COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.772   5.662   3.025  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.368   5.064   2.711  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.333   3.551   3.006  1.00  0.00           C  
HETATM    4  C   UNL     1       0.739   5.781   3.522  1.00  0.00           C  
HETATM    5  O   UNL     1       2.021   5.233   3.233  1.00  0.00           O  
HETATM    6  P   UNL     1       3.306   5.855   3.987  1.00  0.00           P  
HETATM    7  O   UNL     1       4.629   5.236   3.642  1.00  0.00           O  
HETATM    8  O   UNL     1       3.198   7.443   3.698  1.00  0.00           O  
HETATM    9  O   UNL     1       2.896   5.741   5.547  1.00  0.00           O  
HETATM   10  P   UNL     1       2.667   4.450   6.492  1.00  0.00           P  
HETATM   11  O   UNL     1       1.579   3.528   6.022  1.00  0.00           O  
HETATM   12  O   UNL     1       4.135   3.771   6.555  1.00  0.00           O  
HETATM   13  O   UNL     1       2.443   5.064   7.972  1.00  0.00           O  
HETATM   14  C   UNL     1       3.403   5.948   8.525  1.00  0.00           C  
HETATM   15  C   UNL     1       2.946   6.369   9.911  1.00  0.00           C  
HETATM   16  O   UNL     1       3.884   7.305  10.468  1.00  0.00           O  
HETATM   17  C   UNL     1       1.611   7.093   9.915  1.00  0.00           C  
HETATM   18  O   UNL     1       0.521   6.198   9.854  1.00  0.00           O  
HETATM   19  P   UNL     1      -0.970   6.805   9.967  1.00  0.00           P  
HETATM   20  O   UNL     1      -1.263   7.544  11.240  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.928   5.536   9.669  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.094   7.689   8.619  1.00  0.00           O  
HETATM   23  C   UNL     1       1.675   7.880  11.210  1.00  0.00           C  
HETATM   24  O   UNL     1       1.274   7.081  12.321  1.00  0.00           O  
HETATM   25  C   UNL     1       3.164   8.207  11.335  1.00  0.00           C  
HETATM   26  N   UNL     1       3.493   9.589  10.982  1.00  0.00           N  
HETATM   27  C   UNL     1       3.764  10.059   9.723  1.00  0.00           C  
HETATM   28  N   UNL     1       4.027  11.349   9.718  1.00  0.00           N  
HETATM   29  C   UNL     1       3.922  11.734  11.031  1.00  0.00           C  
HETATM   30  C   UNL     1       3.590  10.654  11.834  1.00  0.00           C  
HETATM   31  N   UNL     1       3.405  10.656  13.163  1.00  0.00           N  
HETATM   32  C   UNL     1       3.587  11.898  13.662  1.00  0.00           C  
HETATM   33  N   UNL     1       3.911  13.039  13.007  1.00  0.00           N  
HETATM   34  C   UNL     1       4.083  12.962  11.665  1.00  0.00           C  
HETATM   35  N   UNL     1       4.419  14.111  10.928  1.00  0.00           N  
HETATM   36  O   UNL     1      -1.786   7.052   2.710  1.00  0.00           O  
HETATM   37  C   UNL     1      -2.189   5.546   4.490  1.00  0.00           C  
HETATM   38  O   UNL     1      -1.878   6.390   5.329  1.00  0.00           O  
HETATM   39  N   UNL     1      -2.958   4.422   4.742  1.00  0.00           N  
HETATM   40  C   UNL     1      -3.492   4.110   6.047  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.497   3.256   6.821  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.005   2.879   8.201  1.00  0.00           C  
HETATM   43  O   UNL     1      -4.098   3.231   8.634  1.00  0.00           O  
HETATM   44  N   UNL     1      -2.084   2.102   8.889  1.00  0.00           N  
HETATM   45  C   UNL     1      -2.318   1.609  10.226  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.831   2.565  11.307  1.00  0.00           C  
HETATM   47  S   UNL     1      -0.037   2.849  11.216  1.00  0.00           S  
HETATM   48  C   UNL     1       0.181   3.894  12.613  1.00  0.00           C  
HETATM   49  O   UNL     1      -0.677   4.659  13.031  1.00  0.00           O  
HETATM   50  C   UNL     1       1.524   3.739  13.226  1.00  0.00           C  
HETATM   51  C   UNL     1       1.853   4.466  14.303  1.00  0.00           C  
HETATM   52  C   UNL     1       3.181   4.373  14.982  1.00  0.00           C  
HETATM   53  C   UNL     1      -0.081   5.249   1.202  1.00  0.00           C  
HETATM   54  H   UNL     1      -1.751   7.527   3.554  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.531   5.180   2.395  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.188   3.793   3.978  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.700   5.042   6.585  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.445   3.581   5.932  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.549   3.796   6.937  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.283   2.334   6.267  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.207   1.869   8.432  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.400   1.471  10.323  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.848   0.623  10.310  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.340   3.531  11.230  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.050   2.143  12.293  1.00  0.00           H  
HETATM   66  H   UNL     1       2.229   3.037  12.794  1.00  0.00           H  
HETATM   67  H   UNL     1       1.147   5.169  14.734  1.00  0.00           H  
HETATM   68  H   UNL     1       3.676   5.349  14.966  1.00  0.00           H  
HETATM   69  H   UNL     1       3.844   3.647  14.501  1.00  0.00           H  
HETATM   70  H   UNL     1       3.045   4.073  16.025  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.874   4.800   0.594  1.00  0.00           H  
HETATM   72  H   UNL     1       0.863   4.776   0.909  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.013   6.309   0.933  1.00  0.00           H  
HETATM   74  H   UNL     1       0.599   3.094   2.654  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.159   3.033   2.505  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.404   3.348   4.080  1.00  0.00           H  
HETATM   77  H   UNL     1       0.570   5.672   4.598  1.00  0.00           H  
HETATM   78  H   UNL     1       0.771   6.850   3.285  1.00  0.00           H  
HETATM   79  H   UNL     1       3.489   7.788   2.827  1.00  0.00           H  
HETATM   80  H   UNL     1       4.230   2.885   6.965  1.00  0.00           H  
HETATM   81  H   UNL     1       4.366   5.433   8.579  1.00  0.00           H  
HETATM   82  H   UNL     1       3.498   6.820   7.871  1.00  0.00           H  
HETATM   83  H   UNL     1       2.920   5.483  10.556  1.00  0.00           H  
HETATM   84  H   UNL     1       3.538   8.075  12.355  1.00  0.00           H  
HETATM   85  H   UNL     1       3.755   9.415   8.853  1.00  0.00           H  
HETATM   86  H   UNL     1       3.458  11.996  14.735  1.00  0.00           H  
HETATM   87  H   UNL     1       5.313  14.163  10.478  1.00  0.00           H  
HETATM   88  H   UNL     1       3.803  14.901  10.939  1.00  0.00           H  
HETATM   89  H   UNL     1       1.025   8.760  11.199  1.00  0.00           H  
HETATM   90  H   UNL     1       1.584   7.530  13.127  1.00  0.00           H  
HETATM   91  H   UNL     1       1.552   7.785   9.066  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.899   5.647   9.745  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.890   8.247   8.489  1.00  0.00           H  
CONECT    1   36   55   37    2                                       
CONECT    2    1   53    3    4                                       
CONECT    3    2   74   75   76                                       
CONECT    4    2   77   78    5                                       
CONECT    5    4    6                                                 
CONECT    6    5    7    7    8                                       
CONECT    6    9                                                      
CONECT    7    6    6                                                 
CONECT    8    6   79                                                 
CONECT    9    6   10                                                 
CONECT   10    9   11   11   12                                       
CONECT   10   13                                                      
CONECT   11   10   10                                                 
CONECT   12   10   80                                                 
CONECT   13   10   14                                                 
CONECT   14   13   81   82   15                                       
CONECT   15   14   83   16   17                                       
CONECT   16   15   25                                                 
CONECT   17   15   23   91   18                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   20   21                                       
CONECT   19   22                                                      
CONECT   20   19   19                                                 
CONECT   21   19   92                                                 
CONECT   22   19   93                                                 
CONECT   23   17   25   89   24                                       
CONECT   24   23   90                                                 
CONECT   25   16   23   84   26                                       
CONECT   26   25   27   30                                            
CONECT   27   26   85   28   28                                       
CONECT   28   27   27   29                                            
CONECT   29   28   34   34   30                                       
CONECT   30   26   29   31   31                                       
CONECT   31   30   30   32                                            
CONECT   32   31   33   33   86                                       
CONECT   33   32   32   34                                            
CONECT   34   29   29   33   35                                       
CONECT   35   34   87   88                                            
CONECT   36    1   54                                                 
CONECT   37    1   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   56   40                                            
CONECT   40   39   57   58   41                                       
CONECT   41   40   59   60   42                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   61   45                                            
CONECT   45   44   62   63   46                                       
CONECT   46   45   64   65   47                                       
CONECT   47   46   48                                                 
CONECT   48   47   49   49   50                                       
CONECT   49   48   48                                                 
CONECT   50   48   66   51   51                                       
CONECT   51   50   50   67   52                                       
CONECT   52   51   68   69   70                                       
CONECT   53    2   71   72   73                                       
CONECT   54   36                                                      
CONECT   55    1                                                      
CONECT   56   39                                                      
CONECT   57   40                                                      
CONECT   58   40                                                      
CONECT   59   41                                                      
CONECT   60   41                                                      
CONECT   61   44                                                      
CONECT   62   45                                                      
CONECT   63   45                                                      
CONECT   64   46                                                      
CONECT   65   46                                                      
CONECT   66   50                                                      
CONECT   67   51                                                      
CONECT   68   52                                                      
CONECT   69   52                                                      
CONECT   70   52                                                      
CONECT   71   53                                                      
CONECT   72   53                                                      
CONECT   73   53                                                      
CONECT   74    3                                                      
CONECT   75    3                                                      
CONECT   76    3                                                      
CONECT   77    4                                                      
CONECT   78    4                                                      
CONECT   79    8                                                      
CONECT   80   12                                                      
CONECT   81   14                                                      
CONECT   82   14                                                      
CONECT   83   15                                                      
CONECT   84   25                                                      
CONECT   85   27                                                      
CONECT   86   32                                                      
CONECT   87   35                                                      
CONECT   88   35                                                      
CONECT   89   23                                                      
CONECT   90   24                                                      
CONECT   91   17                                                      
CONECT   92   21                                                      
CONECT   93   22                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
