COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.674   3.441   0.428  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.113   2.992   0.696  1.00  0.00           C  
HETATM    3  O   UNL     1      -7.593   2.250  -0.429  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.808   1.095  -0.734  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.365   1.525  -1.016  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.844   2.262   0.144  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.440   2.644  -0.064  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.570   1.386  -0.108  1.00  0.00           C  
HETATM    9  S   UNL     1      -0.841   1.857  -0.363  1.00  0.00           S  
HETATM   10  C   UNL     1      -0.089   0.264  -0.374  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.857  -0.808  -0.212  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.339  -2.030  -0.213  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.145  -3.139  -0.045  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.503  -2.978   0.246  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.431  -3.895  -0.233  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.772  -3.734   0.056  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.191  -2.661   0.822  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.271  -1.747   1.300  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.928  -1.905   1.019  1.00  0.00           C  
HETATM   20  N   UNL     1       1.220   0.179  -0.548  1.00  0.00           N  
HETATM   21  C   UNL     1       1.827  -1.006  -0.562  1.00  0.00           C  
HETATM   22  C   UNL     1       1.052  -2.170  -0.390  1.00  0.00           C  
HETATM   23  C   UNL     1       1.937  -3.268  -0.447  1.00  0.00           C  
HETATM   24  N   UNL     1       3.144  -2.816  -0.638  1.00  0.00           N  
HETATM   25  N   UNL     1       3.117  -1.418  -0.715  1.00  0.00           N  
HETATM   26  C   UNL     1       4.277  -0.547  -0.924  1.00  0.00           C  
HETATM   27  C   UNL     1       4.876  -0.161   0.430  1.00  0.00           C  
HETATM   28 CL   UNL     1       3.689   0.838   1.349  1.00  0.00          Cl  
HETATM   29  C   UNL     1       6.139   0.632   0.213  1.00  0.00           C  
HETATM   30  C   UNL     1       7.356   0.119   0.620  1.00  0.00           C  
HETATM   31  C   UNL     1       8.514   0.847   0.421  1.00  0.00           C  
HETATM   32  C   UNL     1       8.455   2.088  -0.185  1.00  0.00           C  
HETATM   33  C   UNL     1       7.238   2.601  -0.593  1.00  0.00           C  
HETATM   34  C   UNL     1       6.081   1.870  -0.399  1.00  0.00           C  
HETATM   35  H   UNL     1      -5.656   4.114  -0.429  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.285   3.957   1.305  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.139   2.362   1.585  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.745   3.867   0.852  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.824   0.409   0.113  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.218   0.598  -1.613  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.751   0.642  -1.194  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.343   2.167  -1.896  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.346   3.184  -1.005  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.113   3.283   0.757  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.665   0.846   0.834  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.898   0.747  -0.928  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.769  -4.029  -0.128  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.104  -4.733  -0.831  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.493  -4.446  -0.315  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.240  -2.536   1.046  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.601  -0.910   1.897  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.209  -1.193   1.396  1.00  0.00           H  
HETATM   53  H   UNL     1       1.661  -4.308  -0.350  1.00  0.00           H  
HETATM   54  H   UNL     1       5.025  -1.075  -1.515  1.00  0.00           H  
HETATM   55  H   UNL     1       3.965   0.353  -1.454  1.00  0.00           H  
HETATM   56  H   UNL     1       5.107  -1.064   0.996  1.00  0.00           H  
HETATM   57  H   UNL     1       7.402  -0.851   1.094  1.00  0.00           H  
HETATM   58  H   UNL     1       9.465   0.446   0.740  1.00  0.00           H  
HETATM   59  H   UNL     1       9.360   2.658  -0.336  1.00  0.00           H  
HETATM   60  H   UNL     1       7.192   3.570  -1.066  1.00  0.00           H  
HETATM   61  H   UNL     1       5.130   2.271  -0.718  1.00  0.00           H  
CONECT    1    2    6   35   36                                       
CONECT    2    3    1   37   38                                       
CONECT    3    4    2                                                 
CONECT    4    3    5   39   40                                       
CONECT    5    4    6   41   42                                       
CONECT    6    5    1    7                                            
CONECT    7    6    8   43   44                                       
CONECT    8    7    9   45   46                                       
CONECT    9    8   10                                                 
CONECT   10   20    9   11   11                                       
CONECT   11   10   10   12                                            
CONECT   12   22   22   11   13                                       
CONECT   13   12   14   47                                            
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   48                                       
CONECT   16   15   17   17   49                                       
CONECT   17   16   16   18   50                                       
CONECT   18   19   19   17   51                                       
CONECT   19   14   18   18   52                                       
CONECT   20   21   21   10                                            
CONECT   21   25   20   20   22                                       
CONECT   22   21   23   12   12                                       
CONECT   23   24   24   22   53                                       
CONECT   24   25   23   23                                            
CONECT   25   26   21   24                                            
CONECT   26   27   25   54   55                                       
CONECT   27   29   26   28   56                                       
CONECT   28   27                                                      
CONECT   29   34   34   30   27                                       
CONECT   30   31   31   29   57                                       
CONECT   31   32   30   30   58                                       
CONECT   32   33   33   31   59                                       
CONECT   33   32   32   34   60                                       
CONECT   34   33   29   29   61                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   13                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   23                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
