COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.252   0.160   1.522  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.311  -1.182   0.770  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.540   1.191   0.730  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.762   0.680  -0.397  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.694  -0.032  -1.372  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.623  -0.968  -0.668  1.00  0.00           N  
HETATM    7  S   UNL     1      -4.272  -0.896  -1.103  1.00  0.00           S  
HETATM    8  O   UNL     1      -4.729   0.473  -0.993  1.00  0.00           O  
HETATM    9  O   UNL     1      -4.979  -1.974  -0.446  1.00  0.00           O  
HETATM   10  C   UNL     1      -4.155  -1.289  -2.820  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.347  -0.524  -3.949  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.121  -1.355  -5.081  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.165  -1.149  -6.474  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.879  -2.218  -7.332  1.00  0.00           C  
HETATM   15 CL   UNL     1      -3.930  -1.975  -9.037  1.00  0.00          Cl  
HETATM   16  C   UNL     1      -3.792  -2.624  -4.599  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.820  -2.555  -3.224  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.503  -3.701  -5.444  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.553  -3.473  -6.822  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.596   2.573   0.944  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.036   3.424   0.253  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.396   3.084   2.067  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.754   3.216   3.239  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.518   3.687   4.247  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.852   4.012   4.110  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.386   3.828   2.852  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.681   3.362   1.799  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.636   4.512   5.211  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.338   4.131   6.518  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.122   4.640   7.541  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.160   5.485   7.350  1.00  0.00           N  
HETATM   32  C   UNL     1      -6.422   5.835   6.071  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.699   5.382   4.979  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.581  -0.055   2.880  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.368  -0.998   3.801  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.792  -0.505   4.066  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.412  -2.397   3.184  1.00  0.00           C  
HETATM   38  H   UNL     1      -3.270   0.528   1.690  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.356  -1.718   0.832  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.058  -1.844   1.225  1.00  0.00           H  
HETATM   41  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.234   1.487  -0.914  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.280   0.717  -1.918  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.115  -0.599  -2.108  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.623   0.522  -3.957  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.419  -0.169  -6.870  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.620  -3.328  -2.605  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.251  -4.679  -5.048  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.333  -4.300  -7.495  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.999   3.794   5.195  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.426   4.053   2.635  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.519   3.455   6.741  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.929   4.372   8.574  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.259   6.513   5.941  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.963   5.704   3.977  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.570  -0.438   2.713  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.481   0.923   3.358  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.846  -1.071   4.764  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.340  -0.355   3.130  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.790   0.441   4.616  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.347  -1.230   4.671  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.928  -2.390   2.218  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.936  -3.097   3.843  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.400  -2.785   3.025  1.00  0.00           H  
CONECT    1    2    3   34   38                                       
CONECT    2    1    6   39   40                                       
CONECT    3    1    4   20                                            
CONECT    4    3    5   41   42                                       
CONECT    5    4    6   43   44                                       
CONECT    6    2    5    7                                            
CONECT    7    6    8    8    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   11   11   17                                       
CONECT   11   10   10   12   45                                       
CONECT   12   11   13   13   16                                       
CONECT   13   12   12   14   46                                       
CONECT   14   13   15   19   19                                       
CONECT   15   14                                                      
CONECT   16   12   17   18   18                                       
CONECT   17   10   16   47                                            
CONECT   18   16   16   19   48                                       
CONECT   19   14   14   18   49                                       
CONECT   20    3   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   23   27                                       
CONECT   23   22   22   24                                            
CONECT   24   23   25   25   50                                       
CONECT   25   24   24   26   28                                       
CONECT   26   25   27   27   51                                       
CONECT   27   22   26   26                                            
CONECT   28   25   29   29   33                                       
CONECT   29   28   28   30   52                                       
CONECT   30   29   31   31   53                                       
CONECT   31   30   30   32                                            
CONECT   32   31   33   33   54                                       
CONECT   33   28   32   32   55                                       
CONECT   34    1   35   56   57                                       
CONECT   35   34   36   37   58                                       
CONECT   36   35   59   60   61                                       
CONECT   37   35   62   63   64                                       
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   32                                                      
CONECT   55   33                                                      
CONECT   56   34                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
CONECT   59   36                                                      
CONECT   60   36                                                      
CONECT   61   36                                                      
CONECT   62   37                                                      
CONECT   63   37                                                      
CONECT   64   37                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
