COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.914  -0.046   2.058  1.00  0.00           O  
HETATM    2  C   UNL     1       1.759   0.712   1.633  1.00  0.00           C  
HETATM    3  N   UNL     1       3.024   0.381   1.350  1.00  0.00           N  
HETATM    4  C   UNL     1       3.548  -0.975   1.531  1.00  0.00           C  
HETATM    5  C   UNL     1       3.341  -1.778   0.246  1.00  0.00           C  
HETATM    6  C   UNL     1       3.888  -3.194   0.435  1.00  0.00           C  
HETATM    7  N   UNL     1       3.690  -3.965  -0.799  1.00  0.00           N1+
HETATM    8  C   UNL     1       4.400  -3.310  -1.906  1.00  0.00           C  
HETATM    9  C   UNL     1       4.215  -5.325  -0.617  1.00  0.00           C  
HETATM   10  C   UNL     1       2.255  -4.031  -1.110  1.00  0.00           C  
HETATM   11  C   UNL     1       1.546   2.179   1.335  1.00  0.00           C  
HETATM   12  C   UNL     1       0.594   2.327   0.133  1.00  0.00           C  
HETATM   13  N   UNL     1       1.463   2.275  -1.066  1.00  0.00           N  
HETATM   14  C   UNL     1       0.853   3.072  -2.151  1.00  0.00           C  
HETATM   15  C   UNL     1       1.350   4.520  -1.993  1.00  0.00           C  
HETATM   16  C   UNL     1       2.289   4.494  -0.766  1.00  0.00           C  
HETATM   17  C   UNL     1       2.701   3.007  -0.668  1.00  0.00           C  
HETATM   18  C   UNL     1       2.930   2.644   0.810  1.00  0.00           C  
HETATM   19  C   UNL     1       3.772   1.390   0.887  1.00  0.00           C  
HETATM   20  O   UNL     1       4.941   1.310   0.575  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.396   1.191   0.110  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.799   1.299   0.084  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.119  -0.083   0.104  1.00  0.00           N  
HETATM   24  O   UNL     1      -1.118  -0.764   0.083  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.230  -0.005   0.070  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.622  -0.476   0.041  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.011  -1.781   0.027  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.375  -1.968   0.001  1.00  0.00           C  
HETATM   29  S   UNL     1      -5.045   0.558   0.026  1.00  0.00           S  
HETATM   30  C   UNL     1      -6.104  -0.845  -0.008  1.00  0.00           C  
HETATM   31 CL   UNL     1      -7.839  -0.783  -0.041  1.00  0.00          Cl  
HETATM   32  H   UNL     1       1.208   2.738   2.207  1.00  0.00           H  
HETATM   33  H   UNL     1       4.612  -0.925   1.762  1.00  0.00           H  
HETATM   34  H   UNL     1       3.021  -1.461   2.352  1.00  0.00           H  
HETATM   35  H   UNL     1       2.277  -1.827   0.015  1.00  0.00           H  
HETATM   36  H   UNL     1       3.868  -1.291  -0.575  1.00  0.00           H  
HETATM   37  H   UNL     1       4.952  -3.145   0.665  1.00  0.00           H  
HETATM   38  H   UNL     1       3.361  -3.680   1.256  1.00  0.00           H  
HETATM   39  H   UNL     1       5.464  -3.260  -1.675  1.00  0.00           H  
HETATM   40  H   UNL     1       4.253  -3.882  -2.822  1.00  0.00           H  
HETATM   41  H   UNL     1       4.010  -2.301  -2.041  1.00  0.00           H  
HETATM   42  H   UNL     1       3.687  -5.811   0.203  1.00  0.00           H  
HETATM   43  H   UNL     1       4.067  -5.897  -1.533  1.00  0.00           H  
HETATM   44  H   UNL     1       5.279  -5.275  -0.387  1.00  0.00           H  
HETATM   45  H   UNL     1       1.866  -3.022  -1.245  1.00  0.00           H  
HETATM   46  H   UNL     1       2.108  -4.603  -2.026  1.00  0.00           H  
HETATM   47  H   UNL     1       1.728  -4.518  -0.289  1.00  0.00           H  
HETATM   48  H   UNL     1       0.072   3.282   0.181  1.00  0.00           H  
HETATM   49  H   UNL     1       3.341   3.474   1.385  1.00  0.00           H  
HETATM   50  H   UNL     1       1.163   2.678  -3.119  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.233   3.042  -2.067  1.00  0.00           H  
HETATM   52  H   UNL     1       3.554   2.767  -1.302  1.00  0.00           H  
HETATM   53  H   UNL     1       1.897   4.831  -2.882  1.00  0.00           H  
HETATM   54  H   UNL     1       0.509   5.190  -1.811  1.00  0.00           H  
HETATM   55  H   UNL     1       3.162   5.124  -0.937  1.00  0.00           H  
HETATM   56  H   UNL     1       1.758   4.806   0.132  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.398   2.198   0.076  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.308  -2.601   0.037  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.824  -2.950  -0.013  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   11                                       
CONECT    3    2    4   19                                            
CONECT    4    3    5   33   34                                       
CONECT    5    4    6   35   36                                       
CONECT    6    5    7   37   38                                       
CONECT    7    6    8    9   10                                       
CONECT    8    7   39   40   41                                       
CONECT    9    7   42   43   44                                       
CONECT   10    7   45   46   47                                       
CONECT   11    2   12   18   32                                       
CONECT   12   11   13   21   48                                       
CONECT   13   12   14   17                                            
CONECT   14   13   15   50   51                                       
CONECT   15   14   16   53   54                                       
CONECT   16   15   17   55   56                                       
CONECT   17   13   16   18   52                                       
CONECT   18   11   17   19   49                                       
CONECT   19    3   18   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   12   22   23   23                                       
CONECT   22   21   25   25   57                                       
CONECT   23   21   21   24                                            
CONECT   24   23   25                                                 
CONECT   25   22   22   24   26                                       
CONECT   26   25   27   27   29                                       
CONECT   27   26   26   28   58                                       
CONECT   28   27   30   30   59                                       
CONECT   29   26   30                                                 
CONECT   30   28   28   29   31                                       
CONECT   31   30                                                      
CONECT   32   11                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   18                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   17                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   22                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
