COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.470   0.946  -0.131  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.137   2.104  -0.270  1.00  0.00           C  
HETATM    3  N   UNL     1       1.130   2.529  -0.419  1.00  0.00           N  
HETATM    4  C   UNL     1       2.248   1.688  -0.425  1.00  0.00           C  
HETATM    5  C   UNL     1       2.103   0.334  -0.160  1.00  0.00           C  
HETATM    6  C   UNL     1       3.507   2.206  -0.702  1.00  0.00           C  
HETATM    7  C   UNL     1       4.607   1.372  -0.707  1.00  0.00           C  
HETATM    8  C   UNL     1       4.462   0.022  -0.437  1.00  0.00           C  
HETATM    9  C   UNL     1       3.209  -0.498  -0.166  1.00  0.00           C  
HETATM   10  C   UNL     1       3.316  -1.986   0.089  1.00  0.00           C  
HETATM   11  C   UNL     1       4.812  -2.240   0.375  1.00  0.00           C  
HETATM   12  C   UNL     1       5.496  -1.083  -0.383  1.00  0.00           C  
HETATM   13  N   UNL     1       6.690  -0.628   0.341  1.00  0.00           N  
HETATM   14  C   UNL     1       6.363  -0.282   1.730  1.00  0.00           C  
HETATM   15  C   UNL     1       7.755  -1.639   0.287  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.088   3.280  -0.309  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.179   4.510  -0.080  1.00  0.00           C  
HETATM   18  C   UNL     1       1.188   3.987  -0.575  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.082   3.170   0.761  1.00  0.00           N  
HETATM   20  S   UNL     1      -3.573   2.522   0.444  1.00  0.00           S  
HETATM   21  O   UNL     1      -4.282   2.524   1.675  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.050   3.168  -0.729  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.325   0.831   0.015  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.341  -0.118   0.991  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.144  -1.467   0.652  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.932  -1.819  -0.704  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.922  -0.812  -1.684  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.122   0.484  -1.319  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.153  -2.474   1.633  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.959  -3.771   1.268  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.750  -4.118  -0.067  1.00  0.00           C  
HETATM   32 CL   UNL     1      -2.505  -5.784  -0.489  1.00  0.00          Cl  
HETATM   33  C   UNL     1      -2.735  -3.169  -1.043  1.00  0.00           C  
HETATM   34  H   UNL     1      -1.577   3.343  -1.281  1.00  0.00           H  
HETATM   35  H   UNL     1       1.994   4.399   0.032  1.00  0.00           H  
HETATM   36  H   UNL     1       1.333   4.249  -1.623  1.00  0.00           H  
HETATM   37  H   UNL     1       1.125  -0.072   0.052  1.00  0.00           H  
HETATM   38  H   UNL     1       3.624   3.259  -0.914  1.00  0.00           H  
HETATM   39  H   UNL     1       5.585   1.776  -0.923  1.00  0.00           H  
HETATM   40  H   UNL     1       5.762  -1.401  -1.391  1.00  0.00           H  
HETATM   41  H   UNL     1       2.713  -2.267   0.952  1.00  0.00           H  
HETATM   42  H   UNL     1       3.000  -2.544  -0.792  1.00  0.00           H  
HETATM   43  H   UNL     1       5.017  -2.178   1.444  1.00  0.00           H  
HETATM   44  H   UNL     1       5.124  -3.204  -0.025  1.00  0.00           H  
HETATM   45  H   UNL     1       6.073  -1.183   2.271  1.00  0.00           H  
HETATM   46  H   UNL     1       7.235   0.164   2.208  1.00  0.00           H  
HETATM   47  H   UNL     1       5.538   0.431   1.742  1.00  0.00           H  
HETATM   48  H   UNL     1       7.951  -1.905  -0.752  1.00  0.00           H  
HETATM   49  H   UNL     1       8.662  -1.235   0.736  1.00  0.00           H  
HETATM   50  H   UNL     1       7.441  -2.527   0.836  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.512   5.357  -0.679  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.139   4.774   0.977  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.868   3.478   1.656  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.503   0.166   2.020  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.118   1.256  -2.075  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.313  -2.220   2.670  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.762  -1.066  -2.721  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.572  -3.452  -2.073  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.967  -4.543   2.024  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   16                                       
CONECT    3    2    4   18                                            
CONECT    4    3    5    6    6                                       
CONECT    5    4    9    9   37                                       
CONECT    6    4    4    7   38                                       
CONECT    7    6    8    8   39                                       
CONECT    8    7    7    9   12                                       
CONECT    9    5    5    8   10                                       
CONECT   10    9   11   41   42                                       
CONECT   11   10   12   43   44                                       
CONECT   12    8   11   13   40                                       
CONECT   13   12   14   15                                            
CONECT   14   13   45   46   47                                       
CONECT   15   13   48   49   50                                       
CONECT   16    2   17   19   34                                       
CONECT   17   16   18   51   52                                       
CONECT   18    3   17   35   36                                       
CONECT   19   16   20   53                                            
CONECT   20   19   21   21   22                                       
CONECT   20   22   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   24   28   28                                       
CONECT   24   23   25   25   54                                       
CONECT   25   24   24   26   29                                       
CONECT   26   25   27   27   33                                       
CONECT   27   26   26   28   57                                       
CONECT   28   23   23   27   55                                       
CONECT   29   25   30   30   56                                       
CONECT   30   29   29   31   59                                       
CONECT   31   30   32   33   33                                       
CONECT   32   31                                                      
CONECT   33   26   31   31   58                                       
CONECT   34   16                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40   12                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   19                                                      
CONECT   54   24                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   27                                                      
CONECT   58   33                                                      
CONECT   59   30                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
