COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.258  -2.465  -0.009  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.303  -0.037   0.690  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.047   0.871   1.449  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.346   1.686   2.346  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.228   2.341   0.488  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.089   3.671  -0.196  1.00  0.00           C  
HETATM    7  C   UNL     1       0.115  -2.757   0.923  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.066  -3.183   0.052  1.00  0.00           C  
HETATM    9  C   UNL     1       0.716  -1.452   0.393  1.00  0.00           C  
HETATM   10  C   UNL     1       9.378   0.289   0.514  1.00  0.00           C  
HETATM   11  C   UNL     1       2.981  -0.658  -0.026  1.00  0.00           C  
HETATM   12  C   UNL     1       8.881   1.092  -0.495  1.00  0.00           C  
HETATM   13 CL   UNL     1       9.177  -1.572   2.470  1.00  0.00          Cl  
HETATM   14  C   UNL     1      -4.255  -0.180   0.932  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.518   0.953   1.325  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.190   2.132   1.640  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.559   2.207   1.505  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.281   1.104   1.062  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.622  -0.090   0.783  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.565  -1.391   0.723  1.00  0.00           N  
HETATM   21  N   UNL     1      -7.667   1.190   0.908  1.00  0.00           N  
HETATM   22  C   UNL     1       0.006  -0.292   1.040  1.00  0.00           C  
HETATM   23  N   UNL     1       2.142  -1.402   0.722  1.00  0.00           N  
HETATM   24  N   UNL     1       0.626   0.477   1.913  1.00  0.00           N  
HETATM   25  C   UNL     1       0.002   1.458   2.541  1.00  0.00           C  
HETATM   26  O   UNL     1      -7.539   3.328   0.322  1.00  0.00           O  
HETATM   27  O   UNL     1      -9.553   2.398   0.253  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.222  -3.662   0.931  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.497  -3.784   0.105  1.00  0.00           C  
HETATM   30  C   UNL     1       4.405  -0.608   0.302  1.00  0.00           C  
HETATM   31  O   UNL     1       2.553  -0.028  -0.976  1.00  0.00           O  
HETATM   32  C   UNL     1       5.245   0.137  -0.447  1.00  0.00           C  
HETATM   33  C   UNL     1       6.677   0.186  -0.117  1.00  0.00           C  
HETATM   34  C   UNL     1       7.534   1.049  -0.819  1.00  0.00           C  
HETATM   35  C   UNL     1       8.536  -0.564   1.210  1.00  0.00           C  
HETATM   36  C   UNL     1       7.191  -0.617   0.905  1.00  0.00           C  
HETATM   37  N   UNL     1       7.031   1.862  -1.840  1.00  0.00           N  
HETATM   38  C   UNL     1       7.228   3.189  -2.005  1.00  0.00           C  
HETATM   39  N   UNL     1       6.584   3.545  -3.086  1.00  0.00           N  
HETATM   40  N   UNL     1       5.994   2.535  -3.615  1.00  0.00           N  
HETATM   41  N   UNL     1       6.216   1.473  -2.918  1.00  0.00           N  
HETATM   42  C   UNL     1      -4.377  -2.092  -1.470  1.00  0.00           C  
HETATM   43  O   UNL     1      -3.626  -1.275  -1.947  1.00  0.00           O  
HETATM   44  O   UNL     1      -5.316  -2.670  -2.236  1.00  0.00           O  
HETATM   45  C   UNL     1      -6.496  -3.023  -4.337  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.372  -2.264  -3.629  1.00  0.00           C  
HETATM   47  H   UNL     1      -5.265  -2.598   0.401  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.764  -0.601  -0.105  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.858   2.453   2.906  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.892   4.434   0.556  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.612   3.954  -1.135  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.164   3.579  -0.348  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.225  -2.606   1.948  1.00  0.00           H  
HETATM   54  H   UNL     1       0.877  -3.537   0.909  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.390  -2.348  -0.565  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.750  -4.003  -0.600  1.00  0.00           H  
HETATM   57  H   UNL     1       0.586  -1.405  -0.687  1.00  0.00           H  
HETATM   58  H   UNL     1      10.429   0.323   0.759  1.00  0.00           H  
HETATM   59  H   UNL     1       9.544   1.754  -1.033  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.637   2.992   1.990  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.074   3.125   1.745  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.195  -0.945   0.454  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.671  -1.513   1.081  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.226   0.421   1.102  1.00  0.00           H  
HETATM   65  H   UNL     1       2.483  -1.904   1.478  1.00  0.00           H  
HETATM   66  H   UNL     1       0.555   2.091   3.218  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.965  -4.657   1.324  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.364  -3.000   1.778  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.152  -4.533   0.563  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.240  -4.133  -0.902  1.00  0.00           H  
HETATM   71  H   UNL     1       4.785  -1.167   1.145  1.00  0.00           H  
HETATM   72  H   UNL     1       4.865   0.696  -1.289  1.00  0.00           H  
HETATM   73  H   UNL     1       6.539  -1.283   1.451  1.00  0.00           H  
HETATM   74  H   UNL     1       7.809   3.835  -1.363  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.446  -2.798  -3.854  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.537  -2.718  -5.382  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.303  -4.095  -4.278  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.564  -1.192  -3.688  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.421  -2.490  -4.111  1.00  0.00           H  
CONECT    1   42   29   20   47                                       
CONECT    2   22   22    3   48                                       
CONECT    3    4    4    2   15                                       
CONECT    4   25    3    3   49                                       
CONECT    5   26   26   21   27                                       
CONECT    6   27   50   51   52                                       
CONECT    7    8    9   53   54                                       
CONECT    8    7   28   55   56                                       
CONECT    9    7   22   23   57                                       
CONECT   10   12   35   35   58                                       
CONECT   11   23   30   31   31                                       
CONECT   12   34   34   10   59                                       
CONECT   13   35                                                      
CONECT   14   15   20   19   19                                       
CONECT   15    3   16   16   14                                       
CONECT   16   15   15   17   60                                       
CONECT   17   16   18   18   61                                       
CONECT   18   17   17   19   21                                       
CONECT   19   14   14   18   62                                       
CONECT   20    1   14   63                                            
CONECT   21   18    5   64                                            
CONECT   22   24    9    2    2                                       
CONECT   23    9   11   65                                            
CONECT   24   25   25   22                                            
CONECT   25   24   24    4   66                                       
CONECT   26    5    5                                                 
CONECT   27    5    6                                                 
CONECT   28    8   29   67   68                                       
CONECT   29   28    1   69   70                                       
CONECT   30   32   32   11   71                                       
CONECT   31   11   11                                                 
CONECT   32   33   30   30   72                                       
CONECT   33   34   32   36   36                                       
CONECT   34   37   12   12   33                                       
CONECT   35   10   10   36   13                                       
CONECT   36   33   33   35   73                                       
CONECT   37   38   41   34                                            
CONECT   38   39   39   37   74                                       
CONECT   39   38   38   40                                            
CONECT   40   39   41   41                                            
CONECT   41   40   40   37                                            
CONECT   42   43   43    1   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   46                                                 
CONECT   45   46   75   76   77                                       
CONECT   46   44   45   78   79                                       
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   12                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   23                                                      
CONECT   66   25                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   32                                                      
CONECT   73   36                                                      
CONECT   74   38                                                      
CONECT   75   45                                                      
CONECT   76   45                                                      
CONECT   77   45                                                      
CONECT   78   46                                                      
CONECT   79   46                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
