COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.975  -3.003  -0.109  1.00  0.00           C  
HETATM    2  N   UNL     1      -9.740  -0.568   1.148  1.00  0.00           N  
HETATM    3  O   UNL     1      -8.332  -2.624   0.851  1.00  0.00           O  
HETATM    4 CL   UNL     1      -5.597   1.402   3.416  1.00  0.00          Cl  
HETATM    5  C   UNL     1     -10.081  -2.180  -0.627  1.00  0.00           C  
HETATM    6  N   UNL     1       9.741  -0.550  -1.180  1.00  0.00           N  
HETATM    7  O   UNL     1      -8.671  -4.175  -0.702  1.00  0.00           O  
HETATM    8 CL   UNL     1      -6.233   1.496  -1.956  1.00  0.00          Cl  
HETATM    9  C   UNL     1     -10.790  -2.588  -1.760  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.876   2.008   0.617  1.00  0.00           O  
HETATM   11 CL   UNL     1       5.604   1.520  -3.370  1.00  0.00          Cl  
HETATM   12  C   UNL     1     -11.824  -1.814  -2.239  1.00  0.00           C  
HETATM   13  O   UNL     1       4.884   2.018  -0.549  1.00  0.00           O  
HETATM   14 CL   UNL     1       6.252   1.426   2.000  1.00  0.00          Cl  
HETATM   15  C   UNL     1     -12.166  -0.630  -1.603  1.00  0.00           C  
HETATM   16  O   UNL     1       8.529  -4.096   0.697  1.00  0.00           O  
HETATM   17  C   UNL     1     -11.475  -0.213  -0.484  1.00  0.00           C  
HETATM   18  O   UNL     1       8.356  -2.632  -0.963  1.00  0.00           O  
HETATM   19  C   UNL     1     -10.433  -0.983   0.018  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.509   0.083   1.013  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.755   0.384   2.140  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.539   1.027   2.007  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.038   0.425  -0.248  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.822   1.069  -0.380  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.072   1.374   0.747  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.718   1.184   0.462  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.477   2.069   0.331  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.237   1.187   0.166  1.00  0.00           C  
HETATM   29  C   UNL     1       0.004   2.071   0.035  1.00  0.00           C  
HETATM   30  C   UNL     1       1.244   1.189  -0.131  1.00  0.00           C  
HETATM   31  C   UNL     1       2.485   2.074  -0.262  1.00  0.00           C  
HETATM   32  C   UNL     1       3.724   1.192  -0.427  1.00  0.00           C  
HETATM   33  C   UNL     1       6.079   1.386  -0.704  1.00  0.00           C  
HETATM   34  C   UNL     1       6.545   1.087  -1.977  1.00  0.00           C  
HETATM   35  C   UNL     1       7.759   0.446  -2.135  1.00  0.00           C  
HETATM   36  C   UNL     1       6.833   1.046   0.410  1.00  0.00           C  
HETATM   37  C   UNL     1       8.047   0.405   0.252  1.00  0.00           C  
HETATM   38  C   UNL     1       8.512   0.100  -1.020  1.00  0.00           C  
HETATM   39  C   UNL     1      10.438  -1.001  -0.067  1.00  0.00           C  
HETATM   40  C   UNL     1      11.505  -0.266   0.434  1.00  0.00           C  
HETATM   41  C   UNL     1      12.197  -0.716   1.540  1.00  0.00           C  
HETATM   42  C   UNL     1      11.834  -1.901   2.161  1.00  0.00           C  
HETATM   43  C   UNL     1      10.778  -2.644   1.680  1.00  0.00           C  
HETATM   44  C   UNL     1      10.064  -2.199   0.564  1.00  0.00           C  
HETATM   45  C   UNL     1       8.930  -2.985   0.048  1.00  0.00           C  
HETATM   46  H   UNL     1     -10.109  -0.730   2.030  1.00  0.00           H  
HETATM   47  H   UNL     1      10.106  -0.686  -2.068  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.935  -4.678  -0.329  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.528  -3.509  -2.259  1.00  0.00           H  
HETATM   50  H   UNL     1     -12.371  -2.130  -3.115  1.00  0.00           H  
HETATM   51  H   UNL     1     -12.978  -0.030  -1.987  1.00  0.00           H  
HETATM   52  H   UNL     1       7.781  -4.579   0.320  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.748   0.710   0.005  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.119   0.114   3.121  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.621   0.188  -1.125  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.613   0.538   1.334  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.824   0.572  -0.433  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.581   2.715  -0.540  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.370   2.681   1.227  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.132   0.540   1.037  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.344   0.575  -0.730  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.100   2.718  -0.836  1.00  0.00           H  
HETATM   63  H   UNL     1       0.111   2.683   0.931  1.00  0.00           H  
HETATM   64  H   UNL     1       1.348   0.543   0.741  1.00  0.00           H  
HETATM   65  H   UNL     1       1.137   0.577  -1.026  1.00  0.00           H  
HETATM   66  H   UNL     1       2.380   2.720  -1.133  1.00  0.00           H  
HETATM   67  H   UNL     1       2.592   2.686   0.634  1.00  0.00           H  
HETATM   68  H   UNL     1       3.618   0.580  -1.323  1.00  0.00           H  
HETATM   69  H   UNL     1       3.829   0.545   0.444  1.00  0.00           H  
HETATM   70  H   UNL     1       8.122   0.213  -3.125  1.00  0.00           H  
HETATM   71  H   UNL     1       8.635   0.140   1.119  1.00  0.00           H  
HETATM   72  H   UNL     1      11.795   0.659  -0.044  1.00  0.00           H  
HETATM   73  H   UNL     1      13.026  -0.141   1.924  1.00  0.00           H  
HETATM   74  H   UNL     1      12.382  -2.243   3.026  1.00  0.00           H  
HETATM   75  H   UNL     1      10.500  -3.566   2.167  1.00  0.00           H  
CONECT    1    3    3    5    7                                       
CONECT    2   19   20   46                                            
CONECT    3    1    1                                                 
CONECT    4   22                                                      
CONECT    5    1    9    9   19                                       
CONECT    6   38   39   47                                            
CONECT    7    1   48                                                 
CONECT    8   24                                                      
CONECT    9    5    5   12   49                                       
CONECT   10   25   26                                                 
CONECT   11   34                                                      
CONECT   12    9   15   15   50                                       
CONECT   13   32   33                                                 
CONECT   14   36                                                      
CONECT   15   12   12   17   51                                       
CONECT   16   45   52                                                 
CONECT   17   15   19   19   53                                       
CONECT   18   45   45                                                 
CONECT   19    2    5   17   17                                       
CONECT   20    2   21   21   23                                       
CONECT   21   20   20   22   54                                       
CONECT   22    4   21   25   25                                       
CONECT   23   20   24   24   55                                       
CONECT   24    8   23   23   25                                       
CONECT   25   10   22   22   24                                       
CONECT   26   10   27   56   57                                       
CONECT   27   26   28   58   59                                       
CONECT   28   27   29   60   61                                       
CONECT   29   28   30   62   63                                       
CONECT   30   29   31   64   65                                       
CONECT   31   30   32   66   67                                       
CONECT   32   13   31   68   69                                       
CONECT   33   13   34   34   36                                       
CONECT   34   11   33   33   35                                       
CONECT   35   34   38   38   70                                       
CONECT   36   14   33   37   37                                       
CONECT   37   36   36   38   71                                       
CONECT   38    6   35   35   37                                       
CONECT   39    6   40   40   44                                       
CONECT   40   39   39   41   72                                       
CONECT   41   40   42   42   73                                       
CONECT   42   41   41   43   74                                       
CONECT   43   42   44   44   75                                       
CONECT   44   39   43   43   45                                       
CONECT   45   16   18   18   44                                       
CONECT   46    2                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50   12                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   21                                                      
CONECT   55   23                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   32                                                      
CONECT   70   35                                                      
CONECT   71   37                                                      
CONECT   72   40                                                      
CONECT   73   41                                                      
CONECT   74   42                                                      
CONECT   75   43                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
