COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.269  -0.362  -2.105  1.00  0.00           C  
HETATM    2  C   UNL     1       9.336  -0.508  -1.017  1.00  0.00           C  
HETATM    3  C   UNL     1       8.467  -1.431  -3.149  1.00  0.00           C  
HETATM    4  O   UNL     1       1.935  -0.190  -1.809  1.00  0.00           O  
HETATM    5  O   UNL     1      -1.185  -1.867   2.117  1.00  0.00           O  
HETATM    6  N   UNL     1      -4.054  -2.256   1.131  1.00  0.00           N  
HETATM    7  C   UNL     1       3.798   2.587   2.439  1.00  0.00           C  
HETATM    8  C   UNL     1       4.570  -0.650  -0.182  1.00  0.00           C  
HETATM    9  CA  UNL     1       2.348  -1.631   0.009  1.00  0.00           C  
HETATM   10  C   UNL     1       1.641  -1.224  -1.259  1.00  0.00           C  
HETATM   11  C   UNL     1       1.327  -1.766   1.140  1.00  0.00           C  
HETATM   12  C   UNL     1       2.033  -2.173   2.408  1.00  0.00           C  
HETATM   13  C   UNL     1       1.715  -3.295   3.004  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.895  -2.747   1.330  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.006  -1.045   1.722  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.229  -0.888  -0.118  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.412  -0.524  -3.368  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.668   0.855  -3.179  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.156   1.505  -2.102  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.935   1.233   1.248  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.046   3.538   0.879  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.495   4.185   0.717  1.00  0.00           O  
HETATM   23  S   UNL     1      -2.730   4.510   0.095  1.00  0.00           S  
HETATM   24  O   UNL     1      -2.852   4.383  -1.315  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.184   6.203   0.563  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.826   2.053   0.587  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.724  -0.190   0.968  1.00  0.00           N  
HETATM   28  O   UNL     1      -3.420  -0.773   2.754  1.00  0.00           O  
HETATM   29  C   UNL     1      -6.063  -0.330  -1.181  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.402   0.937  -1.169  1.00  0.00           N  
HETATM   31  O   UNL     1      -8.430   1.532  -4.080  1.00  0.00           O  
HETATM   32  O   UNL     1      -7.856  -1.132  -4.321  1.00  0.00           O  
HETATM   33  C   UNL     1      -6.547  -1.203  -2.321  1.00  0.00           C  
HETATM   34  N   UNL     1      -4.831  -2.133  -0.029  1.00  0.00           N  
HETATM   35  S   UNL     1      -3.320  -3.638   1.674  1.00  0.00           S  
HETATM   36  O   UNL     1      -3.134  -3.471   3.072  1.00  0.00           O  
HETATM   37  O   UNL     1      -4.043  -4.724   1.110  1.00  0.00           O  
HETATM   38  N   UNL     1      -1.807  -3.685   1.003  1.00  0.00           N  
HETATM   39  N   UNL     1       0.336  -2.786   0.785  1.00  0.00           N  
HETATM   40  N   UNL     1       3.338  -0.611   0.364  1.00  0.00           N  
HETATM   41  O   UNL     1       4.891  -1.581  -0.893  1.00  0.00           O  
HETATM   42  C   UNL     1       5.533   0.444   0.086  1.00  0.00           C  
HETATM   43  N   UNL     1       6.685   0.462  -0.523  1.00  0.00           N  
HETATM   44  O   UNL     1       6.972  -0.500  -1.522  1.00  0.00           O  
HETATM   45  O   UNL     1       7.587  -2.229  -3.371  1.00  0.00           O  
HETATM   46  O   UNL     1       9.620  -1.497  -3.832  1.00  0.00           O  
HETATM   47  C   UNL     1       8.392   1.016  -2.757  1.00  0.00           C  
HETATM   48  C   UNL     1       5.187   1.516   1.044  1.00  0.00           C  
HETATM   49  N   UNL     1       3.985   1.604   1.615  1.00  0.00           N  
HETATM   50  N   UNL     1       2.624   2.838   3.129  1.00  0.00           N  
HETATM   51  S   UNL     1       5.269   3.549   2.551  1.00  0.00           S  
HETATM   52  C   UNL     1       6.064   2.474   1.403  1.00  0.00           C  
HETATM   53  H   UNL     1       9.248  -1.490  -0.553  1.00  0.00           H  
HETATM   54  H   UNL     1      10.325  -0.403  -1.462  1.00  0.00           H  
HETATM   55  H   UNL     1       9.193   0.265  -0.262  1.00  0.00           H  
HETATM   56  HA  UNL     1       2.849  -2.586  -0.145  1.00  0.00           H  
HETATM   57  H   UNL     1       0.873  -1.858  -1.676  1.00  0.00           H  
HETATM   58  H   UNL     1       0.826  -0.811   1.294  1.00  0.00           H  
HETATM   59  H   UNL     1       2.802  -1.539   2.825  1.00  0.00           H  
HETATM   60  H   UNL     1       0.946  -3.928   2.588  1.00  0.00           H  
HETATM   61  H   UNL     1       2.221  -3.586   3.913  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.376   2.557  -1.998  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.916   1.398   2.325  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.902   1.542   0.850  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.027   3.703   1.956  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.012   3.848   0.481  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.191   6.290   1.650  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.459   6.902   0.147  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.176   6.434   0.175  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.859   1.743   0.985  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.845   1.888  -0.491  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.550   2.468  -3.869  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.124  -2.025  -1.897  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.674  -1.629  -2.815  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.576  -4.387   0.375  1.00  0.00           H  
HETATM   76  H   UNL     1       0.567  -3.488   0.157  1.00  0.00           H  
HETATM   77  H   UNL     1       3.108   0.091   0.992  1.00  0.00           H  
HETATM   78  H   UNL     1       9.700  -2.200  -4.491  1.00  0.00           H  
HETATM   79  H   UNL     1       8.249   1.789  -2.003  1.00  0.00           H  
HETATM   80  H   UNL     1       9.381   1.121  -3.202  1.00  0.00           H  
HETATM   81  H   UNL     1       7.632   1.120  -3.532  1.00  0.00           H  
HETATM   82  H   UNL     1       1.859   2.254   3.013  1.00  0.00           H  
HETATM   83  H   UNL     1       2.568   3.599   3.729  1.00  0.00           H  
HETATM   84  H   UNL     1       7.080   2.568   1.049  1.00  0.00           H  
CONECT    1    2    3   44   47                                       
CONECT    2    1   53   54   55                                       
CONECT    3   45   45    1   46                                       
CONECT    4   10   10                                                 
CONECT    5   14   14                                                 
CONECT    6   15   35   34                                            
CONECT    7   50   49   49   51                                       
CONECT    8   42   40   41   41                                       
CONECT    9   40   10   11   56                                       
CONECT   10    4    4    9   57                                       
CONECT   11    9   39   12   58                                       
CONECT   12   11   13   13   59                                       
CONECT   13   12   12   60   61                                       
CONECT   14    5    5   38   39                                       
CONECT   15   28   28   27    6                                       
CONECT   16   27   34   34   29                                       
CONECT   17   33   32   32   18                                       
CONECT   18   17   19   19   31                                       
CONECT   19   30   18   18   62                                       
CONECT   20   26   27   63   64                                       
CONECT   21   26   23   65   66                                       
CONECT   22   23   23                                                 
CONECT   23   24   24   22   22                                       
CONECT   23   21   25                                                 
CONECT   24   23   23                                                 
CONECT   25   23   67   68   69                                       
CONECT   26   20   21   70   71                                       
CONECT   27   15   20   16                                            
CONECT   28   15   15                                                 
CONECT   29   16   33   30   30                                       
CONECT   30   29   29   19                                            
CONECT   31   18   72                                                 
CONECT   32   17   17                                                 
CONECT   33   29   17   73   74                                       
CONECT   34    6   16   16                                            
CONECT   35   36   36    6   38                                       
CONECT   35   37   37                                                 
CONECT   36   35   35                                                 
CONECT   37   35   35                                                 
CONECT   38   35   14   75                                            
CONECT   39   14   11   76                                            
CONECT   40    8    9   77                                            
CONECT   41    8    8                                                 
CONECT   42   48   43   43    8                                       
CONECT   43   42   42   44                                            
CONECT   44   43    1                                                 
CONECT   45    3    3                                                 
CONECT   46    3   78                                                 
CONECT   47    1   79   80   81                                       
CONECT   48   49   52   52   42                                       
CONECT   49    7    7   48                                            
CONECT   50    7   82   83                                            
CONECT   51    7   52                                                 
CONECT   52   51   48   48   84                                       
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    2                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   31                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   46                                                      
CONECT   79   47                                                      
CONECT   80   47                                                      
CONECT   81   47                                                      
CONECT   82   50                                                      
CONECT   83   50                                                      
CONECT   84   52                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
