COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.228   0.903  -0.564  1.00  0.00           O  
HETATM    2  O   UNL     1       1.828  -0.938  -0.663  1.00  0.00           O  
HETATM    3  C   UNL     1      -5.090   3.683   1.450  1.00  0.00           C  
HETATM    4  C   UNL     1       1.434  -0.060   1.493  1.00  0.00           C  
HETATM    5  C   UNL     1       5.921  -0.176  -0.447  1.00  0.00           C  
HETATM    6 CL   UNL     1       8.443   2.802  -1.296  1.00  0.00          Cl  
HETATM    7  C   UNL     1       7.767   1.334  -0.662  1.00  0.00           C  
HETATM    8  C   UNL     1       6.458   0.993  -0.952  1.00  0.00           C  
HETATM    9  C   UNL     1       8.538   0.505   0.134  1.00  0.00           C  
HETATM   10  C   UNL     1       7.999  -0.663   0.639  1.00  0.00           C  
HETATM   11  C   UNL     1       6.691  -1.003   0.349  1.00  0.00           C  
HETATM   12  C   UNL     1       6.104  -2.277   0.900  1.00  0.00           C  
HETATM   13  N   UNL     1       6.125  -3.316  -0.139  1.00  0.00           N  
HETATM   14  C   UNL     1       4.493  -0.544  -0.757  1.00  0.00           C  
HETATM   15  N   UNL     1       3.638  -0.188   0.378  1.00  0.00           N  
HETATM   16  C   UNL     1       2.313  -0.427   0.325  1.00  0.00           C  
HETATM   17  C   UNL     1       1.857  -0.859   2.743  1.00  0.00           C  
HETATM   18  C   UNL     1       0.500  -1.192   3.419  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.414  -1.412   2.188  1.00  0.00           C  
HETATM   20  N   UNL     1       0.038  -0.417   1.199  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.705   0.085   0.193  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.129  -0.372   0.008  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.153  -1.883  -0.232  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.604  -2.364  -0.310  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.629  -3.889  -0.435  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.018  -4.349  -0.510  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.292  -5.692  -0.626  1.00  0.00           C  
HETATM   28  N   UNL     1      -6.595  -6.124  -0.697  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.316  -6.554  -0.669  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.717   0.315  -1.145  1.00  0.00           N  
HETATM   31  S   UNL     1      -3.967   1.379  -0.926  1.00  0.00           S  
HETATM   32  O   UNL     1      -4.280   1.827  -2.238  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.914   0.654  -0.154  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.247   2.727   0.051  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.300   3.771   0.319  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.477   4.818  -0.567  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.442   5.776  -0.322  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.232   5.688   0.809  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.060   4.638   1.692  1.00  0.00           C  
HETATM   40  H   UNL     1      -4.952   2.865   2.142  1.00  0.00           H  
HETATM   41  H   UNL     1       1.510   1.008   1.692  1.00  0.00           H  
HETATM   42  H   UNL     1       5.857   1.640  -1.574  1.00  0.00           H  
HETATM   43  H   UNL     1       9.560   0.771   0.360  1.00  0.00           H  
HETATM   44  H   UNL     1       8.600  -1.310   1.260  1.00  0.00           H  
HETATM   45  H   UNL     1       6.692  -2.608   1.756  1.00  0.00           H  
HETATM   46  H   UNL     1       5.075  -2.098   1.213  1.00  0.00           H  
HETATM   47  H   UNL     1       5.737  -4.181   0.206  1.00  0.00           H  
HETATM   48  H   UNL     1       5.641  -3.008  -0.969  1.00  0.00           H  
HETATM   49  H   UNL     1       4.163  -0.004  -1.645  1.00  0.00           H  
HETATM   50  H   UNL     1       4.426  -1.617  -0.940  1.00  0.00           H  
HETATM   51  H   UNL     1       4.026   0.220   1.168  1.00  0.00           H  
HETATM   52  H   UNL     1       2.381  -1.772   2.459  1.00  0.00           H  
HETATM   53  H   UNL     1       2.475  -0.248   3.401  1.00  0.00           H  
HETATM   54  H   UNL     1       0.574  -2.100   4.018  1.00  0.00           H  
HETATM   55  H   UNL     1       0.149  -0.355   4.022  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.286  -2.421   1.796  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.456  -1.237   2.453  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.705  -0.137   0.903  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.644  -2.110  -1.168  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.647  -2.389   0.590  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.135  -2.064   0.592  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.087  -1.920  -1.181  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.098  -4.189  -1.338  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.146  -4.332   0.436  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.744  -3.707  -0.478  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.321  -5.482  -0.665  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.788  -7.071  -0.779  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.396  -6.249  -0.619  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.374   0.146  -2.036  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.878   2.333   0.998  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.422   3.176  -0.501  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.860   4.887  -1.451  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.577   6.596  -1.012  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.986   6.436   1.001  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.677   4.569   2.576  1.00  0.00           H  
CONECT    1   21   21                                                 
CONECT    2   16   16                                                 
CONECT    3   39   39   35   40                                       
CONECT    4   17   16   20   41                                       
CONECT    5   14   11   11    8                                       
CONECT    6    7                                                      
CONECT    7    8    8    9    6                                       
CONECT    8    5    7    7   42                                       
CONECT    9   10   10    7   43                                       
CONECT   10   11    9    9   44                                       
CONECT   11   12    5    5   10                                       
CONECT   12   13   11   45   46                                       
CONECT   13   12   47   48                                            
CONECT   14   15    5   49   50                                       
CONECT   15   16   14   51                                            
CONECT   16    2    2   15    4                                       
CONECT   17   18    4   52   53                                       
CONECT   18   17   19   54   55                                       
CONECT   19   18   20   56   57                                       
CONECT   20   19    4   21                                            
CONECT   21   20   22    1    1                                       
CONECT   22   23   21   30   58                                       
CONECT   23   24   22   59   60                                       
CONECT   24   25   23   61   62                                       
CONECT   25   26   24   63   64                                       
CONECT   26   27   25   65                                            
CONECT   27   29   29   28   26                                       
CONECT   28   27   66   67                                            
CONECT   29   27   27   68                                            
CONECT   30   22   31   69                                            
CONECT   31   30   33   33   32                                       
CONECT   31   32   34                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34   31   35   70   71                                       
CONECT   35   36   36    3   34                                       
CONECT   36   37   35   35   72                                       
CONECT   37   38   38   36   73                                       
CONECT   38   37   37   39   74                                       
CONECT   39   38    3    3   75                                       
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
