COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -9.102   0.458  -2.361  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.893  -0.620   2.309  1.00  0.00           C  
HETATM    3  C   UNL     1       0.692  -1.679   1.804  1.00  0.00           C  
HETATM    4  N   UNL     1      -7.672   1.207  -0.707  1.00  0.00           N  
HETATM    5  C   UNL     1       1.986  -1.610   0.991  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.329   1.531   3.644  1.00  0.00           O  
HETATM    7  C   UNL     1      -8.788   1.305  -1.398  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.870   0.528   0.649  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.961   0.418   1.957  1.00  0.00           C  
HETATM   10  N   UNL     1      -6.058  -1.569  -2.020  1.00  0.00           N  
HETATM   11  C   UNL     1      -5.175  -1.245  -1.121  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.092  -0.695  -1.973  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.803   0.233  -0.957  1.00  0.00           C  
HETATM   14  N   UNL     1      -5.589  -0.140  -0.439  1.00  0.00           N  
HETATM   15 CL   UNL     1       4.801   5.497   0.161  1.00  0.00          Cl  
HETATM   16  C   UNL     1       5.265   3.876  -0.255  1.00  0.00           C  
HETATM   17  C   UNL     1       5.842   3.618  -1.486  1.00  0.00           C  
HETATM   18  C   UNL     1       6.212   2.332  -1.821  1.00  0.00           C  
HETATM   19  C   UNL     1       5.061   2.847   0.649  1.00  0.00           C  
HETATM   20  C   UNL     1       5.428   1.558   0.323  1.00  0.00           C  
HETATM   21  C   UNL     1       6.004   1.292  -0.917  1.00  0.00           C  
HETATM   22  C   UNL     1       6.400  -0.093  -1.273  1.00  0.00           C  
HETATM   23  C   UNL     1       6.192  -1.132  -0.369  1.00  0.00           C  
HETATM   24  C   UNL     1       6.976  -0.359  -2.514  1.00  0.00           C  
HETATM   25  C   UNL     1       7.344  -1.648  -2.843  1.00  0.00           C  
HETATM   26  C   UNL     1       7.143  -2.679  -1.945  1.00  0.00           C  
HETATM   27  C   UNL     1       6.565  -2.424  -0.708  1.00  0.00           C  
HETATM   28  N   UNL     1       6.363  -3.471   0.199  1.00  0.00           N  
HETATM   29  C   UNL     1       5.199  -3.533   0.931  1.00  0.00           C  
HETATM   30  N   UNL     1       5.060  -4.438   1.858  1.00  0.00           N  
HETATM   31  N   UNL     1       4.183  -2.640   0.683  1.00  0.00           N  
HETATM   32  C   UNL     1       2.944  -2.706   1.462  1.00  0.00           C  
HETATM   33  S   UNL     1      -0.443  -0.379   1.245  1.00  0.00           S  
HETATM   34  O   UNL     1      -3.472   0.164   0.637  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.146   0.304   2.936  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.365   0.016   2.026  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.510   0.751   2.461  1.00  0.00           O  
HETATM   38  C   UNL     1      -8.295  -0.549  -2.683  1.00  0.00           C  
HETATM   39  N   UNL     1      -8.633  -1.432  -3.693  1.00  0.00           N  
HETATM   40  H   UNL     1      -1.602  -0.501   3.352  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.295  -1.621   2.155  1.00  0.00           H  
HETATM   42  H   UNL     1       0.226  -2.654   1.663  1.00  0.00           H  
HETATM   43  H   UNL     1       0.919  -1.534   2.861  1.00  0.00           H  
HETATM   44  H   UNL     1       1.760  -1.755  -0.065  1.00  0.00           H  
HETATM   45  H   UNL     1       2.452  -0.635   1.132  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.062   1.516   4.275  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.472   2.109  -1.170  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.985   1.610   0.577  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.535   1.420   2.005  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.250  -1.773  -0.941  1.00  0.00           H  
HETATM   51  H   UNL     1       6.002   4.425  -2.186  1.00  0.00           H  
HETATM   52  H   UNL     1       6.662   2.132  -2.782  1.00  0.00           H  
HETATM   53  H   UNL     1       4.615   3.055   1.610  1.00  0.00           H  
HETATM   54  H   UNL     1       5.269   0.756   1.029  1.00  0.00           H  
HETATM   55  H   UNL     1       5.743  -0.932   0.592  1.00  0.00           H  
HETATM   56  H   UNL     1       7.134   0.444  -3.218  1.00  0.00           H  
HETATM   57  H   UNL     1       7.790  -1.852  -3.806  1.00  0.00           H  
HETATM   58  H   UNL     1       7.432  -3.686  -2.208  1.00  0.00           H  
HETATM   59  H   UNL     1       7.044  -4.152   0.312  1.00  0.00           H  
HETATM   60  H   UNL     1       5.804  -5.017   2.086  1.00  0.00           H  
HETATM   61  H   UNL     1       4.287  -1.966  -0.007  1.00  0.00           H  
HETATM   62  H   UNL     1       3.170  -2.561   2.519  1.00  0.00           H  
HETATM   63  H   UNL     1       2.478  -3.681   1.321  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.986  -0.518   3.634  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.580  -1.052   1.989  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.857   0.467   3.318  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.036  -2.163  -3.918  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.467  -1.321  -4.176  1.00  0.00           H  
CONECT    1   38    7    7                                            
CONECT    2   33    9   40   41                                       
CONECT    3    5   33   42   43                                       
CONECT    4   13   13    7                                            
CONECT    5   32    3   44   45                                       
CONECT    6   35   46                                                 
CONECT    7    1    1    4   47                                       
CONECT    8   14   34   36   48                                       
CONECT    9    2   34   35   49                                       
CONECT   10   12   11   11                                            
CONECT   11   10   10   14   50                                       
CONECT   12   38   38   10   13                                       
CONECT   13   12   14    4    4                                       
CONECT   14   11   13    8                                            
CONECT   15   16                                                      
CONECT   16   17   17   19   15                                       
CONECT   17   18   16   16   51                                       
CONECT   18   21   21   17   52                                       
CONECT   19   20   20   16   53                                       
CONECT   20   21   19   19   54                                       
CONECT   21   22   18   18   20                                       
CONECT   22   24   24   23   21                                       
CONECT   23   27   27   22   55                                       
CONECT   24   25   22   22   56                                       
CONECT   25   26   26   24   57                                       
CONECT   26   25   25   27   58                                       
CONECT   27   26   28   23   23                                       
CONECT   28   29   27   59                                            
CONECT   29   31   28   30   30                                       
CONECT   30   29   29   60                                            
CONECT   31   32   29   61                                            
CONECT   32   31    5   62   63                                       
CONECT   33    3    2                                                 
CONECT   34    8    9                                                 
CONECT   35    9   36    6   64                                       
CONECT   36    8   35   37   65                                       
CONECT   37   36   66                                                 
CONECT   38   39   12   12    1                                       
CONECT   39   38   67   68                                            
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   11                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   39                                                      
CONECT   68   39                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
