COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       4.618   3.212  -0.039  1.00  0.00           P  
HETATM    2  O   UNL     1       5.284   3.590  -1.305  1.00  0.00           O  
HETATM    3  O   UNL     1       4.423   4.522   0.876  1.00  0.00           O  
HETATM    4  O   UNL     1       5.525   2.139   0.746  1.00  0.00           O  
HETATM    5  C   UNL     1       6.894   2.375   1.083  1.00  0.00           C  
HETATM    6  C   UNL     1       7.455   1.158   1.821  1.00  0.00           C  
HETATM    7  O   UNL     1       7.507   0.029   0.933  1.00  0.00           O  
HETATM    8  C   UNL     1       8.897   1.444   2.283  1.00  0.00           C  
HETATM    9  O   UNL     1       8.995   1.350   3.705  1.00  0.00           O  
HETATM   10  C   UNL     1       9.739   0.335   1.607  1.00  0.00           C  
HETATM   11  O   UNL     1      10.731  -0.170   2.504  1.00  0.00           O  
HETATM   12  C   UNL     1       8.669  -0.744   1.301  1.00  0.00           C  
HETATM   13  N   UNL     1       9.097  -1.595   0.188  1.00  0.00           N  
HETATM   14  C   UNL     1       8.839  -1.384  -1.134  1.00  0.00           C  
HETATM   15  N   UNL     1       9.369  -2.335  -1.847  1.00  0.00           N  
HETATM   16  C   UNL     1      10.000  -3.213  -1.031  1.00  0.00           C  
HETATM   17  C   UNL     1      10.727  -4.398  -1.230  1.00  0.00           C  
HETATM   18  N   UNL     1      10.924  -4.904  -2.503  1.00  0.00           N  
HETATM   19  N   UNL     1      11.222  -5.023  -0.166  1.00  0.00           N  
HETATM   20  C   UNL     1      11.040  -4.548   1.052  1.00  0.00           C  
HETATM   21  N   UNL     1      10.365  -3.441   1.286  1.00  0.00           N  
HETATM   22  C   UNL     1       9.838  -2.746   0.284  1.00  0.00           C  
HETATM   23  N   UNL     1      -7.406   2.462  -0.114  1.00  0.00           N  
HETATM   24  C   UNL     1      -8.235   3.100   0.733  1.00  0.00           C  
HETATM   25  O   UNL     1      -8.274   4.315   0.728  1.00  0.00           O  
HETATM   26  N   UNL     1      -9.020   2.417   1.586  1.00  0.00           N  
HETATM   27  C   UNL     1      -8.996   1.069   1.611  1.00  0.00           C  
HETATM   28  O   UNL     1      -9.710   0.454   2.386  1.00  0.00           O  
HETATM   29  C   UNL     1      -8.142   0.380   0.737  1.00  0.00           C  
HETATM   30  N   UNL     1      -8.096  -1.037   0.739  1.00  0.00           N  
HETATM   31  C   UNL     1      -7.456  -1.691  -0.325  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.615  -3.051  -0.520  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.973  -3.674  -1.577  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.145  -5.156  -1.792  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.177  -2.942  -2.436  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.483  -3.628  -3.584  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.015  -1.579  -2.247  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.653  -0.950  -1.194  1.00  0.00           C  
HETATM   39  N   UNL     1      -6.500   0.431  -0.986  1.00  0.00           N  
HETATM   40  C   UNL     1      -7.348   1.088  -0.122  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.444   1.168  -1.684  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.135   1.047  -0.902  1.00  0.00           C  
HETATM   43  O   UNL     1      -4.309   1.598   0.405  1.00  0.00           O  
HETATM   44  C   UNL     1      -3.030   1.811  -1.635  1.00  0.00           C  
HETATM   45  O   UNL     1      -2.857   1.260  -2.942  1.00  0.00           O  
HETATM   46  C   UNL     1      -1.721   1.691  -0.852  1.00  0.00           C  
HETATM   47  O   UNL     1      -1.895   2.241   0.455  1.00  0.00           O  
HETATM   48  C   UNL     1      -0.617   2.455  -1.585  1.00  0.00           C  
HETATM   49  O   UNL     1       0.630   2.246  -0.918  1.00  0.00           O  
HETATM   50  P   UNL     1       2.012   2.903  -1.418  1.00  0.00           P  
HETATM   51  O   UNL     1       1.852   4.371  -1.521  1.00  0.00           O  
HETATM   52  O   UNL     1       2.401   2.303  -2.860  1.00  0.00           O  
HETATM   53  O   UNL     1       3.180   2.564  -0.362  1.00  0.00           O  
HETATM   54  C   UNL     1     -10.228  -3.844   1.967  1.00  0.00           C  
HETATM   55  C   UNL     1     -10.023  -2.458   1.368  1.00  0.00           C  
HETATM   56  C   UNL     1      -8.705  -1.803   1.829  1.00  0.00           C  
HETATM   57  C   UNL     1      -9.069  -4.267   2.893  1.00  0.00           C  
HETATM   58  S   UNL     1      -7.666  -3.257   2.265  1.00  0.00           S  
HETATM   59  H   UNL     1       3.991   4.349   1.724  1.00  0.00           H  
HETATM   60  H   UNL     1       7.468   2.544   0.172  1.00  0.00           H  
HETATM   61  H   UNL     1       6.964   3.253   1.724  1.00  0.00           H  
HETATM   62  H   UNL     1       6.827   0.925   2.681  1.00  0.00           H  
HETATM   63  H   UNL     1       9.218   2.429   1.944  1.00  0.00           H  
HETATM   64  H   UNL     1       9.881   1.521   4.051  1.00  0.00           H  
HETATM   65  H   UNL     1      10.198   0.700   0.688  1.00  0.00           H  
HETATM   66  H   UNL     1      11.371   0.493   2.795  1.00  0.00           H  
HETATM   67  H   UNL     1       8.465  -1.345   2.188  1.00  0.00           H  
HETATM   68  H   UNL     1       8.276  -0.552  -1.530  1.00  0.00           H  
HETATM   69  H   UNL     1      10.558  -4.439  -3.271  1.00  0.00           H  
HETATM   70  H   UNL     1      11.428  -5.723  -2.627  1.00  0.00           H  
HETATM   71  H   UNL     1      11.459  -5.087   1.889  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.851   2.973  -0.724  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.609   2.899   2.187  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.237  -3.625   0.152  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.000  -5.332  -2.444  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.246  -5.563  -2.254  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.313  -5.645  -0.832  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.130  -3.613  -4.462  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.553  -3.107  -3.810  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.264  -4.661  -3.312  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.391  -1.010  -2.920  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.310   0.752  -2.683  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.725   2.218  -1.763  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.857  -0.004  -0.819  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.485   2.549   0.411  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.309   2.862  -1.717  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.608   0.326  -2.945  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.443   0.640  -0.770  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.144   3.176   0.458  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.545   2.094  -2.611  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.853   3.519  -1.590  1.00  0.00           H  
HETATM   92  H   UNL     1       2.523   1.343  -2.867  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.156  -3.847   2.539  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.314  -4.568   1.157  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.015  -2.541   0.282  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.856  -1.820   1.664  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.872  -1.168   2.699  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.292  -4.017   3.930  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.858  -5.331   2.787  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1   53                                                      
CONECT    2    1    1                                                 
CONECT    3    1   59                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6   60   61                                       
CONECT    6    5    7    8   62                                       
CONECT    7    6   12                                                 
CONECT    8    6    9   10   63                                       
CONECT    9    8   64                                                 
CONECT   10    8   11   12   65                                       
CONECT   11   10   66                                                 
CONECT   12    7   10   13   67                                       
CONECT   13   12   14   22                                            
CONECT   14   13   15   15   68                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   17   22                                       
CONECT   17   16   16   18   19                                       
CONECT   18   17   69   70                                            
CONECT   19   17   20   20                                            
CONECT   20   19   19   21   71                                       
CONECT   21   20   22   22                                            
CONECT   22   13   16   21   21                                       
CONECT   23   24   40   72                                            
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   73                                            
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   40   40                                       
CONECT   30   29   31   56                                            
CONECT   31   30   32   32   38                                       
CONECT   32   31   31   33   74                                       
CONECT   33   32   34   35   35                                       
CONECT   34   33   75   76   77                                       
CONECT   35   33   33   36   37                                       
CONECT   36   35   78   79   80                                       
CONECT   37   35   38   38   81                                       
CONECT   38   31   37   37   39                                       
CONECT   39   38   40   41                                            
CONECT   40   23   29   29   39                                       
CONECT   41   39   42   82   83                                       
CONECT   42   41   43   44   84                                       
CONECT   43   42   85                                                 
CONECT   44   42   45   46   86                                       
CONECT   45   44   87                                                 
CONECT   46   44   47   48   88                                       
CONECT   47   46   89                                                 
CONECT   48   46   49   90   91                                       
CONECT   49   48   50                                                 
CONECT   50   49   51   51   52                                       
CONECT   50   53                                                      
CONECT   51   50   50                                                 
CONECT   52   50   92                                                 
CONECT   53    1   50                                                 
CONECT   54   55   57   93   94                                       
CONECT   55   54   56   95   96                                       
CONECT   56   55   58   30   97                                       
CONECT   57   54   58   98   99                                       
CONECT   58   56   57                                                 
CONECT   59    3                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   14                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   20                                                      
CONECT   72   23                                                      
CONECT   73   26                                                      
CONECT   74   32                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   45                                                      
CONECT   88   46                                                      
CONECT   89   47                                                      
CONECT   90   48                                                      
CONECT   91   48                                                      
CONECT   92   52                                                      
CONECT   93   54                                                      
CONECT   94   54                                                      
CONECT   95   55                                                      
CONECT   96   55                                                      
CONECT   97   56                                                      
CONECT   98   57                                                      
CONECT   99   57                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
