COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.072  -6.599  -7.247  1.00  0.00           C  
HETATM    2  S   UNL     1       5.547  -5.611  -5.847  1.00  0.00           S  
HETATM    3  O   UNL     1       6.503  -6.373  -5.067  1.00  0.00           O  
HETATM    4  O   UNL     1       5.880  -4.289  -6.343  1.00  0.00           O  
HETATM    5  N   UNL     1       4.048  -5.548  -4.997  1.00  0.00           N  
HETATM    6  C   UNL     1       3.367  -6.763  -4.638  1.00  0.00           C  
HETATM    7  C   UNL     1       2.605  -6.629  -3.330  1.00  0.00           C  
HETATM    8  N   UNL     1       1.578  -5.596  -3.399  1.00  0.00           N  
HETATM    9  C   UNL     1       0.254  -6.072  -3.791  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.205  -7.137  -2.805  1.00  0.00           C  
HETATM   11  C   UNL     1       0.326  -6.614  -5.212  1.00  0.00           C  
HETATM   12  C   UNL     1       1.904  -4.282  -3.046  1.00  0.00           C  
HETATM   13  O   UNL     1       3.035  -3.949  -2.674  1.00  0.00           O  
HETATM   14  C   UNL     1       0.809  -3.226  -3.186  1.00  0.00           C  
HETATM   15  C   UNL     1       0.870  -2.559  -4.553  1.00  0.00           C  
HETATM   16  N   UNL     1       1.007  -2.252  -2.135  1.00  0.00           N  
HETATM   17  C   UNL     1       0.097  -1.964  -1.118  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.978  -2.503  -0.898  1.00  0.00           O  
HETATM   19  C   UNL     1       0.670  -0.806  -0.339  1.00  0.00           C  
HETATM   20  C   UNL     1       2.149  -0.821  -0.712  1.00  0.00           C  
HETATM   21  C   UNL     1       2.154  -1.375  -2.124  1.00  0.00           C  
HETATM   22  N   UNL     1       0.485  -1.045   1.097  1.00  0.00           N  
HETATM   23  S   UNL     1      -0.406   0.058   2.039  1.00  0.00           S  
HETATM   24  O   UNL     1       0.144   1.389   1.866  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.585  -0.490   3.370  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.987   0.015   1.248  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.929  -0.899   1.676  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.178  -0.933   1.053  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.479  -0.051   0.003  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.730  -0.072  -0.635  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.501   0.879  -0.422  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.250   0.899   0.216  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.802   1.761  -1.473  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.050   1.727  -2.095  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.013   0.812  -1.677  1.00  0.00           C  
HETATM   36 CL   UNL     1      -7.552   0.772  -2.446  1.00  0.00          Cl  
HETATM   37  H   UNL     1       5.742  -6.367  -8.076  1.00  0.00           H  
HETATM   38  H   UNL     1       5.155  -7.651  -6.970  1.00  0.00           H  
HETATM   39  H   UNL     1       4.041  -6.352  -7.508  1.00  0.00           H  
HETATM   40  H   UNL     1       3.435  -4.745  -5.258  1.00  0.00           H  
HETATM   41  H   UNL     1       2.697  -7.018  -5.466  1.00  0.00           H  
HETATM   42  H   UNL     1       4.128  -7.544  -4.552  1.00  0.00           H  
HETATM   43  H   UNL     1       2.100  -7.569  -3.088  1.00  0.00           H  
HETATM   44  H   UNL     1       3.275  -6.372  -2.503  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.435  -5.221  -3.760  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.204  -7.503  -3.063  1.00  0.00           H  
HETATM   47  H   UNL     1       0.479  -7.992  -2.793  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.245  -6.733  -1.788  1.00  0.00           H  
HETATM   49  H   UNL     1       0.665  -5.838  -5.906  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.657  -6.962  -5.546  1.00  0.00           H  
HETATM   51  H   UNL     1       1.028  -7.452  -5.285  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.177  -3.657  -2.997  1.00  0.00           H  
HETATM   53  H   UNL     1       0.723  -3.279  -5.363  1.00  0.00           H  
HETATM   54  H   UNL     1       0.102  -1.783  -4.641  1.00  0.00           H  
HETATM   55  H   UNL     1       1.843  -2.080  -4.715  1.00  0.00           H  
HETATM   56  H   UNL     1       1.996  -0.591  -2.872  1.00  0.00           H  
HETATM   57  H   UNL     1       3.068  -1.932  -2.348  1.00  0.00           H  
HETATM   58  H   UNL     1       0.176   0.120  -0.648  1.00  0.00           H  
HETATM   59  H   UNL     1       2.712  -1.492  -0.049  1.00  0.00           H  
HETATM   60  H   UNL     1       2.612   0.168  -0.648  1.00  0.00           H  
HETATM   61  H   UNL     1       0.540  -2.024   1.398  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.720  -1.592   2.486  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.489   1.610  -0.103  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.915  -1.657   1.397  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.488  -0.785  -0.314  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.066   2.485  -1.815  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.257   2.421  -2.905  1.00  0.00           H  
CONECT    1   37   38   39    2                                       
CONECT    2    1    3    3    4                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    2   40    6                                            
CONECT    6    5   41   42    7                                       
CONECT    7    6   43   44    8                                       
CONECT    8    7    9   12                                            
CONECT    9    8   45   10   11                                       
CONECT   10    9   46   47   48                                       
CONECT   11    9   49   50   51                                       
CONECT   12    8   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   16   52                                       
CONECT   15   14   53   54   55                                       
CONECT   16   14   17   21                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   22   58                                       
CONECT   20   19   21   59   60                                       
CONECT   21   16   20   56   57                                       
CONECT   22   19   23   61                                            
CONECT   23   22   24   24   25                                       
CONECT   23   25   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   27   32   32                                       
CONECT   27   26   28   28   62                                       
CONECT   28   27   27   29   64                                       
CONECT   29   28   30   31   31                                       
CONECT   30   29   35   35   65                                       
CONECT   31   29   29   32   33                                       
CONECT   32   26   26   31   63                                       
CONECT   33   31   34   34   66                                       
CONECT   34   33   33   35   67                                       
CONECT   35   30   30   34   36                                       
CONECT   36   35                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   27                                                      
CONECT   63   32                                                      
CONECT   64   28                                                      
CONECT   65   30                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
