COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      15.087   0.245   1.053  1.00  0.00           C  
HETATM    2  C   UNL     1       4.021   0.973  -0.101  1.00  0.00           C  
HETATM    3  C   UNL     1      14.747  -1.003   0.566  1.00  0.00           C  
HETATM    4  C   UNL     1      13.425  -1.309   0.308  1.00  0.00           C  
HETATM    5  C   UNL     1       8.772  -0.162   0.231  1.00  0.00           C  
HETATM    6  C   UNL     1      13.055  -2.670  -0.223  1.00  0.00           C  
HETATM    7  C   UNL     1      12.959  -2.613  -1.749  1.00  0.00           C  
HETATM    8  C   UNL     1      12.583  -3.995  -2.288  1.00  0.00           C  
HETATM    9  C   UNL     1      10.171   0.356   0.569  1.00  0.00           C  
HETATM   10  C   UNL     1       7.753   0.966   0.410  1.00  0.00           C  
HETATM   11  C   UNL     1       5.404   1.528   0.245  1.00  0.00           C  
HETATM   12  N   UNL     1       6.410   0.469   0.084  1.00  0.00           N  
HETATM   13  N   UNL     1       1.252   0.928  -1.415  1.00  0.00           N  
HETATM   14  C   UNL     1      14.105   1.189   1.289  1.00  0.00           C  
HETATM   15  N   UNL     1       0.010   0.600  -1.339  1.00  0.00           N  
HETATM   16  C   UNL     1      12.437  -0.361   0.539  1.00  0.00           C  
HETATM   17  C   UNL     1       2.973   2.076   0.066  1.00  0.00           C  
HETATM   18  C   UNL     1       1.610   1.530  -0.275  1.00  0.00           C  
HETATM   19  C   UNL     1       0.509   1.552   0.511  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.854   0.748   0.246  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.818   1.356  -0.775  1.00  0.00           C  
HETATM   22  C   UNL     1      12.780   0.886   1.038  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.259   1.141  -0.308  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.222   1.749  -1.329  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.641   1.537  -0.868  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.257   2.482  -0.069  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.558   2.290   0.354  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.247   1.147  -0.024  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.627   0.199  -0.826  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.328   0.399  -1.251  1.00  0.00           C  
HETATM   31  C   UNL     1     -11.174  -0.245  -0.036  1.00  0.00           C  
HETATM   32  C   UNL     1     -12.597  -0.284   0.526  1.00  0.00           C  
HETATM   33  C   UNL     1     -13.248  -1.623   0.174  1.00  0.00           C  
HETATM   34  C   UNL     1     -15.271  -2.936   0.394  1.00  0.00           C  
HETATM   35  C   UNL     1     -14.896  -3.981   1.446  1.00  0.00           C  
HETATM   36  C   UNL     1     -16.788  -2.739   0.387  1.00  0.00           C  
HETATM   37  N   UNL     1      -0.475   0.955  -0.201  1.00  0.00           N  
HETATM   38  N   UNL     1     -14.613  -1.661   0.714  1.00  0.00           N  
HETATM   39  O   UNL     1      11.135  -0.661   0.291  1.00  0.00           O  
HETATM   40  O   UNL     1       8.441  -1.245   1.102  1.00  0.00           O  
HETATM   41  O   UNL     1     -10.526   0.955   0.392  1.00  0.00           O  
HETATM   42  O   UNL     1     -13.363   0.781  -0.040  1.00  0.00           O  
HETATM   43  H   UNL     1      16.122   0.483   1.253  1.00  0.00           H  
HETATM   44  H   UNL     1       4.018   0.623  -1.133  1.00  0.00           H  
HETATM   45  H   UNL     1       3.784   0.144   0.565  1.00  0.00           H  
HETATM   46  H   UNL     1      15.516  -1.740   0.386  1.00  0.00           H  
HETATM   47  H   UNL     1       8.752  -0.508  -0.803  1.00  0.00           H  
HETATM   48  H   UNL     1      13.818  -3.392   0.067  1.00  0.00           H  
HETATM   49  H   UNL     1      12.093  -2.972   0.191  1.00  0.00           H  
HETATM   50  H   UNL     1      12.196  -1.890  -2.038  1.00  0.00           H  
HETATM   51  H   UNL     1      13.921  -2.311  -2.163  1.00  0.00           H  
HETATM   52  H   UNL     1      13.346  -4.718  -1.998  1.00  0.00           H  
HETATM   53  H   UNL     1      11.621  -4.297  -1.874  1.00  0.00           H  
HETATM   54  H   UNL     1      12.515  -3.955  -3.375  1.00  0.00           H  
HETATM   55  H   UNL     1      10.388   1.237  -0.034  1.00  0.00           H  
HETATM   56  H   UNL     1      10.215   0.619   1.626  1.00  0.00           H  
HETATM   57  H   UNL     1       7.773   1.313   1.443  1.00  0.00           H  
HETATM   58  H   UNL     1       8.006   1.792  -0.255  1.00  0.00           H  
HETATM   59  H   UNL     1       5.640   2.358  -0.421  1.00  0.00           H  
HETATM   60  H   UNL     1       5.407   1.878   1.277  1.00  0.00           H  
HETATM   61  H   UNL     1       6.383   0.083  -0.847  1.00  0.00           H  
HETATM   62  H   UNL     1      14.373   2.164   1.669  1.00  0.00           H  
HETATM   63  H   UNL     1       2.976   2.426   1.098  1.00  0.00           H  
HETATM   64  H   UNL     1       3.209   2.906  -0.600  1.00  0.00           H  
HETATM   65  H   UNL     1       0.431   1.963   1.507  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.998   1.230   1.213  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.050  -0.320   0.339  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.622   2.425  -0.868  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.674   0.875  -1.742  1.00  0.00           H  
HETATM   70  H   UNL     1      12.013   1.625   1.219  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.455   0.072  -0.215  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.403   1.622   0.660  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.027   2.817  -1.422  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.078   1.268  -2.296  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.720   3.372   0.225  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.038   3.029   0.979  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.162  -0.692  -1.121  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.847  -0.336  -1.879  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.616  -1.108   0.327  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.213  -0.269  -1.125  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.563  -0.171   1.610  1.00  0.00           H  
HETATM   82  H   UNL     1     -13.282  -1.737  -0.910  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.663  -2.436   0.606  1.00  0.00           H  
HETATM   84  H   UNL     1     -14.944  -3.276  -0.589  1.00  0.00           H  
HETATM   85  H   UNL     1     -13.815  -4.121   1.451  1.00  0.00           H  
HETATM   86  H   UNL     1     -15.222  -3.641   2.429  1.00  0.00           H  
HETATM   87  H   UNL     1     -15.384  -4.927   1.209  1.00  0.00           H  
HETATM   88  H   UNL     1     -17.114  -2.399   1.370  1.00  0.00           H  
HETATM   89  H   UNL     1     -17.055  -1.995  -0.363  1.00  0.00           H  
HETATM   90  H   UNL     1     -17.276  -3.685   0.150  1.00  0.00           H  
HETATM   91  H   UNL     1     -14.614  -1.494   1.709  1.00  0.00           H  
HETATM   92  H   UNL     1       8.438  -1.008   2.040  1.00  0.00           H  
HETATM   93  H   UNL     1     -13.435   0.744  -1.003  1.00  0.00           H  
CONECT    1   14   14    3   43                                       
CONECT    2   11   17   44   45                                       
CONECT    3    1    4    4   46                                       
CONECT    4   16    3    3    6                                       
CONECT    5    9   10   40   47                                       
CONECT    6    4    7   48   49                                       
CONECT    7    6    8   50   51                                       
CONECT    8    7   52   53   54                                       
CONECT    9   39    5   55   56                                       
CONECT   10    5   12   57   58                                       
CONECT   11   12    2   59   60                                       
CONECT   12   10   11   61                                            
CONECT   13   18   15   15                                            
CONECT   14   22    1    1   62                                       
CONECT   15   13   13   37                                            
CONECT   16   22   22    4   39                                       
CONECT   17    2   18   63   64                                       
CONECT   18   17   13   19   19                                       
CONECT   19   18   18   37   65                                       
CONECT   20   37   21   66   67                                       
CONECT   21   20   23   68   69                                       
CONECT   22   16   16   14   70                                       
CONECT   23   21   24   71   72                                       
CONECT   24   23   25   73   74                                       
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27   75                                       
CONECT   27   26   28   28   76                                       
CONECT   28   27   27   29   41                                       
CONECT   29   28   30   30   77                                       
CONECT   30   25   29   29   78                                       
CONECT   31   41   32   79   80                                       
CONECT   32   31   33   42   81                                       
CONECT   33   32   38   82   83                                       
CONECT   34   38   35   36   84                                       
CONECT   35   34   85   86   87                                       
CONECT   36   34   88   89   90                                       
CONECT   37   15   19   20                                            
CONECT   38   33   34   91                                            
CONECT   39   16    9                                                 
CONECT   40    5   92                                                 
CONECT   41   28   31                                                 
CONECT   42   32   93                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   14                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   36                                                      
CONECT   91   38                                                      
CONECT   92   40                                                      
CONECT   93   42                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
