COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.407   0.344  -1.208  1.00  0.00           C  
HETATM    2  N   UNL     1      -6.827   1.132  -2.086  1.00  0.00           N1+
HETATM    3  C   UNL     1      -7.511   1.927  -2.896  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.873   1.979  -2.871  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.964   1.156  -1.868  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.601   0.357  -0.976  1.00  0.00           C  
HETATM    7  N   UNL     1     -11.323  -1.378   0.862  1.00  0.00           N  
HETATM    8  C   UNL     1     -10.136  -2.945   2.469  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.898  -3.393   2.875  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.739  -2.903   2.283  1.00  0.00           C  
HETATM   11  O   UNL     1      -6.524  -3.354   2.694  1.00  0.00           O  
HETATM   12  C   UNL     1      -7.820  -1.954   1.282  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.563   1.163  -1.958  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.897  -0.492  -0.110  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.238  -1.995   1.458  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.069  -1.498   0.859  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.502  -0.527  -0.154  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.802   0.324  -1.105  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.766  -4.309   3.729  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.364   1.132  -2.172  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.797   2.185  -1.217  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.331   2.185  -1.304  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.865   3.362  -0.562  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.337   3.426  -0.601  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.763   2.175   0.071  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.338   0.933  -0.617  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.866   0.999  -0.577  1.00  0.00           C  
HETATM   28  C   UNL     1       7.406   0.337   1.214  1.00  0.00           C  
HETATM   29  N   UNL     1       6.826   1.126   2.090  1.00  0.00           N1+
HETATM   30  C   UNL     1       7.510   1.918   2.902  1.00  0.00           C  
HETATM   31  C   UNL     1       8.872   1.971   2.877  1.00  0.00           C  
HETATM   32  C   UNL     1      10.963   1.152   1.872  1.00  0.00           C  
HETATM   33  C   UNL     1      11.600   0.355   0.978  1.00  0.00           C  
HETATM   34  N   UNL     1      11.323  -1.374  -0.866  1.00  0.00           N  
HETATM   35  C   UNL     1      10.139  -2.936  -2.479  1.00  0.00           C  
HETATM   36  C   UNL     1       8.901  -3.383  -2.888  1.00  0.00           C  
HETATM   37  C   UNL     1       7.742  -2.895  -2.294  1.00  0.00           C  
HETATM   38  O   UNL     1       6.527  -3.346  -2.708  1.00  0.00           O  
HETATM   39  C   UNL     1       7.821  -1.954  -1.285  1.00  0.00           C  
HETATM   40  C   UNL     1       9.562   1.158   1.961  1.00  0.00           C  
HETATM   41  C   UNL     1      10.897  -0.491   0.109  1.00  0.00           C  
HETATM   42  C   UNL     1      10.239  -1.989  -1.465  1.00  0.00           C  
HETATM   43  C   UNL     1       9.069  -1.495  -0.864  1.00  0.00           C  
HETATM   44  C   UNL     1       9.501  -0.527   0.152  1.00  0.00           C  
HETATM   45  C   UNL     1       8.801   0.320   1.106  1.00  0.00           C  
HETATM   46  C   UNL     1       6.771  -4.297  -3.746  1.00  0.00           C  
HETATM   47  C   UNL     1       5.363   1.126   2.176  1.00  0.00           C  
HETATM   48  C   UNL     1       4.796   2.182   1.225  1.00  0.00           C  
HETATM   49  N   UNL     1       3.330   2.181   1.311  1.00  0.00           N  
HETATM   50  C   UNL     1       2.864   3.360   0.573  1.00  0.00           C  
HETATM   51  C   UNL     1       1.336   3.425   0.612  1.00  0.00           C  
HETATM   52  C   UNL     1       0.761   2.176  -0.064  1.00  0.00           C  
HETATM   53  C   UNL     1       1.337   0.931   0.620  1.00  0.00           C  
HETATM   54  C   UNL     1       2.865   0.997   0.580  1.00  0.00           C  
HETATM   55  H   UNL     1      -6.808  -0.287  -0.569  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.975   2.551  -3.595  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.411   2.633  -3.541  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.543   1.795  -2.519  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.680   0.374  -0.932  1.00  0.00           H  
HETATM   60  H   UNL     1     -12.250  -1.543   1.094  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.030  -3.333   2.936  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.827  -4.131   3.660  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.919  -1.568   0.826  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.298  -3.828   4.550  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.370  -5.127   3.335  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.816  -4.701   4.091  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.984   0.149  -1.895  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.061   1.366  -3.192  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.178   3.168  -1.494  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.101   1.952  -0.197  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.278   4.263  -1.016  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.199   3.293   0.474  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.001   3.470  -1.637  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.997   4.314  -0.068  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.037   2.169   1.126  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.002   0.902  -1.653  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.998   0.038  -0.096  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.200   1.055   0.459  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.279   0.104  -1.042  1.00  0.00           H  
HETATM   80  H   UNL     1       6.807  -0.295   0.575  1.00  0.00           H  
HETATM   81  H   UNL     1       6.974   2.540   3.603  1.00  0.00           H  
HETATM   82  H   UNL     1       9.410   2.624   3.548  1.00  0.00           H  
HETATM   83  H   UNL     1      11.542   1.790   2.524  1.00  0.00           H  
HETATM   84  H   UNL     1      12.679   0.373   0.934  1.00  0.00           H  
HETATM   85  H   UNL     1      12.251  -1.538  -1.097  1.00  0.00           H  
HETATM   86  H   UNL     1      11.033  -3.322  -2.946  1.00  0.00           H  
HETATM   87  H   UNL     1       8.831  -4.118  -3.676  1.00  0.00           H  
HETATM   88  H   UNL     1       6.920  -1.576  -0.825  1.00  0.00           H  
HETATM   89  H   UNL     1       5.821  -4.688  -4.111  1.00  0.00           H  
HETATM   90  H   UNL     1       7.303  -3.813  -4.564  1.00  0.00           H  
HETATM   91  H   UNL     1       7.374  -5.116  -3.354  1.00  0.00           H  
HETATM   92  H   UNL     1       5.060   1.356   3.197  1.00  0.00           H  
HETATM   93  H   UNL     1       4.983   0.143   1.896  1.00  0.00           H  
HETATM   94  H   UNL     1       5.100   1.951   0.203  1.00  0.00           H  
HETATM   95  H   UNL     1       5.177   3.164   1.504  1.00  0.00           H  
HETATM   96  H   UNL     1       3.198   3.295  -0.463  1.00  0.00           H  
HETATM   97  H   UNL     1       3.277   4.260   1.029  1.00  0.00           H  
HETATM   98  H   UNL     1       0.995   4.314   0.082  1.00  0.00           H  
HETATM   99  H   UNL     1       1.000   3.465   1.648  1.00  0.00           H  
HETATM  100  H   UNL     1       1.035   2.173  -1.119  1.00  0.00           H  
HETATM  101  H   UNL     1       1.001   0.897   1.656  1.00  0.00           H  
HETATM  102  H   UNL     1       0.997   0.038   0.096  1.00  0.00           H  
HETATM  103  H   UNL     1       3.199   1.056  -0.456  1.00  0.00           H  
HETATM  104  H   UNL     1       3.278   0.101   1.043  1.00  0.00           H  
CONECT    1    2    2   18   55                                       
CONECT    2    1    1    3   20                                       
CONECT    3    2    4    4   56                                       
CONECT    4    3    3   13   57                                       
CONECT    5    6    6   13   58                                       
CONECT    6    5    5   14   59                                       
CONECT    7   14   15   60                                            
CONECT    8    9    9   15   61                                       
CONECT    9    8    8   10   62                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10   19                                                 
CONECT   12   10   10   16   63                                       
CONECT   13    4    5   18   18                                       
CONECT   14    6    7   17   17                                       
CONECT   15    7    8   16   16                                       
CONECT   16   12   15   15   17                                       
CONECT   17   14   14   16   18                                       
CONECT   18    1   13   13   17                                       
CONECT   19   11   64   65   66                                       
CONECT   20    2   21   67   68                                       
CONECT   21   20   22   69   70                                       
CONECT   22   21   23   27                                            
CONECT   23   22   24   71   72                                       
CONECT   24   23   25   73   74                                       
CONECT   25   24   26   52   75                                       
CONECT   26   25   27   76   77                                       
CONECT   27   22   26   78   79                                       
CONECT   28   29   29   45   80                                       
CONECT   29   28   28   30   47                                       
CONECT   30   29   31   31   81                                       
CONECT   31   30   30   40   82                                       
CONECT   32   33   33   40   83                                       
CONECT   33   32   32   41   84                                       
CONECT   34   41   42   85                                            
CONECT   35   36   36   42   86                                       
CONECT   36   35   35   37   87                                       
CONECT   37   36   38   39   39                                       
CONECT   38   37   46                                                 
CONECT   39   37   37   43   88                                       
CONECT   40   31   32   45   45                                       
CONECT   41   33   34   44   44                                       
CONECT   42   34   35   43   43                                       
CONECT   43   39   42   42   44                                       
CONECT   44   41   41   43   45                                       
CONECT   45   28   40   40   44                                       
CONECT   46   38   89   90   91                                       
CONECT   47   29   48   92   93                                       
CONECT   48   47   49   94   95                                       
CONECT   49   48   50   54                                            
CONECT   50   49   51   96   97                                       
CONECT   51   50   52   98   99                                       
CONECT   52   25   51   53  100                                       
CONECT   53   52   54  101  102                                       
CONECT   54   49   53  103  104                                       
CONECT   55    1                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   12                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   39                                                      
CONECT   89   46                                                      
CONECT   90   46                                                      
CONECT   91   46                                                      
CONECT   92   47                                                      
CONECT   93   47                                                      
CONECT   94   48                                                      
CONECT   95   48                                                      
CONECT   96   50                                                      
CONECT   97   50                                                      
CONECT   98   51                                                      
CONECT   99   51                                                      
CONECT  100   52                                                      
CONECT  101   53                                                      
CONECT  102   53                                                      
CONECT  103   54                                                      
CONECT  104   54                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
