COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.763   0.825  -2.618  1.00  0.00           C  
HETATM    2  C   UNL     1       1.696   0.495  -1.255  1.00  0.00           C  
HETATM    3  C   UNL     1       0.499   0.733  -0.537  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.606   1.299  -1.206  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.097   3.025   0.763  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.061   4.828   0.549  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.182   2.020   0.850  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.343   1.334   1.604  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.910  -2.303  -0.206  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.803  -3.249  -1.406  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.689  -5.082   0.039  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.755  -3.107   1.087  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.679   2.216  -3.261  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.501   1.610  -2.543  1.00  0.00           C  
HETATM   15  C   UNL     1       0.683   1.376  -3.237  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.764   1.536  -0.537  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.918   2.741   0.063  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.235   4.274   1.373  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.195   5.181   1.258  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.953   3.643  -0.018  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.359   2.304   1.549  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.144   0.175   0.997  1.00  0.00           N  
HETATM   23  C   UNL     1      -5.021  -0.066   0.336  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.053   0.834   0.259  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.854  -1.292  -0.285  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.873  -4.338  -1.285  1.00  0.00           C  
HETATM   27  N   UNL     1      -6.802  -4.134   1.155  1.00  0.00           N  
HETATM   28  C   UNL     1       0.432   0.401   0.826  1.00  0.00           C  
HETATM   29  C   UNL     1       1.513  -0.146   1.447  1.00  0.00           C  
HETATM   30  C   UNL     1       2.696  -0.385   0.752  1.00  0.00           C  
HETATM   31  C   UNL     1       2.802  -0.073  -0.586  1.00  0.00           C  
HETATM   32  N   UNL     1       3.990  -0.317  -1.272  1.00  0.00           N  
HETATM   33  S   UNL     1       4.905  -1.646  -0.899  1.00  0.00           S  
HETATM   34  O   UNL     1       4.003  -2.740  -0.807  1.00  0.00           O  
HETATM   35  O   UNL     1       6.018  -1.628  -1.782  1.00  0.00           O  
HETATM   36  C   UNL     1       5.551  -1.396   0.721  1.00  0.00           C  
HETATM   37  C   UNL     1       5.191  -2.249   1.748  1.00  0.00           C  
HETATM   38  C   UNL     1       5.698  -2.053   3.019  1.00  0.00           C  
HETATM   39  C   UNL     1       6.565  -1.004   3.264  1.00  0.00           C  
HETATM   40  C   UNL     1       6.925  -0.150   2.238  1.00  0.00           C  
HETATM   41  C   UNL     1       6.422  -0.349   0.964  1.00  0.00           C  
HETATM   42 CL   UNL     1       6.879   0.718  -0.326  1.00  0.00          Cl  
HETATM   43  H   UNL     1       2.672   0.647  -3.173  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.250   5.536   0.459  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.264   1.521   2.136  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.884  -1.814  -0.215  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.957  -2.688  -2.327  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.815  -3.709  -1.419  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.459  -5.848   0.135  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.706  -5.551   0.059  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.775  -3.585   1.101  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.845  -2.439   1.943  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.628   3.303  -3.189  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.657   1.920  -4.310  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.604   1.864  -2.804  1.00  0.00           H  
HETATM   56  H   UNL     1       0.743   1.631  -4.285  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.131   4.526   1.920  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.269   6.156   1.717  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.495   3.258   2.036  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.036  -1.481  -0.772  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.862  -3.880  -1.311  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.774  -5.039  -2.114  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.779  -4.615   2.042  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.477   0.579   1.381  1.00  0.00           H  
HETATM   65  H   UNL     1       1.453  -0.397   2.496  1.00  0.00           H  
HETATM   66  H   UNL     1       3.539  -0.819   1.268  1.00  0.00           H  
HETATM   67  H   UNL     1       4.281   0.292  -1.969  1.00  0.00           H  
HETATM   68  H   UNL     1       4.514  -3.068   1.557  1.00  0.00           H  
HETATM   69  H   UNL     1       5.417  -2.719   3.821  1.00  0.00           H  
HETATM   70  H   UNL     1       6.960  -0.851   4.257  1.00  0.00           H  
HETATM   71  H   UNL     1       7.602   0.669   2.430  1.00  0.00           H  
CONECT    1   15    2    2   43                                       
CONECT    2    1    1    3   31                                       
CONECT    3    4    4    2   28                                       
CONECT    4   14   16    3    3                                       
CONECT    5    7   17   17   18                                       
CONECT    6   20   20   19   44                                       
CONECT    7   24   24   21    5                                       
CONECT    8   22   21   21   45                                       
CONECT    9   12   25   10   46                                       
CONECT   10    9   26   47   48                                       
CONECT   11   27   26   49   50                                       
CONECT   12   27    9   51   52                                       
CONECT   13   14   53   54   55                                       
CONECT   14   13   15   15    4                                       
CONECT   15   14   14    1   56                                       
CONECT   16    4   17                                                 
CONECT   17   16    5    5   20                                       
CONECT   18    5   19   19   57                                       
CONECT   19   18   18    6   58                                       
CONECT   20   17    6    6                                            
CONECT   21    8    8    7   59                                       
CONECT   22   23   23    8                                            
CONECT   23   25   22   22   24                                       
CONECT   24   23    7    7                                            
CONECT   25    9   23   60                                            
CONECT   26   11   10   61   62                                       
CONECT   27   12   11   63                                            
CONECT   28    3   29   29   64                                       
CONECT   29   28   28   30   65                                       
CONECT   30   31   31   29   66                                       
CONECT   31    2   32   30   30                                       
CONECT   32   33   31   67                                            
CONECT   33   35   35   34   34                                       
CONECT   33   36   32                                                 
CONECT   34   33   33                                                 
CONECT   35   33   33                                                 
CONECT   36   33   37   41   41                                       
CONECT   37   38   38   36   68                                       
CONECT   38   37   37   39   69                                       
CONECT   39   38   40   40   70                                       
CONECT   40   39   39   41   71                                       
CONECT   41   36   36   40   42                                       
CONECT   42   41                                                      
CONECT   43    1                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   21                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   32                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
