COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.596  -0.350  -2.386  1.00  0.00           C  
HETATM    2  C   UNL     1       6.750  -0.411   0.361  1.00  0.00           C  
HETATM    3  C   UNL     1       5.505  -0.297   1.128  1.00  0.00           C  
HETATM    4  C   UNL     1       1.987   0.146   0.294  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.636  -0.210   0.415  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.013   0.321   0.345  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.246   2.637  -0.510  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.095   5.150  -0.557  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.463   6.518  -0.578  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.576   3.566   0.458  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.913  -1.939   1.406  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.643  -4.435   2.685  1.00  0.00           C  
HETATM   13  C   UNL     1       8.617  -0.435  -1.244  1.00  0.00           C  
HETATM   14  S   UNL     1       6.983   0.063  -1.319  1.00  0.00           S  
HETATM   15  N   UNL     1       8.896  -0.886  -0.063  1.00  0.00           N  
HETATM   16  C   UNL     1       7.931  -0.895   0.822  1.00  0.00           C  
HETATM   17  O   UNL     1       5.469  -0.660   2.289  1.00  0.00           O  
HETATM   18  N   UNL     1       4.400   0.210   0.546  1.00  0.00           N  
HETATM   19  C   UNL     1       3.129   0.223   1.275  1.00  0.00           C  
HETATM   20  C   UNL     1       3.019   1.516   2.085  1.00  0.00           C  
HETATM   21  C   UNL     1       1.740   1.484   2.925  1.00  0.00           C  
HETATM   22  C   UNL     1       1.838   0.360   3.959  1.00  0.00           C  
HETATM   23  C   UNL     1       1.568   2.824   3.643  1.00  0.00           C  
HETATM   24  O   UNL     1       2.161   0.458  -0.865  1.00  0.00           O  
HETATM   25  N   UNL     1       0.772  -0.269   0.705  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.311  -0.438  -0.266  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.268  -1.857  -0.836  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.348  -2.009  -1.909  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.010  -1.113  -3.103  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.090  -1.265  -4.176  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.153  -2.723  -4.634  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.491  -3.618  -3.440  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.411  -3.467  -2.367  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.730  -0.340   1.617  1.00  0.00           O  
HETATM   35  N   UNL     1      -2.716   0.138  -0.312  1.00  0.00           N  
HETATM   36  C   UNL     1      -4.716  -1.032   0.471  1.00  0.00           C  
HETATM   37  S   UNL     1      -4.747  -3.543   1.555  1.00  0.00           S  
HETATM   38  O   UNL     1      -5.995  -3.346   2.204  1.00  0.00           O  
HETATM   39  O   UNL     1      -4.717  -4.189   0.289  1.00  0.00           O  
HETATM   40  C   UNL     1      -4.878   1.269  -0.488  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.001   4.823   0.435  1.00  0.00           C  
HETATM   42  N   UNL     1      -3.286   7.425  -1.390  1.00  0.00           N  
HETATM   43  C   UNL     1      -2.760   4.219  -1.521  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.339   2.964  -1.501  1.00  0.00           C  
HETATM   45  H   UNL     1      10.105   0.613  -2.358  1.00  0.00           H  
HETATM   46  H   UNL     1      10.329  -1.152  -2.296  1.00  0.00           H  
HETATM   47  H   UNL     1       9.061  -0.451  -3.331  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.861   0.745   1.337  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.394   6.903   0.439  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.464   6.450  -1.009  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.285   3.311   1.232  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.913  -2.086   0.999  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.841  -1.474   2.389  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.578  -3.897   3.630  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.036  -5.436   2.862  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.650  -4.509   2.240  1.00  0.00           H  
HETATM   57  H   UNL     1       8.065  -1.252   1.832  1.00  0.00           H  
HETATM   58  H   UNL     1       4.446   0.567  -0.355  1.00  0.00           H  
HETATM   59  H   UNL     1       3.088  -0.633   1.948  1.00  0.00           H  
HETATM   60  H   UNL     1       3.883   1.608   2.743  1.00  0.00           H  
HETATM   61  H   UNL     1       2.986   2.369   1.407  1.00  0.00           H  
HETATM   62  H   UNL     1       0.883   1.307   2.276  1.00  0.00           H  
HETATM   63  H   UNL     1       0.900   0.291   4.510  1.00  0.00           H  
HETATM   64  H   UNL     1       2.032  -0.585   3.452  1.00  0.00           H  
HETATM   65  H   UNL     1       2.651   0.574   4.653  1.00  0.00           H  
HETATM   66  H   UNL     1       1.499   3.625   2.907  1.00  0.00           H  
HETATM   67  H   UNL     1       0.658   2.801   4.242  1.00  0.00           H  
HETATM   68  H   UNL     1       2.425   3.001   4.293  1.00  0.00           H  
HETATM   69  H   UNL     1       0.616  -0.455   1.644  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.190   0.282  -1.075  1.00  0.00           H  
HETATM   71  H   UNL     1       0.711  -2.042  -1.277  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.448  -2.576  -0.036  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.314  -1.715  -1.497  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.965  -0.074  -2.776  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.045  -1.407  -3.515  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.056  -0.971  -3.764  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.849  -0.627  -5.026  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.922  -2.831  -5.398  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.188  -3.016  -5.046  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.457  -3.325  -3.028  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.536  -4.657  -3.766  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.446  -3.760  -2.779  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.652  -4.105  -1.517  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.635   0.268  -1.270  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.717  -0.886   0.878  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.788  -1.497  -0.512  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.956   0.889  -1.507  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.873   1.335  -0.048  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.260   5.550   1.191  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.235   7.455  -1.048  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.882   8.349  -1.420  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.045   4.471  -2.290  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.084   2.239  -2.260  1.00  0.00           H  
CONECT    1   13   45   46   47                                       
CONECT    2   16   16   14    3                                       
CONECT    3    2   17   17   18                                       
CONECT    4   19   24   24   25                                       
CONECT    5   26   34   34   35                                       
CONECT    6   35   40   36   48                                       
CONECT    7   10   10   44   40                                       
CONECT    8    9   41   41   43                                       
CONECT    9   42    8   49   50                                       
CONECT   10   41    7    7   51                                       
CONECT   11   36   37   52   53                                       
CONECT   12   37   54   55   56                                       
CONECT   13   15   15    1   14                                       
CONECT   14   13    2                                                 
CONECT   15   16   13   13                                            
CONECT   16   15    2    2   57                                       
CONECT   17    3    3                                                 
CONECT   18    3   19   58                                            
CONECT   19   18   20    4   59                                       
CONECT   20   21   19   60   61                                       
CONECT   21   22   20   23   62                                       
CONECT   22   21   63   64   65                                       
CONECT   23   21   66   67   68                                       
CONECT   24    4    4                                                 
CONECT   25    4   26   69                                            
CONECT   26   25   27    5   70                                       
CONECT   27   28   26   71   72                                       
CONECT   28   33   29   27   73                                       
CONECT   29   30   28   74   75                                       
CONECT   30   31   29   76   77                                       
CONECT   31   32   30   78   79                                       
CONECT   32   31   33   80   81                                       
CONECT   33   32   28   82   83                                       
CONECT   34    5    5                                                 
CONECT   35    5    6   84                                            
CONECT   36    6   11   85   86                                       
CONECT   37   12   39   39   11                                       
CONECT   37   38   38                                                 
CONECT   38   37   37                                                 
CONECT   39   37   37                                                 
CONECT   40    6    7   87   88                                       
CONECT   41    8    8   10   89                                       
CONECT   42    9   90   91                                            
CONECT   43    8   44   44   92                                       
CONECT   44   43   43    7   93                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    6                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   16                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
