


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.33020
 C       1.46622  0      0.00000  0      0.00000  0     1   0   0   -0.06210
 C       1.50739  0    114.62350  0      0.00000  0     2   1   0    0.14820
 O       1.25884  0    120.97328  0    314.84163  0     3   2   1   -0.27410
 H       1.10708  1    117.15233  1    135.96843  1     3   2   1    0.09930
 C       1.54359  1    108.22406  1     79.88952  1     2   3   4   -0.21340
 C       1.51130  1    112.82396  1     49.48733  1     6   2   3    0.29520
 O       1.25606  1    122.31880  1     57.84947  1     7   6   2   -0.43580
 N       1.36844  1    117.92002  1    234.55234  1     7   6   2   -0.42600
 H       0.99154  1    120.02812  1    174.60339  1     9   7   6    0.22220
 H       0.99489  1    120.69913  1      8.29353  1     9   7   6    0.24650
 H       1.12466  1    109.13395  1    167.98448  1     6   2   3    0.12310
 H       1.12708  1    108.38496  1    285.21411  1     6   2   3    0.13800
 H       1.13136  1    108.00271  1    196.40022  1     2   3   4    0.10320
 H       1.00471  1    110.45165  1    131.75659  1     1   2   3    0.16700
 H       1.00876  1    110.46617  1     14.08320  1     1   2   3    0.18890
 N       8.13001  0     73.66202  0    343.54714  0     3   2   1   -0.32690
 C       1.48397  0     48.33677  0    297.43069  0    17   3   2   -0.04320
 C       1.51580  0    111.83594  0    112.36719  0    18  17   3    0.31810
 O       1.23774  0    120.30369  0     51.63594  0    19  18  17   -0.44260
 N       1.33961  0    119.92046  0    231.94090  0    19  18  17   -0.36860
 C       1.47286  0    117.08269  0    178.99812  0    21  19  18   -0.04570
 C       1.50006  0    112.06490  0    290.64119  0    22  21  19    0.19950
 O       1.22392  0    118.76948  0    161.61124  0    23  22  21   -0.32290
 H       1.11188  1    118.65405  1    342.79340  1    23  22  21    0.10050
 C       1.54149  1    112.55633  1    166.75782  1    22  21  19   -0.07820
 C       1.46696  1    111.89567  1    269.89926  1    26  22  21   -0.17680
 C       1.39797  1    127.11294  1     76.34603  1    27  26  22   -0.04390
 N       1.39576  1    109.92142  1    178.12915  1    28  27  26   -0.20960
 C       1.39718  1    108.58368  1    359.93989  1    29  28  27   -0.01550
 C       1.44851  1    108.00900  1      0.61083  1    30  29  28   -0.07260
 C       1.39571  1    119.38605  1    178.39794  1    31  30  29   -0.08790
 C       1.38675  1    118.93959  1      0.90226  1    32  31  30   -0.16760
 C       1.40654  1    121.33229  1      0.23252  1    33  32  31   -0.14190
 C       1.38599  1    121.61154  1    359.19719  1    34  33  32   -0.13060
 H       1.09952  1    121.50647  1    178.62533  1    35  34  33    0.14980
 H       1.09958  1    119.09695  1    179.37958  1    34  33  32    0.11600
 H       1.09898  1    119.71672  1    180.42295  1    33  32  31    0.10700
 H       1.09953  1    119.94735  1    181.15263  1    32  31  30    0.13330
 H       0.98758  1    126.33310  1    182.59036  1    29  28  27    0.25850
 H       1.10014  1    128.45779  1    356.70372  1    28  27  26    0.21130
 H       1.12418  1    110.61731  1     33.00984  1    26  22  21    0.09970
 H       1.12537  1    107.94391  1    150.29216  1    26  22  21    0.09160
 H       1.13649  1    107.30966  1     47.61844  1    22  21  19    0.14290
 H       0.99836  1    124.81683  1    357.83499  1    21  19  18    0.28470
 C       1.52747  1    112.05914  1    341.52629  1    18  17   3   -0.21950
 C       1.52850  1    112.78655  1    184.82476  1    46  18  17    0.31590
 O       1.26480  1    123.78103  1     62.58081  1    47  46  18   -0.54580
 C       2.31988  0    109.62674  1    163.84807  1    48  47  46    0.00010
Cl       1.85846  1    163.71448  1    104.36180  1    49  48  47   -0.36450
 H       1.11043  1     67.29991  1    155.46129  1    49  48  47    0.13160
 H       1.11252  1     74.19905  1     28.95074  1    49  48  47    0.16030
 C       1.50528  1     87.46708  1    273.33058  1    49  48  47   -0.15860
 H       1.12395  1    110.26279  1    141.22062  1    53  49  48    0.06070
 C       1.51328  1    112.12102  1    264.62029  1    53  49  48   -0.17230
 H       1.12254  1    108.64189  1     69.84824  1    55  53  49    0.10710
 H       1.12436  1    109.76307  1    312.86298  1    55  53  49    0.05720
 C       1.50678  1    111.89831  1    191.10515  1    55  53  49   -0.22460
 H       1.11853  1    110.44442  1    297.50114  1    58  55  53    0.10390
 H       1.11701  1    110.42978  1    177.72300  1    58  55  53    0.07560
 H       1.11887  1    111.20002  1     57.35081  1    58  55  53    0.04600
 H       1.12688  1    108.06807  1     25.15462  1    53  49  48    0.15350
 O       1.28073  1    116.61178  1    242.06375  1    47  46  18   -0.65240
 H       1.12127  1    108.15023  1    304.04084  1    46  18  17    0.11770
 H       1.12016  1    111.38795  1     62.25887  1    46  18  17    0.09780
 H       1.14382  1    109.41680  1    225.79119  1    18  17   3    0.09070
 H       1.00208  1    155.00688  1    319.23263  1    17   3   2    0.13790
 H       1.00360  1     89.01734  1    182.50975  1    17   3   2    0.16130
 N      12.39849  0     94.35127  0    340.03018  0     3   2   1   -0.32870
 C       1.46232  0     47.10766  0    254.76067  0    69   3   2   -0.12810
 C       1.52242  0    109.96185  0     63.74052  0    70  69   3    0.19850
 O       1.22259  0    122.70647  0    243.71115  0    71  70  69   -0.30180
 H       1.11327  1    115.13582  1     64.83976  1    71  70  69    0.09120
 C       1.53532  1    113.29786  1    299.46690  1    70  69   3   -0.16860
 C       1.51160  1    111.39862  1    282.56734  1    74  70  69   -0.20900
 C       1.52009  1    109.74437  1    282.93808  1    75  74  70    0.31850
 O       1.27889  1    117.97331  1    274.03156  1    76  75  74   -0.63250
 O       1.26354  1    121.58736  1     92.50002  1    76  75  74   -0.56900
 H       1.11818  1    111.28450  1     44.66555  1    75  74  70    0.06170
 H       1.12247  1    108.72457  1    164.07453  1    75  74  70    0.10190
 H       1.12151  1    110.38867  1     45.28073  1    74  70  69    0.08260
 H       1.12148  1    108.79425  1    161.62297  1    74  70  69    0.11000
 H       1.13601  1    107.98652  1    180.28974  1    70  69   3    0.15230
 H       1.00244  1    132.89581  1    180.27715  1    69   3   2    0.14640
 H       1.00271  1     63.71998  1     89.28664  1    69   3   2    0.13040
 N      11.56490  0     68.79739  0    322.18196  0     3   2   1   -0.33700
 C       1.46852  0    110.47555  0    288.43467  0    86   3   2   -0.09370
 C       1.52995  0    105.15846  0    155.37265  0    87  86   3    0.20230
 O       1.22685  0    122.41819  0    269.57918  0    88  87  86   -0.30230
 H       1.11131  1    115.27550  1     88.42657  1    88  87  86    0.08180
 C       1.54171  1    116.88479  1     32.77614  1    87  86   3   -0.12890
 C       1.51992  1    111.33469  1    313.32527  1    91  87  86   -0.16620
 C       1.50719  1    112.58541  1    185.71305  1    92  91  87   -0.20640
 H       1.11803  1    111.04916  1     69.13027  1    93  92  91    0.05580
 H       1.11820  1    109.91139  1    189.11817  1    93  92  91    0.09410
 H       1.11680  1    110.61473  1    308.65032  1    93  92  91    0.07220
 H       1.12272  1    109.71427  1    307.99727  1    92  91  87    0.08280
 H       1.12552  1    109.21258  1     65.44740  1    92  91  87    0.10180
 C       1.51390  1    108.97019  1    189.64482  1    91  87  86   -0.20140
 H       1.11689  1    110.73898  1     69.57589  1    99  91  87    0.06780
 H       1.11665  1    110.27045  1    189.61571  1    99  91  87    0.07660
 H       1.11751  1    110.20405  1    309.17386  1    99  91  87    0.06050
 H       1.12835  1    108.19048  1     71.86916  1    91  87  86    0.10930
 H       1.12958  1    107.41729  1    270.83577  1    87  86   3    0.10590
 H       1.00354  1     37.83935  1    193.20109  1    86   3   2    0.16040
 H       1.00351  1     72.91985  1     33.82752  1    86   3   2    0.16320
 N      16.87794  0     96.95425  0    285.61404  0     3   2   1   -0.32310
 C       1.46663  0     27.17430  0    209.52028  0   107   3   2   -0.06510
 C       1.52471  0    108.13509  0    213.77101  0   108 107   3    0.28210
 O       1.23815  0    116.57639  0    317.15529  0   109 108 107   -0.43380
 N       1.32775  0    118.30977  0    135.45248  0   109 108 107   -0.28580
 C       1.47342  0    117.86350  0    184.47984  0   111 109 108   -0.04370
 C       1.52829  0    110.25216  0    303.63816  0   112 111 109    0.18150
 O       1.23221  0    122.94278  0    317.80146  0   113 112 111   -0.29130
 H       1.11134  1    114.74472  1    138.62628  1   113 112 111    0.09750
 C       1.54206  1    106.75105  1    183.54957  1   112 111 109   -0.15300
 C       1.52717  1    106.39784  1      6.56059  1   116 112 111   -0.17630
 C       1.53735  1    106.97649  1    350.49226  1   117 116 112   -0.01220
 H       1.12582  1    111.30970  1    129.05484  1   118 117 116    0.09950
 H       1.12655  1    110.30012  1    249.93203  1   118 117 116    0.09550
 H       1.11871  1    110.59009  1    110.77434  1   117 116 112    0.11770
 H       1.12007  1    110.53763  1    230.93682  1   117 116 112    0.12420
 H       1.11805  1    110.97367  1    127.10348  1   116 112 111    0.10720
 H       1.11830  1    109.70590  1    247.15957  1   116 112 111    0.10760
 H       1.12522  1    108.85641  1     62.97543  1   112 111 109    0.11270
 C       1.54126  1    112.15079  1     93.84784  1   108 107   3   -0.11430
 C       1.48696  1    111.61066  1    226.28993  1   126 108 107   -0.09660
 C       1.40036  1    119.81902  1     76.96969  1   127 126 108   -0.11950
 C       1.39254  1    120.21018  1    179.64702  1   128 127 126   -0.14480
 C       1.39495  1    120.10314  1      0.00000  1   129 128 127   -0.12990
 C       1.39423  1    119.86809  1      0.07074  1   130 129 128   -0.13060
 C       1.39432  1    120.19795  1      0.00000  1   131 130 129   -0.11480
 H       1.10125  1    119.88343  1    179.36222  1   132 131 130    0.14480
 H       1.10288  1    119.88546  1    180.12729  1   131 130 129    0.14280
 H       1.10124  1    120.05619  1    179.89762  1   130 129 128    0.13850
 H       1.09977  1    119.98700  1    179.65568  1   129 128 127    0.12650
 H       1.10006  1    119.60517  1    359.24738  1   128 127 126    0.13210
 H       1.12441  1    109.91724  1    346.48252  1   126 108 107    0.09990
 H       1.12280  1    109.20185  1    103.89465  1   126 108 107    0.10240
 H       1.12996  1    106.61405  1    334.55603  1   108 107   3    0.12990
 H       1.00372  1    133.47885  1    242.23646  1   107   3   2    0.14630
 H       1.00202  1    105.19103  1    107.29339  1   107   3   2    0.14180
 N      16.72432  0    124.91452  0    276.79549  0     3   2   1   -0.35320
 C       1.46982  0     76.68359  0    213.57442  0   143   3   2   -0.04150
 C       1.52299  0    110.19106  0     52.87280  0   144 143   3    0.26690
 O       1.24638  0    120.17788  0    138.05139  0   145 144 143   -0.41290
 N       1.35028  0    117.73900  0    319.49297  0   145 144 143   -0.34840
 C       1.46683  0    116.78461  0    184.83260  0   147 145 144   -0.04160
 C       1.52793  0    113.40179  0    245.30481  0   148 147 145    0.20030
 O       1.22892  0    121.51607  0    191.21863  0   149 148 147   -0.35480
 H       1.11356  1    117.08399  1     11.27038  1   149 148 147    0.09930
 C       1.54527  1    112.54726  1    123.35764  1   148 147 145   -0.21950
 C       1.53206  1    114.66352  1    337.70498  1   152 148 147    0.31690
 O       1.26453  1    119.44654  1    250.74055  1   153 152 148   -0.56830
 O       1.26970  1    118.33631  1     71.24866  1   153 152 148   -0.59560
 H       1.12119  1    109.38222  1     97.69857  1   152 148 147    0.07850
 H       1.11780  1    107.97268  1    215.29013  1   152 148 147    0.08830
 H       1.13442  1    109.03617  1      3.45031  1   148 147 145    0.14880
 H       1.00332  1    122.38419  1    337.70317  1   147 145 144    0.27720
 C       1.52928  1    115.36246  1    283.71267  1   144 143   3   -0.13110
 C       1.50468  1    113.03230  1     91.19410  1   160 144 143   -0.21540
 C       1.51427  1    112.89247  1    175.41259  1   161 160 144    0.30880
 O       1.25562  1    123.08257  1     12.26189  1   162 161 160   -0.44800
 N       1.36534  1    115.56661  1    192.10717  1   162 161 160   -0.42300
 H       0.98668  1    120.32101  1    184.56465  1   164 162 161    0.20700
 H       1.00375  1    119.89101  1    359.02150  1   164 162 161    0.28260
 H       1.12680  1    110.99397  1    296.61458  1   161 160 144    0.14240
 H       1.12791  1    110.56187  1     54.87969  1   161 160 144    0.13640
 H       1.12296  1    107.70457  1    211.60471  1   160 144 143    0.09430
 H       1.12202  1    110.15381  1    327.85792  1   160 144 143    0.10370
 H       1.13500  1    105.07032  1    166.46166  1   144 143   3    0.10790
 H       1.00261  1     45.46118  1     75.98161  1   143   3   2    0.14310
 H       1.00172  1     94.28263  1    323.83265  1   143   3   2    0.15350
 N      13.04654  0    105.94724  0    247.79105  0     3   2   1   -0.33460
 C       1.46056  0     63.27013  0      7.06520  0   174   3   2   -0.10010
 C       1.52568  0    111.29303  0    196.21750  0   175 174   3    0.19400
 O       1.24426  0    120.37505  0    147.13265  0   176 175 174   -0.33180
 H       1.10950  1    117.89061  1    325.95140  1   176 175 174    0.10370
 C       1.54171  1    116.54180  1     73.86281  1   175 174   3   -0.14190
 C       1.48651  1    112.22885  1    278.11583  1   179 175 174   -0.09390
 C       1.39871  1    120.26659  1     78.12727  1   180 179 175   -0.13890
 C       1.39352  1    120.53511  1    176.73230  1   181 180 179   -0.12030
 C       1.39372  1    119.85880  1    359.87847  1   182 181 180   -0.13900
 C       1.39530  1    120.04056  1      0.70071  1   183 182 181   -0.15830
 C       1.39406  1    120.10593  1    359.55656  1   184 183 182   -0.13800
 H       1.10059  1    119.89561  1    181.47962  1   185 184 183    0.12710
 H       1.10298  1    119.57524  1    181.50101  1   184 183 182    0.14630
 H       1.10268  1    119.76080  1    182.00842  1   183 182 181    0.15120
 H       1.10280  1    119.76005  1    181.08759  1   182 181 180    0.15940
 H       1.10236  1    120.07085  1    357.69650  1   181 180 179    0.16170
 H       1.12347  1    109.74131  1     39.75555  1   179 175 174    0.10370
 H       1.12391  1    108.60547  1    157.00882  1   179 175 174    0.09680
 H       1.13449  1    106.82556  1    313.22122  1   175 174   3    0.12490
 H       1.00390  1     46.61253  1    177.13285  1   174   3   2    0.17080
 H       1.00400  1    130.19972  1    101.88365  1   174   3   2    0.15510
 N      13.97432  0     94.15818  0    232.02148  0     3   2   1   -0.33310
 C       1.46430  0     52.34679  0    324.34835  0   196   3   2   -0.10440
 C       1.53456  0    111.47344  0    135.31213  0   197 196   3    0.20070
 O       1.23123  0    117.86153  0    140.04507  0   198 197 196   -0.30710
 H       1.10726  1    118.09119  1    318.88503  1   198 197 196    0.11860
 C       1.53554  1    115.45699  1     12.76425  1   197 196   3   -0.16650
 C       1.48784  1    114.08791  1    301.16972  1   201 197 196   -0.07140
 C       1.39924  1    122.57667  1    329.33036  1   202 201 197   -0.15100
 C       1.39446  1    120.46485  1    180.82659  1   203 202 201   -0.12340
 C       1.39341  1    120.30712  1      0.39446  1   204 203 202   -0.12960
 C       1.39531  1    119.59991  1      0.09602  1   205 204 203   -0.12350
 C       1.39343  1    120.19507  1    359.56282  1   206 205 204   -0.13030
 H       1.10312  1    119.54778  1    180.09510  1   207 206 205    0.14190
 H       1.10244  1    119.93622  1    179.66736  1   206 205 204    0.15120
 H       1.10071  1    120.65572  1    180.45413  1   205 204 203    0.13530
 H       1.09966  1    119.68522  1    180.76536  1   204 203 202    0.12360
 H       1.09983  1    120.43275  1      0.88402  1   203 202 201    0.12820
 H       1.12661  1    108.73306  1     63.44277  1   201 197 196    0.11360
 H       1.12454  1    108.25124  1    180.01763  1   201 197 196    0.09920
 H       1.13145  1    106.60441  1    251.81915  1   197 196   3    0.11690
 H       1.00332  1     70.67950  1    189.68245  1   196   3   2    0.15650
 H       1.00455  1     89.77487  1     79.97312  1   196   3   2    0.15290
 N       8.60260  0    120.32027  0    196.08209  0     3   2   1   -0.32570
 C       1.47619  0     20.65117  0    143.41566  0   218   3   2   -0.11630
 C       1.52552  0    110.97429  0     90.17809  0   219 218   3    0.19850
 O       1.23450  0    120.01759  0    133.33311  0   220 219 218   -0.28750
 H       1.10905  1    117.25634  1    312.01879  1   220 219 218    0.09750
 C       1.54074  1    115.36726  1    326.87594  1   219 218   3   -0.13880
 C       1.48718  1    110.94936  1    219.48968  1   223 219 218   -0.10740
 C       1.40132  1    120.23606  1    283.73417  1   224 223 219   -0.12360
 C       1.39271  1    120.35320  1    180.07908  1   225 224 223   -0.11550
 C       1.39544  1    119.80094  1    359.19082  1   226 225 224   -0.12160
 C       1.39346  1    120.10482  1    359.87594  1   227 226 225   -0.13730
 C       1.39434  1    120.15225  1      0.88780  1   228 227 226   -0.14970
 H       1.09999  1    119.76286  1    179.94929  1   229 228 227    0.12620
 H       1.10231  1    119.34298  1    182.01268  1   228 227 226    0.13970
 H       1.10511  1    120.25088  1    179.36806  1   227 226 225    0.16500
 H       1.10337  1    120.41311  1    178.87782  1   226 225 224    0.16100
 H       1.10131  1    119.62714  1      0.93750  1   225 224 223    0.13990
 H       1.12332  1    109.93637  1    340.74274  1   223 219 218    0.08570
 H       1.12319  1    109.84726  1     97.94069  1   223 219 218    0.09330
 H       1.13443  1    106.11712  1    206.84972  1   219 218   3    0.14160
 H       1.00139  1    110.69745  1     54.61508  1   218   3   2    0.15000
 H       1.00150  1     90.47887  1    304.50146  1   218   3   2    0.13170
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32200
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11420
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21430
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31110
 H       1.10982  1    117.35040  1    309.63783  1   242 241 240    0.10250
 C       1.54654  1    114.41382  1    308.22161  1   241 240   3   -0.13180
 C       1.51433  1    110.51977  1    180.96896  1   245 241 240   -0.22120
 H       1.11816  1    110.81686  1     64.28182  1   246 245 241    0.11170
 H       1.11858  1    109.99404  1    184.53850  1   246 245 241    0.07440
 H       1.11802  1    110.89938  1    303.94670  1   246 245 241    0.08170
 C       1.51495  1    110.37832  1    302.57624  1   245 241 240   -0.22470
 H       1.11720  1    111.36697  1     69.80958  1   250 245 241    0.05010
 H       1.11803  1    110.02634  1    189.32143  1   250 245 241    0.08430
 H       1.11741  1    110.52997  1    308.80325  1   250 245 241    0.09470
 H       1.12906  1    108.37417  1     61.68297  1   245 241 240    0.09630
 H       1.13328  1    106.68000  1    189.24073  1   241 240   3    0.13970
 H       1.00186  1    121.60178  1     11.41293  1   240   3   2    0.14080
 H       1.00386  1     51.25171  1    282.39830  1   240   3   2    0.13620
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33390
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.09910
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19500
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.32810
 H       1.11280  1    116.42121  1     29.00575  1   260 259 258    0.09920
 C       1.53216  1    114.38031  1    323.29992  1   259 258   3   -0.20130
 C       1.52308  1    111.77248  1    280.71186  1   263 259 258   -0.10500
 C       1.51482  1    111.04267  1    154.61119  1   264 263 259   -0.21580
 H       1.11675  1    110.57608  1     63.97445  1   265 264 263    0.07010
 H       1.12104  1    109.51159  1    184.29629  1   265 264 263    0.11680
 H       1.11769  1    110.48975  1    303.59255  1   265 264 263    0.06380
 C       1.51585  1    110.93776  1    277.14012  1   264 263 259   -0.22340
 H       1.11646  1    110.67704  1     66.11379  1   269 264 263    0.05560
 H       1.11776  1    110.00939  1    186.30128  1   269 264 263    0.10090
 H       1.11884  1    110.82178  1    305.72611  1   269 264 263    0.08890
 H       1.12769  1    108.92744  1     36.67650  1   264 263 259    0.08440
 H       1.12385  1    109.73138  1     42.76109  1   263 259 258    0.09380
 H       1.12129  1    108.98392  1    159.94653  1   263 259 258    0.10900
 H       1.13636  1    106.64458  1    204.33189  1   259 258   3    0.12250
 H       1.00291  1    102.00121  1    292.36552  1   258   3   2    0.15870
 H       1.00403  1     30.46316  1    188.56281  1   258   3   2    0.14950
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33240
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.04040
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.27710
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.40580
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.31290
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.05230
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18560
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.28010
 H       1.11045  1    117.54882  1    334.52356  1   285 284 283    0.09720
 C       1.54102  1    107.57842  1    176.84726  1   284 283 281   -0.15930
 C       1.52328  1    106.41663  1      1.69692  1   288 284 283   -0.17220
 C       1.53815  1    106.71353  1      1.22751  1   289 288 284   -0.02680
 H       1.12615  1    108.76331  1    115.81895  1   290 289 288    0.06790
 H       1.12454  1    110.87962  1    235.24883  1   290 289 288    0.10490
 H       1.11778  1    110.98528  1    121.37892  1   289 288 284    0.08730
 H       1.11934  1    111.03476  1    241.31479  1   289 288 284    0.10750
 H       1.11847  1    110.80932  1    122.89503  1   288 284 283    0.09370
 H       1.12078  1    109.39464  1    241.70717  1   288 284 283    0.11920
 H       1.13355  1    108.83516  1     57.26521  1   284 283 281    0.15250
 C       1.53506  1    113.44508  1    340.94337  1   280 279   3   -0.08960
 C       1.47010  1    112.45632  1    312.08309  1   298 280 279   -0.14260
 C       1.39507  1    125.56377  1    118.91736  1   299 298 280   -0.08360
 N       1.39972  1    110.45692  1    181.58149  1   300 299 298   -0.21080
 C       1.40055  1    107.95474  1    356.52200  1   301 300 299   -0.00290
 C       1.44788  1    108.24910  1      3.15856  1   302 301 300   -0.04920
 C       1.39399  1    119.20587  1    178.49408  1   303 302 301   -0.06310
 C       1.38895  1    118.95159  1    359.69352  1   304 303 302   -0.16640
 C       1.40425  1    121.38970  1      0.11999  1   305 304 303   -0.12200
 C       1.38753  1    121.49692  1      0.00000  1   306 305 304   -0.16130
 H       1.09708  1    121.19882  1    179.67074  1   307 306 305    0.11940
 H       1.09963  1    119.09991  1    179.61444  1   306 305 304    0.11490
 H       1.09959  1    119.46818  1    179.50990  1   305 304 303    0.12650
 H       1.10087  1    120.34353  1    178.87838  1   304 303 302    0.15000
 H       0.98565  1    123.98329  1    197.90549  1   301 300 299    0.24050
 H       1.09649  1    129.51047  1      1.00452  1   300 299 298    0.18780
 H       1.12346  1    110.34049  1     74.78967  1   298 280 279    0.08530
 H       1.12552  1    107.47186  1    191.59751  1   298 280 279    0.12500
 H       1.13632  1    104.80575  1    224.14631  1   280 279   3    0.14230
 H       1.00044  1     51.85246  1    227.33133  1   279   3   2    0.14440
 H       0.99970  1    141.14362  1    154.42635  1   279   3   2    0.13880
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34110
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09430
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20650
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30630
 H       1.10830  1    116.31821  1    134.88750  1   321 320 319    0.09180
 C       1.54647  1    116.69082  1     51.17834  1   320 319   3   -0.13990
 C       1.52211  1    110.58571  1    296.15385  1   324 320 319   -0.16140
 C       1.50747  1    112.33193  1    169.32412  1   325 324 320   -0.21920
 H       1.11700  1    111.18310  1     65.07392  1   326 325 324    0.07760
 H       1.11895  1    110.06965  1    184.52260  1   326 325 324    0.09220
 H       1.11735  1    110.77836  1    304.39609  1   326 325 324    0.06880
 H       1.12381  1    109.29600  1    291.22782  1   325 324 320    0.08930
 H       1.12411  1    110.00525  1     48.73135  1   325 324 320    0.07940
 C       1.51505  1    109.38831  1    174.13525  1   324 320 319   -0.22170
 H       1.11778  1    110.65253  1     56.37698  1   332 324 320    0.07960
 H       1.11702  1    110.23034  1    176.03579  1   332 324 320    0.08860
 H       1.11733  1    110.75734  1    295.52230  1   332 324 320    0.06990
 H       1.12623  1    108.44256  1     55.29812  1   324 320 319    0.10770
 H       1.13358  1    105.91154  1    292.15191  1   320 319   3    0.10780
 H       1.00348  1     18.40891  1    318.27601  1   319   3   2    0.16490
 H       1.00320  1    108.92635  1    225.17997  1   319   3   2    0.15780
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.34940
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04790
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27150
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42530
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36020
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02500
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18540
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31970
 H       1.11430  1    115.58940  1    318.78926  1   346 345 344    0.12020
 C       1.54034  1    110.71537  1    159.20575  1   345 344 342   -0.17450
 C       1.52070  1    112.79427  1    186.80508  1   349 345 344   -0.10370
 C       1.51468  1    111.21210  1     76.77888  1   350 349 345   -0.20400
 H       1.11702  1    110.63967  1     59.63045  1   351 350 349    0.07480
 H       1.11647  1    110.19451  1    179.50553  1   351 350 349    0.06290
 H       1.11665  1    110.56527  1    299.43205  1   351 350 349    0.07610
 C       1.51566  1    109.88202  1    199.06675  1   350 349 345   -0.21900
 H       1.11730  1    110.75395  1     56.90472  1   355 350 349    0.06910
 H       1.11736  1    109.92185  1    176.52845  1   355 350 349    0.06340
 H       1.11747  1    110.76232  1    296.63952  1   355 350 349    0.09730
 H       1.12779  1    108.89257  1    317.65065  1   350 349 345    0.09240
 H       1.12290  1    109.22465  1    308.01899  1   349 345 344    0.10050
 H       1.12309  1    108.83482  1     64.72412  1   349 345 344    0.09280
 H       1.13259  1    107.80141  1     39.76126  1   345 344 342    0.11420
 H       1.00466  1    122.43952  1     11.11595  1   344 342 341    0.29600
 C       1.52223  1    114.20922  1    321.60265  1   341 340   3   -0.21740
 H       1.12000  1    111.31891  1     52.70676  1   364 341 340    0.11270
 H       1.11646  1    109.47725  1    173.51576  1   364 341 340    0.07170
 H       1.11679  1    110.00860  1    292.94554  1   364 341 340    0.08370
 H       1.13250  1    106.29834  1    202.06528  1   341 340   3    0.09920
 H       1.00670  1     41.11647  1     98.68954  1   340   3   2    0.18260
 H       1.00259  1    114.42954  1      9.64443  1   340   3   2    0.15090
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34810
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06680
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.27440
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38610
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37040
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03640
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18710
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31550
 H       1.11348  1    115.20163  1     61.79887  1   377 376 375    0.10170
 C       1.53709  1    112.70788  1    149.46393  1   376 375 373   -0.12530
 C       1.48635  1    112.88403  1    307.50386  1   380 376 375   -0.09120
 C       1.39973  1    120.61298  1    290.04381  1   381 380 376   -0.11760
 C       1.39491  1    120.43060  1    179.16775  1   382 381 380   -0.12250
 C       1.39555  1    119.80895  1      0.55361  1   383 382 381   -0.12840
 C       1.39489  1    120.17401  1    359.43376  1   384 383 382   -0.13940
 C       1.39399  1    119.92720  1      0.21700  1   385 384 383   -0.13950
 H       1.10053  1    119.83966  1    181.53969  1   386 385 384    0.12010
 H       1.10268  1    120.25492  1    181.56289  1   385 384 383    0.13550
 H       1.09999  1    119.69657  1    180.71537  1   384 383 382    0.12370
 H       1.10866  1    119.78454  1    182.58987  1   383 382 381    0.18570
 H       1.10050  1    119.92711  1      0.57054  1   382 381 380    0.13600
 H       1.12316  1    109.05371  1     70.52986  1   380 376 375    0.09880
 H       1.12291  1    107.12819  1    186.33736  1   380 376 375    0.09340
 H       1.13529  1    107.71939  1     29.38101  1   376 375 373    0.13920
 H       0.99654  1    121.41399  1    355.15991  1   375 373 372    0.24510
 C       1.54300  1    110.88936  1    314.48962  1   372 371   3   -0.08590
 C       1.47077  1    111.13718  1    190.51505  1   396 372 371   -0.12380
 N       1.39819  1    124.37494  1     69.63979  1   397 396 372   -0.18430
 C       1.39497  1    106.61516  1    182.98931  1   398 397 396   -0.09890
 N       1.35377  1    111.42437  1    358.00096  1   399 398 397   -0.17340
 C       1.38830  1    106.02159  1      1.16150  1   400 399 398   -0.19150
 H       1.09048  1    121.66383  1    179.72506  1   401 400 399    0.17520
 H       1.09596  1    123.31125  1    178.48911  1   399 398 397    0.20350
 H       0.99753  1    124.57347  1    351.22055  1   398 397 396    0.29290
 H       1.12652  1    108.44633  1    311.77597  1   396 372 371    0.11700
 H       1.12241  1    110.86472  1     69.89806  1   396 372 371    0.09030
 H       1.14235  1    107.27510  1    196.73565  1   372 371   3    0.19880
 H       0.99946  1     77.05024  1    175.00628  1   371   3   2    0.15310
 H       0.99837  1    136.04601  1     69.26292  1   371   3   2    0.14960
 H       4.53947  1    100.03154  1    341.81811  1     3   2   1    0.21130
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.44180
 H       0.96593  1    103.84945  1    321.37720  1   411 410   3    0.22390

