COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.453   0.952   0.383  1.00  0.00           C  
HETATM    2  C   UNL     1       1.482  -0.069  -0.105  1.00  0.00           C  
HETATM    3  C   UNL     1       3.912  -0.094  -0.287  1.00  0.00           C  
HETATM    4  C   UNL     1       6.274  -0.217  -0.609  1.00  0.00           C  
HETATM    5  C   UNL     1       6.734   0.862  -1.614  1.00  0.00           C  
HETATM    6  C   UNL     1       8.536   0.615  -0.197  1.00  0.00           C  
HETATM    7  C   UNL     1       8.533   0.684   2.155  1.00  0.00           C  
HETATM    8  C   UNL     1       1.119  -1.455   0.430  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.388  -1.025   0.134  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.243  -1.644   0.601  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.163  -0.883   1.007  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.228   0.497   0.948  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.373   1.115   0.482  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.453   0.354   0.075  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.965   2.899  -0.651  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.914   0.629  -0.225  1.00  0.00           C  
HETATM   17  C   UNL     1       7.495  -0.423   0.308  1.00  0.00           C  
HETATM   18  C   UNL     1       7.160   0.111   1.724  1.00  0.00           C  
HETATM   19  C   UNL     1       2.061  -2.480  -0.149  1.00  0.00           C  
HETATM   20  C   UNL     1       1.751  -3.107  -1.341  1.00  0.00           C  
HETATM   21  C   UNL     1       2.614  -4.047  -1.873  1.00  0.00           C  
HETATM   22  C   UNL     1       3.788  -4.359  -1.212  1.00  0.00           C  
HETATM   23  C   UNL     1       4.098  -3.731  -0.020  1.00  0.00           C  
HETATM   24  C   UNL     1       3.237  -2.788   0.509  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.430  -2.209   0.895  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.517   5.247  -1.495  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.133   2.782  -1.632  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.249   4.075  -2.442  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.886   1.607  -2.581  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.563  -1.855  -0.315  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.297   0.303  -1.895  1.00  0.00           C  
HETATM   32  N   UNL     1      -1.872   1.673   0.146  1.00  0.00           N  
HETATM   33  N   UNL     1       2.812   0.309   0.379  1.00  0.00           N  
HETATM   34  O   UNL     1      -3.365   2.752   1.789  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.121   0.668   2.386  1.00  0.00           O  
HETATM   36  O   UNL     1       0.366   0.896   1.808  1.00  0.00           O  
HETATM   37  O   UNL     1       3.801  -0.771  -1.290  1.00  0.00           O  
HETATM   38  O   UNL     1       5.134   0.253   0.158  1.00  0.00           O  
HETATM   39  O   UNL     1       7.762   1.597  -0.919  1.00  0.00           O  
HETATM   40  O   UNL     1       9.113   1.231   0.962  1.00  0.00           O  
HETATM   41  O   UNL     1      -9.604  -2.895   0.456  1.00  0.00           O  
HETATM   42  O   UNL     1      -7.091  -3.056  -0.930  1.00  0.00           O  
HETATM   43  S   UNL     1      -2.851   1.467   1.466  1.00  0.00           S  
HETATM   44  H   UNL     1       0.759   1.952   0.076  1.00  0.00           H  
HETATM   45  H   UNL     1       1.485  -0.089  -1.195  1.00  0.00           H  
HETATM   46  H   UNL     1       6.027  -1.142  -1.130  1.00  0.00           H  
HETATM   47  H   UNL     1       7.142   0.396  -2.511  1.00  0.00           H  
HETATM   48  H   UNL     1       5.904   1.519  -1.872  1.00  0.00           H  
HETATM   49  H   UNL     1       9.295   0.153  -0.829  1.00  0.00           H  
HETATM   50  H   UNL     1       8.399   1.458   2.911  1.00  0.00           H  
HETATM   51  H   UNL     1       9.171  -0.112   2.539  1.00  0.00           H  
HETATM   52  H   UNL     1       1.203  -1.459   1.517  1.00  0.00           H  
HETATM   53  H   UNL     1       0.096  -1.699   0.144  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.192  -2.722   0.647  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.269  -1.366   1.372  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.424   2.193   0.436  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.348   0.837  -0.289  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.037   3.043  -1.205  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.129   3.750   0.010  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.827   0.584  -1.310  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.260  -0.333   0.152  1.00  0.00           H  
HETATM   62  H   UNL     1       7.867  -1.447   0.301  1.00  0.00           H  
HETATM   63  H   UNL     1       6.847  -0.698   2.384  1.00  0.00           H  
HETATM   64  H   UNL     1       6.404   0.894   1.680  1.00  0.00           H  
HETATM   65  H   UNL     1       0.834  -2.864  -1.857  1.00  0.00           H  
HETATM   66  H   UNL     1       2.372  -4.538  -2.804  1.00  0.00           H  
HETATM   67  H   UNL     1       4.462  -5.093  -1.627  1.00  0.00           H  
HETATM   68  H   UNL     1       5.015  -3.975   0.496  1.00  0.00           H  
HETATM   69  H   UNL     1       3.481  -2.295   1.438  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.865  -2.851   1.571  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.717  -1.295   1.416  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.547   6.175  -2.066  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.474   5.098  -0.994  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.722   5.302  -0.752  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.057   2.615  -1.079  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.072   3.986  -3.152  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.320   4.250  -2.983  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.476   1.742  -3.487  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.828   1.564  -2.839  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.155  -1.288  -1.033  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.015  -0.543  -2.522  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.794   0.225  -0.931  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.377   0.297  -1.742  1.00  0.00           H  
HETATM   84  H   UNL     1       2.901   0.849   1.180  1.00  0.00           H  
HETATM   85  H   UNL     1       0.097   0.034   2.152  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.201  -3.151   1.172  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.555  -3.612  -0.347  1.00  0.00           H  
CONECT    1   36   16    2   44                                       
CONECT    2    1    8   33   45                                       
CONECT    3   33   38   37   37                                       
CONECT    4   38    5   17   46                                       
CONECT    5   39    4   47   48                                       
CONECT    6   39   40   17   49                                       
CONECT    7   40   18   50   51                                       
CONECT    8    2   19   52   53                                       
CONECT    9   30   10   10   14                                       
CONECT   10    9    9   11   54                                       
CONECT   11   10   12   12   55                                       
CONECT   12   11   11   13   43                                       
CONECT   13   14   14   12   56                                       
CONECT   14    9   13   13   57                                       
CONECT   15   32   27   58   59                                       
CONECT   16    1   32   60   61                                       
CONECT   17    4    6   18   62                                       
CONECT   18    7   17   63   64                                       
CONECT   19    8   24   24   20                                       
CONECT   20   19   21   21   65                                       
CONECT   21   20   20   22   66                                       
CONECT   22   23   23   21   67                                       
CONECT   23   24   22   22   68                                       
CONECT   24   19   19   23   69                                       
CONECT   25   41   30   70   71                                       
CONECT   26   28   72   73   74                                       
CONECT   27   29   15   28   75                                       
CONECT   28   27   26   76   77                                       
CONECT   29   31   27   78   79                                       
CONECT   30   42   25    9   80                                       
CONECT   31   29   81   82   83                                       
CONECT   32   15   16   43                                            
CONECT   33    2    3   84                                            
CONECT   34   43   43                                                 
CONECT   35   43   43                                                 
CONECT   36    1   85                                                 
CONECT   37    3    3                                                 
CONECT   38    3    4                                                 
CONECT   39    5    6                                                 
CONECT   40    7    6                                                 
CONECT   41   25   86                                                 
CONECT   42   30   87                                                 
CONECT   43   12   32   35   35                                       
CONECT   43   34   34                                                 
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   33                                                      
CONECT   85   36                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
