COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.009  -6.014  -1.370  1.00  0.00           N  
HETATM    2  O   UNL     1       1.258   4.135  -1.019  1.00  0.00           O  
HETATM    3  P   UNL     1       0.993   2.790  -1.575  1.00  0.00           P  
HETATM    4  C   UNL     1       4.700  -1.531  -0.124  1.00  0.00           C  
HETATM    5  S   UNL     1     -14.864  -5.183   0.727  1.00  0.00           S  
HETATM    6  C   UNL     1       6.629  -5.584  -0.180  1.00  0.00           C  
HETATM    7  O   UNL     1       1.359   2.774  -3.143  1.00  0.00           O  
HETATM    8  P   UNL     1      -1.937   3.234  -1.619  1.00  0.00           P  
HETATM    9  C   UNL     1       5.823  -0.707   0.534  1.00  0.00           C  
HETATM   10  O   UNL     1       5.922  -1.018   1.925  1.00  0.00           O  
HETATM   11  O   UNL     1       7.705  -2.804   1.887  1.00  0.00           O  
HETATM   12  C   UNL     1     -13.883  -3.927  -0.139  1.00  0.00           C  
HETATM   13  N   UNL     1       6.050  -4.415  -0.004  1.00  0.00           N  
HETATM   14  O   UNL     1      -0.564   2.427  -1.383  1.00  0.00           O  
HETATM   15  C   UNL     1       5.381   0.763   0.337  1.00  0.00           C  
HETATM   16  O   UNL     1       5.640   1.536   1.511  1.00  0.00           O  
HETATM   17  P   UNL     1       6.608   2.822   1.519  1.00  0.00           P  
HETATM   18  O   UNL     1       8.424  -0.468   2.519  1.00  0.00           O  
HETATM   19  C   UNL     1     -12.890  -3.292   0.837  1.00  0.00           C  
HETATM   20  C   UNL     1       5.821  -3.610  -1.036  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.313   3.209  -3.184  1.00  0.00           O  
HETATM   22  C   UNL     1       3.857   0.614   0.097  1.00  0.00           C  
HETATM   23  O   UNL     1       3.755  -0.600  -0.678  1.00  0.00           O  
HETATM   24  O   UNL     1       6.980  -1.944   4.147  1.00  0.00           O  
HETATM   25  P   UNL     1       7.267  -1.585   2.604  1.00  0.00           P  
HETATM   26  N   UNL     1     -12.099  -2.277   0.137  1.00  0.00           N  
HETATM   27  C   UNL     1       6.207  -4.022  -2.322  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.768   4.636  -1.175  1.00  0.00           O  
HETATM   29  C   UNL     1       3.317   1.806  -0.696  1.00  0.00           C  
HETATM   30  O   UNL     1       1.895   1.703  -0.803  1.00  0.00           O  
HETATM   31  C   UNL     1     -11.154  -1.583   0.802  1.00  0.00           C  
HETATM   32  O   UNL     1     -10.960  -1.798   1.980  1.00  0.00           O  
HETATM   33  C   UNL     1       6.822  -5.278  -2.460  1.00  0.00           C  
HETATM   34  N   UNL     1       7.224  -5.737  -3.702  1.00  0.00           N  
HETATM   35  O   UNL     1      -3.119   2.542  -0.772  1.00  0.00           O  
HETATM   36  C   UNL     1     -10.340  -0.539   0.082  1.00  0.00           C  
HETATM   37  N   UNL     1       5.864  -3.030  -3.179  1.00  0.00           N  
HETATM   38  O   UNL     1       7.936   2.443   0.985  1.00  0.00           O  
HETATM   39  C   UNL     1      -9.347   0.096   1.058  1.00  0.00           C  
HETATM   40  C   UNL     1       5.305  -2.059  -2.517  1.00  0.00           C  
HETATM   41  O   UNL     1       5.970   3.979   0.599  1.00  0.00           O  
HETATM   42  N   UNL     1      -8.555   1.110   0.359  1.00  0.00           N  
HETATM   43  N   UNL     1       5.256  -2.369  -1.190  1.00  0.00           N  
HETATM   44  O   UNL     1       6.770   3.362   3.026  1.00  0.00           O  
HETATM   45  C   UNL     1      -7.611   1.805   1.024  1.00  0.00           C  
HETATM   46  O   UNL     1      -7.479   1.657   2.220  1.00  0.00           O  
HETATM   47  C   UNL     1      -6.718   2.765   0.281  1.00  0.00           C  
HETATM   48  O   UNL     1      -7.233   2.971  -1.036  1.00  0.00           O  
HETATM   49  C   UNL     1      -5.306   2.184   0.191  1.00  0.00           C  
HETATM   50  C   UNL     1      -4.438   3.085  -0.689  1.00  0.00           C  
HETATM   51  C   UNL     1      -4.698   2.101   1.593  1.00  0.00           C  
HETATM   52  C   UNL     1      -5.369   0.782  -0.420  1.00  0.00           C  
HETATM   53  H   UNL     1       4.213  -2.157   0.623  1.00  0.00           H  
HETATM   54  H   UNL     1     -15.679  -5.648  -0.236  1.00  0.00           H  
HETATM   55  H   UNL     1       6.801  -6.214   0.680  1.00  0.00           H  
HETATM   56  H   UNL     1       1.209   1.922  -3.573  1.00  0.00           H  
HETATM   57  H   UNL     1       6.774  -0.891   0.034  1.00  0.00           H  
HETATM   58  H   UNL     1     -13.338  -4.393  -0.960  1.00  0.00           H  
HETATM   59  H   UNL     1     -14.546  -3.157  -0.535  1.00  0.00           H  
HETATM   60  H   UNL     1       5.870   1.204  -0.532  1.00  0.00           H  
HETATM   61  H   UNL     1       8.205   0.359   2.968  1.00  0.00           H  
HETATM   62  H   UNL     1     -13.436  -2.826   1.657  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.227  -4.062   1.232  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.439   2.320  -3.544  1.00  0.00           H  
HETATM   65  H   UNL     1       3.327   0.513   1.044  1.00  0.00           H  
HETATM   66  H   UNL     1       7.748  -2.292   4.619  1.00  0.00           H  
HETATM   67  H   UNL     1     -12.254  -2.105  -0.805  1.00  0.00           H  
HETATM   68  H   UNL     1       3.576   2.732  -0.182  1.00  0.00           H  
HETATM   69  H   UNL     1       3.757   1.808  -1.693  1.00  0.00           H  
HETATM   70  H   UNL     1       7.647  -6.606  -3.784  1.00  0.00           H  
HETATM   71  H   UNL     1       7.082  -5.191  -4.491  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.795  -1.005  -0.738  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.003   0.230  -0.313  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.892   0.562   1.879  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.684  -0.674   1.454  1.00  0.00           H  
HETATM   76  H   UNL     1       4.936  -1.143  -2.953  1.00  0.00           H  
HETATM   77  H   UNL     1       5.098   4.277   0.891  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.711   1.283  -0.583  1.00  0.00           H  
HETATM   79  H   UNL     1       7.342   4.138   3.107  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.686   3.717   0.811  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.289   2.165  -1.567  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.393   4.083  -0.253  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.870   3.144  -1.687  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.272   1.398   2.197  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.665   1.761   1.522  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.725   3.086   2.059  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.802   0.841  -1.419  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.363   0.368  -0.484  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.987   0.140   0.207  1.00  0.00           H  
CONECT    1    6    6   33                                            
CONECT    2    3    3                                                 
CONECT    3    2    2   30   14                                       
CONECT    3    7                                                      
CONECT    4   23   43    9   53                                       
CONECT    5   12   54                                                 
CONECT    6    1    1   13   55                                       
CONECT    7    3   56                                                 
CONECT    8   35   14   28   28                                       
CONECT    8   21                                                      
CONECT    9    4   15   10   57                                       
CONECT   10    9   25                                                 
CONECT   11   25   25                                                 
CONECT   12    5   19   58   59                                       
CONECT   13    6   20   20                                            
CONECT   14    3    8                                                 
CONECT   15    9   22   16   60                                       
CONECT   16   15   17                                                 
CONECT   17   16   38   38   41                                       
CONECT   17   44                                                      
CONECT   18   25   61                                                 
CONECT   19   12   26   62   63                                       
CONECT   20   13   13   43   27                                       
CONECT   21    8   64                                                 
CONECT   22   15   29   23   65                                       
CONECT   23    4   22                                                 
CONECT   24   25   66                                                 
CONECT   25   10   11   11   18                                       
CONECT   25   24                                                      
CONECT   26   19   31   67                                            
CONECT   27   20   37   33   33                                       
CONECT   28    8    8                                                 
CONECT   29   22   30   68   69                                       
CONECT   30    3   29                                                 
CONECT   31   26   32   32   36                                       
CONECT   32   31   31                                                 
CONECT   33    1   27   27   34                                       
CONECT   34   33   70   71                                            
CONECT   35    8   50                                                 
CONECT   36   31   39   72   73                                       
CONECT   37   27   40   40                                            
CONECT   38   17   17                                                 
CONECT   39   36   42   74   75                                       
CONECT   40   37   37   43   76                                       
CONECT   41   17   77                                                 
CONECT   42   39   45   78                                            
CONECT   43    4   20   40                                            
CONECT   44   17   79                                                 
CONECT   45   42   47   46   46                                       
CONECT   46   45   45                                                 
CONECT   47   45   49   48   80                                       
CONECT   48   47   81                                                 
CONECT   49   47   51   52   50                                       
CONECT   50   35   49   82   83                                       
CONECT   51   49   84   85   86                                       
CONECT   52   49   87   88   89                                       
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    9                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   15                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   26                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   44                                                      
CONECT   80   47                                                      
CONECT   81   48                                                      
CONECT   82   50                                                      
CONECT   83   50                                                      
CONECT   84   51                                                      
CONECT   85   51                                                      
CONECT   86   51                                                      
CONECT   87   52                                                      
CONECT   88   52                                                      
CONECT   89   52                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
