COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.651   1.929   0.957  1.00  0.00           C  
HETATM    2  N   UNL     1       0.068   1.006   0.743  1.00  0.00           N  
HETATM    3  C   UNL     1       0.318  -0.306   0.141  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.323   0.244  -1.673  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.358   1.370  -1.180  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.196   3.131   0.736  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.516   3.691   0.272  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.696   0.267  -3.010  1.00  0.00           C  
HETATM    9  C   UNL     1       0.387  -0.751  -3.607  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.483  -1.354   0.870  1.00  0.00           C  
HETATM   11  O   UNL     1       8.161   1.913  -1.795  1.00  0.00           O  
HETATM   12  C   UNL     1       7.132   1.683  -1.185  1.00  0.00           C  
HETATM   13  N   UNL     1       6.189   2.638  -1.105  1.00  0.00           N  
HETATM   14  C   UNL     1       6.959   0.420  -0.579  1.00  0.00           C  
HETATM   15  C   UNL     1       5.822   0.140   0.105  1.00  0.00           C  
HETATM   16  C   UNL     1       4.790   1.174   0.198  1.00  0.00           C  
HETATM   17  C   UNL     1       5.011   2.417  -0.424  1.00  0.00           C  
HETATM   18  C   UNL     1       4.033   3.403  -0.347  1.00  0.00           C  
HETATM   19  C   UNL     1       2.864   3.155   0.340  1.00  0.00           C  
HETATM   20  S   UNL     1       1.148   1.639   1.827  1.00  0.00           S  
HETATM   21  C   UNL     1      -0.091  -0.279  -1.309  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.161   0.737  -0.724  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.107   1.966   0.013  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.447   2.535  -0.458  1.00  0.00           C  
HETATM   25  O   UNL     1      -7.825   3.621  -0.893  1.00  0.00           O  
HETATM   26  O   UNL     1      -8.347   4.268   1.154  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.841  -0.230  -3.973  1.00  0.00           C  
HETATM   28  C   UNL     1       0.761  -0.775  -2.277  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.072  -2.638   0.869  1.00  0.00           N  
HETATM   30  C   UNL     1       1.208  -2.996   0.254  1.00  0.00           C  
HETATM   31  C   UNL     1       2.283  -3.022   1.309  1.00  0.00           C  
HETATM   32  O   UNL     1       3.546  -3.328   0.973  1.00  0.00           O  
HETATM   33  O   UNL     1       2.009  -2.767   2.458  1.00  0.00           O  
HETATM   34  C   UNL     1      -0.905  -3.674   1.484  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.847  -4.239   0.452  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.586  -5.280  -0.339  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.606  -5.620  -1.211  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.695  -4.855  -1.128  1.00  0.00           C  
HETATM   39  S   UNL     1      -3.462  -3.630   0.112  1.00  0.00           S  
HETATM   40  O   UNL     1      -1.498  -1.043   1.457  1.00  0.00           O  
HETATM   41  O   UNL     1       1.421   0.610   2.769  1.00  0.00           O  
HETATM   42  O   UNL     1       0.645   2.916   2.196  1.00  0.00           O  
HETATM   43  C   UNL     1       3.595   0.944   0.889  1.00  0.00           C  
HETATM   44  H   UNL     1      -0.731   1.504   0.507  1.00  0.00           H  
HETATM   45  H   UNL     1       1.379  -0.543   0.215  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.104   2.164  -1.883  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.991   0.635  -1.676  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.598   3.928   1.179  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.372   2.353   1.479  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.655   0.674  -3.296  1.00  0.00           H  
HETATM   51  H   UNL     1       1.054  -1.139  -4.363  1.00  0.00           H  
HETATM   52  H   UNL     1       6.340   3.495  -1.533  1.00  0.00           H  
HETATM   53  H   UNL     1       7.735  -0.327  -0.660  1.00  0.00           H  
HETATM   54  H   UNL     1       5.682  -0.824   0.572  1.00  0.00           H  
HETATM   55  H   UNL     1       4.189   4.360  -0.823  1.00  0.00           H  
HETATM   56  H   UNL     1       2.106   3.921   0.399  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.283   1.189   0.757  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.509   2.763   0.456  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.044   1.738  -0.900  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.270   3.313  -1.201  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.182   4.613   0.809  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.131  -0.212  -5.013  1.00  0.00           H  
HETATM   63  H   UNL     1       1.720  -1.182  -1.994  1.00  0.00           H  
HETATM   64  H   UNL     1       1.127  -3.981  -0.206  1.00  0.00           H  
HETATM   65  H   UNL     1       1.464  -2.260  -0.508  1.00  0.00           H  
HETATM   66  H   UNL     1       4.201  -3.332   1.685  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.269  -4.470   1.870  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.480  -3.240   2.302  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.650  -5.818  -0.302  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.525  -6.443  -1.906  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.585  -4.972  -1.729  1.00  0.00           H  
HETATM   72  H   UNL     1       3.421  -0.008   1.368  1.00  0.00           H  
CONECT    1   43   43   19   20                                       
CONECT    2   20    3   44                                            
CONECT    3    2   10   21   45                                       
CONECT    4   22   21   21    8                                       
CONECT    5   23   22   46   47                                       
CONECT    6    7   24   48   49                                       
CONECT    7   25   25   26    6                                       
CONECT    8    4   27   27   50                                       
CONECT    9   28   28   27   51                                       
CONECT   10   40   40   29    3                                       
CONECT   11   12   12                                                 
CONECT   12   11   11   14   13                                       
CONECT   13   12   17   52                                            
CONECT   14   12   15   15   53                                       
CONECT   15   14   14   16   54                                       
CONECT   16   15   17   17   43                                       
CONECT   17   13   16   16   18                                       
CONECT   18   17   19   19   55                                       
CONECT   19   18   18    1   56                                       
CONECT   20    1   41   41   42                                       
CONECT   20   42    2                                                 
CONECT   21    3    4    4   28                                       
CONECT   22    5    4                                                 
CONECT   23   24    5   57   58                                       
CONECT   24    6   23   59   60                                       
CONECT   25    7    7                                                 
CONECT   26    7   61                                                 
CONECT   27    8    8    9   62                                       
CONECT   28   21    9    9   63                                       
CONECT   29   30   10   34                                            
CONECT   30   29   31   64   65                                       
CONECT   31   30   33   33   32                                       
CONECT   32   31   66                                                 
CONECT   33   31   31                                                 
CONECT   34   35   29   67   68                                       
CONECT   35   39   36   36   34                                       
CONECT   36   37   35   35   69                                       
CONECT   37   38   38   36   70                                       
CONECT   38   37   37   39   71                                       
CONECT   39   38   35                                                 
CONECT   40   10   10                                                 
CONECT   41   20   20                                                 
CONECT   42   20   20                                                 
CONECT   43   16    1    1   72                                       
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   32                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   43                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
