COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -11.137   3.626   0.175  1.00  0.00           O  
HETATM    2  C   UNL     1     -10.759   2.428  -0.311  1.00  0.00           C  
HETATM    3  O   UNL     1     -11.220   2.025  -1.360  1.00  0.00           O  
HETATM    4  C   UNL     1      -9.783   1.604   0.431  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.384   0.364  -0.073  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.250   2.064   1.637  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.339   1.290   2.325  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.953   0.060   1.823  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.473  -0.400   0.626  1.00  0.00           C  
HETATM   10  S   UNL     1      -7.969  -1.965  -0.009  1.00  0.00           S  
HETATM   11  O   UNL     1      -7.514  -2.721   1.105  1.00  0.00           O  
HETATM   12  O   UNL     1      -9.009  -2.401  -0.873  1.00  0.00           O  
HETATM   13  N   UNL     1      -6.644  -1.701  -0.967  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.398  -1.207  -0.375  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.250  -1.402  -1.367  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.004  -0.908  -0.775  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.857  -1.613  -0.637  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.810   0.273  -0.301  1.00  0.00           N  
HETATM   19  N   UNL     1      -1.608   0.381   0.143  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.970  -0.779  -0.046  1.00  0.00           C  
HETATM   21  C   UNL     1       0.456  -1.095   0.323  1.00  0.00           C  
HETATM   22  C   UNL     1       1.388  -0.063  -0.315  1.00  0.00           C  
HETATM   23  N   UNL     1       2.775  -0.370   0.044  1.00  0.00           N  
HETATM   24  C   UNL     1       3.777   0.410  -0.409  1.00  0.00           C  
HETATM   25  O   UNL     1       3.530   1.366  -1.113  1.00  0.00           O  
HETATM   26  C   UNL     1       5.203   0.095  -0.040  1.00  0.00           C  
HETATM   27  C   UNL     1       6.136   1.127  -0.678  1.00  0.00           C  
HETATM   28  C   UNL     1       7.562   0.811  -0.309  1.00  0.00           C  
HETATM   29  O   UNL     1       7.809  -0.145   0.396  1.00  0.00           O  
HETATM   30  N   UNL     1       8.564   1.591  -0.761  1.00  0.00           N  
HETATM   31  C   UNL     1       9.878   1.357  -0.341  1.00  0.00           C  
HETATM   32  C   UNL     1      10.312   0.060  -0.114  1.00  0.00           C  
HETATM   33  C   UNL     1      10.749   2.424  -0.156  1.00  0.00           C  
HETATM   34  C   UNL     1      12.048   2.197   0.258  1.00  0.00           C  
HETATM   35  C   UNL     1      12.489   0.911   0.492  1.00  0.00           C  
HETATM   36  C   UNL     1      11.623  -0.168   0.304  1.00  0.00           C  
HETATM   37  C   UNL     1      12.092  -1.548   0.554  1.00  0.00           C  
HETATM   38  O   UNL     1      11.336  -2.486   0.391  1.00  0.00           O  
HETATM   39  N   UNL     1      13.357  -1.766   0.964  1.00  0.00           N  
HETATM   40  H   UNL     1     -11.778   4.129  -0.346  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.789   0.004  -1.007  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.550   3.024   2.030  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.927   1.644   3.258  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.239  -0.542   2.366  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.693  -1.874  -1.920  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.502  -0.147  -0.143  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.186  -1.761   0.540  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.146  -2.462  -1.599  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.462  -0.849  -2.282  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.685  -2.636  -0.938  1.00  0.00           H  
HETATM   51  H   UNL     1       0.567  -1.062   1.407  1.00  0.00           H  
HETATM   52  H   UNL     1       0.714  -2.090  -0.039  1.00  0.00           H  
HETATM   53  H   UNL     1       1.278  -0.095  -1.399  1.00  0.00           H  
HETATM   54  H   UNL     1       1.131   0.932   0.047  1.00  0.00           H  
HETATM   55  H   UNL     1       2.973  -1.134   0.607  1.00  0.00           H  
HETATM   56  H   UNL     1       5.314   0.127   1.044  1.00  0.00           H  
HETATM   57  H   UNL     1       5.461  -0.900  -0.401  1.00  0.00           H  
HETATM   58  H   UNL     1       6.025   1.094  -1.762  1.00  0.00           H  
HETATM   59  H   UNL     1       5.878   2.122  -0.316  1.00  0.00           H  
HETATM   60  H   UNL     1       8.374   2.315  -1.378  1.00  0.00           H  
HETATM   61  H   UNL     1       9.638  -0.771  -0.260  1.00  0.00           H  
HETATM   62  H   UNL     1      10.410   3.433  -0.338  1.00  0.00           H  
HETATM   63  H   UNL     1      12.721   3.030   0.400  1.00  0.00           H  
HETATM   64  H   UNL     1      13.505   0.738   0.816  1.00  0.00           H  
HETATM   65  H   UNL     1      13.960  -1.017   1.094  1.00  0.00           H  
HETATM   66  H   UNL     1      13.665  -2.671   1.128  1.00  0.00           H  
CONECT    1    2   40                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    6    6    5                                       
CONECT    5    4    9    9   41                                       
CONECT    6    4    4    7   42                                       
CONECT    7    6    8    8   43                                       
CONECT    8    7    7    9   44                                       
CONECT    9    5    5    8   10                                       
CONECT   10    9   12   12   11                                       
CONECT   10   11   13                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   14   45                                            
CONECT   14   15   13   46   47                                       
CONECT   15   14   16   48   49                                       
CONECT   16   17   15   18                                            
CONECT   17   20   20   16   50                                       
CONECT   18   16   19   19                                            
CONECT   19   20   18   18                                            
CONECT   20   21   17   17   19                                       
CONECT   21   22   20   51   52                                       
CONECT   22   23   21   53   54                                       
CONECT   23   24   22   55                                            
CONECT   24   26   23   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   27   24   56   57                                       
CONECT   27   28   26   58   59                                       
CONECT   28   30   29   29   27                                       
CONECT   29   28   28                                                 
CONECT   30   31   28   60                                            
CONECT   31   33   33   32   30                                       
CONECT   32   36   36   31   61                                       
CONECT   33   34   31   31   62                                       
CONECT   34   35   35   33   63                                       
CONECT   35   34   34   36   64                                       
CONECT   36   35   37   32   32                                       
CONECT   37   38   38   36   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   65   66                                            
CONECT   40    1                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   17                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   30                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
CONECT   65   39                                                      
CONECT   66   39                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
