COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -7.949   1.871   2.901  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -7.451   0.877   1.567  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.141   0.440   1.481  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.365   0.518   0.593  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.968  -0.273  -0.469  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.659  -0.706  -0.557  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.746  -0.352   0.419  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.319  -0.828   0.326  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.583   0.016  -0.618  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.280  -0.225  -0.863  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.717  -1.141  -0.303  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.523   0.644  -1.834  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.638   0.075  -3.270  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.367   0.662  -3.941  1.00  0.00           C  
HETATM   15  C   UNL     1       0.668   0.642  -2.797  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.080   0.615  -1.531  1.00  0.00           N  
HETATM   17  C   UNL     1       0.463   0.573  -0.298  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.251   0.459   0.675  1.00  0.00           O  
HETATM   19  C   UNL     1       1.958   0.666  -0.130  1.00  0.00           C  
HETATM   20  C   UNL     1       2.389   2.132  -0.208  1.00  0.00           C  
HETATM   21  C   UNL     1       3.916   2.218  -0.147  1.00  0.00           C  
HETATM   22  C   UNL     1       4.343   3.687  -0.117  1.00  0.00           C  
HETATM   23  N   UNL     1       5.804   3.769  -0.059  1.00  0.00           N  
HETATM   24  C   UNL     1       6.423   4.997  -0.024  1.00  0.00           C  
HETATM   25  N   UNL     1       5.669   6.147  -0.044  1.00  0.00           N  
HETATM   26  N   UNL     1       7.723   5.070   0.028  1.00  0.00           N  
HETATM   27  N   UNL     1       2.337   0.114   1.173  1.00  0.00           N  
HETATM   28  S   UNL     1       2.847  -1.458   1.290  1.00  0.00           S  
HETATM   29  O   UNL     1       3.063  -1.654   2.680  1.00  0.00           O  
HETATM   30  O   UNL     1       1.857  -2.200   0.590  1.00  0.00           O  
HETATM   31  C   UNL     1       4.422  -1.491   0.390  1.00  0.00           C  
HETATM   32  C   UNL     1       4.938  -2.905   0.333  1.00  0.00           C  
HETATM   33  C   UNL     1       4.584  -3.728  -0.721  1.00  0.00           C  
HETATM   34  C   UNL     1       5.057  -5.026  -0.774  1.00  0.00           C  
HETATM   35  C   UNL     1       5.885  -5.501   0.227  1.00  0.00           C  
HETATM   36  C   UNL     1       6.239  -4.678   1.280  1.00  0.00           C  
HETATM   37  C   UNL     1       5.769  -3.379   1.331  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.227  -1.569  -1.714  1.00  0.00           C  
HETATM   39  O   UNL     1      -7.341  -1.801  -2.578  1.00  0.00           O  
HETATM   40  H   UNL     1      -5.428   0.717   2.243  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.389   0.856   0.662  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.682  -0.554  -1.229  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.436  -1.065  -2.269  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.855  -2.522  -1.337  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.851  -0.769   1.308  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.303  -1.861  -0.023  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.033   0.749  -1.066  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.899   1.667  -1.800  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.607  -1.014  -3.263  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.541   0.436  -3.762  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.041   0.032  -4.767  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.547   1.683  -4.280  1.00  0.00           H  
HETATM   53  H   UNL     1       1.292  -0.248  -2.877  1.00  0.00           H  
HETATM   54  H   UNL     1       1.288   1.537  -2.842  1.00  0.00           H  
HETATM   55  H   UNL     1       2.449   0.100  -0.921  1.00  0.00           H  
HETATM   56  H   UNL     1       2.038   2.564  -1.145  1.00  0.00           H  
HETATM   57  H   UNL     1       1.961   2.682   0.630  1.00  0.00           H  
HETATM   58  H   UNL     1       2.290   0.669   1.967  1.00  0.00           H  
HETATM   59  H   UNL     1       4.272   1.718   0.753  1.00  0.00           H  
HETATM   60  H   UNL     1       4.342   1.733  -1.025  1.00  0.00           H  
HETATM   61  H   UNL     1       3.986   4.187  -1.018  1.00  0.00           H  
HETATM   62  H   UNL     1       3.916   4.172   0.761  1.00  0.00           H  
HETATM   63  H   UNL     1       6.336   2.958  -0.045  1.00  0.00           H  
HETATM   64  H   UNL     1       4.702   6.092  -0.082  1.00  0.00           H  
HETATM   65  H   UNL     1       6.106   7.013  -0.019  1.00  0.00           H  
HETATM   66  H   UNL     1       8.159   5.936   0.053  1.00  0.00           H  
HETATM   67  H   UNL     1       4.270  -1.118  -0.623  1.00  0.00           H  
HETATM   68  H   UNL     1       5.147  -0.860   0.905  1.00  0.00           H  
HETATM   69  H   UNL     1       3.938  -3.356  -1.502  1.00  0.00           H  
HETATM   70  H   UNL     1       6.049  -2.735   2.151  1.00  0.00           H  
HETATM   71  H   UNL     1       4.781  -5.668  -1.596  1.00  0.00           H  
HETATM   72  H   UNL     1       6.254  -6.515   0.186  1.00  0.00           H  
HETATM   73  H   UNL     1       6.885  -5.050   2.062  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.136  -2.351  -3.346  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    4    4                                       
CONECT    3    2    7    7   40                                       
CONECT    4    2    2    5   41                                       
CONECT    5    4    6    6   42                                       
CONECT    6    5    5    7   38                                       
CONECT    7    3    3    6    8                                       
CONECT    8    7    9   45   46                                       
CONECT    9    8   10   47                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   16   48                                       
CONECT   13   12   14   49   50                                       
CONECT   14   13   15   51   52                                       
CONECT   15   14   16   53   54                                       
CONECT   16   12   15   17                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   27   55                                       
CONECT   20   19   21   56   57                                       
CONECT   21   20   22   59   60                                       
CONECT   22   21   23   61   62                                       
CONECT   23   22   24   63                                            
CONECT   24   23   25   26   26                                       
CONECT   25   24   64   65                                            
CONECT   26   24   24   66                                            
CONECT   27   19   28   58                                            
CONECT   28   27   29   29   30                                       
CONECT   28   30   31                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   28   32   67   68                                       
CONECT   32   31   33   37   37                                       
CONECT   33   32   34   34   69                                       
CONECT   34   33   33   35   71                                       
CONECT   35   34   36   36   72                                       
CONECT   36   35   35   37   73                                       
CONECT   37   32   32   36   70                                       
CONECT   38    6   39   43   44                                       
CONECT   39   38   74                                                 
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43   38                                                      
CONECT   44   38                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   27                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   37                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   39                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
