COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.036   3.093  -0.619  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.960   2.470   0.199  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.173  -4.910  -1.734  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.473  -4.976  -0.549  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.859  -3.946  -2.680  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.720   2.672  -0.624  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.571   1.423   1.015  1.00  0.00           C  
HETATM    8  C   UNL     1       0.558  -4.068  -0.298  1.00  0.00           C  
HETATM    9  C   UNL     1       0.156  -3.042  -2.445  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.326   1.622   0.194  1.00  0.00           C  
HETATM   11  C   UNL     1       0.873  -3.093  -1.256  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.257   0.997   1.015  1.00  0.00           C  
HETATM   13  C   UNL     1       0.051   0.842  -0.608  1.00  0.00           C  
HETATM   14  C   UNL     1       2.296   1.308  -0.400  1.00  0.00           C  
HETATM   15  C   UNL     1       1.601  -0.849  -0.808  1.00  0.00           C  
HETATM   16  C   UNL     1       1.311  -4.133   0.969  1.00  0.00           C  
HETATM   17  C   UNL     1       5.035   1.696   1.418  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.591   0.740  -1.147  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.100   2.253   0.677  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.158   0.206  -1.091  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.667   1.719   0.734  1.00  0.00           C  
HETATM   22  C   UNL     1       5.703   2.082  -0.940  1.00  0.00           C  
HETATM   23  C   UNL     1       3.305   3.274  -1.223  1.00  0.00           C  
HETATM   24  C   UNL     1       4.593   1.536  -0.013  1.00  0.00           C  
HETATM   25  C   UNL     1       0.488  -1.998  -3.480  1.00  0.00           C  
HETATM   26  C   UNL     1       1.722  -5.103   3.166  1.00  0.00           C  
HETATM   27  C   UNL     1       6.574   1.221   3.248  1.00  0.00           C  
HETATM   28  N   UNL     1       1.031   1.717  -0.403  1.00  0.00           N  
HETATM   29  N   UNL     1       0.336  -0.440  -0.810  1.00  0.00           N  
HETATM   30  N   UNL     1       2.581   0.026  -0.603  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.995   1.194   0.191  1.00  0.00           N  
HETATM   32  N   UNL     1      -1.263   1.265  -0.605  1.00  0.00           N  
HETATM   33  N   UNL     1       3.314   2.216  -0.188  1.00  0.00           N  
HETATM   34  N   UNL     1       1.897  -2.182  -1.018  1.00  0.00           N  
HETATM   35  N   UNL     1       0.974  -5.039   1.908  1.00  0.00           N  
HETATM   36  N   UNL     1       6.144   1.066   1.856  1.00  0.00           N  
HETATM   37  O   UNL     1       2.237  -3.369   1.166  1.00  0.00           O  
HETATM   38  O   UNL     1       4.393   2.391   2.177  1.00  0.00           O  
HETATM   39  S   UNL     1       5.075   3.776  -1.301  1.00  0.00           S  
HETATM   40 CL   UNL     1      -5.769  -0.317   2.040  1.00  0.00          Cl  
HETATM   41  H   UNL     1      -7.345   3.907  -1.258  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.988   2.801   0.201  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.967  -5.616  -1.930  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.721  -5.729   0.184  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.414  -3.902  -3.605  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.999   3.160  -1.263  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.295   0.938   1.653  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.641   1.576  -1.845  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.261  -0.053  -1.480  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.412   2.563   1.674  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.144   3.106   0.000  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.114  -0.647  -0.414  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.846  -0.104  -2.088  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.996   2.512   1.066  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.617   0.883   1.431  1.00  0.00           H  
HETATM   56  H   UNL     1       6.661   2.123  -0.421  1.00  0.00           H  
HETATM   57  H   UNL     1       5.778   1.490  -1.852  1.00  0.00           H  
HETATM   58  H   UNL     1       2.974   2.875  -2.181  1.00  0.00           H  
HETATM   59  H   UNL     1       2.680   4.112  -0.914  1.00  0.00           H  
HETATM   60  H   UNL     1       4.455   0.475  -0.220  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.059  -1.081  -3.260  1.00  0.00           H  
HETATM   62  H   UNL     1       1.559  -1.795  -3.461  1.00  0.00           H  
HETATM   63  H   UNL     1       0.205  -2.362  -4.467  1.00  0.00           H  
HETATM   64  H   UNL     1       1.645  -4.147   3.683  1.00  0.00           H  
HETATM   65  H   UNL     1       1.307  -5.891   3.795  1.00  0.00           H  
HETATM   66  H   UNL     1       2.769  -5.320   2.955  1.00  0.00           H  
HETATM   67  H   UNL     1       6.771   2.274   3.452  1.00  0.00           H  
HETATM   68  H   UNL     1       5.788   0.863   3.913  1.00  0.00           H  
HETATM   69  H   UNL     1       7.482   0.643   3.414  1.00  0.00           H  
HETATM   70  H   UNL     1       2.819  -2.483  -0.998  1.00  0.00           H  
HETATM   71  H   UNL     1       0.235  -5.648   1.751  1.00  0.00           H  
HETATM   72  H   UNL     1       6.657   0.510   1.249  1.00  0.00           H  
CONECT    1    2    2    6   41                                       
CONECT    2    1    1    7   42                                       
CONECT    3    4    4    5   43                                       
CONECT    4    3    3    8   44                                       
CONECT    5    3    9    9   45                                       
CONECT    6    1   10   10   46                                       
CONECT    7    2   12   12   47                                       
CONECT    8    4   11   11   16                                       
CONECT    9    5    5   11   25                                       
CONECT   10    6    6   12   31                                       
CONECT   11    8    8    9   34                                       
CONECT   12    7    7   10   40                                       
CONECT   13   28   28   29   32                                       
CONECT   14   28   30   30   33                                       
CONECT   15   29   29   30   34                                       
CONECT   16    8   35   37   37                                       
CONECT   17   24   36   38   38                                       
CONECT   18   20   31   48   49                                       
CONECT   19   21   31   50   51                                       
CONECT   20   18   32   52   53                                       
CONECT   21   19   32   54   55                                       
CONECT   22   24   39   56   57                                       
CONECT   23   33   39   58   59                                       
CONECT   24   17   22   33   60                                       
CONECT   25    9   61   62   63                                       
CONECT   26   35   64   65   66                                       
CONECT   27   36   67   68   69                                       
CONECT   28   13   13   14                                            
CONECT   29   13   15   15                                            
CONECT   30   14   14   15                                            
CONECT   31   10   18   19                                            
CONECT   32   13   20   21                                            
CONECT   33   14   23   24                                            
CONECT   34   11   15   70                                            
CONECT   35   16   26   71                                            
CONECT   36   17   27   72                                            
CONECT   37   16   16                                                 
CONECT   38   17   17                                                 
CONECT   39   22   23                                                 
CONECT   40   12                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
