COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.075   1.369   0.292  1.00  0.00           C  
HETATM    2  N   UNL     1       3.356   0.878  -0.235  1.00  0.00           N  
HETATM    3  C   UNL     1       3.682   1.627  -1.462  1.00  0.00           C  
HETATM    4  C   UNL     1       2.316   2.128  -1.995  1.00  0.00           C  
HETATM    5  C   UNL     1       1.571   2.461  -0.675  1.00  0.00           C  
HETATM    6  C   UNL     1       1.079   0.240   0.353  1.00  0.00           C  
HETATM    7  O   UNL     1       1.405  -0.876   0.006  1.00  0.00           O  
HETATM    8  N   UNL     1      -0.174   0.469   0.794  1.00  0.00           N  
HETATM    9  C   UNL     1       4.109  -0.096   0.313  1.00  0.00           C  
HETATM   10  O   UNL     1       3.785  -0.590   1.373  1.00  0.00           O  
HETATM   11  C   UNL     1       5.354  -0.573  -0.390  1.00  0.00           C  
HETATM   12  C   UNL     1       6.551   0.163   0.154  1.00  0.00           C  
HETATM   13  C   UNL     1       5.529  -2.075  -0.156  1.00  0.00           C  
HETATM   14  C   UNL     1       4.280  -2.815  -0.638  1.00  0.00           C  
HETATM   15  C   UNL     1       6.749  -2.573  -0.934  1.00  0.00           C  
HETATM   16  C   UNL     1       7.405   0.951  -0.543  1.00  0.00           C  
HETATM   17  C   UNL     1       8.335   1.390   0.428  1.00  0.00           C  
HETATM   18  N   UNL     1       7.969   0.853   1.556  1.00  0.00           N  
HETATM   19  O   UNL     1       6.978   0.172   1.425  1.00  0.00           O  
HETATM   20  O   UNL     1       2.478   3.298  -2.800  1.00  0.00           O  
HETATM   21  C   UNL     1       9.518   2.295   0.200  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.142  -0.628   0.854  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.532  -0.085   0.645  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.820   1.221   0.997  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.091   1.726   0.808  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.088   0.918   0.261  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.795  -0.399  -0.094  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.516  -0.895   0.095  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.451   1.455   0.057  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.157   2.188   0.944  1.00  0.00           C  
HETATM   31  N   UNL     1      -8.349   2.546   0.520  1.00  0.00           N  
HETATM   32  C   UNL     1      -8.696   2.164  -0.663  1.00  0.00           C  
HETATM   33  S   UNL     1      -7.439   1.260  -1.388  1.00  0.00           S  
HETATM   34  C   UNL     1      -6.625   2.564   2.303  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.225  -2.175  -0.254  1.00  0.00           O  
HETATM   36  C   UNL     1      -4.286  -2.952  -0.814  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.773  -4.356  -1.142  1.00  0.00           C  
HETATM   38  O   UNL     1      -3.412  -5.025   0.068  1.00  0.00           O  
HETATM   39  C   UNL     1      -2.918  -6.352  -0.126  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.060  -1.307   2.223  1.00  0.00           C  
HETATM   41  H   UNL     1       2.218   1.792   1.286  1.00  0.00           H  
HETATM   42  H   UNL     1       4.332   2.471  -1.231  1.00  0.00           H  
HETATM   43  H   UNL     1       4.156   0.971  -2.193  1.00  0.00           H  
HETATM   44  H   UNL     1       1.800   1.344  -2.547  1.00  0.00           H  
HETATM   45  H   UNL     1       0.492   2.387  -0.812  1.00  0.00           H  
HETATM   46  H   UNL     1       1.848   3.452  -0.315  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.434   1.362   1.072  1.00  0.00           H  
HETATM   48  H   UNL     1       5.264  -0.379  -1.459  1.00  0.00           H  
HETATM   49  H   UNL     1       5.675  -2.262   0.907  1.00  0.00           H  
HETATM   50  H   UNL     1       4.178  -2.693  -1.716  1.00  0.00           H  
HETATM   51  H   UNL     1       4.370  -3.874  -0.399  1.00  0.00           H  
HETATM   52  H   UNL     1       3.400  -2.404  -0.141  1.00  0.00           H  
HETATM   53  H   UNL     1       7.639  -2.046  -0.591  1.00  0.00           H  
HETATM   54  H   UNL     1       6.873  -3.643  -0.768  1.00  0.00           H  
HETATM   55  H   UNL     1       6.603  -2.386  -1.998  1.00  0.00           H  
HETATM   56  H   UNL     1       7.382   1.188  -1.596  1.00  0.00           H  
HETATM   57  H   UNL     1       3.022   3.160  -3.588  1.00  0.00           H  
HETATM   58  H   UNL     1      10.391   1.694  -0.054  1.00  0.00           H  
HETATM   59  H   UNL     1       9.299   2.981  -0.618  1.00  0.00           H  
HETATM   60  H   UNL     1       9.720   2.864   1.108  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.915  -1.356   0.074  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.050   1.847   1.421  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.313   2.746   1.084  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.563  -1.030  -0.518  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.643   2.388  -1.131  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.167   3.552   2.254  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.444   2.579   3.023  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.880   1.833   2.617  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.103  -3.022  -0.097  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.643  -2.474  -1.727  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.555  -4.919  -1.650  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.899  -4.281  -1.789  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.682  -6.957  -0.614  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.026  -6.319  -0.753  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.667  -6.791   0.839  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.055  -1.700   2.374  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.286  -0.580   3.003  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.780  -2.124   2.268  1.00  0.00           H  
CONECT    1    2    6    5   41                                       
CONECT    2    9    3    1                                            
CONECT    3    2    4   42   43                                       
CONECT    4    3   20    5   44                                       
CONECT    5    4    1   45   46                                       
CONECT    6    1    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   22   47                                            
CONECT    9   11   10   10    2                                       
CONECT   10    9    9                                                 
CONECT   11   12   13    9   48                                       
CONECT   12   16   16   19   11                                       
CONECT   13   15   11   14   49                                       
CONECT   14   13   50   51   52                                       
CONECT   15   13   53   54   55                                       
CONECT   16   17   12   12   56                                       
CONECT   17   21   18   18   16                                       
CONECT   18   17   17   19                                            
CONECT   19   18   12                                                 
CONECT   20    4   57                                                 
CONECT   21   17   58   59   60                                       
CONECT   22    8   40   23   61                                       
CONECT   23   22   24   24   28                                       
CONECT   24   23   23   25   62                                       
CONECT   25   24   26   26   63                                       
CONECT   26   25   25   27   29                                       
CONECT   27   28   28   26   64                                       
CONECT   28   23   35   27   27                                       
CONECT   29   26   33   30   30                                       
CONECT   30   29   29   34   31                                       
CONECT   31   30   32   32                                            
CONECT   32   33   31   31   65                                       
CONECT   33   29   32                                                 
CONECT   34   30   66   67   68                                       
CONECT   35   36   28                                                 
CONECT   36   35   37   69   70                                       
CONECT   37   38   36   71   72                                       
CONECT   38   39   37                                                 
CONECT   39   38   73   74   75                                       
CONECT   40   22   76   77   78                                       
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    8                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   27                                                      
CONECT   65   32                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
