COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.227   2.385   0.101  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.921   2.624   0.470  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.603   0.849   1.214  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.773   0.014   0.030  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.033   1.560   0.621  1.00  0.00           C  
HETATM    6  O   UNL     1      10.557   3.013   1.227  1.00  0.00           O  
HETATM    7  C   UNL     1      10.311   2.063   0.312  1.00  0.00           C  
HETATM    8  O   UNL     1      11.206   1.347  -0.072  1.00  0.00           O  
HETATM    9  C   UNL     1       8.919   1.890  -0.239  1.00  0.00           C  
HETATM   10  C   UNL     1       8.912   0.749  -1.258  1.00  0.00           C  
HETATM   11  C   UNL     1       7.498   0.573  -1.817  1.00  0.00           C  
HETATM   12  C   UNL     1       7.515  -0.467  -2.907  1.00  0.00           C  
HETATM   13  N   UNL     1       8.278  -0.282  -4.003  1.00  0.00           N  
HETATM   14  O   UNL     1       6.842  -1.470  -2.799  1.00  0.00           O  
HETATM   15  N   UNL     1       6.599   0.141  -0.744  1.00  0.00           N  
HETATM   16  C   UNL     1       5.278   0.395  -0.829  1.00  0.00           C  
HETATM   17  O   UNL     1       4.834   0.981  -1.793  1.00  0.00           O  
HETATM   18  C   UNL     1       4.353  -0.049   0.275  1.00  0.00           C  
HETATM   19  C   UNL     1       4.428  -1.570   0.422  1.00  0.00           C  
HETATM   20  C   UNL     1       3.586  -2.009   1.622  1.00  0.00           C  
HETATM   21  C   UNL     1       3.660  -3.507   1.766  1.00  0.00           C  
HETATM   22  O   UNL     1       2.994  -4.120   2.758  1.00  0.00           O  
HETATM   23  O   UNL     1       4.319  -4.157   0.990  1.00  0.00           O  
HETATM   24  N   UNL     1       2.980   0.342  -0.052  1.00  0.00           N  
HETATM   25  C   UNL     1       2.078   0.522   0.934  1.00  0.00           C  
HETATM   26  O   UNL     1       2.403   0.360   2.091  1.00  0.00           O  
HETATM   27  C   UNL     1       0.665   0.925   0.598  1.00  0.00           C  
HETATM   28  C   UNL     1       0.029  -0.142  -0.295  1.00  0.00           C  
HETATM   29  C   UNL     1       0.046  -1.469   0.418  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.413  -2.574  -0.202  1.00  0.00           N  
HETATM   31  O   UNL     1      -0.396  -3.821   0.468  1.00  0.00           O  
HETATM   32  O   UNL     1       0.474  -1.543   1.551  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.147   1.062   1.887  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.523   1.583   1.562  1.00  0.00           C  
HETATM   35  O   UNL     1      -1.913   2.866   1.561  1.00  0.00           O  
HETATM   36  N   UNL     1      -3.078   2.982   1.259  1.00  0.00           N  
HETATM   37  C   UNL     1      -3.627   1.817   1.018  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.467   0.253   0.399  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.662   1.078  -0.116  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.067   0.821  -0.514  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.504  -0.484  -0.735  1.00  0.00           C  
HETATM   42  C   UNL     1      -9.958   1.883  -0.661  1.00  0.00           C  
HETATM   43  C   UNL     1     -11.265   1.639  -1.031  1.00  0.00           C  
HETATM   44  C   UNL     1     -11.693   0.342  -1.255  1.00  0.00           C  
HETATM   45  C   UNL     1     -10.814  -0.717  -1.105  1.00  0.00           C  
HETATM   46 CL   UNL     1     -11.360  -2.342  -1.383  1.00  0.00          Cl  
HETATM   47  H   UNL     1      -7.914   3.210  -0.016  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.585   3.636   0.641  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.671  -0.224   1.105  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.108  -0.998  -0.146  1.00  0.00           H  
HETATM   51  H   UNL     1      11.466   3.086   1.551  1.00  0.00           H  
HETATM   52  H   UNL     1       8.233   1.656   0.575  1.00  0.00           H  
HETATM   53  H   UNL     1       8.603   2.813  -0.725  1.00  0.00           H  
HETATM   54  H   UNL     1       9.598   0.984  -2.072  1.00  0.00           H  
HETATM   55  H   UNL     1       9.227  -0.174  -0.771  1.00  0.00           H  
HETATM   56  H   UNL     1       7.148   1.521  -2.224  1.00  0.00           H  
HETATM   57  H   UNL     1       8.816   0.520  -4.089  1.00  0.00           H  
HETATM   58  H   UNL     1       8.289  -0.951  -4.705  1.00  0.00           H  
HETATM   59  H   UNL     1       6.954  -0.328   0.027  1.00  0.00           H  
HETATM   60  H   UNL     1       4.652   0.421   1.212  1.00  0.00           H  
HETATM   61  H   UNL     1       4.045  -2.042  -0.483  1.00  0.00           H  
HETATM   62  H   UNL     1       5.465  -1.870   0.577  1.00  0.00           H  
HETATM   63  H   UNL     1       3.969  -1.537   2.526  1.00  0.00           H  
HETATM   64  H   UNL     1       2.549  -1.710   1.467  1.00  0.00           H  
HETATM   65  H   UNL     1       3.072  -5.082   2.810  1.00  0.00           H  
HETATM   66  H   UNL     1       2.719   0.472  -0.977  1.00  0.00           H  
HETATM   67  H   UNL     1       0.675   1.880   0.072  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.001   0.138  -0.518  1.00  0.00           H  
HETATM   69  H   UNL     1       0.593  -0.221  -1.224  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.754  -2.515  -1.108  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.745  -4.554  -0.057  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.232   0.087   2.368  1.00  0.00           H  
HETATM   73  H   UNL     1       0.355   1.756   2.561  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.779  -0.571   0.513  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.819  -1.310  -0.619  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.626   2.896  -0.485  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.956   2.461  -1.145  1.00  0.00           H  
HETATM   78  H   UNL     1     -12.716   0.156  -1.543  1.00  0.00           H  
CONECT    1   39   39    2   47                                       
CONECT    2    5    5    1   48                                       
CONECT    3   34   34   37   49                                       
CONECT    4   38   38   39   50                                       
CONECT    5   38   37    2    2                                       
CONECT    6    7   51                                                 
CONECT    7    9    8    8    6                                       
CONECT    8    7    7                                                 
CONECT    9   10    7   52   53                                       
CONECT   10   11    9   54   55                                       
CONECT   11   15   12   10   56                                       
CONECT   12   13   11   14   14                                       
CONECT   13   12   57   58                                            
CONECT   14   12   12                                                 
CONECT   15   16   11   59                                            
CONECT   16   18   17   17   15                                       
CONECT   17   16   16                                                 
CONECT   18   24   19   16   60                                       
CONECT   19   20   18   61   62                                       
CONECT   20   21   19   63   64                                       
CONECT   21   23   23   22   20                                       
CONECT   22   21   65                                                 
CONECT   23   21   21                                                 
CONECT   24   25   18   66                                            
CONECT   25   27   24   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   28   33   25   67                                       
CONECT   28   29   27   68   69                                       
CONECT   29   32   32   30   28                                       
CONECT   30   31   29   70                                            
CONECT   31   30   71                                                 
CONECT   32   29   29                                                 
CONECT   33   27   34   72   73                                       
CONECT   34   33    3    3   35                                       
CONECT   35   34   36                                                 
CONECT   36   37   37   35                                            
CONECT   37    3    5   36   36                                       
CONECT   38    4    4    5   74                                       
CONECT   39    4   40    1    1                                       
CONECT   40   39   41   41   42                                       
CONECT   41   40   40   45   75                                       
CONECT   42   40   43   43   76                                       
CONECT   43   42   42   44   77                                       
CONECT   44   45   45   43   78                                       
CONECT   45   41   46   44   44                                       
CONECT   46   45                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    6                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   38                                                      
CONECT   75   41                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
CONECT   78   44                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
