COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.414   0.182   0.090  1.00  0.00           N  
HETATM    2  N   UNL     1       3.657   4.605  -3.731  1.00  0.00           N  
HETATM    3  C   UNL     1       0.042  -1.089  -0.145  1.00  0.00           C  
HETATM    4  C   UNL     1       0.340   2.248   1.386  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.657   0.751  -0.436  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.818   0.384   0.492  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.276   0.623   0.867  1.00  0.00           C  
HETATM    8  C   UNL     1       1.536   3.071   0.904  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.523  -4.333  -1.204  1.00  0.00           C  
HETATM   10  C   UNL     1       5.072   2.642   0.468  1.00  0.00           C  
HETATM   11  C   UNL     1       5.126   3.659  -0.458  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.981  -1.835  -2.289  1.00  0.00           C  
HETATM   13  C   UNL     1       3.555  -3.991  -0.547  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.603  -2.800  -3.053  1.00  0.00           C  
HETATM   15  C   UNL     1       3.472   1.469  -0.905  1.00  0.00           C  
HETATM   16  C   UNL     1       3.697  -4.703   0.633  1.00  0.00           C  
HETATM   17  O   UNL     1       5.127   5.636  -2.424  1.00  0.00           O  
HETATM   18  C   UNL     1       4.406   4.676  -2.613  1.00  0.00           C  
HETATM   19  C   UNL     1       4.350   3.588  -1.618  1.00  0.00           C  
HETATM   20  C   UNL     1       3.521   2.483  -1.835  1.00  0.00           C  
HETATM   21  C   UNL     1       4.246   1.543   0.249  1.00  0.00           C  
HETATM   22  N   UNL     1       4.198   0.515   1.184  1.00  0.00           N  
HETATM   23  S   UNL     1       2.891   0.372   2.191  1.00  0.00           S  
HETATM   24  O   UNL     1       3.127  -0.777   2.993  1.00  0.00           O  
HETATM   25  O   UNL     1       2.659   1.664   2.734  1.00  0.00           O  
HETATM   26  C   UNL     1       1.495  -0.003   1.184  1.00  0.00           C  
HETATM   27  C   UNL     1       1.242  -1.233   0.532  1.00  0.00           C  
HETATM   28  C   UNL     1       2.096  -2.444   0.567  1.00  0.00           C  
HETATM   29  C   UNL     1       2.760  -2.864  -0.585  1.00  0.00           C  
HETATM   30  C   UNL     1       2.238  -3.166   1.751  1.00  0.00           C  
HETATM   31  C   UNL     1       3.039  -4.289   1.780  1.00  0.00           C  
HETATM   32  F   UNL     1       4.480  -5.803   0.666  1.00  0.00           F  
HETATM   33  C   UNL     1       0.476   0.830   0.896  1.00  0.00           C  
HETATM   34  C   UNL     1       0.299   2.257   2.916  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.624  -2.117  -0.968  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.875  -4.047  -2.514  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.901  -3.376  -0.430  1.00  0.00           C  
HETATM   38  F   UNL     1      -2.484  -4.988  -3.267  1.00  0.00           F  
HETATM   39  C   UNL     1      -4.132   0.878  -0.116  1.00  0.00           C  
HETATM   40  O   UNL     1      -4.386   0.177  -1.335  1.00  0.00           O  
HETATM   41  C   UNL     1      -6.568   1.228   0.314  1.00  0.00           C  
HETATM   42  O   UNL     1      -6.940   0.544  -0.884  1.00  0.00           O  
HETATM   43  C   UNL     1      -7.684   1.083   1.351  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.922   1.786   0.859  1.00  0.00           C  
HETATM   45  O   UNL     1      -8.913   2.346  -0.212  1.00  0.00           O  
HETATM   46  O   UNL     1     -10.035   1.791   1.609  1.00  0.00           O  
HETATM   47  H   UNL     1       3.694   5.321  -4.385  1.00  0.00           H  
HETATM   48  H   UNL     1       3.081   3.839  -3.882  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.580   2.681   0.995  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.566   1.836  -0.491  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.848   0.351  -1.431  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.858  -0.698   0.613  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.668   0.854   1.464  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.406  -0.451   1.002  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.041   1.084   1.827  1.00  0.00           H  
HETATM   56  H   UNL     1       1.421   3.292  -0.157  1.00  0.00           H  
HETATM   57  H   UNL     1       1.586   4.004   1.465  1.00  0.00           H  
HETATM   58  H   UNL     1       2.454   2.504   1.059  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.741  -5.305  -0.787  1.00  0.00           H  
HETATM   60  H   UNL     1       5.675   2.694   1.362  1.00  0.00           H  
HETATM   61  H   UNL     1       5.767   4.511  -0.288  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.770  -0.864  -2.711  1.00  0.00           H  
HETATM   63  H   UNL     1       4.070  -4.318  -1.439  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.879  -2.583  -4.075  1.00  0.00           H  
HETATM   65  H   UNL     1       2.831   0.616  -1.072  1.00  0.00           H  
HETATM   66  H   UNL     1       2.921   2.425  -2.731  1.00  0.00           H  
HETATM   67  H   UNL     1       4.929  -0.119   1.246  1.00  0.00           H  
HETATM   68  H   UNL     1       2.654  -2.308  -1.505  1.00  0.00           H  
HETATM   69  H   UNL     1       1.725  -2.844   2.646  1.00  0.00           H  
HETATM   70  H   UNL     1       3.149  -4.849   2.697  1.00  0.00           H  
HETATM   71  H   UNL     1       0.963   1.484   3.302  1.00  0.00           H  
HETATM   72  H   UNL     1       0.623   3.231   3.282  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.720   2.063   3.253  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.627  -3.600   0.591  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.059   1.947  -0.320  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.463  -0.781  -1.229  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.410   2.284   0.096  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.097  -0.403  -0.764  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.903   0.026   1.504  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.364   1.528   2.294  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.804   2.255   1.251  1.00  0.00           H  
CONECT    1    5    3   33                                            
CONECT    2   18   47   48                                            
CONECT    3    1   35   27   27                                       
CONECT    4    8   33   34   49                                       
CONECT    5    1    6   50   51                                       
CONECT    6    5   39   52   53                                       
CONECT    7   39   41   54   55                                       
CONECT    8    4   56   57   58                                       
CONECT    9   37   37   36   59                                       
CONECT   10   11   11   21   60                                       
CONECT   11   10   10   19   61                                       
CONECT   12   35   35   14   62                                       
CONECT   13   16   16   29   63                                       
CONECT   14   12   36   36   64                                       
CONECT   15   20   21   21   65                                       
CONECT   16   13   13   31   32                                       
CONECT   17   18   18                                                 
CONECT   18    2   17   17   19                                       
CONECT   19   11   18   20   20                                       
CONECT   20   15   19   19   66                                       
CONECT   21   10   15   15   22                                       
CONECT   22   21   23   67                                            
CONECT   23   22   26   24   24                                       
CONECT   23   25   25                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   33   33   27                                       
CONECT   27    3    3   26   28                                       
CONECT   28   27   30   29   29                                       
CONECT   29   13   28   28   68                                       
CONECT   30   28   31   31   69                                       
CONECT   31   16   30   30   70                                       
CONECT   32   16                                                      
CONECT   33    1    4   26   26                                       
CONECT   34    4   71   72   73                                       
CONECT   35    3   12   12   37                                       
CONECT   36    9   14   14   38                                       
CONECT   37    9    9   35   74                                       
CONECT   38   36                                                      
CONECT   39    6    7   40   75                                       
CONECT   40   39   76                                                 
CONECT   41    7   42   43   77                                       
CONECT   42   41   78                                                 
CONECT   43   41   44   79   80                                       
CONECT   44   43   45   45   46                                       
CONECT   45   44   44                                                 
CONECT   46   44   81                                                 
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   20                                                      
CONECT   67   22                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   37                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   43                                                      
CONECT   80   43                                                      
CONECT   81   46                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
