


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.35070
 C       1.43541  0      0.00000  0      0.00000  0     1   0   0   -0.10080
 C       1.51361  0    105.85431  0      0.00000  0     2   1   0    0.18300
 O       1.21823  0    118.28448  0    316.65614  0     3   2   1   -0.30080
 H       1.10909  1    117.73451  1    136.69408  1     3   2   1    0.09150
 C       1.53524  1    111.24062  1     84.43883  1     2   3   4   -0.15250
 C       1.51128  1    112.83803  1     57.29654  1     6   2   3   -0.23220
 C       1.52904  1    113.21981  1     76.90846  1     7   6   2    0.32680
 O       1.26527  1    120.10596  1    296.96801  1     8   7   6   -0.57980
 O       1.27358  1    118.22699  1    117.38678  1     8   7   6   -0.62160
 H       1.12252  1    108.87703  1    197.43973  1     7   6   2    0.08510
 H       1.12071  1    110.42191  1    315.20541  1     7   6   2    0.06500
 H       1.12394  1    108.25338  1    177.46579  1     6   2   3    0.08340
 H       1.12303  1    109.42752  1    293.33181  1     6   2   3    0.07790
 H       1.13750  1    108.65162  1    200.72490  1     2   3   4    0.14560
 H       1.00424  1    109.81268  1    160.52186  1     1   2   3    0.13510
 H       1.00905  1    111.49119  1     42.09521  1     1   2   3    0.17060
 N       7.96014  0     75.09678  0    335.36568  0     3   2   1   -0.34680
 C       1.43306  0     42.93610  0    322.43062  0    18   3   2   -0.06370
 C       1.48866  0    114.42599  0    125.51033  0    19  18   3    0.33120
 O       1.22130  0    115.93694  0     35.03719  0    20  19  18   -0.42120
 N       1.33108  0    117.44794  0    215.43053  0    20  19  18   -0.36090
 C       1.45235  0    123.47707  0    179.52223  0    22  20  19   -0.02670
 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   -0.34290
 H       1.11386  1    115.31749  1    337.75764  1    24  23  22    0.09470
 C       1.54387  1    112.85045  1    178.73423  1    23  22  20   -0.06870
 C       1.46316  1    110.18092  1    275.01122  1    27  23  22   -0.23610
 C       1.40315  1    127.44455  1     91.87817  1    28  27  23   -0.02110
 N       1.38666  1    110.56290  1    182.77490  1    29  28  27   -0.19570
 C       1.39861  1    108.01692  1    359.07891  1    30  29  28   -0.01590
 C       1.45065  1    108.33623  1      1.21362  1    31  30  29   -0.07530
 C       1.39645  1    119.79735  1    179.49703  1    32  31  30   -0.12000
 C       1.38513  1    119.10103  1      0.60881  1    33  32  31   -0.16930
 C       1.40692  1    121.06454  1      0.83256  1    34  33  32   -0.14630
 C       1.38500  1    121.51685  1    359.20990  1    35  34  33   -0.11660
 H       1.09865  1    121.59928  1    176.40376  1    36  35  34    0.16310
 H       1.09946  1    119.25229  1    178.64898  1    35  34  33    0.11740
 H       1.09875  1    119.88212  1    180.04809  1    34  33  32    0.10230
 H       1.09903  1    119.77952  1    180.34833  1    33  32  31    0.11960
 H       1.02273  1    124.07052  1    174.96304  1    30  29  28    0.31920
 H       1.09928  1    128.67758  1      3.96204  1    29  28  27    0.20270
 H       1.12351  1    110.83333  1     37.98558  1    27  23  22    0.10240
 H       1.12437  1    107.68657  1    155.67427  1    27  23  22    0.09440
 H       1.13464  1    108.26096  1     58.54555  1    23  22  20    0.13140
 H       1.00033  1    122.18427  1      0.63038  1    22  20  19    0.27360
 C       1.53429  1    113.57082  1    346.07247  1    19  18   3   -0.17560
 C       1.51653  1    109.02427  1    204.83218  1    47  19  18    0.30950
 O       1.25488  1    121.50155  1    245.94635  1    48  47  19   -0.49800
 O       1.31236  1    120.02849  1     64.75391  1    48  47  19   -0.39630
 C       1.86584  0    112.00564  1    190.93145  1    50  48  47    0.16070
 H       1.10252  1     99.42786  1     17.30411  1    51  50  48    0.15570
 H       1.10090  1     95.76740  1    259.06325  1    51  50  48    0.13890
Cl       2.82333  1    162.98215  1    331.40160  1    51  50  48   -0.85610
 C       1.48358  1     98.97794  1    137.53622  1    51  50  48   -0.18260
 H       1.12719  1    109.15330  1    351.29831  1    55  51  50    0.11850
 H       1.12537  1    108.83373  1    234.40757  1    55  51  50    0.10540
 C       1.51482  1    112.19826  1    113.02192  1    55  51  50   -0.17510
 H       1.12314  1    109.74602  1    308.98712  1    58  55  51    0.09340
 C       1.50535  1    111.24931  1    187.62557  1    58  55  51   -0.21210
 H       1.11847  1    110.45193  1    299.02209  1    60  58  55    0.06330
 H       1.11811  1    110.27385  1    179.02901  1    60  58  55    0.06930
 H       1.11871  1    110.99049  1     59.25004  1    60  58  55    0.07290
 H       1.12525  1    108.88470  1     66.15955  1    58  55  51    0.10830
 H       1.12299  1    110.02031  1    323.53940  1    47  19  18    0.15160
 H       1.11895  1    112.71087  1     83.53806  1    47  19  18    0.11830
 H       1.16384  1    107.12675  1    234.73782  1    19  18   3    0.08230
 H       1.00194  1    151.53735  1    346.27269  1    18   3   2    0.16280
 H       1.00167  1     91.73840  1    204.92017  1    18   3   2    0.16650
 N      11.18390  0     45.95169  0    335.35266  0     3   2   1   -0.33320
 C       1.48474  0    109.83433  0    318.64400  0    70   3   2   -0.10060
 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   -0.32650
 H       1.11010  1    116.35603  1    320.13262  1    72  71  70    0.10390
 C       1.52993  1    116.71760  1    351.17449  1    71  70   3   -0.15170
 C       1.48741  1    115.85989  1    287.63613  1    75  71  70   -0.07130
 C       1.39709  1    124.00996  1    353.20944  1    76  75  71   -0.13900
 C       1.39635  1    120.32461  1    180.44082  1    77  76  75   -0.13150
 C       1.39178  1    120.41567  1      0.60356  1    78  77  76   -0.13700
 C       1.39635  1    119.63072  1    359.97643  1    79  78  77   -0.12840
 C       1.39118  1    120.11018  1    359.19148  1    80  79  78   -0.12320
 H       1.10405  1    119.79938  1    181.94678  1    81  80  79    0.15500
 H       1.10262  1    120.10046  1    179.78898  1    80  79  78    0.14290
 H       1.10140  1    120.41656  1    181.34177  1    79  78  77    0.13430
 H       1.09982  1    119.71459  1    181.40196  1    78  77  76    0.12460
 H       1.09946  1    121.03291  1      1.09700  1    77  76  75    0.13000
 H       1.12673  1    109.20291  1     51.07455  1    75  71  70    0.10840
 H       1.12649  1    107.89430  1    166.88733  1    75  71  70    0.09780
 H       1.12890  1    106.50386  1    228.89374  1    71  70   3    0.11600
 H       1.00528  1     61.14014  1    217.47392  1    70   3   2    0.17560
 H       1.00422  1     49.04730  1     57.46694  1    70   3   2    0.14820
 N      16.98887  0     78.77108  0    276.65240  0     3   2   1   -0.32940
 C       1.47352  0     50.04108  0    198.47436  0    92   3   2   -0.10290
 C       1.54084  0    112.94709  0     70.56927  0    93  92   3    0.19580
 O       1.24033  0    121.30901  0    176.74567  0    94  93  92   -0.30070
 H       1.10989  1    116.97261  1    356.79701  1    94  93  92    0.10150
 C       1.54709  1    112.59381  1    309.30536  1    93  92   3   -0.15470
 C       1.48998  1    110.47994  1     48.83403  1    97  93  92   -0.06320
 C       1.40009  1    120.47662  1     85.44736  1    98  97  93   -0.13440
 C       1.39376  1    120.28077  1    182.76035  1    99  98  97   -0.12160
 C       1.39502  1    120.17070  1    359.32445  1   100  99  98   -0.13150
 C       1.39414  1    119.79806  1    359.82764  1   101 100  99   -0.13660
 C       1.39398  1    120.13186  1      0.64061  1   102 101 100   -0.14020
 H       1.09977  1    119.96901  1    180.99106  1   103 102 101    0.12130
 H       1.09922  1    119.96004  1    181.17795  1   102 101 100    0.12060
 H       1.09957  1    119.98387  1    180.50875  1   101 100  99    0.13250
 H       1.10219  1    119.82664  1    179.99883  1   100  99  98    0.14370
 H       1.10244  1    119.60845  1      2.98771  1    99  98  97    0.14550
 H       1.12364  1    109.68694  1    170.72721  1    97  93  92    0.13730
 H       1.12159  1    109.60089  1    287.48905  1    97  93  92    0.10500
 H       1.12732  1    107.60253  1    189.01534  1    93  92   3    0.12840
 H       1.00255  1    112.17958  1    102.97818  1    92   3   2    0.13990
 H       1.00357  1     60.66464  1      4.25865  1    92   3   2    0.14380
 N      17.89408  0     97.90475  0    267.28960  0     3   2   1   -0.29140
 C       1.43736  0    110.29372  0    222.59590  0   114   3   2   -0.11520
 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   -0.30370
 H       1.10996  1    117.49536  1    162.07152  1   116 115 114    0.11180
 C       1.55151  1    110.03705  1    279.58159  1   115 114   3   -0.17250
 C       1.52270  1    105.33925  1    359.27726  1   119 115 114   -0.17570
 C       1.53712  1    105.92059  1    355.97347  1   120 119 115   -0.09060
 H       1.12262  1    110.79707  1    130.90403  1   121 120 119    0.08470
 H       1.12443  1    110.14011  1    249.97347  1   121 120 119    0.07020
 H       1.11803  1    110.68405  1    116.04809  1   120 119 115    0.11020
 H       1.11626  1    111.18400  1    235.72926  1   120 119 115    0.07680
 H       1.12263  1    112.38196  1    120.62028  1   119 115 114    0.16080
 H       1.11654  1    109.73863  1    239.53613  1   119 115 114    0.08790
 H       1.13351  1    106.61102  1    162.34655  1   115 114   3    0.09350
 H       1.00625  1     33.36120  1    321.80563  1   114   3   2    0.16820
 N      17.12834  0    109.64320  0    254.84939  0     3   2   1   -0.35040
 C       1.45843  0     53.82819  0    185.26230  0   130   3   2   -0.06980
 C       1.54573  0    115.39702  0    325.30114  0   131 130   3    0.17910
 O       1.21650  0    121.78862  0    193.10814  0   132 131 130   -0.30780
 H       1.11459  1    116.16466  1     14.15837  1   132 131 130    0.07670
 C       1.53321  1    113.32370  1    196.50936  1   131 130   3   -0.22390
 C       1.53505  1    116.80121  1     35.80482  1   135 131 130    0.33340
 O       1.26995  1    120.17289  1     26.46784  1   136 135 131   -0.61260
 O       1.26463  1    117.18556  1    206.25318  1   136 135 131   -0.57910
 H       1.12042  1    108.85485  1    157.48807  1   135 131 130    0.10040
 H       1.12019  1    108.24842  1    274.44889  1   135 131 130    0.07390
 H       1.13607  1    105.61673  1     78.87280  1   131 130   3    0.07990
 H       1.00624  1    134.22894  1    101.36826  1   130   3   2    0.18190
 H       1.00383  1     56.34458  1     17.99091  1   130   3   2    0.12050
 N      12.50007  0     97.91996  0    261.63373  0     3   2   1   -0.33590
 C       1.44534  0     57.31406  0    322.50817  0   144   3   2   -0.08610
 C       1.53835  0    116.53274  0    230.26398  0   145 144   3    0.19580
 O       1.24316  0    120.46732  0    146.99107  0   146 145 144   -0.30760
 H       1.10856  1    117.18086  1    325.51788  1   146 145 144    0.09910
 C       1.55275  1    113.70493  1    106.59749  1   145 144   3   -0.16430
 C       1.48778  1    113.70588  1    184.74246  1   149 145 144   -0.07610
 C       1.40093  1    120.57946  1     69.97319  1   150 149 145   -0.13050
 C       1.39434  1    120.48104  1    178.88922  1   151 150 149   -0.12520
 C       1.39535  1    120.08185  1      0.55091  1   152 151 150   -0.14300
 C       1.39469  1    119.72452  1    358.76974  1   153 152 151   -0.13700
 C       1.39369  1    120.24070  1      0.49307  1   154 153 152   -0.13630
 H       1.09964  1    119.86015  1    180.47658  1   155 154 153    0.11940
 H       1.09911  1    119.91995  1    180.69543  1   154 153 152    0.11710
 H       1.10244  1    119.82858  1    179.16578  1   153 152 151    0.14400
 H       1.10724  1    119.80738  1    181.62525  1   152 151 150    0.17130
 H       1.10221  1    119.97323  1    358.43180  1   151 150 149    0.14670
 H       1.12572  1    107.92159  1    305.05535  1   149 145 144    0.09790
 H       1.12361  1    109.15681  1     60.94113  1   149 145 144    0.10140
 H       1.13565  1    106.17696  1    349.32540  1   145 144   3    0.12520
 H       1.00154  1     74.73869  1     89.65365  1   144   3   2    0.17190
 H       1.00207  1    168.04892  1    339.08586  1   144   3   2    0.15000
 N      10.94337  0    106.51163  0    240.89105  0     3   2   1   -0.34140
 C       1.46213  0     14.86456  0    265.09140  0   166   3   2   -0.09220
 C       1.54890  0    109.51012  0    131.27165  0   167 166   3    0.22220
 O       1.23101  0    125.00583  0    126.76891  0   168 167 166   -0.33680
 H       1.11412  1    113.70605  1    304.84285  1   168 167 166    0.09860
 C       1.54724  1    110.65613  1     12.00977  1   167 166   3   -0.11750
 C       1.46211  1    118.61010  1    162.78130  1   171 167 166   -0.22350
 C       1.40591  1    125.86056  1    255.72416  1   172 171 167   -0.08020
 N       1.38725  1    111.07067  1    190.03607  1   173 172 171   -0.19550
 C       1.39776  1    107.42358  1      2.36752  1   174 173 172   -0.01920
 C       1.44985  1    108.81148  1    357.45151  1   175 174 173   -0.06760
 C       1.39607  1    119.70466  1    179.41536  1   176 175 174   -0.11960
 C       1.38478  1    119.11423  1    359.59587  1   177 176 175   -0.15500
 C       1.40710  1    121.09561  1      0.11358  1   178 177 176   -0.15050
 C       1.38426  1    121.59031  1      0.39799  1   179 178 177   -0.11540
 H       1.10024  1    120.58397  1    180.20815  1   180 179 178    0.15120
 H       1.10260  1    119.78576  1    182.23729  1   179 178 177    0.13830
 H       1.09960  1    119.81986  1    181.74700  1   178 177 176    0.11030
 H       1.09953  1    119.97167  1    181.65499  1   177 176 175    0.12820
 H       1.03823  1    124.25715  1    164.80117  1   174 173 172    0.32370
 H       1.09435  1    128.51505  1      9.40434  1   173 172 171    0.16320
 H       1.12666  1    106.95408  1    285.58314  1   171 167 166    0.10330
 H       1.12992  1    107.90682  1     40.57861  1   171 167 166    0.08550
 H       1.12476  1    108.91234  1    250.85761  1   167 166   3    0.11260
 H       1.00271  1     99.32551  1    132.88270  1   166   3   2    0.15760
 H       1.00418  1    103.91321  1     20.81784  1   166   3   2    0.14840
 N      10.01719  0    101.54687  0    205.40459  0     3   2   1   -0.33410
 C       1.44716  0     60.44593  0    312.77637  0   192   3   2   -0.06500
 C       1.51484  0    114.54894  0    162.40538  0   193 192   3    0.32220
 O       1.23614  0    116.70478  0    115.46584  0   194 193 192   -0.39350
 N       1.35879  0    120.55811  0    294.85307  0   194 193 192   -0.36880
 C       1.46169  0    117.94215  0    183.10701  0   196 194 193   -0.04710
 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   -0.31750
 H       1.10893  1    119.04440  1    356.33909  1   198 197 196    0.10420
 C       1.55397  1    111.13844  1    154.32365  1   197 196 194   -0.11040
 C       1.51226  1    111.34709  1    298.88433  1   201 197 196   -0.21010
 H       1.11732  1    111.55390  1     69.33278  1   202 201 197    0.08600
 H       1.11722  1    109.76286  1    189.01982  1   202 201 197    0.07430
 H       1.11679  1    110.55665  1    308.76136  1   202 201 197    0.08620
 C       1.51264  1    111.97378  1     63.73764  1   201 197 196   -0.21440
 H       1.11700  1    110.43209  1     48.64374  1   206 201 197    0.06740
 H       1.11726  1    109.78199  1    168.30851  1   206 201 197    0.07700
 H       1.11681  1    111.61970  1    287.71242  1   206 201 197    0.08170
 H       1.12916  1    105.79681  1    181.66104  1   201 197 196    0.10540
 H       1.14254  1    105.46242  1     38.98315  1   197 196 194    0.14130
 H       0.98853  1    122.49262  1      3.05676  1   196 194 193    0.24630
 C       1.54206  1    116.37608  1     34.20018  1   193 192   3   -0.19470
 C       1.52286  1    112.17108  1    273.92453  1   213 193 192   -0.10530
 C       1.51626  1    110.09586  1    167.07103  1   214 213 193   -0.22820
 H       1.11980  1    110.98243  1     67.29374  1   215 214 213    0.11040
 H       1.11767  1    110.04865  1    186.21823  1   215 214 213    0.08360
 H       1.11664  1    110.79042  1    305.76183  1   215 214 213    0.08480
 C       1.51555  1    111.92594  1    288.66575  1   214 213 193   -0.20640
 H       1.11588  1    111.55263  1     63.19750  1   219 214 213    0.05040
 H       1.11715  1    109.71341  1    183.25293  1   219 214 213    0.07850
 H       1.11725  1    110.39310  1    302.24952  1   219 214 213    0.09080
 H       1.12930  1    108.28864  1     48.75594  1   214 213 193    0.07880
 H       1.12307  1    109.87813  1     35.41096  1   213 193 192    0.09410
 H       1.12173  1    109.67019  1    153.16491  1   213 193 192    0.09470
 H       1.13991  1    105.32822  1    275.80511  1   193 192   3    0.13030
 H       1.00591  1     58.79307  1    171.52517  1   192   3   2    0.16280
 H       1.00487  1     94.51567  1     63.97405  1   192   3   2    0.14600
 N      11.18833  0    145.22708  0    179.37926  0     3   2   1   -0.32730
 C       1.47538  0     38.91567  0     92.42374  0   229   3   2   -0.11160
 C       1.53156  0    110.85889  0     76.62987  0   230 229   3    0.20280
 O       1.23608  0    120.93801  0    131.97322  0   231 230 229   -0.28460
 H       1.10947  1    116.61096  1    310.74156  1   231 230 229    0.09030
 C       1.54305  1    114.12785  1    314.71434  1   230 229   3   -0.14310
 C       1.48753  1    112.46995  1    213.21832  1   234 230 229   -0.09870
 C       1.39888  1    120.38025  1    248.48597  1   235 234 230   -0.11920
 C       1.39509  1    120.23683  1    181.81470  1   236 235 234   -0.11940
 C       1.39520  1    120.13570  1      0.34500  1   237 236 235   -0.14320
 C       1.39580  1    119.81162  1    359.74217  1   238 237 236   -0.13790
 C       1.39317  1    120.13509  1    359.86883  1   239 238 237   -0.13220
 H       1.09936  1    119.99861  1    180.00931  1   240 239 238    0.11410
 H       1.10020  1    119.90585  1    179.58793  1   239 238 237    0.13380
 H       1.10537  1    119.73942  1    178.86290  1   238 237 236    0.17260
 H       1.10670  1    119.92551  1    180.61754  1   237 236 235    0.17780
 H       1.10053  1    120.26365  1      1.22582  1   236 235 234    0.13700
 H       1.12483  1    109.58182  1    333.54442  1   234 230 229    0.08360
 H       1.12277  1    109.49792  1     90.34298  1   234 230 229    0.09040
 H       1.13072  1    106.76306  1    194.25485  1   230 229   3    0.14070
 H       1.00136  1    117.08484  1      5.71319  1   229   3   2    0.14540
 H       1.00166  1     71.29016  1    263.98030  1   229   3   2    0.13110
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32190
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11560
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19310
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.29940
 H       1.11130  1    116.74135  1    347.92481  1   253 252 251    0.08040
 C       1.53914  1    115.68524  1    337.69064  1   252 251   3   -0.10230
 C       1.46953  1    109.11924  1    292.08053  1   256 252 251   -0.17220
 C       1.39135  1    127.44448  1    104.39077  1   257 256 252   -0.07450
 N       1.40288  1    110.57477  1    185.33147  1   258 257 256   -0.20490
 C       1.40680  1    107.60418  1    355.22627  1   259 258 257   -0.02630
 C       1.44420  1    108.25024  1      4.45846  1   260 259 258   -0.07120
 C       1.39454  1    119.56985  1    177.24949  1   261 260 259   -0.09530
 C       1.38790  1    118.84239  1    359.72293  1   262 261 260   -0.14160
 C       1.40566  1    121.37315  1      0.07370  1   263 262 261   -0.10300
 C       1.38832  1    121.47554  1      0.15806  1   264 263 262   -0.15700
 H       1.09824  1    121.18344  1    179.50487  1   265 264 263    0.13230
 H       1.10415  1    118.54659  1    180.21448  1   264 263 262    0.15980
 H       1.10084  1    119.87352  1    179.29175  1   263 262 261    0.14350
 H       1.09984  1    120.13382  1    179.07396  1   262 261 260    0.13770
 H       0.99032  1    122.46320  1    204.01076  1   259 258 257    0.23910
 H       1.09408  1    129.20675  1      2.44654  1   258 257 256    0.16720
 H       1.12142  1    110.54811  1     54.05257  1   256 252 251    0.08090
 H       1.12416  1    108.53839  1    172.51087  1   256 252 251    0.11880
 H       1.14194  1    105.15320  1    221.49871  1   252 251   3    0.13300
 H       1.00490  1     89.71868  1    321.32051  1   251   3   2    0.16670
 H       1.00392  1     60.70665  1    211.13402  1   251   3   2    0.12890
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34260
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04240
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.33230
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41580
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.30450
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.04110
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19620
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.33350
 H       1.11060  1    116.99963  1    314.95825  1   283 282 281    0.08510
 C       1.54286  1    107.48029  1    182.67394  1   282 281 279   -0.15400
 C       1.52570  1    105.73143  1    351.08513  1   286 282 281   -0.16630
 C       1.53937  1    106.63287  1     11.20688  1   287 286 282   -0.04200
 H       1.12554  1    109.49350  1    109.11224  1   288 287 286    0.06290
 H       1.13322  1    111.10795  1    229.25052  1   288 287 286    0.18150
 H       1.11699  1    111.47407  1    131.84095  1   287 286 282    0.06830
 H       1.12002  1    110.60533  1    251.97237  1   287 286 282    0.12120
 H       1.11747  1    110.84342  1    111.64344  1   286 282 281    0.06280
 H       1.11784  1    109.54705  1    231.10135  1   286 282 281    0.11290
 H       1.13757  1    109.25723  1     63.35172  1   282 281 279    0.16980
 C       1.54524  1    115.14853  1    333.23713  1   278 277   3   -0.19130
 C       1.48952  1    111.07597  1    303.74879  1   296 278 277   -0.06920
 C       1.40083  1    120.65283  1    299.35626  1   297 296 278   -0.14080
 C       1.39365  1    120.42028  1    180.18010  1   298 297 296   -0.15280
 C       1.39453  1    120.05076  1      0.37459  1   299 298 297   -0.16190
 C       1.39437  1    119.76319  1      0.29101  1   300 299 298   -0.13790
 C       1.39489  1    120.49050  1    359.45986  1   301 300 299   -0.10100
 H       1.11391  1    120.17119  1    178.74991  1   302 301 300    0.21930
 H       1.09965  1    120.24690  1    178.76116  1   301 300 299    0.12700
 H       1.09831  1    120.01455  1    179.62156  1   300 299 298    0.10170
 H       1.09851  1    119.81329  1    179.72288  1   299 298 297    0.10500
 H       1.10044  1    119.69422  1    359.07866  1   298 297 296    0.13240
 H       1.12950  1    110.24288  1     65.79783  1   296 278 277    0.16310
 H       1.12104  1    108.40254  1    183.76548  1   296 278 277    0.11800
 H       1.14066  1    105.94653  1    215.75860  1   278 277   3    0.11200
 H       1.00464  1     97.41757  1    302.43241  1   277   3   2    0.14850
 H       1.00549  1     60.71803  1    196.17373  1   277   3   2    0.15370
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.33810
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09330
 C       1.53380  0    108.58586  0    148.98325  0   314 313   3    0.20050
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.32250
 H       1.11526  1    115.08116  1    317.16937  1   315 314 313    0.08270
 C       1.54341  1    117.55393  1     27.00497  1   314 313   3   -0.13590
 C       1.51564  1    109.98014  1    189.07840  1   318 314 313   -0.21180
 H       1.11736  1    110.32349  1     66.98413  1   319 318 314    0.06950
 H       1.11764  1    109.95394  1    186.32335  1   319 318 314    0.07960
 H       1.11675  1    111.04847  1    306.62445  1   319 318 314    0.07190
 C       1.51212  1    111.56430  1    310.86358  1   318 314 313   -0.22820
 H       1.11988  1    111.23475  1     71.32706  1   323 318 314    0.10140
 H       1.12022  1    110.34945  1    189.93056  1   323 318 314    0.10930
 H       1.11752  1    110.72398  1    310.09399  1   323 318 314    0.06980
 H       1.12787  1    108.28118  1     69.87140  1   318 314 313    0.10070
 H       1.12993  1    106.23642  1    266.25904  1   314 313   3    0.11860
 H       1.00346  1     20.14564  1    344.84294  1   313   3   2    0.17510
 H       1.00271  1    101.39873  1    233.97171  1   313   3   2    0.14430
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.32500
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.08150
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.14280
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33420
 H       1.11048  1    115.55509  1    133.09109  1   333 332 331    0.11760
 C       1.53052  1    109.30948  1     59.33549  1   332 331   3   -0.19870
 C       1.51084  1    115.27313  1    186.83755  1   336 332 331    0.30620
 O       1.26791  1    122.45590  1     18.09079  1   337 336 332   -0.59190
 O       1.27366  1    117.21599  1    196.77129  1   337 336 332   -0.59270
 H       1.12377  1    108.80962  1    306.12486  1   336 332 331    0.11490
 H       1.12154  1    109.81856  1     64.20783  1   336 332 331    0.08500
 H       1.12751  1    109.53671  1    299.99382  1   332 331   3    0.14510
 H       1.00302  1    119.98790  1     29.88902  1   331   3   2    0.13760
 H       1.00198  1    127.95873  1    234.53784  1   331   3   2    0.12220
 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   -0.02730
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.27930
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.42070
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36820
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04140
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19600
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29660
 H       1.10276  1    120.65275  1     53.61362  1   351 350 349    0.11050
 C       1.54946  1    109.79623  1    113.64535  1   350 349 347   -0.16030
 C       1.52065  1    113.78165  1    294.71772  1   354 350 349   -0.11000
 C       1.51702  1    109.30558  1    167.39707  1   355 354 350   -0.20660
 H       1.11650  1    110.56480  1     55.49051  1   356 355 354    0.06180
 H       1.11768  1    110.63176  1    175.53052  1   356 355 354    0.06640
 H       1.11727  1    110.32705  1    295.54593  1   356 355 354    0.08240
 C       1.51458  1    111.47188  1    289.35563  1   355 354 350   -0.21220
 H       1.11744  1    110.41884  1     64.44721  1   360 355 354    0.08460
 H       1.11795  1    110.36362  1    183.71340  1   360 355 354    0.06860
 H       1.11658  1    110.70710  1    303.82834  1   360 355 354    0.05300
 H       1.12718  1    109.72936  1     49.07941  1   355 354 350    0.09920
 H       1.12349  1    108.21738  1     57.72142  1   354 350 349    0.12450
 H       1.12141  1    108.84558  1    174.00381  1   354 350 349    0.08490
 H       1.14004  1    106.40272  1    358.09525  1   350 349 347    0.10760
 H       1.00287  1    121.55177  1    359.86177  1   349 347 346    0.28430
 C       1.53862  1    113.72408  1    354.39088  1   346 345   3   -0.17630
 C       1.52170  1    113.96596  1    303.13207  1   369 346 345   -0.09800
 C       1.51832  1    112.75034  1     83.88090  1   370 369 346   -0.22050
 H       1.11924  1    111.66330  1     25.45401  1   371 370 369    0.10820
 H       1.11759  1    110.39184  1    145.84426  1   371 370 369    0.07150
 H       1.11702  1    110.52791  1    265.02405  1   371 370 369    0.08380
 C       1.51700  1    109.25371  1    206.37142  1   370 369 346   -0.21100
 H       1.11788  1    110.65761  1     50.80927  1   375 370 369    0.05430
 H       1.11853  1    110.48008  1    171.19450  1   375 370 369    0.07500
 H       1.11710  1    110.38856  1    290.84621  1   375 370 369    0.08700
 H       1.12375  1    108.30770  1    324.47559  1   370 369 346    0.07700
 H       1.12321  1    110.39991  1     65.16556  1   369 346 345    0.10270
 H       1.12334  1    106.98139  1    181.71464  1   369 346 345    0.08100
 H       1.13144  1    106.76000  1    234.29798  1   346 345   3    0.10880
 H       1.00581  1     43.50663  1    154.75751  1   345   3   2    0.20100
 H       1.00060  1    139.00565  1     93.99119  1   345   3   2    0.13860
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34850
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.05860
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27920
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.36970
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.36030
 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    0.17960
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31240
 H       1.10941  1    115.95611  1     81.72602  1   391 390 389    0.10710
 C       1.53279  1    113.70122  1    146.94446  1   390 389 387   -0.12890
 C       1.48700  1    113.61588  1    304.73451  1   394 390 389   -0.09720
 C       1.40027  1    121.29316  1    309.82398  1   395 394 390   -0.13010
 C       1.39506  1    120.58612  1    179.79718  1   396 395 394   -0.10420
 C       1.39564  1    119.76294  1      0.19021  1   397 396 395   -0.11640
 C       1.39432  1    120.00316  1      0.26342  1   398 397 396   -0.15180
 C       1.39361  1    120.19683  1    359.52788  1   399 398 397   -0.14240
 H       1.09953  1    119.83798  1    180.79957  1   400 399 398    0.11720
 H       1.09971  1    119.99334  1    180.75371  1   399 398 397    0.11740
 H       1.10145  1    119.65001  1    181.56218  1   398 397 396    0.14470
 H       1.11021  1    120.49561  1    181.16286  1   397 396 395    0.19700
 H       1.10073  1    120.11212  1      0.65812  1   396 395 394    0.13680
 H       1.12391  1    108.93659  1     68.11961  1   394 390 389    0.10020
 H       1.12366  1    107.18100  1    183.77220  1   394 390 389    0.09430
 H       1.13401  1    107.74655  1     25.87926  1   390 389 387    0.13580
 H       0.99680  1    121.66223  1    346.67503  1   389 387 386    0.23700
 C       1.53765  1    110.45298  1    312.99215  1   386 385   3   -0.08350
 C       1.47099  1    110.82489  1    187.63887  1   410 386 385   -0.12680
 N       1.39574  1    124.28553  1     85.34722  1   411 410 386   -0.15160
 C       1.38956  1    106.68567  1    183.31045  1   412 411 410   -0.10910
 N       1.35636  1    111.52336  1    358.88542  1   413 412 411   -0.18520
 C       1.38600  1    105.91351  1      0.28873  1   414 413 412   -0.19480
 H       1.09039  1    122.02637  1    181.28149  1   415 414 413    0.16880
 H       1.09374  1    123.17800  1    179.74903  1   413 412 411    0.18950
 H       1.00215  1    125.09804  1    357.07213  1   412 411 410    0.31070
 H       1.13020  1    107.94549  1    307.92655  1   410 386 385    0.14930
 H       1.12146  1    110.49102  1     66.44185  1   410 386 385    0.08270
 H       1.13340  1    106.70768  1    195.44777  1   386 385   3    0.16690
 H       0.99877  1     71.07347  1    196.03279  1   385   3   2    0.14270
 H       0.99761  1    123.81103  1     93.76132  1   385   3   2    0.14000
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.41940
 H       0.96455  1     62.67655  1    300.08318  1   424   3   2    0.21520
 H       0.96012  1    164.33563  1    275.31405  1   424   3   2    0.19860

