COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.827   3.034   1.399  1.00  0.00           C  
HETATM    2  C   UNL     1     -13.207   5.092   1.307  1.00  0.00           C  
HETATM    3  C   UNL     1     -12.573   3.952  -0.802  1.00  0.00           C  
HETATM    4  P   UNL     1       1.292  -3.919   0.570  1.00  0.00           P  
HETATM    5  O   UNL     1       0.256  -3.548   1.560  1.00  0.00           O  
HETATM    6  O   UNL     1       2.026  -5.272   1.042  1.00  0.00           O  
HETATM    7  O   UNL     1       2.375  -2.733   0.456  1.00  0.00           O  
HETATM    8  O   UNL     1       0.601  -4.155  -0.865  1.00  0.00           O  
HETATM    9  P   UNL     1       3.157  -1.825   1.531  1.00  0.00           P  
HETATM   10  O   UNL     1       3.668  -2.684   2.623  1.00  0.00           O  
HETATM   11  O   UNL     1       2.151  -0.726   2.139  1.00  0.00           O  
HETATM   12  O   UNL     1       4.391  -1.084   0.811  1.00  0.00           O  
HETATM   13  C   UNL     1       5.342  -0.287   1.520  1.00  0.00           C  
HETATM   14  C   UNL     1       6.376   0.268   0.538  1.00  0.00           C  
HETATM   15  O   UNL     1       5.749   1.202  -0.357  1.00  0.00           O  
HETATM   16  C   UNL     1       7.472   1.031   1.307  1.00  0.00           C  
HETATM   17  O   UNL     1       8.751   0.435   1.079  1.00  0.00           O  
HETATM   18  C   UNL     1       7.425   2.461   0.716  1.00  0.00           C  
HETATM   19  O   UNL     1       8.743   2.981   0.533  1.00  0.00           O  
HETATM   20  C   UNL     1       6.725   2.224  -0.651  1.00  0.00           C  
HETATM   21  P   UNL     1       9.661  -0.168   2.263  1.00  0.00           P  
HETATM   22  O   UNL     1       8.880  -1.168   3.025  1.00  0.00           O  
HETATM   23  O   UNL     1      10.964  -0.871   1.632  1.00  0.00           O  
HETATM   24  O   UNL     1      10.116   1.021   3.248  1.00  0.00           O  
HETATM   25  N   UNL     1       6.068   3.449  -1.113  1.00  0.00           N  
HETATM   26  C   UNL     1       6.655   4.469  -1.819  1.00  0.00           C  
HETATM   27  N   UNL     1       7.877   4.705  -2.285  1.00  0.00           N  
HETATM   28  C   UNL     1       8.140   5.812  -2.947  1.00  0.00           C  
HETATM   29  N   UNL     1       7.222   6.733  -3.181  1.00  0.00           N  
HETATM   30  C   UNL     1       5.973   6.584  -2.754  1.00  0.00           C  
HETATM   31  C   UNL     1       5.643   5.418  -2.042  1.00  0.00           C  
HETATM   32  N   UNL     1       4.512   4.937  -1.472  1.00  0.00           N  
HETATM   33  C   UNL     1       4.759   3.782  -0.927  1.00  0.00           C  
HETATM   34  N   UNL     1       5.019   7.554  -3.004  1.00  0.00           N  
HETATM   35  C   UNL     1      -0.892  -5.050  -2.541  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.477  -5.070  -1.069  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.342  -3.639  -2.924  1.00  0.00           C  
HETATM   38  C   UNL     1       0.297  -5.460  -3.412  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.047  -6.030  -2.759  1.00  0.00           C  
HETATM   40  O   UNL     1      -1.589  -7.364  -2.530  1.00  0.00           O  
HETATM   41  C   UNL     1      -3.164  -5.711  -1.800  1.00  0.00           C  
HETATM   42  O   UNL     1      -3.434  -6.483  -0.905  1.00  0.00           O  
HETATM   43  N   UNL     1      -3.864  -4.567  -1.938  1.00  0.00           N  
HETATM   44  C   UNL     1      -4.886  -4.210  -0.950  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.525  -2.875  -1.338  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.576  -2.508  -0.322  1.00  0.00           C  
HETATM   47  O   UNL     1      -6.792  -3.241   0.620  1.00  0.00           O  
HETATM   48  N   UNL     1      -7.276  -1.364  -0.460  1.00  0.00           N  
HETATM   49  C   UNL     1      -8.297  -1.007   0.528  1.00  0.00           C  
HETATM   50  C   UNL     1      -8.937   0.328   0.140  1.00  0.00           C  
HETATM   51  S   UNL     1     -10.198   0.769   1.361  1.00  0.00           S  
HETATM   52  C   UNL     1     -10.738   2.256   0.706  1.00  0.00           C  
HETATM   53  O   UNL     1     -10.244   2.684  -0.316  1.00  0.00           O  
HETATM   54  C   UNL     1     -12.118   4.314   0.614  1.00  0.00           C  
HETATM   55  O   UNL     1     -10.934   5.111   0.545  1.00  0.00           O  
HETATM   56  O   UNL     1     -13.999   4.520   2.018  1.00  0.00           O  
HETATM   57  O   UNL     1     -13.297   6.420   1.135  1.00  0.00           O  
HETATM   58  H   UNL     1     -12.730   2.426   1.452  1.00  0.00           H  
HETATM   59  H   UNL     1     -11.503   3.292   2.408  1.00  0.00           H  
HETATM   60  H   UNL     1     -12.780   4.864  -1.361  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.785   3.389  -1.303  1.00  0.00           H  
HETATM   62  H   UNL     1     -13.476   3.344  -0.749  1.00  0.00           H  
HETATM   63  H   UNL     1       2.718  -5.575   0.439  1.00  0.00           H  
HETATM   64  H   UNL     1       1.777  -0.126   1.479  1.00  0.00           H  
HETATM   65  H   UNL     1       4.829   0.539   2.012  1.00  0.00           H  
HETATM   66  H   UNL     1       5.844  -0.900   2.268  1.00  0.00           H  
HETATM   67  H   UNL     1       6.822  -0.548  -0.030  1.00  0.00           H  
HETATM   68  H   UNL     1       7.246   1.051   2.374  1.00  0.00           H  
HETATM   69  H   UNL     1       6.832   3.123   1.347  1.00  0.00           H  
HETATM   70  H   UNL     1       8.766   3.875   0.164  1.00  0.00           H  
HETATM   71  H   UNL     1       7.441   1.868  -1.392  1.00  0.00           H  
HETATM   72  H   UNL     1      11.560  -1.257   2.289  1.00  0.00           H  
HETATM   73  H   UNL     1      10.633   1.714   2.815  1.00  0.00           H  
HETATM   74  H   UNL     1       9.143   5.974  -3.312  1.00  0.00           H  
HETATM   75  H   UNL     1       4.033   3.174  -0.407  1.00  0.00           H  
HETATM   76  H   UNL     1       5.259   8.355  -3.497  1.00  0.00           H  
HETATM   77  H   UNL     1       4.110   7.434  -2.687  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.156  -6.076  -0.796  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.324  -4.778  -0.448  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.490  -2.961  -2.878  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.745  -3.648  -3.937  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.112  -3.302  -2.230  1.00  0.00           H  
HETATM   83  H   UNL     1       0.579  -6.488  -3.181  1.00  0.00           H  
HETATM   84  H   UNL     1       0.019  -5.387  -4.464  1.00  0.00           H  
HETATM   85  H   UNL     1       1.140  -4.799  -3.212  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.410  -5.942  -3.783  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.251  -7.516  -1.636  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.692  -3.980  -2.691  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.651  -4.985  -0.923  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.424  -4.119   0.033  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.760  -2.100  -1.366  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.987  -2.966  -2.321  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.103  -0.777  -1.213  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.062  -1.782   0.556  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.835  -0.916   1.512  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.171   1.103   0.113  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.398   0.237  -0.843  1.00  0.00           H  
HETATM   98  H   UNL     1     -10.589   5.378   1.408  1.00  0.00           H  
HETATM   99  H   UNL     1     -14.012   6.876   1.600  1.00  0.00           H  
CONECT    1   54   52   58   59                                       
CONECT    2   56   56   54   57                                       
CONECT    3   54   60   61   62                                       
CONECT    4    8    5    5    7                                       
CONECT    4    6                                                      
CONECT    5    4    4                                                 
CONECT    6    4   63                                                 
CONECT    7    4    9                                                 
CONECT    8   36    4                                                 
CONECT    9    7   12   10   10                                       
CONECT    9   11                                                      
CONECT   10    9    9                                                 
CONECT   11    9   64                                                 
CONECT   12   13    9                                                 
CONECT   13   14   12   65   66                                       
CONECT   14   15   16   13   67                                       
CONECT   15   20   14                                                 
CONECT   16   18   17   14   68                                       
CONECT   17   16   21                                                 
CONECT   18   19   20   16   69                                       
CONECT   19   18   70                                                 
CONECT   20   25   18   15   71                                       
CONECT   21   17   22   22   23                                       
CONECT   21   24                                                      
CONECT   22   21   21                                                 
CONECT   23   21   72                                                 
CONECT   24   21   73                                                 
CONECT   25   26   33   20                                            
CONECT   26   27   31   31   25                                       
CONECT   27   28   28   26                                            
CONECT   28   29   27   27   74                                       
CONECT   29   28   30   30                                            
CONECT   30   29   29   34   31                                       
CONECT   31   30   26   26   32                                       
CONECT   32   31   33   33                                            
CONECT   33   32   32   25   75                                       
CONECT   34   30   76   77                                            
CONECT   35   39   37   38   36                                       
CONECT   36   35    8   78   79                                       
CONECT   37   35   80   81   82                                       
CONECT   38   35   83   84   85                                       
CONECT   39   41   40   35   86                                       
CONECT   40   39   87                                                 
CONECT   41   42   42   43   39                                       
CONECT   42   41   41                                                 
CONECT   43   44   41   88                                            
CONECT   44   45   43   89   90                                       
CONECT   45   46   44   91   92                                       
CONECT   46   47   47   48   45                                       
CONECT   47   46   46                                                 
CONECT   48   49   46   93                                            
CONECT   49   50   48   94   95                                       
CONECT   50   49   51   96   97                                       
CONECT   51   52   50                                                 
CONECT   52   53   53    1   51                                       
CONECT   53   52   52                                                 
CONECT   54   55    3    2    1                                       
CONECT   55   54   98                                                 
CONECT   56    2    2                                                 
CONECT   57    2   99                                                 
CONECT   58    1                                                      
CONECT   59    1                                                      
CONECT   60    3                                                      
CONECT   61    3                                                      
CONECT   62    3                                                      
CONECT   63    6                                                      
CONECT   64   11                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   16                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   28                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   44                                                      
CONECT   91   45                                                      
CONECT   92   45                                                      
CONECT   93   48                                                      
CONECT   94   49                                                      
CONECT   95   49                                                      
CONECT   96   50                                                      
CONECT   97   50                                                      
CONECT   98   55                                                      
CONECT   99   57                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
