COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.159  -8.070  -0.635  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.146  -7.491  -1.294  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.440  -6.216  -1.149  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.742  -5.451  -0.317  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.682  -6.020   0.408  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.406  -7.385   0.219  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.374  -8.000   0.906  1.00  0.00           N  
HETATM    8  N   UNL     1      -3.145  -5.036   1.169  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.793  -3.926   0.962  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.788  -4.130   0.053  1.00  0.00           N  
HETATM   11  C   UNL     1      -5.732  -3.124  -0.438  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.050  -3.169   0.376  1.00  0.00           C  
HETATM   13  O   UNL     1      -7.952  -4.136  -0.166  1.00  0.00           O  
HETATM   14  C   UNL     1      -7.599  -1.734   0.184  1.00  0.00           C  
HETATM   15  O   UNL     1      -8.576  -1.707  -0.859  1.00  0.00           O  
HETATM   16  P   UNL     1     -10.091  -1.212  -0.629  1.00  0.00           P  
HETATM   17  O   UNL     1     -10.700  -1.987   0.475  1.00  0.00           O  
HETATM   18  O   UNL     1     -10.092   0.352  -0.251  1.00  0.00           O  
HETATM   19  O   UNL     1     -10.940  -1.440  -1.977  1.00  0.00           O  
HETATM   20  C   UNL     1      -6.361  -0.907  -0.216  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.230  -1.793  -0.194  1.00  0.00           O  
HETATM   22  C   UNL     1      -6.151   0.231   0.785  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.074   1.061   0.344  1.00  0.00           O  
HETATM   24  P   UNL     1      -4.576   2.357   1.158  1.00  0.00           P  
HETATM   25  O   UNL     1      -4.243   1.970   2.547  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.747   3.463   1.175  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.270   2.970   0.444  1.00  0.00           O  
HETATM   28  P   UNL     1      -2.086   3.949   0.927  1.00  0.00           P  
HETATM   29  O   UNL     1      -2.649   5.021   1.777  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.004   3.107   1.771  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.372   4.603  -0.360  1.00  0.00           O  
HETATM   32  C   UNL     1       0.107   6.000  -1.665  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.351   5.598  -0.261  1.00  0.00           C  
HETATM   34  C   UNL     1       0.659   4.772  -2.392  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.081   6.565  -2.446  1.00  0.00           C  
HETATM   36  C   UNL     1       1.200   7.065  -1.559  1.00  0.00           C  
HETATM   37  O   UNL     1       0.650   8.259  -1.000  1.00  0.00           O  
HETATM   38  C   UNL     1       2.309   6.560  -0.672  1.00  0.00           C  
HETATM   39  O   UNL     1       2.502   7.074   0.410  1.00  0.00           O  
HETATM   40  N   UNL     1       3.086   5.537  -1.080  1.00  0.00           N  
HETATM   41  C   UNL     1       4.100   4.983  -0.179  1.00  0.00           C  
HETATM   42  C   UNL     1       4.836   3.840  -0.882  1.00  0.00           C  
HETATM   43  C   UNL     1       5.879   3.270   0.044  1.00  0.00           C  
HETATM   44  O   UNL     1       6.020   3.732   1.157  1.00  0.00           O  
HETATM   45  N   UNL     1       6.656   2.247  -0.364  1.00  0.00           N  
HETATM   46  C   UNL     1       7.670   1.693   0.536  1.00  0.00           C  
HETATM   47  C   UNL     1       8.406   0.551  -0.166  1.00  0.00           C  
HETATM   48  S   UNL     1       9.662  -0.136   0.948  1.00  0.00           S  
HETATM   49  O   UNL     1      11.736  -1.762   1.885  1.00  0.00           O  
HETATM   50  C   UNL     1      11.496  -2.131   0.755  1.00  0.00           C  
HETATM   51  C   UNL     1      12.260  -3.239   0.167  1.00  0.00           C  
HETATM   52  C   UNL     1      13.265  -3.871   0.909  1.00  0.00           C  
HETATM   53  C   UNL     1      13.975  -4.905   0.355  1.00  0.00           C  
HETATM   54  C   UNL     1      13.699  -5.327  -0.942  1.00  0.00           C  
HETATM   55  O   UNL     1      14.404  -6.350  -1.485  1.00  0.00           O  
HETATM   56  C   UNL     1      12.701  -4.702  -1.683  1.00  0.00           C  
HETATM   57  C   UNL     1      11.981  -3.671  -1.136  1.00  0.00           C  
HETATM   58  C   UNL     1      10.415  -1.453  -0.046  1.00  0.00           C  
HETATM   59  H   UNL     1      -5.733  -8.086  -1.979  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.194  -8.943   0.767  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.832  -7.489   1.526  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.575  -2.983   1.441  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.932  -3.273  -1.500  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.851  -3.372   1.428  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.613  -5.042  -0.150  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.026  -1.360   1.115  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.706   0.922  -0.931  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.864  -1.163  -1.911  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.495  -0.501  -1.219  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.062   0.826   0.856  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.911  -0.185   1.763  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.016   3.763   0.296  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.593   2.386   1.275  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.744   6.472   0.257  1.00  0.00           H  
HETATM   75  H   UNL     1       0.495   5.195   0.296  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.148   4.061  -2.569  1.00  0.00           H  
HETATM   77  H   UNL     1       1.088   5.078  -3.346  1.00  0.00           H  
HETATM   78  H   UNL     1       1.429   4.303  -1.780  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.436   7.474  -1.961  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.770   6.795  -3.465  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.884   5.828  -2.469  1.00  0.00           H  
HETATM   82  H   UNL     1       1.597   7.277  -2.552  1.00  0.00           H  
HETATM   83  H   UNL     1       0.277   8.144  -0.115  1.00  0.00           H  
HETATM   84  H   UNL     1       2.973   5.168  -1.970  1.00  0.00           H  
HETATM   85  H   UNL     1       4.812   5.763   0.090  1.00  0.00           H  
HETATM   86  H   UNL     1       3.617   4.604   0.722  1.00  0.00           H  
HETATM   87  H   UNL     1       4.124   3.060  -1.152  1.00  0.00           H  
HETATM   88  H   UNL     1       5.319   4.219  -1.783  1.00  0.00           H  
HETATM   89  H   UNL     1       6.544   1.878  -1.254  1.00  0.00           H  
HETATM   90  H   UNL     1       8.382   2.473   0.806  1.00  0.00           H  
HETATM   91  H   UNL     1       7.188   1.314   1.438  1.00  0.00           H  
HETATM   92  H   UNL     1       7.694  -0.229  -0.436  1.00  0.00           H  
HETATM   93  H   UNL     1       8.889   0.930  -1.067  1.00  0.00           H  
HETATM   94  H   UNL     1      13.482  -3.545   1.915  1.00  0.00           H  
HETATM   95  H   UNL     1      14.751  -5.394   0.926  1.00  0.00           H  
HETATM   96  H   UNL     1      14.016  -7.222  -1.329  1.00  0.00           H  
HETATM   97  H   UNL     1      12.490  -5.033  -2.689  1.00  0.00           H  
HETATM   98  H   UNL     1      11.204  -3.190  -1.711  1.00  0.00           H  
HETATM   99  H   UNL     1       9.652  -2.183  -0.318  1.00  0.00           H  
HETATM  100  H   UNL     1      10.847  -1.024  -0.950  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   59                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6    8                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   60   61                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   62                                       
CONECT   10    4    9   11                                            
CONECT   11   10   12   21   63                                       
CONECT   12   11   13   14   64                                       
CONECT   13   12   65                                                 
CONECT   14   12   15   20   66                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   18                                       
CONECT   16   19                                                      
CONECT   17   16   16                                                 
CONECT   18   16   67                                                 
CONECT   19   16   68                                                 
CONECT   20   14   21   22   69                                       
CONECT   21   11   20                                                 
CONECT   22   20   23   70   71                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24   72                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   73                                                 
CONECT   31   28   33                                                 
CONECT   32   33   34   35   36                                       
CONECT   33   31   32   74   75                                       
CONECT   34   32   76   77   78                                       
CONECT   35   32   79   80   81                                       
CONECT   36   32   37   38   82                                       
CONECT   37   36   83                                                 
CONECT   38   36   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   84                                            
CONECT   41   40   42   85   86                                       
CONECT   42   41   43   87   88                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   89                                            
CONECT   46   45   47   90   91                                       
CONECT   47   46   48   92   93                                       
CONECT   48   47   58                                                 
CONECT   49   50   50                                                 
CONECT   50   49   49   51   58                                       
CONECT   51   50   52   52   57                                       
CONECT   52   51   51   53   94                                       
CONECT   53   52   54   54   95                                       
CONECT   54   53   53   55   56                                       
CONECT   55   54   96                                                 
CONECT   56   54   57   57   97                                       
CONECT   57   51   56   56   98                                       
CONECT   58   48   50   99  100                                       
CONECT   59    2                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62    9                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   26                                                      
CONECT   73   30                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
CONECT   88   42                                                      
CONECT   89   45                                                      
CONECT   90   46                                                      
CONECT   91   46                                                      
CONECT   92   47                                                      
CONECT   93   47                                                      
CONECT   94   52                                                      
CONECT   95   53                                                      
CONECT   96   55                                                      
CONECT   97   56                                                      
CONECT   98   57                                                      
CONECT   99   58                                                      
CONECT  100   58                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
