COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.483  -0.482  -1.683  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.616  -0.683  -0.883  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.619  -1.643   0.103  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.477  -2.431   0.312  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.337  -2.221  -0.501  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.360  -1.236  -1.499  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.461  -3.371   1.269  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.411  -4.120   1.487  1.00  0.00           C  
HETATM    9  C   UNL     1       0.763  -3.982   0.730  1.00  0.00           C  
HETATM   10  C   UNL     1       0.813  -3.017  -0.288  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.504   0.468  -2.655  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.724   0.078  -1.084  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.847  -0.175  -0.237  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.989   0.772  -0.609  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.192   0.501   0.298  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.318   0.624  -3.436  1.00  0.00           C  
HETATM   17  N   UNL     1       1.948  -2.849  -1.056  1.00  0.00           N  
HETATM   18  C   UNL     1       2.914  -1.908  -0.681  1.00  0.00           C  
HETATM   19  C   UNL     1       4.079  -1.775  -1.424  1.00  0.00           C  
HETATM   20  C   UNL     1       5.032  -0.847  -1.055  1.00  0.00           C  
HETATM   21  C   UNL     1       4.826  -0.045   0.060  1.00  0.00           C  
HETATM   22  C   UNL     1       3.659  -0.178   0.805  1.00  0.00           C  
HETATM   23  C   UNL     1       2.704  -1.103   0.432  1.00  0.00           C  
HETATM   24 CL   UNL     1       3.400   0.824   2.199  1.00  0.00          Cl  
HETATM   25  S   UNL     1       6.042   1.139   0.532  1.00  0.00           S  
HETATM   26  C   UNL     1       5.251   2.620  -0.002  1.00  0.00           C  
HETATM   27  N   UNL     1       4.122   2.690  -0.668  1.00  0.00           N  
HETATM   28  C   UNL     1       3.824   3.979  -0.903  1.00  0.00           C  
HETATM   29  C   UNL     1       4.794   4.741  -0.369  1.00  0.00           C  
HETATM   30  N   UNL     1       5.703   3.886   0.212  1.00  0.00           N  
HETATM   31  C   UNL     1       6.927   4.266   0.922  1.00  0.00           C  
HETATM   32  C   UNL     1       1.897  -4.816   0.993  1.00  0.00           C  
HETATM   33  N   UNL     1       2.796  -5.478   1.201  1.00  0.00           N  
HETATM   34  N   UNL     1      -8.289   1.411  -0.060  1.00  0.00           N  
HETATM   35  C   UNL     1      -9.369   1.348   0.934  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.795   1.120  -1.408  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.956   2.122   2.187  1.00  0.00           C  
HETATM   38  O   UNL     1      -8.821   3.509   1.867  1.00  0.00           O  
HETATM   39  H   UNL     1      -3.498  -1.790   0.714  1.00  0.00           H  
HETATM   40  H   UNL     1       0.509  -1.074  -2.120  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.448  -4.863   2.270  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.173  -1.207  -0.365  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.562  -0.010   0.802  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.662   1.804  -0.481  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.274   0.607  -1.648  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.518  -0.530   0.170  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.907   0.666   1.337  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.469   1.413  -4.173  1.00  0.00           H  
HETATM   49  H   UNL     1       0.514   0.891  -2.784  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.093  -0.312  -3.947  1.00  0.00           H  
HETATM   51  H   UNL     1       2.076  -3.383  -1.855  1.00  0.00           H  
HETATM   52  H   UNL     1       4.240  -2.398  -2.291  1.00  0.00           H  
HETATM   53  H   UNL     1       5.939  -0.745  -1.633  1.00  0.00           H  
HETATM   54  H   UNL     1       1.795  -1.203   1.008  1.00  0.00           H  
HETATM   55  H   UNL     1       2.955   4.341  -1.431  1.00  0.00           H  
HETATM   56  H   UNL     1       4.847   5.820  -0.388  1.00  0.00           H  
HETATM   57  H   UNL     1       7.754   4.322   0.215  1.00  0.00           H  
HETATM   58  H   UNL     1       6.786   5.238   1.394  1.00  0.00           H  
HETATM   59  H   UNL     1       7.151   3.520   1.685  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.274   1.789   0.515  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.561   0.307   1.197  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.167   0.096  -1.443  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.606   1.809  -1.647  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.990   1.240  -2.132  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.717   2.000   2.957  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.003   1.740   2.553  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.560   4.062   2.616  1.00  0.00           H  
CONECT    1    2    2    6   11                                       
CONECT    2    1    1    3   12                                       
CONECT    3    2    4    4   39                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   10                                       
CONECT    6    1    5    5   40                                       
CONECT    7    4    8    8                                            
CONECT    8    7    7    9   41                                       
CONECT    9    8   10   10   32                                       
CONECT   10    5    9    9   17                                       
CONECT   11    1   16                                                 
CONECT   12    2   13                                                 
CONECT   13   12   14   42   43                                       
CONECT   14   13   15   44   45                                       
CONECT   15   14   34   46   47                                       
CONECT   16   11   48   49   50                                       
CONECT   17   10   18   51                                            
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20   52                                       
CONECT   20   19   21   21   53                                       
CONECT   21   20   20   22   25                                       
CONECT   22   21   23   23   24                                       
CONECT   23   18   22   22   54                                       
CONECT   24   22                                                      
CONECT   25   21   26                                                 
CONECT   26   25   27   27   30                                       
CONECT   27   26   26   28                                            
CONECT   28   27   29   29   55                                       
CONECT   29   28   28   30   56                                       
CONECT   30   26   29   31                                            
CONECT   31   30   57   58   59                                       
CONECT   32    9   33   33   33                                       
CONECT   33   32   32   32                                            
CONECT   34   15   35   36                                            
CONECT   35   34   37   60   61                                       
CONECT   36   34   62   63   64                                       
CONECT   37   35   38   65   66                                       
CONECT   38   37   67                                                 
CONECT   39    3                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   23                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   35                                                      
CONECT   61   35                                                      
CONECT   62   36                                                      
CONECT   63   36                                                      
CONECT   64   36                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
