COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.946  -0.333   7.882  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.391  -0.529   8.152  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.293  -0.795   7.126  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.881  -0.869   5.830  1.00  0.00           C  
HETATM    5  C   UNL     1       0.473  -0.676   5.512  1.00  0.00           C  
HETATM    6  C   UNL     1       0.926  -0.746   4.183  1.00  0.00           C  
HETATM    7  C   UNL     1       2.247  -0.558   3.911  1.00  0.00           C  
HETATM    8  C   UNL     1       3.157  -0.285   4.930  1.00  0.00           C  
HETATM    9  C   UNL     1       2.753  -0.205   6.227  1.00  0.00           C  
HETATM   10  C   UNL     1       1.400  -0.399   6.547  1.00  0.00           C  
HETATM   11  C   UNL     1       1.383   1.168   9.563  1.00  0.00           C  
HETATM   12  C   UNL     1       1.677  -1.145   9.902  1.00  0.00           C  
HETATM   13  N   UNL     1       1.840  -0.068   8.916  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.800   1.509   2.430  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.954   2.442   3.604  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.626   2.031   1.252  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.472   1.099   0.078  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.345   0.038  -0.078  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.206  -0.818  -1.153  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.190  -0.613  -2.075  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.316   0.452  -1.915  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.462   1.308  -0.841  1.00  0.00           C  
HETATM   23  S   UNL     1      -0.205  -1.090   2.878  1.00  0.00           S  
HETATM   24  O   UNL     1       0.554  -1.025   1.679  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.964  -2.211   3.311  1.00  0.00           O  
HETATM   26  N   UNL     1      -1.273   0.173   2.803  1.00  0.00           N  
HETATM   27  O   UNL     1      -0.192   3.369   3.742  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.938   2.242   4.495  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.052  -1.454  -3.134  1.00  0.00           O  
HETATM   30  S   UNL     1      -1.893  -0.880  -4.265  1.00  0.00           S  
HETATM   31  O   UNL     1      -2.175  -1.972  -5.129  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.865  -0.052  -3.641  1.00  0.00           O  
HETATM   33  C   UNL     1       1.723   0.068  -7.865  1.00  0.00           C  
HETATM   34  C   UNL     1       1.767  -1.291  -8.084  1.00  0.00           C  
HETATM   35  C   UNL     1       0.954  -2.156  -7.357  1.00  0.00           C  
HETATM   36  C   UNL     1       0.094  -1.686  -6.413  1.00  0.00           C  
HETATM   37  C   UNL     1       0.021  -0.306  -6.155  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.860   0.207  -5.189  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.909   1.550  -4.968  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.100   2.425  -5.689  1.00  0.00           C  
HETATM   41  C   UNL     1       0.762   1.962  -6.636  1.00  0.00           C  
HETATM   42  C   UNL     1       0.840   0.584  -6.891  1.00  0.00           C  
HETATM   43  C   UNL     1       3.927   0.527  -8.319  1.00  0.00           C  
HETATM   44  C   UNL     1       2.294   0.634 -10.016  1.00  0.00           C  
HETATM   45  N   UNL     1       2.540   0.925  -8.598  1.00  0.00           N  
HETATM   46  H   UNL     1      -0.743  -0.476   9.171  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.336  -0.945   7.361  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.595  -1.077   5.047  1.00  0.00           H  
HETATM   49  H   UNL     1       2.593  -0.616   2.889  1.00  0.00           H  
HETATM   50  H   UNL     1       4.199  -0.136   4.687  1.00  0.00           H  
HETATM   51  H   UNL     1       3.469   0.007   7.007  1.00  0.00           H  
HETATM   52  H   UNL     1       2.055   1.419  10.384  1.00  0.00           H  
HETATM   53  H   UNL     1       1.381   1.979   8.834  1.00  0.00           H  
HETATM   54  H   UNL     1       0.374   1.025   9.950  1.00  0.00           H  
HETATM   55  H   UNL     1       2.005  -2.089   9.467  1.00  0.00           H  
HETATM   56  H   UNL     1       2.277  -0.924  10.785  1.00  0.00           H  
HETATM   57  H   UNL     1       0.627  -1.221  10.187  1.00  0.00           H  
HETATM   58  H   UNL     1       0.249   1.456   2.143  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.676   2.084   1.539  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.274   3.025   0.975  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.136  -0.120   0.639  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.888  -1.646  -1.275  1.00  0.00           H  
HETATM   63  H   UNL     1       0.476   0.613  -2.631  1.00  0.00           H  
HETATM   64  H   UNL     1       0.217   2.138  -0.716  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.210   0.029   3.005  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.036   2.841   5.248  1.00  0.00           H  
HETATM   67  H   UNL     1       2.441  -1.690  -8.827  1.00  0.00           H  
HETATM   68  H   UNL     1       1.006  -3.218  -7.546  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.529  -2.373  -5.860  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.585   1.942  -4.223  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.158   3.486  -5.495  1.00  0.00           H  
HETATM   72  H   UNL     1       1.384   2.652  -7.188  1.00  0.00           H  
HETATM   73  H   UNL     1       4.608   1.172  -8.873  1.00  0.00           H  
HETATM   74  H   UNL     1       4.124   0.621  -7.252  1.00  0.00           H  
HETATM   75  H   UNL     1       4.076  -0.507  -8.627  1.00  0.00           H  
HETATM   76  H   UNL     1       2.914   1.283 -10.634  1.00  0.00           H  
HETATM   77  H   UNL     1       2.541  -0.407 -10.221  1.00  0.00           H  
HETATM   78  H   UNL     1       1.243   0.809 -10.246  1.00  0.00           H  
CONECT    1    2    2   10   13                                       
CONECT    2    1    1    3   46                                       
CONECT    3    2    4    4   47                                       
CONECT    4    3    3    5   48                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   23                                       
CONECT    7    6    8    8   49                                       
CONECT    8    7    7    9   50                                       
CONECT    9    8   10   10   51                                       
CONECT   10    1    5    9    9                                       
CONECT   11   13   52   53   54                                       
CONECT   12   13   55   56   57                                       
CONECT   13    1   11   12                                            
CONECT   14   15   16   26   58                                       
CONECT   15   14   27   27   28                                       
CONECT   16   14   17   59   60                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   61                                       
CONECT   19   18   20   20   62                                       
CONECT   20   19   19   21   29                                       
CONECT   21   20   22   22   63                                       
CONECT   22   17   21   21   64                                       
CONECT   23    6   24   24   25                                       
CONECT   23   25   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   14   23   65                                            
CONECT   27   15   15                                                 
CONECT   28   15   66                                                 
CONECT   29   20   30                                                 
CONECT   30   29   31   31   32                                       
CONECT   30   32   38                                                 
CONECT   31   30   30                                                 
CONECT   32   30   30                                                 
CONECT   33   34   34   42   45                                       
CONECT   34   33   33   35   67                                       
CONECT   35   34   36   36   68                                       
CONECT   36   35   35   37   69                                       
CONECT   37   36   38   38   42                                       
CONECT   38   30   37   37   39                                       
CONECT   39   38   40   40   70                                       
CONECT   40   39   39   41   71                                       
CONECT   41   40   42   42   72                                       
CONECT   42   33   37   41   41                                       
CONECT   43   45   73   74   75                                       
CONECT   44   45   76   77   78                                       
CONECT   45   33   43   44                                            
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   14                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   26                                                      
CONECT   66   28                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
CONECT   72   41                                                      
CONECT   73   43                                                      
CONECT   74   43                                                      
CONECT   75   43                                                      
CONECT   76   44                                                      
CONECT   77   44                                                      
CONECT   78   44                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
