COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.985   1.681   4.022  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.088   2.058   3.041  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.373   1.810   1.711  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.556   1.185   1.363  1.00  0.00           C  
HETATM    5  S   UNL     1      -4.919   0.869  -0.332  1.00  0.00           S  
HETATM    6  O   UNL     1      -6.333   0.738  -0.406  1.00  0.00           O  
HETATM    7  O   UNL     1      -4.139   1.796  -1.074  1.00  0.00           O  
HETATM    8  N   UNL     1      -4.310  -0.627  -0.699  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.912  -0.767  -1.112  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.040  -1.030   0.117  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.549  -1.094  -0.286  1.00  0.00           C  
HETATM   12  C   UNL     1       0.164   0.220   0.038  1.00  0.00           C  
HETATM   13  N   UNL     1       1.571   0.123  -0.358  1.00  0.00           N  
HETATM   14  C   UNL     1       2.488  -0.329   0.521  1.00  0.00           C  
HETATM   15  O   UNL     1       2.146  -0.667   1.634  1.00  0.00           O  
HETATM   16  C   UNL     1       3.938  -0.413   0.120  1.00  0.00           C  
HETATM   17  O   UNL     1       4.686  -1.036   1.166  1.00  0.00           O  
HETATM   18  C   UNL     1       5.979  -1.084   0.749  1.00  0.00           C  
HETATM   19  C   UNL     1       6.840  -0.034   1.033  1.00  0.00           C  
HETATM   20  C   UNL     1       6.343   1.162   1.804  1.00  0.00           C  
HETATM   21  C   UNL     1       8.154  -0.085   0.609  1.00  0.00           C  
HETATM   22  C   UNL     1       8.611  -1.182  -0.099  1.00  0.00           C  
HETATM   23  C   UNL     1       7.754  -2.229  -0.383  1.00  0.00           C  
HETATM   24  C   UNL     1       6.442  -2.186   0.044  1.00  0.00           C  
HETATM   25  C   UNL     1       5.509  -3.328  -0.266  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.002  -2.246   0.597  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.123  -3.222   0.617  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.358  -2.414   0.712  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.455   0.812   2.344  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.168   1.056   3.674  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.731  -2.462  -2.981  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.813  -2.077  -1.971  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.169  -1.810  -0.609  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.822  -3.220  -1.843  1.00  0.00           C  
HETATM   35  C   UNL     1       1.982   0.517  -1.708  1.00  0.00           C  
HETATM   36  C   UNL     1       2.195   2.008  -1.753  1.00  0.00           C  
HETATM   37  C   UNL     1       3.465   2.530  -1.596  1.00  0.00           C  
HETATM   38  C   UNL     1       3.660   3.898  -1.638  1.00  0.00           C  
HETATM   39  C   UNL     1       2.585   4.744  -1.837  1.00  0.00           C  
HETATM   40  C   UNL     1       1.315   4.222  -1.994  1.00  0.00           C  
HETATM   41  C   UNL     1       1.120   2.854  -1.957  1.00  0.00           C  
HETATM   42  H   UNL     1      -3.762   1.874   5.061  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.163   2.546   3.313  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.672   2.105   0.944  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.820  -1.601  -1.808  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.584   0.151  -1.601  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.197  -0.252   0.865  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.446  -1.337  -1.344  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.311   1.035  -0.508  1.00  0.00           H  
HETATM   50  H   UNL     1       0.100   0.415   1.108  1.00  0.00           H  
HETATM   51  H   UNL     1       4.029  -1.003  -0.793  1.00  0.00           H  
HETATM   52  H   UNL     1       4.326   0.590  -0.056  1.00  0.00           H  
HETATM   53  H   UNL     1       6.490   0.993   2.871  1.00  0.00           H  
HETATM   54  H   UNL     1       6.897   2.048   1.497  1.00  0.00           H  
HETATM   55  H   UNL     1       5.282   1.308   1.603  1.00  0.00           H  
HETATM   56  H   UNL     1       8.824   0.732   0.829  1.00  0.00           H  
HETATM   57  H   UNL     1       9.638  -1.220  -0.430  1.00  0.00           H  
HETATM   58  H   UNL     1       8.114  -3.085  -0.936  1.00  0.00           H  
HETATM   59  H   UNL     1       5.555  -4.063   0.537  1.00  0.00           H  
HETATM   60  H   UNL     1       4.490  -2.951  -0.356  1.00  0.00           H  
HETATM   61  H   UNL     1       5.807  -3.796  -1.204  1.00  0.00           H  
HETATM   62  H   UNL     1       0.214  -1.889   1.603  1.00  0.00           H  
HETATM   63  H   UNL     1       0.885  -2.690   0.145  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.045  -3.735   1.482  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.655  -2.311   1.755  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.156  -2.889   0.141  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.380   0.324   2.072  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.869   0.762   4.441  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.199  -2.771  -3.915  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.083  -1.605  -3.165  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.138  -3.286  -2.581  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.325  -1.177  -2.313  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.948  -1.638   0.134  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.571  -2.672  -0.315  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.310  -4.119  -1.501  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.594  -2.945  -1.124  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.281  -3.410  -2.814  1.00  0.00           H  
HETATM   78  H   UNL     1       2.911   0.009  -1.968  1.00  0.00           H  
HETATM   79  H   UNL     1       1.204   0.239  -2.419  1.00  0.00           H  
HETATM   80  H   UNL     1       4.305   1.869  -1.441  1.00  0.00           H  
HETATM   81  H   UNL     1       4.653   4.306  -1.515  1.00  0.00           H  
HETATM   82  H   UNL     1       2.738   5.812  -1.868  1.00  0.00           H  
HETATM   83  H   UNL     1       0.475   4.883  -2.149  1.00  0.00           H  
HETATM   84  H   UNL     1       0.128   2.446  -2.080  1.00  0.00           H  
CONECT    1    2    2   30   42                                       
CONECT    2    1    1    3   43                                       
CONECT    3    2    4    4   44                                       
CONECT    4    3    3    5   29                                       
CONECT    5    4    6    6    7                                       
CONECT    5    7    8                                                 
CONECT    6    5    5                                                 
CONECT    7    5    5                                                 
CONECT    8    5    9   33                                            
CONECT    9    8   10   45   46                                       
CONECT   10    9   11   28   47                                       
CONECT   11   10   12   26   48                                       
CONECT   12   11   13   49   50                                       
CONECT   13   12   14   35                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   51   52                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   24                                       
CONECT   19   18   18   20   21                                       
CONECT   20   19   53   54   55                                       
CONECT   21   19   22   22   56                                       
CONECT   22   21   21   23   57                                       
CONECT   23   22   24   24   58                                       
CONECT   24   18   23   23   25                                       
CONECT   25   24   59   60   61                                       
CONECT   26   11   27   62   63                                       
CONECT   27   26   28   64                                            
CONECT   28   10   27   65   66                                       
CONECT   29    4   30   30   67                                       
CONECT   30    1   29   29   68                                       
CONECT   31   32   69   70   71                                       
CONECT   32   31   33   34   72                                       
CONECT   33    8   32   73   74                                       
CONECT   34   32   75   76   77                                       
CONECT   35   13   36   78   79                                       
CONECT   36   35   37   37   41                                       
CONECT   37   36   36   38   80                                       
CONECT   38   37   39   39   81                                       
CONECT   39   38   38   40   82                                       
CONECT   40   39   41   41   83                                       
CONECT   41   36   40   40   84                                       
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
