


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.34830
 C       1.43541  0      0.00000  0      0.00000  0     1   0   0   -0.08860
 C       1.51361  0    105.85431  0      0.00000  0     2   1   0    0.17550
 O       1.21823  0    118.28448  0    316.65614  0     3   2   1   -0.28980
 H       1.10949  1    117.85574  1    136.63578  1     3   2   1    0.08340
 C       1.53919  1    108.75569  1     82.94871  1     2   3   4   -0.16230
 C       1.51148  1    112.91495  1     58.14164  1     6   2   3   -0.22230
 C       1.52817  1    113.54890  1     76.65446  1     7   6   2    0.32810
 O       1.26416  1    120.27250  1    296.40982  1     8   7   6   -0.57060
 O       1.27466  1    118.28553  1    117.25450  1     8   7   6   -0.63300
 H       1.12284  1    109.00454  1    197.50267  1     7   6   2    0.06080
 H       1.12086  1    110.38329  1    315.00700  1     7   6   2    0.06530
 H       1.12182  1    108.56175  1    179.54588  1     6   2   3    0.08150
 H       1.12439  1    108.66658  1    295.91725  1     6   2   3    0.08230
 H       1.13383  1    109.69245  1    199.39955  1     2   3   4    0.13820
 H       1.00445  1    109.70627  1    162.74356  1     1   2   3    0.14060
 H       1.00997  1    111.68450  1     44.85809  1     1   2   3    0.18320
 N       7.96014  0     75.09678  0    335.36568  0     3   2   1   -0.34600
 C       1.43306  0     42.93610  0    322.43062  0    18   3   2   -0.05690
 C       1.48866  0    114.42599  0    125.51033  0    19  18   3    0.33390
 O       1.22130  0    115.93694  0     35.03719  0    20  19  18   -0.44630
 N       1.33108  0    117.44794  0    215.43053  0    20  19  18   -0.36530
 C       1.45235  0    123.47707  0    179.52223  0    22  20  19   -0.01990
 C       1.53754  0    111.92080  0    301.14966  0    23  22  20    0.18320
 O       1.25976  0    125.74037  0    157.66496  0    24  23  22   -0.35460
 H       1.11395  1    115.30246  1    337.73933  1    24  23  22    0.09800
 C       1.54174  1    114.14010  1    178.41088  1    23  22  20   -0.07620
 C       1.46540  1    110.63797  1    268.74523  1    27  23  22   -0.20360
 C       1.39953  1    126.15846  1     82.81563  1    28  27  23   -0.01090
 N       1.39273  1    109.85694  1    181.10704  1    29  28  27   -0.20850
 C       1.39821  1    108.61892  1    359.50715  1    30  29  28   -0.01510
 C       1.44938  1    108.00753  1      0.81228  1    31  30  29   -0.06890
 C       1.39533  1    119.31256  1    179.47205  1    32  31  30   -0.10170
 C       1.38711  1    119.08134  1      0.06786  1    33  32  31   -0.17070
 C       1.40603  1    121.26044  1      0.41531  1    34  33  32   -0.14250
 C       1.38646  1    121.60414  1    359.74733  1    35  34  33   -0.12670
 H       1.10035  1    121.55698  1    177.99859  1    36  35  34    0.15180
 H       1.09938  1    119.16119  1    179.64196  1    35  34  33    0.11300
 H       1.09879  1    119.74069  1    180.28404  1    34  33  32    0.10430
 H       1.09917  1    119.87870  1    180.10521  1    33  32  31    0.12630
 H       0.98877  1    126.03301  1    180.61789  1    30  29  28    0.26420
 H       1.10415  1    128.02081  1      0.77663  1    29  28  27    0.22880
 H       1.12465  1    110.70540  1     31.11777  1    27  23  22    0.11470
 H       1.12410  1    108.21259  1    149.00253  1    27  23  22    0.08900
 H       1.13483  1    107.99379  1     57.69474  1    23  22  20    0.11940
 H       1.00704  1    122.22964  1    359.29885  1    22  20  19    0.29710
 C       1.53573  1    114.40173  1    346.93428  1    19  18   3   -0.21010
 C       1.53267  1    110.36564  1    204.88910  1    47  19  18    0.30970
 O       1.28177  1    118.28221  1    254.04908  1    48  47  19   -0.64270
 O       1.26420  1    122.88186  1     74.30215  1    48  47  19   -0.54200
 C       2.31584  0    117.67802  1    191.43360  1    50  48  47   -0.00270
 H       1.11238  1     66.93874  1      5.87071  1    51  50  48    0.16520
 H       1.11327  1     68.87780  1    238.13325  1    51  50  48    0.13620
Cl       1.84228  1    160.65865  1    306.81892  1    51  50  48   -0.33930
 C       1.50348  1     90.27475  1    122.91314  1    51  50  48   -0.17620
 H       1.12768  1    106.22720  1      1.11636  1    55  51  50    0.14120
 H       1.12202  1    110.63826  1    244.75225  1    55  51  50    0.06900
 C       1.51491  1    112.96725  1    121.43563  1    55  51  50   -0.16760
 H       1.12376  1    109.40370  1    324.18145  1    58  55  51    0.09280
 C       1.50541  1    111.65081  1    203.13947  1    58  55  51   -0.21550
 H       1.11739  1    110.84991  1    301.33128  1    60  58  55    0.05730
 H       1.11823  1    110.57382  1    181.22804  1    60  58  55    0.06120
 H       1.11893  1    110.50856  1     61.25403  1    60  58  55    0.08960
 H       1.12336  1    109.68945  1     81.28374  1    58  55  51    0.06800
 H       1.12040  1    109.46113  1    323.52420  1    47  19  18    0.12990
 H       1.11778  1    111.91599  1     82.54282  1    47  19  18    0.08930
 H       1.16229  1    107.50788  1    235.46426  1    19  18   3    0.08010
 H       1.00191  1    152.49582  1    334.52943  1    18   3   2    0.14970
 H       1.00199  1     88.41183  1    201.30941  1    18   3   2    0.16320
 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   -0.09940
 C       1.54617  0    110.48582  0    112.74304  0    71  70   3    0.20140
 O       1.23698  0    121.33134  0    141.68350  0    72  71  70   -0.33000
 H       1.11018  1    116.39285  1    320.30247  1    72  71  70    0.10400
 C       1.52989  1    116.52237  1    350.40206  1    71  70   3   -0.15220
 C       1.48860  1    115.27140  1    283.90092  1    75  71  70   -0.06600
 C       1.39726  1    123.97258  1    356.54906  1    76  75  71   -0.12730
 C       1.39598  1    120.40842  1    180.37988  1    77  76  75   -0.13480
 C       1.39237  1    120.40694  1    359.91325  1    78  77  76   -0.12970
 C       1.39602  1    119.60286  1    359.83394  1    79  78  77   -0.12750
 C       1.39155  1    120.09567  1      0.38031  1    80  79  78   -0.12990
 H       1.10163  1    119.81159  1    180.93088  1    81  80  79    0.14530
 H       1.10192  1    120.00296  1    181.28256  1    80  79  78    0.13610
 H       1.10025  1    120.18332  1    181.30962  1    79  78  77    0.13250
 H       1.09978  1    119.71960  1    181.11651  1    78  77  76    0.12540
 H       1.09956  1    121.11376  1      1.35973  1    77  76  75    0.13080
 H       1.12607  1    109.21344  1     46.94376  1    75  71  70    0.11180
 H       1.12610  1    108.24120  1    162.97358  1    75  71  70    0.09470
 H       1.12904  1    106.59309  1    228.52692  1    71  70   3    0.11440
 H       1.00562  1     61.35123  1    217.30372  1    70   3   2    0.17970
 H       1.00435  1     48.84383  1     57.44229  1    70   3   2    0.15070
 N      16.98887  0     78.77108  0    276.65240  0     3   2   1   -0.32920
 C       1.47352  0     50.04108  0    198.47436  0    92   3   2   -0.09820
 C       1.54084  0    112.94709  0     70.56927  0    93  92   3    0.19120
 O       1.24033  0    121.30901  0    176.74567  0    94  93  92   -0.29960
 H       1.11045  1    117.16200  1    356.67242  1    94  93  92    0.09500
 C       1.54648  1    112.66635  1    309.53195  1    93  92   3   -0.15530
 C       1.49047  1    110.72102  1     51.09638  1    97  93  92   -0.06500
 C       1.40018  1    120.46067  1     86.68219  1    98  97  93   -0.13250
 C       1.39351  1    120.43697  1    181.29711  1    99  98  97   -0.11400
 C       1.39576  1    120.08582  1    359.85729  1   100  99  98   -0.14470
 C       1.39492  1    119.80155  1    359.53905  1   101 100  99   -0.12400
 C       1.39403  1    120.17995  1      0.36236  1   102 101 100   -0.14440
 H       1.09956  1    119.78872  1    181.89509  1   103 102 101    0.12070
 H       1.09923  1    119.85294  1    181.34006  1   102 101 100    0.12060
 H       1.09957  1    119.94279  1    180.52629  1   101 100  99    0.13460
 H       1.10188  1    119.94750  1    180.86015  1   100  99  98    0.14230
 H       1.10246  1    119.51839  1      2.29233  1    99  98  97    0.14310
 H       1.12374  1    109.53891  1    172.98015  1    97  93  92    0.13920
 H       1.12193  1    109.62653  1    289.73271  1    97  93  92    0.10920
 H       1.12696  1    107.20414  1    189.36791  1    93  92   3    0.13180
 H       1.00410  1     97.91290  1     90.95954  1    92   3   2    0.14430
 H       1.00276  1     66.95207  1    345.07665  1    92   3   2    0.13590
 N      17.89408  0     97.90475  0    267.28960  0     3   2   1   -0.29240
 C       1.43736  0    110.29372  0    222.59590  0   114   3   2   -0.11300
 C       1.49667  0    113.30282  0     44.24659  0   115 114   3    0.18360
 O       1.21152  0    117.76296  0    341.83825  0   116 115 114   -0.30560
 H       1.11000  1    117.51622  1    162.03926  1   116 115 114    0.11110
 C       1.55170  1    110.03300  1    279.62301  1   115 114   3   -0.17410
 C       1.52259  1    105.35424  1    359.39341  1   119 115 114   -0.17310
 C       1.53727  1    105.90733  1    355.88150  1   120 119 115   -0.09120
 H       1.12260  1    110.79204  1    130.94683  1   121 120 119    0.08560
 H       1.12439  1    110.14172  1    250.00542  1   121 120 119    0.07070
 H       1.11800  1    110.71203  1    115.95171  1   120 119 115    0.10960
 H       1.11627  1    111.18564  1    235.64971  1   120 119 115    0.07690
 H       1.12262  1    112.39884  1    120.79355  1   119 115 114    0.16070
 H       1.11659  1    109.70501  1    239.66973  1   119 115 114    0.08830
 H       1.13344  1    106.63476  1    162.35596  1   115 114   3    0.09300
 H       1.00615  1     33.50776  1    321.85887  1   114   3   2    0.16840
 N      17.12834  0    109.64320  0    254.84939  0     3   2   1   -0.35300
 C       1.45843  0     53.82819  0    185.26230  0   130   3   2   -0.06800
 C       1.54573  0    115.39702  0    325.30114  0   131 130   3    0.18070
 O       1.21650  0    121.78862  0    193.10814  0   132 131 130   -0.30790
 H       1.11456  1    116.16875  1     14.09490  1   132 131 130    0.07560
 C       1.53319  1    113.36521  1    196.40874  1   131 130   3   -0.22400
 C       1.53536  1    116.86524  1     35.06533  1   135 131 130    0.33320
 O       1.26972  1    120.19334  1     26.86303  1   136 135 131   -0.60990
 O       1.26467  1    117.12893  1    206.64223  1   136 135 131   -0.57960
 H       1.12041  1    108.87344  1    156.77292  1   135 131 130    0.10040
 H       1.12021  1    108.21905  1    273.72695  1   135 131 130    0.07260
 H       1.13620  1    105.56324  1     78.76911  1   131 130   3    0.07820
 H       1.00623  1    134.81883  1    101.76930  1   130   3   2    0.18290
 H       1.00377  1     56.47797  1     18.69906  1   130   3   2    0.12080
 N      12.50007  0     97.91996  0    261.63373  0     3   2   1   -0.33780
 C       1.44534  0     57.31406  0    322.50817  0   144   3   2   -0.08330
 C       1.53835  0    116.53274  0    230.26398  0   145 144   3    0.19660
 O       1.24316  0    120.46732  0    146.99107  0   146 145 144   -0.31280
 H       1.10866  1    117.18397  1    325.28334  1   146 145 144    0.09970
 C       1.55364  1    113.13509  1    107.35073  1   145 144   3   -0.16740
 C       1.48632  1    114.03897  1    182.54299  1   149 145 144   -0.07240
 C       1.40076  1    120.57091  1     69.82758  1   150 149 145   -0.12030
 C       1.39391  1    120.38640  1    179.14122  1   151 150 149   -0.12130
 C       1.39521  1    120.18921  1      0.37221  1   152 151 150   -0.14730
 C       1.39449  1    119.72692  1    359.24895  1   153 152 151   -0.13580
 C       1.39376  1    120.19249  1      0.34173  1   154 153 152   -0.12980
 H       1.09978  1    119.85318  1    180.24557  1   155 154 153    0.12080
 H       1.09908  1    119.92464  1    180.42081  1   154 153 152    0.11710
 H       1.10185  1    119.92946  1    179.48201  1   153 152 151    0.13720
 H       1.10236  1    119.55270  1    181.20312  1   152 151 150    0.14440
 H       1.10267  1    120.00815  1    359.18988  1   151 150 149    0.15260
 H       1.12581  1    107.88375  1    303.04954  1   149 145 144    0.10270
 H       1.12409  1    109.01987  1     58.88255  1   149 145 144    0.10340
 H       1.13539  1    106.38554  1    349.74519  1   145 144   3    0.12540
 H       1.00156  1     75.68979  1     88.53165  1   144   3   2    0.17530
 H       1.00169  1    168.50388  1    330.41137  1   144   3   2    0.15160
 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   -0.08910
 C       1.54890  0    109.51012  0    131.27165  0   167 166   3    0.21610
 O       1.23101  0    125.00583  0    126.76891  0   168 167 166   -0.33600
 H       1.11455  1    113.78750  1    305.03740  1   168 167 166    0.09680
 C       1.54445  1    111.27089  1     11.69285  1   167 166   3   -0.12670
 C       1.46354  1    118.24996  1    174.55944  1   171 167 166   -0.18420
 C       1.39842  1    126.85366  1    276.14753  1   172 171 167   -0.08080
 N       1.39492  1    110.50776  1    188.98268  1   173 172 171   -0.19340
 C       1.40120  1    107.95370  1      3.64932  1   174 173 172   -0.00970
 C       1.44470  1    108.26525  1    356.26847  1   175 174 173   -0.07830
 C       1.39656  1    119.21651  1    180.27968  1   176 175 174   -0.11350
 C       1.38653  1    118.91830  1    359.51350  1   177 176 175   -0.13590
 C       1.40687  1    121.44808  1    359.88517  1   178 177 176   -0.11400
 C       1.38555  1    121.51796  1      0.45941  1   179 178 177   -0.13530
 H       1.10241  1    120.68121  1    181.46826  1   180 179 178    0.16150
 H       1.10402  1    119.81828  1    182.52471  1   179 178 177    0.15110
 H       1.10053  1    119.48915  1    180.93074  1   178 177 176    0.12850
 H       1.10066  1    120.36749  1    180.27538  1   177 176 175    0.13770
 H       0.99219  1    124.31478  1    160.56438  1   174 173 172    0.26400
 H       1.09162  1    129.07567  1      9.40241  1   173 172 171    0.15030
 H       1.12757  1    107.41563  1    296.84816  1   171 167 166    0.11050
 H       1.12968  1    107.79300  1     51.96390  1   171 167 166    0.09030
 H       1.12603  1    108.55056  1    250.27650  1   167 166   3    0.11570
 H       1.00287  1     99.65105  1    134.27795  1   166   3   2    0.16060
 H       1.00425  1    103.62545  1     22.16017  1   166   3   2    0.14780
 N      10.01719  0    101.54687  0    205.40459  0     3   2   1   -0.33290
 C       1.44716  0     60.44593  0    312.77637  0   192   3   2   -0.06410
 C       1.51484  0    114.54894  0    162.40538  0   193 192   3    0.31980
 O       1.23614  0    116.70478  0    115.46584  0   194 193 192   -0.38850
 N       1.35879  0    120.55811  0    294.85307  0   194 193 192   -0.37130
 C       1.46169  0    117.94215  0    183.10701  0   196 194 193   -0.04420
 C       1.50738  0    120.92050  0    281.62350  0   197 196 194    0.19600
 O       1.23358  0    117.93172  0    174.66855  0   198 197 196   -0.31710
 H       1.10888  1    119.03727  1    356.40834  1   198 197 196    0.10520
 C       1.55406  1    111.13041  1    154.45006  1   197 196 194   -0.11110
 C       1.51207  1    111.38661  1    299.27136  1   201 197 196   -0.21070
 H       1.11726  1    111.51048  1     69.69060  1   202 201 197    0.08200
 H       1.11727  1    109.77323  1    189.37049  1   202 201 197    0.07430
 H       1.11680  1    110.58557  1    309.13497  1   202 201 197    0.08680
 C       1.51251  1    111.97881  1     64.17406  1   201 197 196   -0.21180
 H       1.11707  1    110.41160  1     49.22767  1   206 201 197    0.06840
 H       1.11724  1    109.80982  1    168.73313  1   206 201 197    0.07710
 H       1.11677  1    111.63174  1    288.21571  1   206 201 197    0.07860
 H       1.12926  1    105.75172  1    182.07040  1   201 197 196    0.10760
 H       1.14239  1    105.45277  1     39.07349  1   197 196 194    0.14130
 H       0.98827  1    122.49517  1      3.74221  1   196 194 193    0.24420
 C       1.54371  1    116.32725  1     34.46144  1   193 192   3   -0.19860
 C       1.52244  1    112.23049  1    268.91688  1   213 193 192   -0.10200
 C       1.51628  1    110.04706  1    168.42039  1   214 213 193   -0.23180
 H       1.12124  1    111.34231  1     72.22488  1   215 214 213    0.12020
 H       1.11766  1    110.02781  1    191.26470  1   215 214 213    0.08480
 H       1.11653  1    110.48336  1    310.62702  1   215 214 213    0.07180
 C       1.51517  1    112.10654  1    290.19065  1   214 213 193   -0.21010
 H       1.11592  1    111.56615  1     64.60633  1   219 214 213    0.05430
 H       1.11723  1    109.65941  1    184.75791  1   219 214 213    0.08330
 H       1.11725  1    110.40698  1    303.66545  1   219 214 213    0.08990
 H       1.12944  1    107.98065  1     50.23750  1   214 213 193    0.07860
 H       1.12223  1    109.63867  1     30.48283  1   213 193 192    0.09170
 H       1.12249  1    109.65549  1    147.99786  1   213 193 192    0.09340
 H       1.13976  1    105.15060  1    275.87288  1   193 192   3    0.13280
 H       1.00558  1     57.63699  1    169.37643  1   192   3   2    0.16410
 H       1.00458  1     96.55930  1     62.89109  1   192   3   2    0.14340
 N      11.18833  0    145.22708  0    179.37926  0     3   2   1   -0.32640
 C       1.47538  0     38.91567  0     92.42374  0   229   3   2   -0.11380
 C       1.53156  0    110.85889  0     76.62987  0   230 229   3    0.20380
 O       1.23608  0    120.93801  0    131.97322  0   231 230 229   -0.28120
 H       1.10936  1    116.57800  1    310.73776  1   231 230 229    0.09080
 C       1.54424  1    113.93173  1    314.07579  1   230 229   3   -0.14210
 C       1.48621  1    112.86602  1    211.73904  1   234 230 229   -0.09560
 C       1.39895  1    120.18094  1    244.86348  1   235 234 230   -0.11790
 C       1.39629  1    120.27873  1    184.08389  1   236 235 234   -0.11690
 C       1.39540  1    120.12127  1    358.89497  1   237 236 235   -0.14450
 C       1.39610  1    119.79637  1    359.87006  1   238 237 236   -0.13600
 C       1.39280  1    120.12521  1      0.95930  1   239 238 237   -0.12690
 H       1.09958  1    119.94135  1    179.01897  1   240 239 238    0.11670
 H       1.10021  1    119.82108  1    180.35671  1   239 238 237    0.13440
 H       1.10448  1    119.92947  1    179.84257  1   238 237 236    0.16910
 H       1.10328  1    120.00832  1    178.77768  1   237 236 235    0.16700
 H       1.10080  1    120.23362  1      3.54881  1   236 235 234    0.13540
 H       1.12388  1    109.54277  1    333.27943  1   234 230 229    0.08470
 H       1.12412  1    109.06943  1     89.65451  1   234 230 229    0.08910
 H       1.13124  1    106.71592  1    193.92574  1   230 229   3    0.13980
 H       1.00131  1    117.63648  1      6.34358  1   229   3   2    0.14440
 H       1.00161  1     71.24988  1    264.75885  1   229   3   2    0.13110
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32240
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11410
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19520
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.29900
 H       1.11122  1    116.74172  1    347.72574  1   253 252 251    0.07960
 C       1.53917  1    115.72329  1    338.69992  1   252 251   3   -0.10300
 C       1.46912  1    109.65876  1    291.19538  1   256 252 251   -0.17070
 C       1.39130  1    127.31603  1    110.85422  1   257 256 252   -0.06370
 N       1.40235  1    110.65388  1    184.07510  1   258 257 256   -0.20600
 C       1.40601  1    107.58374  1    355.73521  1   259 258 257   -0.02270
 C       1.44468  1    108.33392  1      3.67606  1   260 259 258   -0.07570
 C       1.39464  1    119.48670  1    177.95540  1   261 260 259   -0.09300
 C       1.38804  1    118.94115  1    359.63347  1   262 261 260   -0.14780
 C       1.40559  1    121.34542  1      0.00000  1   263 262 261   -0.10030
 C       1.38838  1    121.44835  1      0.33311  1   264 263 262   -0.16360
 H       1.09820  1    121.19023  1    179.56652  1   265 264 263    0.13030
 H       1.10407  1    118.51212  1    179.84683  1   264 263 262    0.15860
 H       1.10088  1    119.89997  1    179.27576  1   263 262 261    0.14520
 H       1.10002  1    120.17909  1    178.71126  1   262 261 260    0.13850
 H       0.98962  1    122.79289  1    203.38306  1   259 258 257    0.23960
 H       1.09371  1    129.25761  1      1.91656  1   258 257 256    0.16360
 H       1.12133  1    110.46470  1     53.42920  1   256 252 251    0.08330
 H       1.12491  1    108.51439  1    171.60228  1   256 252 251    0.11630
 H       1.14103  1    105.30982  1    222.07442  1   252 251   3    0.13240
 H       1.00455  1     90.03307  1    321.43758  1   251   3   2    0.16580
 H       1.00388  1     60.52574  1    211.34729  1   251   3   2    0.12940
 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   -0.04260
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.32960
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41760
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.31140
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.03110
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19240
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.32550
 H       1.11015  1    116.79154  1    314.75424  1   283 282 281    0.09490
 C       1.54419  1    107.43612  1    183.29134  1   282 281 279   -0.15670
 C       1.52540  1    105.70809  1    351.35152  1   286 282 281   -0.16660
 C       1.53868  1    106.45953  1     12.55044  1   287 286 282   -0.05060
 H       1.12509  1    109.71687  1    106.74491  1   288 287 286    0.06920
 H       1.13309  1    110.95722  1    227.39203  1   288 287 286    0.19200
 H       1.11711  1    111.51368  1    133.14126  1   287 286 282    0.07630
 H       1.12007  1    110.88953  1    253.24991  1   287 286 282    0.11630
 H       1.11762  1    110.64197  1    111.66838  1   286 282 281    0.07210
 H       1.11736  1    109.82602  1    230.92617  1   286 282 281    0.10470
 H       1.13157  1    109.78917  1     63.05639  1   282 281 279    0.13270
 C       1.54666  1    114.97592  1    334.06721  1   278 277   3   -0.18860
 C       1.48947  1    111.08214  1    304.82028  1   296 278 277   -0.07620
 C       1.40089  1    120.71239  1    300.70317  1   297 296 278   -0.13900
 C       1.39345  1    120.31863  1    180.17455  1   298 297 296   -0.15140
 C       1.39455  1    120.10166  1      0.43542  1   299 298 297   -0.16080
 C       1.39419  1    119.80639  1      0.33731  1   300 299 298   -0.13000
 C       1.39512  1    120.42393  1    359.46598  1   301 300 299   -0.10210
 H       1.11394  1    120.05327  1    178.66428  1   302 301 300    0.21970
 H       1.09970  1    120.32058  1    178.62711  1   301 300 299    0.12890
 H       1.09842  1    119.97956  1    179.55138  1   300 299 298    0.10390
 H       1.09861  1    119.78106  1    179.65599  1   299 298 297    0.10740
 H       1.10028  1    119.79299  1    358.96005  1   298 297 296    0.13160
 H       1.12983  1    110.18915  1     66.48477  1   296 278 277    0.15950
 H       1.12123  1    108.54959  1    184.54615  1   296 278 277    0.11330
 H       1.14008  1    106.20140  1    216.10528  1   278 277   3    0.11930
 H       1.00483  1     97.95975  1    302.71632  1   277   3   2    0.15440
 H       1.00547  1     60.42571  1    196.67446  1   277   3   2    0.15350
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.34110
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09430
 C       1.53380  0    108.58586  0    148.98325  0   314 313   3    0.20180
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.31510
 H       1.11507  1    115.01989  1    317.39981  1   315 314 313    0.08350
 C       1.54306  1    116.49899  1     25.80706  1   314 313   3   -0.13390
 C       1.51446  1    110.12255  1    189.02091  1   318 314 313   -0.21280
 H       1.11747  1    110.36139  1     66.52615  1   319 318 314    0.07390
 H       1.11769  1    109.99682  1    185.96587  1   319 318 314    0.08410
 H       1.11690  1    110.82088  1    306.29760  1   319 318 314    0.07540
 C       1.51534  1    111.05986  1    310.82322  1   318 314 313   -0.22670
 H       1.11963  1    110.99382  1     71.93666  1   323 318 314    0.08440
 H       1.11977  1    110.09798  1    191.22173  1   323 318 314    0.10090
 H       1.11748  1    110.80558  1    311.20805  1   323 318 314    0.07640
 H       1.12789  1    108.41202  1     69.45310  1   318 314 313    0.10050
 H       1.13066  1    106.28141  1    265.90341  1   314 313   3    0.12060
 H       1.00364  1     21.66014  1    348.01444  1   313   3   2    0.17270
 H       1.00164  1    100.29211  1    233.96446  1   313   3   2    0.14520
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.33320
 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    0.15660
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33820
 H       1.11006  1    115.35948  1    133.07121  1   333 332 331    0.11960
 C       1.52900  1    110.37204  1     58.01397  1   332 331   3   -0.21220
 C       1.51218  1    115.84717  1    185.99942  1   336 332 331    0.31070
 O       1.26712  1    122.48591  1     19.69949  1   337 336 332   -0.59080
 O       1.27260  1    116.77025  1    198.34177  1   337 336 332   -0.58860
 H       1.12423  1    108.75712  1    305.20974  1   336 332 331    0.11240
 H       1.12206  1    109.73241  1     63.34552  1   336 332 331    0.08440
 H       1.12897  1    108.50892  1    298.72395  1   332 331   3    0.14520
 H       1.00248  1    102.05462  1     55.06086  1   331   3   2    0.13440
 H       1.00227  1    143.53918  1    270.86992  1   331   3   2    0.12700
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36400
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02860
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.28200
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.42360
 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   -0.04140
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19590
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29690
 H       1.10275  1    120.66090  1     53.68545  1   351 350 349    0.10840
 C       1.54796  1    109.91351  1    113.26746  1   350 349 347   -0.15650
 C       1.51974  1    113.45562  1    294.28382  1   354 350 349   -0.11230
 C       1.51673  1    109.40266  1    170.98688  1   355 354 350   -0.20940
 H       1.11628  1    110.61498  1     58.77366  1   356 355 354    0.06060
 H       1.11783  1    110.47437  1    178.82846  1   356 355 354    0.06960
 H       1.11768  1    110.30691  1    298.65775  1   356 355 354    0.08820
 C       1.51453  1    111.67373  1    293.26180  1   355 354 350   -0.21170
 H       1.11797  1    110.43381  1     67.60423  1   360 355 354    0.08640
 H       1.11815  1    110.39203  1    186.79891  1   360 355 354    0.06670
 H       1.11643  1    110.70121  1    306.88565  1   360 355 354    0.05120
 H       1.12784  1    109.30859  1     52.86022  1   355 354 350    0.09800
 H       1.12330  1    108.57772  1     57.12531  1   354 350 349    0.12580
 H       1.12146  1    108.80732  1    173.77288  1   354 350 349    0.08400
 H       1.14040  1    106.40117  1    357.45718  1   350 349 347    0.10600
 H       1.00319  1    121.44750  1    358.95435  1   349 347 346    0.28610
 C       1.53763  1    113.73865  1    353.50215  1   346 345   3   -0.17810
 C       1.52325  1    113.53368  1    304.23921  1   369 346 345   -0.09920
 C       1.51847  1    112.84052  1     86.52199  1   370 369 346   -0.21720
 H       1.11916  1    111.66734  1     25.64256  1   371 370 369    0.10920
 H       1.11825  1    110.42655  1    146.17894  1   371 370 369    0.06820
 H       1.11685  1    110.69790  1    265.40183  1   371 370 369    0.08310
 C       1.51634  1    109.34603  1    209.24680  1   370 369 346   -0.21040
 H       1.11794  1    110.40162  1     54.85702  1   375 370 369    0.05150
 H       1.11832  1    110.12445  1    174.95904  1   375 370 369    0.06860
 H       1.11725  1    110.33114  1    294.63697  1   375 370 369    0.09450
 H       1.12465  1    108.28034  1    327.23181  1   370 369 346    0.07580
 H       1.12314  1    110.33120  1     66.03936  1   369 346 345    0.10650
 H       1.12351  1    107.26007  1    182.76022  1   369 346 345    0.08310
 H       1.13203  1    106.58142  1    233.89782  1   346 345   3    0.10500
 H       1.00602  1     42.54148  1    158.66188  1   345   3   2    0.20030
 H       1.00086  1    135.83158  1     94.69510  1   345   3   2    0.13770
 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   -0.06070
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27570
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.36020
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.36310
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04770
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.18120
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31620
 H       1.10942  1    115.94372  1     81.68281  1   391 390 389    0.10790
 C       1.53022  1    114.60531  1    146.59231  1   390 389 387   -0.12880
 C       1.48620  1    114.91056  1    302.34596  1   394 390 389   -0.09250
 C       1.40153  1    122.07322  1    317.02589  1   395 394 390   -0.12790
 C       1.39549  1    120.66904  1    182.01200  1   396 395 394   -0.10270
 C       1.39574  1    119.77704  1      0.70217  1   397 396 395   -0.12100
 C       1.39456  1    119.99955  1    359.72462  1   398 397 396   -0.15520
 C       1.39628  1    120.18498  1    359.73757  1   399 398 397   -0.14680
 H       1.09948  1    119.85845  1    180.71040  1   400 399 398    0.11480
 H       1.09935  1    120.04429  1    180.48411  1   399 398 397    0.11330
 H       1.10062  1    119.62301  1    180.10350  1   398 397 396    0.14190
 H       1.11107  1    120.32377  1    180.95287  1   397 396 395    0.20440
 H       1.10132  1    120.31876  1      2.64364  1   396 395 394    0.14330
 H       1.12428  1    108.86569  1     66.50948  1   394 390 389    0.09950
 H       1.12510  1    106.81005  1    181.73584  1   394 390 389    0.09380
 H       1.13538  1    107.43311  1     25.30378  1   390 389 387    0.13750
 H       0.99644  1    121.67504  1    346.85955  1   389 387 386    0.23490
 C       1.53797  1    111.84793  1    312.99269  1   386 385   3   -0.07710
 C       1.47192  1    108.94545  1    187.66934  1   410 386 385   -0.14880
 N       1.39707  1    124.09048  1     91.40251  1   411 410 386   -0.16000
 C       1.39150  1    106.54745  1    187.48928  1   412 411 410   -0.09130
 N       1.35547  1    111.66461  1    358.34573  1   413 412 411   -0.15530
 C       1.38585  1    105.80817  1      0.30286  1   414 413 412   -0.18280
 H       1.08910  1    121.81486  1    181.47254  1   415 414 413    0.16020
 H       1.09379  1    123.15121  1    180.55212  1   413 412 411    0.18790
 H       1.00039  1    124.71407  1    355.35308  1   412 411 410    0.30260
 H       1.12903  1    108.18647  1    307.95492  1   410 386 385    0.14590
 H       1.12064  1    110.56030  1     66.66087  1   410 386 385    0.07710
 H       1.13368  1    106.46065  1    195.18815  1   386 385   3    0.16650
 H       0.99885  1     71.05192  1    197.95699  1   385   3   2    0.14100
 H       0.99767  1    122.40684  1     95.51387  1   385   3   2    0.13870
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.43150
 H       0.96567  1     61.08386  1    314.75220  1   424   3   2    0.22150
 H       0.96203  1    161.93937  1    288.41660  1   424   3   2    0.20470

