  1    106.94666  1    286.10116  1   171 167 166    0.10720
 H       1.12917  1    108.41618  1     41.37534  1   171 167 166    0.08750
 H       1.12549  1    108.77761  1    250.72560  1   167 166   3    0.11490
 H       1.00289  1     99.37099  1    133.13903  1   166   3   2    0.15800
 H       1.00417  1    103.85738  1     21.44476  1   166   3   2    0.14640
 N      10.01719  0    101.54687  0    205.40459  0     3   2   1   -0.33330
 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    0.32060
 O       1.23614  0    116.70478  0    115.46584  0   194 193 192   -0.39140
 N       1.35879  0    120.55811  0    294.85307  0   194 193 192   -0.36990
 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    0.19470
 O       1.23358  0    117.93172  0    174.66855  0   198 197 196   -0.31790
 H       1.10890  1    119.06316  1    356.07892  1   198 197 196    0.10510
 C       1.55392  1    111.16588  1    154.36875  1   197 196 194   -0.11160
 C       1.51216  1    111.36428  1    299.07799  1   201 197 196   -0.21010
 H       1.11730  1    111.51985  1     69.45177  1   202 201 197    0.08400
 H       1.11724  1    109.77067  1    189.14579  1   202 201 197    0.07410
 H       1.11679  1    110.57722  1    308.90722  1   202 201 197    0.08640
 C       1.51262  1    111.96081  1     63.93200  1   201 197 196   -0.21070
 H       1.11700  1    110.43196  1     48.85790  1   206 201 197    0.06710
 H       1.11729  1    109.79318  1    168.50921  1   206 201 197    0.07620
 H       1.11678  1    111.63694  1    287.93283  1   206 201 197    0.07980
 H       1.12922  1    105.77860  1    181.86951  1   201 197 196    0.10660
 H       1.14254  1    105.41989  1     39.01019  1   197 196 194    0.14100
 H       0.98841  1    122.47524  1      3.67768  1   196 194 193    0.24510
 C       1.54225  1    116.51661  1     34.31675  1   193 192   3   -0.19740
 C       1.52279  1    112.17511  1    272.92127  1   213 193 192   -0.10420
 C       1.51645  1    110.12553  1    166.84175  1   214 213 193   -0.22950
 H       1.12008  1    111.02054  1     68.83858  1   215 214 213    0.11150
 H       1.11785  1    110.03797  1    187.78761  1   215 214 213    0.08580
 H       1.11652  1    110.76449  1    307.18061  1   215 214 213    0.08110
 C       1.51563  1    111.86888  1    288.43306  1   214 213 193   -0.20840
 H       1.11585  1    111.50967  1     63.29409  1   219 214 213    0.05180
 H       1.11715  1    109.68336  1    183.30386  1   219 214 213    0.08020
 H       1.11715  1    110.39001  1    302.42964  1   219 214 213    0.09100
 H       1.12920  1    108.36217  1     48.47059  1   214 213 193    0.07970
 H       1.12309  1    109.84614  1     34.52306  1   213 193 192    0.09350
 H       1.12182  1    109.70550  1    152.25901  1   213 193 192    0.09420
 H       1.13991  1    105.31142  1    275.83382  1   193 192   3    0.13080
 H       1.00586  1     58.83826  1    171.57791  1   192   3   2    0.16280
 H       1.00482  1     94.62477  1     64.06540  1   192   3   2    0.14570
 N      11.18833  0    145.22708  0    179.37926  0     3   2   1   -0.32500
 C       1.47538  0     38.91567  0     92.42374  0   229   3   2   -0.11420
 C       1.53156  0    110.85889  0     76.62987  0   230 229   3    0.20500
 O       1.23608  0    120.93801  0    131.97322  0   231 230 229   -0.28640
 H       1.10941  1    116.58058  1    310.22903  1   231 230 229    0.09110
 C       1.54167  1    114.52905  1    314.66743  1   230 229   3   -0.14210
 C       1.48621  1    112.21082  1    213.31423  1   234 230 229   -0.10070
 C       1.39877  1    120.63768  1    246.22234  1   235 234 230   -0.11780
 C       1.39532  1    120.24332  1    182.62043  1   236 235 234   -0.11760
 C       1.39549  1    120.15266  1    359.85624  1   237 236 235   -0.14450
 C       1.39590  1    119.81802  1      0.31379  1   238 237 236   -0.13830
 C       1.39286  1    120.12630  1    359.70817  1   239 238 237   -0.13230
 H       1.09969  1    119.95630  1    179.86287  1   240 239 238    0.11340
 H       1.10011  1    119.93921  1    179.29820  1   239 238 237    0.13280
 H       1.10514  1    119.64532  1    179.48971  1   238 237 236    0.17090
 H       1.10687  1    119.82626  1    180.93876  1   237 236 235    0.17790
 H       1.10052  1    120.26498  1      2.32272  1   236 235 234    0.13860
 H       1.12539  1    109.56984  1    333.17968  1   234 230 229    0.08380
 H       1.12225  1    109.64724  1     90.08080  1   234 230 229    0.09090
 H       1.13073  1    106.76068  1    194.19430  1   230 229   3    0.14050
 H       1.00140  1    116.93887  1      5.51130  1   229   3   2    0.14450
 H       1.00169  1     71.30871  1    263.77938  1   229   3   2    0.13070
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32140
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11700
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19620
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.29920
 H       1.11119  1    116.73083  1    347.62831  1   253 252 251    0.07940
 C       1.54053  1    115.79612  1    337.38478  1   252 251   3   -0.10230
 C       1.47101  1    108.29639  1    292.26626  1   256 252 251   -0.17030
 C       1.39179  1    127.39151  1    100.17362  1   257 256 252   -0.07680
 N       1.40217  1    110.56972  1    185.24785  1   258 257 256   -0.20750
 C       1.40625  1    107.68686  1    356.33786  1   259 258 257   -0.02580
 C       1.44451  1    108.26412  1      3.49319  1   260 259 258   -0.07440
 C       1.39471  1    119.54464  1    177.64913  1   261 260 259   -0.08840
 C       1.38759  1    118.86352  1    359.30984  1   262 261 260   -0.14700
 C       1.40597  1    121.37982  1    359.92356  1   263 262 261   -0.09890
 C       1.38657  1    121.46803  1      0.80183  1   264 263 262   -0.16180
 H       1.09817  1    121.17399  1    179.45178  1   265 264 263    0.13070
 H       1.10412  1    118.58475  1    181.00060  1   264 263 262    0.15950
 H       1.10105  1    119.84476  1    179.48499  1   263 262 261    0.14590
 H       1.10001  1    120.09983  1    178.92385  1   262 261 260    0.14020
 H       0.98896  1    122.90846  1    203.67087  1   259 258 257    0.23870
 H       1.09377  1    129.11125  1      2.54456  1   258 257 256    0.16750
 H       1.12095  1    110.70879  1     54.00150  1   256 252 251    0.08270
 H       1.12335  1    108.69569  1    172.75499  1   256 252 251    0.12040
 H       1.14193  1    105.14169  1    221.49354  1   252 251   3    0.13230
 H       1.00514  1     89.75754  1    321.36257  1   251   3   2    0.16550
 H       1.00397  1     60.61101  1    211.20628  1   251   3   2    0.12870
 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   -0.04150
 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   -0.41820
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.30990
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.03460
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19480
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.32830
 H       1.11028  1    116.86234  1    314.91417  1   283 282 281    0.09140
 C       1.54323  1    107.48285  1    182.84681  1   282 281 279   -0.15480
 C       1.52565  1    105.74810  1    351.19780  1   286 282 281   -0.16660
 C       1.53902  1    106.58886  1     11.45273  1   287 286 282   -0.04680
 H       1.12521  1    109.61796  1    108.69467  1   288 287 286    0.06770
 H       1.13370  1    111.00544  1    228.94165  1   288 287 286    0.18690
 H       1.11705  1    111.43335  1    132.05778  1   287 286 282    0.07320
 H       1.12013  1    110.74852  1    252.11144  1   287 286 282    0.12150
 H       1.11760  1    110.68668  1    111.62141  1   286 282 281    0.06840
 H       1.11752  1    109.72377  1    230.94286  1   286 282 281    0.10990
 H       1.13332  1    109.62745  1     62.93784  1   282 281 279    0.14220
 C       1.54570  1    115.05526  1    333.52373  1   278 277   3   -0.18940
 C       1.48934  1    111.08606  1    304.06030  1   296 278 277   -0.07440
 C       1.40079  1    120.68824  1    299.60999  1   297 296 278   -0.13830
 C       1.39348  1    120.41121  1    180.19992  1   298 297 296   -0.15450
 C       1.39431  1    120.05406  1      0.38032  1   299 298 297   -0.16050
 C       1.39424  1    119.77397  1      0.30901  1   300 299 298   -0.13280
 C       1.39503  1    120.53135  1    359.48048  1   301 300 299   -0.10010
 H       1.11394  1    120.12899  1    178.80436  1   302 301 300    0.21940
 H       1.09969  1    120.27557  1    178.68812  1   301 300 299    0.12770
 H       1.09835  1    119.98261  1    179.56691  1   300 299 298    0.10320
 H       1.09854  1    119.81234  1    179.65788  1   299 298 297    0.10740
 H       1.10036  1    119.72544  1    359.08588  1   298 297 296    0.13120
 H       1.12977  1    110.19874  1     65.88615  1   296 278 277    0.16230
 H       1.12089  1    108.51891  1    183.90077  1   296 278 277    0.11330
 H       1.14038  1    106.07481  1    215.51616  1   278 277   3    0.11580
 H       1.00458  1     98.07936  1    302.81432  1   277   3   2    0.15220
 H       1.00551  1     60.38894  1    196.82886  1   277   3   2    0.15460
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.34020
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09550
 C       1.53380  0    108.58586  0    148.98325  0   314 313   3    0.20140
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.31770
 H       1.11514  1    115.00681  1    316.75858  1   315 314 313    0.08290
 C       1.54233  1    116.93452  1     25.55820  1   314 313   3   -0.13220
 C       1.51503  1    110.00801  1    189.90864  1   318 314 313   -0.21200
 H       1.11747  1    110.34365  1     66.99291  1   319 318 314    0.07230
 H       1.11754  1    110.05933  1    186.39846  1   319 318 314    0.08230
 H       1.11692  1    110.86751  1    306.76308  1   319 318 314    0.07340
 C       1.51426  1    111.00352  1    311.64725  1   318 314 313   -0.23190
 H       1.11982  1    111.08255  1     71.81711  1   323 318 314    0.08950
 H       1.11991  1    110.19262  1    190.82308  1   323 318 314    0.11000
 H       1.11758  1    110.82473  1    311.01301  1   323 318 314    0.07390
 H       1.12743  1    108.44127  1     70.57000  1   318 314 313    0.10020
 H       1.13085  1    106.12199  1    265.76066  1   314 313   3    0.11930
 H       1.00354  1     20.87716  1    346.34973  1   313   3   2    0.17270
 H       1.00217  1    100.88309  1    233.99778  1   313   3   2    0.14570
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.32740
 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    0.14420
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33540
 H       1.11047  1    115.59017  1    132.60209  1   333 332 331    0.11690
 C       1.52918  1    109.51220  1     58.62079  1   332 331   3   -0.20030
 C       1.51111  1    115.29664  1    186.15771  1   336 332 331    0.30750
 O       1.26799  1    122.42059  1     19.28988  1   337 336 332   -0.59350
 O       1.27294  1    117.06444  1    197.98758  1   337 336 332   -0.58950
 H       1.12394  1    108.79935  1    305.43363  1   336 332 331    0.11520
 H       1.12165  1    109.87593  1     63.53790  1   336 332 331    0.08440
 H       1.12823  1    109.24642  1    299.44854  1   332 331   3    0.14530
 H       1.00274  1    117.40672  1     34.04959  1   331   3   2    0.13620
 H       1.00205  1    130.44169  1    238.95184  1   331   3   2    0.12430
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36560
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02810
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.28070
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.42270
 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   -0.04210
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19630
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29640
 H       1.10272  1    120.65222  1     53.77527  1   351 350 349    0.10930
 C       1.54880  1    110.05627  1    113.27049  1   350 349 347   -0.15600
 C       1.52034  1    113.64306  1    293.31150  1   354 350 349   -0.11420
 C       1.51698  1    109.29849  1    167.09719  1   355 354 350   -0.20980
 H       1.11657  1    110.51015  1     55.80248  1   356 355 354    0.06280
 H       1.11782  1    110.62628  1    175.65055  1   356 355 354    0.06800
 H       1.11732  1    110.37729  1    295.83701  1   356 355 354    0.08700
 C       1.51501  1    111.44103  1    288.97877  1   355 354 350   -0.20410
 H       1.11728  1    110.44048  1     65.19514  1   360 355 354    0.08020
 H       1.11787  1    110.36739  1    184.44057  1   360 355 354    0.06540
 H       1.11652  1    110.71280  1    304.53949  1   360 355 354    0.05200
 H       1.12716  1    109.55641  1     48.66567  1   355 354 350    0.09900
 H       1.12313  1    108.45319  1     56.27806  1   354 350 349    0.12460
 H       1.12185  1    108.87117  1    172.78094  1   354 350 349    0.08460
 H       1.14044  1    106.30263  1    357.70461  1   350 349 347    0.10640
 H       1.00311  1    121.51588  1    359.49907  1   349 347 346    0.28530
 C       1.53844  1    113.40842  1    353.94570  1   346 345   3   -0.17730
 C       1.52318  1    113.43052  1    303.58135  1   369 346 345   -0.09780
 C       1.51855  1    112.76232  1     84.96836  1   370 369 346   -0.22040
 H       1.11963  1    111.68178  1     24.30321  1   371 370 369    0.11040
 H       1.11767  1    110.46419  1    144.79734  1   371 370 369    0.07040
 H       1.11701  1    110.58438  1    264.11035  1   371 370 369    0.08290
 C       1.51629  1    109.38793  1    207.49261  1   370 369 346   -0.21170
 H       1.11801  1    110.52653  1     52.78767  1   375 370 369    0.05450
 H       1.11845  1    110.50823  1    173.03838  1   375 370 369    0.07070
 H       1.11722  1    110.26725  1    292.65648  1   375 370 369    0.09010
 H       1.12389  1    108.22249  1    325.54937  1   370 369 346    0.07620
 H       1.12309  1    110.43265  1     65.45701  1   369 346 345    0.10550
 H       1.12319  1    107.19948  1    182.10871  1   369 346 345    0.08220
 H       1.13163  1    106.76813  1    234.22630  1   346 345   3    0.10680
 H       1.00575  1     43.37090  1    155.37150  1   345   3   2    0.20120
 H       1.00063  1    138.50070  1     94.10860  1   345   3   2    0.13790
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34870
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.05920
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27750
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.36500
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.36290
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04680
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.18040
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31450
 H       1.10942  1    115.93941  1     81.65372  1   391 390 389    0.10770
 C       1.53129  1    113.90844  1    146.81792  1   390 389 387   -0.12870
 C       1.48666  1    114.52718  1    303.46574  1   394 390 389   -0.09430
 C       1.40004  1    121.96153  1    316.44892  1   395 394 390   -0.12940
 C       1.39588  1    120.57782  1    181.76569  1   396 395 394   -0.09900
 C       1.39620  1    119.76947  1      0.23865  1   397 396 395   -0.11990
 C       1.39414  1    120.00546  1    359.60682  1   398 397 396   -0.15380
 C       1.39285  1    120.21540  1      0.43215  1   399 398 397   -0.14510
 H       1.09973  1    119.82601  1    180.44204  1   400 399 398    0.11490
 H       1.09940  1    120.02690  1    181.22595  1   399 398 397    0.11280
 H       1.10067  1    119.75291  1    180.57550  1   398 397 396    0.13910
 H       1.11056  1    120.45739  1    181.05974  1   397 396 395    0.20240
 H       1.10120  1    120.29159  1      2.89643  1   396 395 394    0.14270
 H       1.12407  1    109.01074  1     67.28711  1   394 390 389    0.09940
 H       1.12475  1    106.90694  1    182.61646  1   394 390 389    0.09380
 H       1.13463  1    107.68118  1     25.69012  1   390 389 387    0.13710
 H       0.99666  1    121.65834  1    346.77313  1   389 387 386    0.23660
 C       1.53803  1    110.94143  1    312.87142  1   386 385   3   -0.07950
 C       1.47099  1    110.01387  1    187.85547  1   410 386 385   -0.13890
 N       1.39659  1    124.15157  1     88.19487  1   411 410 386   -0.15920
 C       1.39045  1    106.64017  1    185.41280  1   412 411 410   -0.09930
 N       1.35554  1    111.53393  1    358.44231  1   413 412 411   -0.16460
 C       1.38590  1    105.91214  1      0.32198  1   414 413 412   -0.18950
 H       1.08983  1    121.90592  1    181.61261  1   415 414 413    0.16520
 H       1.09347  1    123.15869  1    180.06050  1   413 412 411    0.18730
 H       1.00098  1    125.01212  1    355.88957  1   412 411 410    0.30630
 H       1.12937  1    108.11545  1    308.12387  1   410 386 385    0.14640
 H       1.12123  1    110.51600  1     66.82435  1   410 386 385    0.08050
 H       1.13357  1    106.60271  1    195.29261  1   386 385   3    0.16630
 H       0.99878  1     71.04645  1    196.67383  1   385   3   2    0.14170
 H       0.99759  1    123.32868  1     94.34814  1   385   3   2    0.13920
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.42420
 H       0.96506  1     61.86937  1    308.34237  1   424   3   2    0.21730
 H       0.96100  1    162.77957  1    280.64969  1   424   3   2    0.20210

