


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.35110
 C       1.43541  0      0.00000  0      0.00000  0     1   0   0   -0.10120
 C       1.51361  0    105.85431  0      0.00000  0     2   1   0    0.18480
 O       1.21823  0    118.28448  0    316.65614  0     3   2   1   -0.30300
 H       1.10912  1    117.73529  1    136.74823  1     3   2   1    0.09170
 C       1.53447  1    111.58668  1     84.92451  1     2   3   4   -0.15340
 C       1.51131  1    112.92696  1     56.56886  1     6   2   3   -0.23190
 C       1.52943  1    113.03715  1     77.53220  1     7   6   2    0.32640
 O       1.26544  1    120.08223  1    296.94331  1     8   7   6   -0.58110
 O       1.27339  1    118.21008  1    117.26633  1     8   7   6   -0.62060
 H       1.12240  1    108.92919  1    197.93040  1     7   6   2    0.08650
 H       1.12055  1    110.51555  1    315.82453  1     7   6   2    0.06450
 H       1.12414  1    108.20415  1    176.83753  1     6   2   3    0.08490
 H       1.12313  1    109.47769  1    292.75859  1     6   2   3    0.08030
 H       1.13819  1    108.43861  1    200.92451  1     2   3   4    0.14500
 H       1.00429  1    109.76913  1    160.33343  1     1   2   3    0.13330
 H       1.00949  1    111.29790  1     41.86818  1     1   2   3    0.16970
 N       7.96014  0     75.09678  0    335.36568  0     3   2   1   -0.34990
 C       1.43306  0     42.93610  0    322.43062  0    18   3   2   -0.06600
 C       1.48866  0    114.42599  0    125.51033  0    19  18   3    0.33140
 O       1.22130  0    115.93694  0     35.03719  0    20  19  18   -0.41570
 N       1.33108  0    117.44794  0    215.43053  0    20  19  18   -0.35950
 C       1.45235  0    123.47707  0    179.52223  0    22  20  19   -0.02830
 C       1.53754  0    111.92080  0    301.14966  0    23  22  20    0.18340
 O       1.25976  0    125.74037  0    157.66496  0    24  23  22   -0.34030
 H       1.11383  1    115.32388  1    337.64644  1    24  23  22    0.09370
 C       1.54423  1    112.41357  1    178.67507  1    23  22  20   -0.06740
 C       1.46241  1    109.99750  1    276.11866  1    27  23  22   -0.24280
 C       1.40464  1    128.22268  1     92.55155  1    28  27  23   -0.02770
 N       1.38447  1    110.68461  1    182.35755  1    29  28  27   -0.19150
 C       1.39793  1    107.88922  1    359.33628  1    30  29  28   -0.01670
 C       1.45094  1    108.53962  1      0.99403  1    31  30  29   -0.07740
 C       1.39649  1    119.99719  1    179.44561  1    32  31  30   -0.12350
 C       1.38533  1    119.06661  1      0.81563  1    33  32  31   -0.16910
 C       1.40664  1    120.94056  1      0.81478  1    34  33  32   -0.14890
 C       1.38465  1    121.63856  1    359.02692  1    35  34  33   -0.11330
 H       1.09868  1    121.47422  1    176.86675  1    36  35  34    0.16240
 H       1.09963  1    119.20750  1    178.60198  1    35  34  33    0.11860
 H       1.09863  1    119.91497  1    180.17615  1    34  33  32    0.10170
 H       1.09895  1    119.81074  1    180.54747  1    33  32  31    0.11810
 H       1.03099  1    123.72239  1    173.12807  1    30  29  28    0.32710
 H       1.09896  1    128.90695  1      3.16708  1    29  28  27    0.19970
 H       1.12324  1    110.88992  1     39.21789  1    27  23  22    0.09970
 H       1.12442  1    107.58132  1    156.78389  1    27  23  22    0.09560
 H       1.13486  1    108.32996  1     58.71238  1    23  22  20    0.13450
 H       0.99917  1    122.12955  1    359.89709  1    22  20  19    0.26680
 C       1.53405  1    113.44820  1    345.71283  1    19  18   3   -0.16780
 C       1.51240  1    109.05882  1    204.76261  1    47  19  18    0.30630
 O       1.24463  1    123.55893  1    242.15170  1    48  47  19   -0.43960
 O       1.33172  1    117.58086  1     59.23379  1    48  47  19   -0.31510
 C       1.66584  0    112.85871  1    190.75922  1    50  48  47    0.05750
 H       1.11013  1    105.09747  1     27.12634  1    51  50  48    0.13960
 H       1.10737  1    101.72418  1    268.66305  1    51  50  48    0.13160
Cl       3.12998  1    159.73291  1    340.50191  1    51  50  48   -0.85030
 C       1.49733  1    102.72773  1    147.55025  1    51  50  48   -0.16780
 H       1.12538  1    109.86907  1    351.16310  1    55  51  50    0.09680
 H       1.12459  1    108.84846  1    234.03531  1    55  51  50    0.09630
 C       1.51417  1    111.85743  1    113.09711  1    55  51  50   -0.17480
 H       1.12300  1    109.62951  1    304.07132  1    58  55  51    0.09200
 C       1.50578  1    111.07488  1    182.64427  1    58  55  51   -0.21310
 H       1.11834  1    110.31992  1    300.15090  1    60  58  55    0.06400
 H       1.11790  1    110.41479  1    180.12261  1    60  58  55    0.06890
 H       1.11891  1    110.96808  1     60.16377  1    60  58  55    0.07030
 H       1.12475  1    109.04547  1     61.33020  1    58  55  51    0.10730
 H       1.12422  1    109.99748  1    323.11125  1    47  19  18    0.15220
 H       1.11938  1    112.95991  1     83.32381  1    47  19  18    0.12510
 H       1.16401  1    106.93071  1    234.43373  1    19  18   3    0.08640
 H       1.00190  1    150.93295  1    351.82771  1    18   3   2    0.16710
 H       1.00153  1     93.24245  1    206.48068  1    18   3   2    0.16700
 N      11.18390  0     45.95169  0    335.35266  0     3   2   1   -0.33370
 C       1.48474  0    109.83433  0    318.64400  0    70   3   2   -0.09950
 C       1.54617  0    110.48582  0    112.74304  0    71  70   3    0.20010
 O       1.23698  0    121.33134  0    141.68350  0    72  71  70   -0.32620
 H       1.11011  1    116.36016  1    320.08739  1    72  71  70    0.10360
 C       1.52988  1    116.67094  1    351.39823  1    71  70   3   -0.15210
 C       1.48729  1    115.90600  1    288.60099  1    75  71  70   -0.07330
 C       1.39692  1    124.05549  1    351.84991  1    76  75  71   -0.14040
 C       1.39629  1    120.32721  1    180.05764  1    77  76  75   -0.13270
 C       1.39240  1    120.40982  1      0.64454  1    78  77  76   -0.13710
 C       1.39642  1    119.62352  1      0.26204  1    79  78  77   -0.12490
 C       1.39134  1    120.09069  1    358.94572  1    80  79  78   -0.12470
 H       1.10461  1    119.75391  1    182.12055  1    81  80  79    0.15670
 H       1.10261  1    120.14260  1    179.59355  1    80  79  78    0.14570
 H       1.10144  1    120.46523  1    181.57866  1    79  78  77    0.13550
 H       1.09976  1    119.71542  1    181.46380  1    78  77  76    0.12460
 H       1.09949  1    120.99630  1      0.78685  1    77  76  75    0.12870
 H       1.12679  1    109.23821  1     52.03895  1    75  71  70    0.10750
 H       1.12657  1    107.84873  1    167.82865  1    75  71  70    0.09810
 H       1.12866  1    106.55525  1    229.13182  1    71  70   3    0.11630
 H       1.00524  1     61.11808  1    217.52924  1    70   3   2    0.17500
 H       1.00418  1     49.07337  1     57.44884  1    70   3   2    0.14780
 N      16.98887  0     78.77108  0    276.65240  0     3   2   1   -0.33020
 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    0.19530
 O       1.24033  0    121.30901  0    176.74567  0    94  93  92   -0.29980
 H       1.10989  1    116.97276  1    356.74187  1    94  93  92    0.10150
 C       1.54768  1    112.53873  1    309.42763  1    93  92   3   -0.15480
 C       1.49009  1    110.40404  1     48.30630  1    97  93  92   -0.06340
 C       1.40022  1    120.49791  1     86.84475  1    98  97  93   -0.13550
 C       1.39377  1    120.30947  1    182.75198  1    99  98  97   -0.11680
 C       1.39539  1    120.18074  1    359.45581  1   100  99  98   -0.13320
 C       1.39438  1    119.79134  1    359.80243  1   101 100  99   -0.13550
 C       1.39384  1    120.11959  1      0.48983  1   102 101 100   -0.14260
 H       1.09967  1    119.96000  1    181.29187  1   103 102 101    0.12050
 H       1.09919  1    119.96663  1    181.06580  1   102 101 100    0.11990
 H       1.09949  1    119.95513  1    180.35670  1   101 100  99    0.13240
 H       1.10209  1    119.71304  1    180.12415  1   100  99  98    0.14350
 H       1.10233  1    119.66889  1      3.29076  1    99  98  97    0.14620
 H       1.12344  1    109.71069  1    170.20090  1    97  93  92    0.13700
 H       1.12160  1    109.61015  1    286.99829  1    97  93  92    0.10520
 H       1.12707  1    107.63687  1    189.14315  1    93  92   3    0.12810
 H       1.00255  1    111.68681  1    102.51910  1    92   3   2    0.14050
 H       1.00352  1     60.82643  1      3.44610  1    92   3   2    0.14400
 N      17.89408  0     97.90475  0    267.28960  0     3   2   1   -0.29150
 C       1.43736  0    110.29372  0    222.59590  0   114   3   2   -0.11460
 C       1.49667  0    113.30282  0     44.24659  0   115 114   3    0.18240
 O       1.21152  0    117.76296  0    341.83825  0   116 115 114   -0.30280
 H       1.10996  1    117.49608  1    162.06102  1   116 115 114    0.11190
 C       1.55147  1    110.03452  1    279.57413  1   115 114   3   -0.17280
 C       1.52275  1    105.34403  1    359.12418  1   119 115 114   -0.17510
 C       1.53713  1    105.92089  1    356.13099  1   120 119 115   -0.09070
 H       1.12262  1    110.80037  1    130.80108  1   121 120 119    0.08450
 H       1.12445  1    110.13666  1    249.86682  1   121 120 119    0.07010
 H       1.11802  1    110.68192  1    116.20061  1   120 119 115    0.10990
 H       1.11626  1    111.18221  1    235.88699  1   120 119 115    0.07650
 H       1.12261  1    112.37900  1    120.44822  1   119 115 114    0.16090
 H       1.11650  1    109.74726  1    239.36660  1   119 115 114    0.08790
 H       1.13350  1    106.61206  1    162.33835  1   115 114   3    0.09330
 H       1.00626  1     33.28625  1    321.81159  1   114   3   2    0.16840
 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   -0.06840
 C       1.54573  0    115.39702  0    325.30114  0   131 130   3    0.17430
 O       1.21650  0    121.78862  0    193.10814  0   132 131 130   -0.30610
 H       1.11464  1    116.16852  1     14.13518  1   132 131 130    0.07860
 C       1.53309  1    113.30527  1    196.53648  1   131 130   3   -0.22410
 C       1.53505  1    116.81634  1     36.00136  1   135 131 130    0.33400
 O       1.26992  1    120.17687  1     26.23810  1   136 135 131   -0.61270
 O       1.26464  1    117.17501  1    206.04037  1   136 135 131   -0.57940
 H       1.12042  1    108.83970  1    157.67836  1   135 131 130    0.10030
 H       1.12019  1    108.23980  1    274.64984  1   135 131 130    0.07400
 H       1.13603  1    105.62402  1     78.86607  1   131 130   3    0.07990
 H       1.00624  1    133.92581  1    101.15581  1   130   3   2    0.18180
 H       1.00382  1     56.28694  1     17.57049  1   130   3   2    0.12080
 N      12.50007  0     97.91996  0    261.63373  0     3   2   1   -0.33450
 C       1.44534  0     57.31406  0    322.50817  0   144   3   2   -0.08750
 C       1.53835  0    116.53274  0    230.26398  0   145 144   3    0.19590
 O       1.24316  0    120.46732  0    146.99107  0   146 145 144   -0.30700
 H       1.10854  1    117.16286  1    325.50492  1   146 145 144    0.09890
 C       1.55233  1    113.68962  1    106.25001  1   145 144   3   -0.16270
 C       1.48711  1    113.61764  1    184.75724  1   149 145 144   -0.07660
 C       1.40084  1    120.53506  1     71.60123  1   150 149 145   -0.13120
 C       1.39450  1    120.53847  1    178.94265  1   151 150 149   -0.12570
 C       1.39556  1    120.02813  1      0.70398  1   152 151 150   -0.14280
 C       1.39475  1    119.74527  1    358.65365  1   153 152 151   -0.13830
 C       1.39366  1    120.25204  1      0.74466  1   154 153 152   -0.13550
 H       1.09959  1    119.87191  1    180.21423  1   155 154 153    0.11830
 H       1.09911  1    119.90852  1    180.73113  1   154 153 152    0.11770
 H       1.10248  1    119.80350  1    179.03953  1   153 152 151    0.14430
 H       1.10756  1    119.87601  1    181.82015  1   152 151 150    0.17430
 H       1.10230  1    119.95807  1    358.56656  1   151 150 149    0.14650
 H       1.12548  1    107.99136  1    305.13905  1   149 145 144    0.09720
 H       1.12376  1    109.13515  1     61.10489  1   149 145 144    0.10090
 H       1.13610  1    106.12289  1    349.09788  1   145 144   3    0.12500
 H       1.00144  1     73.62148  1     90.46798  1   144   3   2    0.17100
 H       1.00217  1    167.49258  1    346.49723  1   144   3   2    0.14940
 N      10.94337  0    106.51163  0    240.89105  0     3   2   1   -0.34110
 C       1.46213  0     14.86456  0    265.09140  0   166   3   2   -0.09190
 C       1.54890  0    109.51012  0    131.27165  0   167 166   3    0.22240
 O       1.23101  0    125.00583  0    126.76891  0   168 167 166   -0.33750
 H       1.11411  1    113.70138  1    304.87499  1   168 167 166    0.09900
 C       1.54916  1    110.42392  1     12.28532  1   167 166   3   -0.11670
 C       1.46196  1    118.72485  1    162.46456  1   171 167 166   -0.22790
 C       1.40765  1    125.86877  1    254.54328  1   172 171 167   -0.07880
 N       1.38578  1    111.12212  1    190.53675  1   173 172 171   -0.19270
 C       1.39629  1    107.48335  1      1.79024  1   174 173 172   -0.01870
 C       1.45051  1    108.80939  1    358.11256  1   175 174 173   -0.06590
 C       1.39659  1    119.67176  1    179.42661  1   176 175 174   -0.12270
 C       1.38493  1    119.08763  1      0.11715  1   177 176 175   -0.15310
 C       1.40766  1    121.08541  1    359.89684  1   178 177 176   -0.15640
 C       1.38382  1    121.64060  1      0.10766  1   179 178 177   -0.11180
 H       1.10020  1    120.64761  1    180.55522  1   180 179 178    0.15230
 H       1.10231  1    119.82828  1    181.68556  1   179 178 177    0.13580
 H       1.09935  1    119.78926  1    181.31825  1   178 177 176    0.10760
 H       1.09935  1    119.94982  1    181.98906  1   177 176 175    0.12700
 H       1.04060  1    124.73041  1    167.15326  1   174 173 172    0.32740
 H       1.09451  1    128.44628  1      9.38201  1   173 172 171    0.16380
 H       1.12694  1    106.92784  1    285.20917  1   171 167 166    0.10250
 H       1.12968  1    107.91151  1     40.29548  1   171 167 166    0.08530
 H       1.12434  1    109.00178  1    251.04479  1   167 166   3    0.11200
 H       1.00276  1     99.09718  1    132.04427  1   166   3   2    0.15690
 H       1.00431  1    104.12710  1     20.01424  1   166   3   2    0.14820
 N      10.01719  0    101.54687  0    205.40459  0     3   2   1   -0.33540
 C       1.44716  0     60.44593  0    312.77637  0   192   3   2   -0.06300
 C       1.51484  0    114.54894  0    162.40538  0   193 192   3    0.32070
 O       1.23614  0    116.70478  0    115.46584  0   194 193 192   -0.39330
 N       1.35879  0    120.55811  0    294.85307  0   194 193 192   -0.37010
 C       1.46169  0    117.94215  0    183.10701  0   196 194 193   -0.04470
 C       1.50738  0    120.92050  0    281.62350  0   197 196 194    0.19420
 O       1.23358  0    117.93172  0    174.66855  0   198 197 196   -0.31770
 H       1.10894  1    119.05569  1    356.31507  1   198 197 196    0.10400
 C       1.55409  1    111.12989  1    154.30403  1   197 196 194   -0.11070
 C       1.51221  1    111.34818  1    298.71286  1   201 197 196   -0.21070
 H       1.11734  1    111.56408  1     69.16922  1   202 201 197    0.08690
 H       1.11725  1    109.75687  1    188.86300  1   202 201 197    0.07430
 H       1.11679  1    110.57081  1    308.60004  1   202 201 197    0.08630
 C       1.51256  1    111.98964  1     63.59448  1   201 197 196   -0.21370
 H       1.11700  1    110.43927  1     48.45680  1   206 201 197    0.06710
 H       1.11727  1    109.78447  1    168.12627  1   206 201 197    0.07700
 H       1.11681  1    111.61512  1    287.51942  1   206 201 197    0.08130
 H       1.12918  1    105.76447  1    181.50742  1   201 197 196    0.10510
 H       1.14253  1    105.46617  1     38.98291  1   197 196 194    0.14080
 H       0.98858  1    122.48656  1      2.89014  1   196 194 193    0.24700
 C       1.54186  1    116.44168  1     34.16674  1   193 192   3   -0.19610
 C       1.52273  1    112.18075  1    274.58623  1   213 193 192   -0.10520
 C       1.51631  1    110.05929  1    167.07945  1   214 213 193   -0.22800
 H       1.11980  1    110.96087  1     66.63608  1   215 214 213    0.11000
 H       1.11768  1    110.06832  1    185.58208  1   215 214 213    0.08400
 H       1.11662  1    110.78186  1    305.11874  1   215 214 213    0.08490
 C       1.51555  1    111.91219  1    288.64181  1   214 213 193   -0.20570
 H       1.11591  1    111.56415  1     63.16488  1   219 214 213    0.04980
 H       1.11717  1    109.70764  1    183.20786  1   219 214 213    0.07800
 H       1.11725  1    110.38302  1    302.20019  1   219 214 213    0.09090
 H       1.12924  1    108.32341  1     48.74422  1   214 213 193    0.07880
 H       1.12294  1    109.88443  1     36.07192  1   213 193 192    0.09410
 H       1.12179  1    109.63001  1    153.88754  1   213 193 192    0.09610
 H       1.13995  1    105.30586  1    275.78542  1   193 192   3    0.12970
 H       1.00588  1     58.66034  1    171.32937  1   192   3   2    0.16340
 H       1.00491  1     94.74497  1     63.84071  1   192   3   2    0.14600
 N      11.18833  0    145.22708  0    179.37926  0     3   2   1   -0.32880
 C       1.47538  0     38.91567  0     92.42374  0   229   3   2   -0.11020
 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   -0.28540
 H       1.10947  1    116.62604  1    310.73820  1   231 230 229    0.09060
 C       1.54213  1    113.87284  1    314.42667  1   230 229   3   -0.14330
 C       1.48631  1    112.51374  1    213.26824  1   234 230 229   -0.09830
 C       1.39867  1    120.45678  1    250.74511  1   235 234 230   -0.11940
 C       1.39505  1    120.25475  1    181.51841  1   236 235 234   -0.12090
 C       1.39519  1    120.11537  1      0.54930  1   237 236 235   -0.14270
 C       1.39595  1    119.82372  1    359.96985  1   238 237 236   -0.13540
 C       1.39303  1    120.13806  1    359.96259  1   239 238 237   -0.13370
 H       1.09930  1    119.99845  1    179.95809  1   240 239 238    0.11400
 H       1.10026  1    119.90794  1    179.39328  1   239 238 237    0.13330
 H       1.10538  1    119.69853  1    179.02994  1   238 237 236    0.17240
 H       1.10693  1    119.89640  1    180.18678  1   237 236 235    0.17860
 H       1.10058  1    120.25563  1      1.06333  1   236 235 234    0.13650
 H       1.12490  1    109.52601  1    333.69456  1   234 230 229    0.08320
 H       1.12293  1    109.42468  1     90.38150  1   234 230 229    0.09050
 H       1.13088  1    106.78357  1    194.12575  1   230 229   3    0.14030
 H       1.00112  1    117.43514  1      6.10987  1   229   3   2    0.14560
 H       1.00151  1     71.26681  1    264.43626  1   229   3   2    0.13160
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32260
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11490
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19230
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.30010
 H       1.11132  1    116.73765  1    347.98777  1   253 252 251    0.08120
 C       1.53906  1    115.49152  1    337.66998  1   252 251   3   -0.10290
 C       1.46963  1    109.15059  1    290.87106  1   256 252 251   -0.17360
 C       1.39138  1    127.29391  1    104.20600  1   257 256 252   -0.07370
 N       1.40209  1    110.72783  1    185.14801  1   258 257 256   -0.20710
 C       1.40721  1    107.53599  1    356.19936  1   259 258 257   -0.02510
 C       1.44483  1    108.31578  1      3.64335  1   260 259 258   -0.07100
 C       1.39447  1    119.56376  1    177.51549  1   261 260 259   -0.09560
 C       1.38817  1    118.82879  1    359.66900  1   262 261 260   -0.14170
 C       1.40532  1    121.38266  1      0.12019  1   263 262 261   -0.10310
 C       1.38847  1    121.49398  1      0.49331  1   264 263 262   -0.15550
 H       1.09826  1    121.17238  1    179.15736  1   265 264 263    0.13270
 H       1.10433  1    118.59653  1    180.35907  1   264 263 262    0.16170
 H       1.10080  1    119.83979  1    179.43961  1   263 262 261    0.14250
 H       1.09977  1    120.12895  1    178.99283  1   262 261 260    0.13740
 H       0.98977  1    122.72479  1    204.16213  1   259 258 257    0.24040
 H       1.09436  1    129.08948  1      2.65257  1   258 257 256    0.16710
 H       1.12186  1    110.33735  1     52.32237  1   256 252 251    0.07960
 H       1.12384  1    108.74175  1    170.92718  1   256 252 251    0.11830
 H       1.14183  1    105.28056  1    221.54132  1   252 251   3    0.13390
 H       1.00482  1     90.06818  1    321.48734  1   251   3   2    0.16680
 H       1.00387  1     60.52559  1    211.41975  1   251   3   2    0.12970
 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   -0.04280
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.33220
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41470
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.30440
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.04270
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19680
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.33390
 H       1.11065  1    117.01989  1    314.98501  1   283 282 281    0.08390
 C       1.54249  1    107.47480  1    182.71145  1   282 281 279   -0.15400
 C       1.52567  1    105.72226  1    350.77831  1   286 282 281   -0.16590
 C       1.53928  1    106.65759  1     11.16329  1   287 286 282   -0.04200
 H       1.12548  1    109.48164  1    109.49384  1   288 287 286    0.06410
 H       1.13321  1    111.09514  1    229.58628  1   288 287 286    0.18030
 H       1.11704  1    111.47413  1    131.84521  1   287 286 282    0.06750
 H       1.11999  1    110.56274  1    251.95801  1   287 286 282    0.12060
 H       1.11760  1    110.83377  1    111.24560  1   286 282 281    0.06190
 H       1.11780  1    109.54091  1    230.77434  1   286 282 281    0.11320
 H       1.13837  1    109.20522  1     63.43209  1   282 281 279    0.17320
 C       1.54532  1    115.12111  1    333.45895  1   278 277   3   -0.19250
 C       1.48925  1    111.10256  1    303.42751  1   296 278 277   -0.06990
 C       1.40077  1    120.65946  1    298.99830  1   297 296 278   -0.13630
 C       1.39366  1    120.41499  1    180.17678  1   298 297 296   -0.15590
 C       1.39448  1    120.04041  1      0.40293  1   299 298 297   -0.16200
 C       1.39449  1    119.78552  1      0.34239  1   300 299 298   -0.13920
 C       1.39487  1    120.47249  1    359.41637  1   301 300 299   -0.10050
 H       1.11395  1    120.20532  1    178.62431  1   302 301 300    0.21910
 H       1.09961  1    120.24542  1    178.69537  1   301 300 299    0.12660
 H       1.09833  1    120.00884  1    179.65124  1   300 299 298    0.10120
 H       1.09849  1    119.83152  1    179.76296  1   299 298 297    0.10470
 H       1.10048  1    119.67552  1    359.11365  1   298 297 296    0.13310
 H       1.12958  1    110.24305  1     65.45503  1   296 278 277    0.16240
 H       1.12125  1    108.38813  1    183.29320  1   296 278 277    0.11980
 H       1.14052  1    105.98928  1    215.87361  1   278 277   3    0.11380
 H       1.00463  1     97.05325  1    302.18866  1   277   3   2    0.14760
 H       1.00547  1     60.92047  1    195.78887  1   277   3   2    0.15320
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.33490
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09340
 C       1.53380  0    108.58586  0    148.98325  0   314 313   3    0.20010
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.32350
 H       1.11527  1    115.07466  1    317.02557  1   315 314 313    0.08240
 C       1.54393  1    117.66184  1     27.46373  1   314 313   3   -0.13590
 C       1.51546  1    110.02145  1    188.81210  1   318 314 313   -0.21140
 H       1.11731  1    110.30245  1     66.48536  1   319 318 314    0.06950
 H       1.11762  1    109.93881  1    185.76427  1   319 318 314    0.07950
 H       1.11667  1    111.08385  1    306.11832  1   319 318 314    0.07120
 C       1.51157  1    111.72955  1    310.77468  1   318 314 313   -0.22780
 H       1.11998  1    111.29087  1     69.62515  1   323 318 314    0.10200
 H       1.12014  1    110.32299  1    188.06866  1   323 318 314    0.11050
 H       1.11726  1    110.73635  1    308.18071  1   323 318 314    0.06980
 H       1.12809  1    108.19207  1     69.63026  1   318 314 313    0.09940
 H       1.12961  1    106.33715  1    266.44843  1   314 313   3    0.11850
 H       1.00348  1     20.13679  1    344.72867  1   313   3   2    0.17470
 H       1.00277  1    101.38431  1    233.91650  1   313   3   2    0.14280
 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   -0.08190
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.14240
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33400
 H       1.11051  1    115.56301  1    133.10052  1   333 332 331    0.11770
 C       1.53107  1    109.34492  1     59.58067  1   332 331   3   -0.19840
 C       1.51106  1    115.18274  1    187.43125  1   336 332 331    0.30600
 O       1.26743  1    122.46258  1     17.40147  1   337 336 332   -0.58920
 O       1.27428  1    117.20874  1    196.11235  1   337 336 332   -0.59480
 H       1.12373  1    108.81493  1    306.70971  1   336 332 331    0.11490
 H       1.12139  1    109.82622  1     64.76618  1   336 332 331    0.08490
 H       1.12736  1    109.62047  1    300.15678  1   332 331   3    0.14570
 H       1.00299  1    120.95422  1     28.77612  1   331   3   2    0.13810
 H       1.00193  1    126.97652  1    233.38883  1   331   3   2    0.12230
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36640
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02670
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.27860
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.41990
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36780
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04360
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19530
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29710
 H       1.10283  1    120.67425  1     53.62029  1   351 350 349    0.11080
 C       1.55018  1    109.78205  1    114.33918  1   350 349 347   -0.15710
 C       1.51964  1    114.26591  1    300.32106  1   354 350 349   -0.11240
 C       1.51701  1    109.41186  1    168.51351  1   355 354 350   -0.20250
 H       1.11646  1    110.58926  1     56.96864  1   356 355 354    0.05910
 H       1.11798  1    110.50256  1    177.03348  1   356 355 354    0.06650
 H       1.11720  1    110.31717  1    296.96041  1   356 355 354    0.08130
 C       1.51400  1    111.46076  1    290.89592  1   355 354 350   -0.20860
 H       1.11800  1    110.25348  1     64.27342  1   360 355 354    0.08910
 H       1.11787  1    110.30184  1    183.61731  1   360 355 354    0.06810
 H       1.11643  1    110.73877  1    303.70208  1   360 355 354    0.05080
 H       1.12768  1    109.72690  1     50.56132  1   355 354 350    0.09740
 H       1.12385  1    107.98464  1     62.92774  1   354 350 349    0.12450
 H       1.12122  1    108.38521  1    179.26258  1   354 350 349    0.08080
 H       1.13943  1    106.53050  1    358.53930  1   350 349 347    0.10910
 H       1.00279  1    121.60643  1    359.95669  1   349 347 346    0.28390
 C       1.53942  1    113.55411  1    354.48919  1   346 345   3   -0.17620
 C       1.52166  1    113.98017  1    302.82979  1   369 346 345   -0.09710
 C       1.51818  1    112.88237  1     82.65108  1   370 369 346   -0.22060
 H       1.11941  1    111.59945  1     26.32573  1   371 370 369    0.10830
 H       1.11768  1    110.33179  1    146.67520  1   371 370 369    0.07160
 H       1.11689  1    110.62145  1    265.84771  1   371 370 369    0.08380
 C       1.51703  1    109.36280  1    205.13763  1   370 369 346   -0.21240
 H       1.11811  1    110.73749  1     49.97038  1   375 370 369    0.05570
 H       1.11853  1    110.45777  1    170.39362  1   375 370 369    0.07540
 H       1.11711  1    110.40818  1    290.01574  1   375 370 369    0.08830
 H       1.12343  1    108.15564  1    323.10530  1   370 369 346    0.07500
 H       1.12343  1    110.34116  1     64.80818  1   369 346 345    0.10200
 H       1.12351  1    107.08570  1    181.33244  1   369 346 345    0.08160
 H       1.13118  1    106.86030  1    234.39995  1   346 345   3    0.10920
 H       1.00556  1     43.86056  1    153.63033  1   345   3   2    0.20150
 H       1.00040  1    139.97134  1     93.83098  1   345   3   2    0.13830
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34810
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.05810
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.28010
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.37200
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.35860
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04870
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.18000
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31190
 H       1.10937  1    115.93168  1     81.69289  1   391 390 389    0.10700
 C       1.53248  1    114.24741  1    145.64028  1   390 389 387   -0.12680
 C       1.48733  1    112.03844  1    307.44124  1   394 390 389   -0.09660
 C       1.40099  1    120.73949  1    297.19709  1   395 394 390   -0.13350
 C       1.39418  1    120.53882  1    178.55462  1   396 395 394   -0.10720
 C       1.39621  1    119.74137  1      0.95213  1   397 396 395   -0.11440
 C       1.39391  1    120.00542  1      0.00000  1   398 397 396   -0.14530
 C       1.39427  1    120.23800  1    359.15926  1   399 398 397   -0.14980
 H       1.09965  1    119.81709  1    181.05278  1   400 399 398    0.11980
 H       1.10004  1    120.01479  1    180.83891  1   399 398 397    0.12390
 H       1.10200  1    119.70727  1    181.24677  1   398 397 396    0.14810
 H       1.10979  1    120.67216  1    182.56235  1   397 396 395    0.19340
 H       1.10045  1    119.82652  1    359.70197  1   396 395 394    0.13280
 H       1.12320  1    109.26707  1     70.35058  1   394 390 389    0.10030
 H       1.12228  1    107.45822  1    186.59818  1   394 390 389    0.09330
 H       1.13565  1    107.37132  1     25.48492  1   390 389 387    0.13430
 H       0.99717  1    121.60345  1    345.88292  1   389 387 386    0.23680
 C       1.53767  1    109.90789  1    313.08935  1   386 385   3   -0.08400
 C       1.47071  1    112.12007  1    187.43855  1   410 386 385   -0.12270
 N       1.39575  1    124.27310  1     83.20206  1   411 410 386   -0.15280
 C       1.38909  1    106.79410  1    180.01532  1   412 411 410   -0.10830
 N       1.35695  1    111.48423  1    358.99349  1   413 412 411   -0.19890
 C       1.38642  1    105.89278  1      0.36052  1   414 413 412   -0.19200
 H       1.09054  1    121.92855  1    181.23594  1   415 414 413    0.17010
 H       1.09422  1    123.24630  1    179.83010  1   413 412 411    0.19060
 H       1.00264  1    125.28925  1    355.63709  1   412 411 410    0.31290
 H       1.13102  1    107.71401  1    307.79272  1   410 386 385    0.15010
 H       1.12198  1    110.27587  1     65.96094  1   410 386 385    0.08240
 H       1.13313  1    106.86900  1    195.63552  1   386 385   3    0.16710
 H       0.99882  1     71.05462  1    195.70304  1   385   3   2    0.14280
 H       0.99765  1    123.99713  1     93.49560  1   385   3   2    0.14010
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.41720
 H       0.96421  1     66.10587  1    289.58586  1   424   3   2    0.21650
 H       0.95981  1    169.01326  1    272.71125  1   424   3   2    0.19570

