COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       8.481   6.421   2.177  1.00  0.00           N  
HETATM    2  C   UNL     1       8.251   5.724   1.003  1.00  0.00           C  
HETATM    3  N   UNL     1       8.413   6.310  -0.178  1.00  0.00           N  
HETATM    4  C   UNL     1       8.196   5.653  -1.303  1.00  0.00           C  
HETATM    5  N   UNL     1       7.812   4.395  -1.324  1.00  0.00           N  
HETATM    6  C   UNL     1       7.624   3.725  -0.191  1.00  0.00           C  
HETATM    7  C   UNL     1       7.847   4.378   1.033  1.00  0.00           C  
HETATM    8  N   UNL     1       7.239   2.448   0.127  1.00  0.00           N  
HETATM    9  N   UNL     1       7.594   3.481   2.016  1.00  0.00           N  
HETATM   10  C   UNL     1       7.228   2.350   1.487  1.00  0.00           C  
HETATM   11  C   UNL     1     -14.824   5.677   0.745  1.00  0.00           C  
HETATM   12  C   UNL     1     -13.826   4.625   1.233  1.00  0.00           C  
HETATM   13  O   UNL     1       7.868  -1.347  -2.673  1.00  0.00           O  
HETATM   14  S   UNL     1     -12.794   4.080  -0.155  1.00  0.00           S  
HETATM   15  N   UNL     1      -9.857   1.304   0.168  1.00  0.00           N  
HETATM   16  C   UNL     1      -8.931   0.671  -0.579  1.00  0.00           C  
HETATM   17  O   UNL     1      -8.832   0.919  -1.762  1.00  0.00           O  
HETATM   18  C   UNL     1      -8.017  -0.346   0.056  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.068  -0.910  -1.003  1.00  0.00           C  
HETATM   20  N   UNL     1      -6.180  -1.898  -0.386  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.253  -2.531  -1.132  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.215  -2.353  -2.331  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.965  -1.428   0.173  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.879  -2.812  -0.475  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.379  -2.671  -1.914  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.907  -3.687   0.320  1.00  0.00           C  
HETATM   27  P   UNL     1       3.553  -3.139   0.825  1.00  0.00           P  
HETATM   28  O   UNL     1       3.842  -4.458   0.220  1.00  0.00           O  
HETATM   29  O   UNL     1       4.030  -3.137   2.363  1.00  0.00           O  
HETATM   30  O   UNL     1       1.970  -2.851   0.753  1.00  0.00           O  
HETATM   31  O   UNL     1       4.344  -1.993   0.017  1.00  0.00           O  
HETATM   32  C   UNL     1       6.180  -0.790  -0.994  1.00  0.00           C  
HETATM   33  O   UNL     1       6.044   0.404  -0.193  1.00  0.00           O  
HETATM   34  C   UNL     1       6.900   1.383  -0.821  1.00  0.00           C  
HETATM   35  C   UNL     1       8.168   0.599  -1.224  1.00  0.00           C  
HETATM   36  O   UNL     1       8.666   1.063  -2.480  1.00  0.00           O  
HETATM   37  C   UNL     1       7.684  -0.864  -1.341  1.00  0.00           C  
HETATM   38  C   UNL     1       5.757  -2.023  -0.193  1.00  0.00           C  
HETATM   39  P   UNL     1       0.658  -3.730   1.066  1.00  0.00           P  
HETATM   40  O   UNL     1       0.863  -5.112   0.579  1.00  0.00           O  
HETATM   41  O   UNL     1       0.396  -3.754   2.655  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.613  -3.080   0.322  1.00  0.00           O  
HETATM   43  C   UNL     1      -4.264  -3.461  -0.477  1.00  0.00           C  
HETATM   44  O   UNL     1      -4.672  -3.719   0.868  1.00  0.00           O  
HETATM   45  C   UNL     1     -10.745   2.292  -0.450  1.00  0.00           C  
HETATM   46  C   UNL     1     -11.694   2.856   0.609  1.00  0.00           C  
HETATM   47  H   UNL     1       8.763   7.348   2.143  1.00  0.00           H  
HETATM   48  H   UNL     1       8.355   5.983   3.033  1.00  0.00           H  
HETATM   49  H   UNL     1       8.340   6.168  -2.242  1.00  0.00           H  
HETATM   50  H   UNL     1       6.967   1.462   2.042  1.00  0.00           H  
HETATM   51  H   UNL     1     -14.282   6.530   0.338  1.00  0.00           H  
HETATM   52  H   UNL     1     -15.457   5.245  -0.030  1.00  0.00           H  
HETATM   53  H   UNL     1     -15.444   6.004   1.579  1.00  0.00           H  
HETATM   54  H   UNL     1     -13.193   5.057   2.008  1.00  0.00           H  
HETATM   55  H   UNL     1     -14.368   3.771   1.641  1.00  0.00           H  
HETATM   56  H   UNL     1       8.794  -1.414  -2.943  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.936   1.105   1.114  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.437   0.131   0.846  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.612  -1.155   0.479  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.647  -1.387  -1.794  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.473  -0.101  -1.426  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.258  -2.097   0.561  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.321  -1.528   1.198  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.978  -0.965   0.175  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.657  -0.804  -0.393  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.028  -1.985  -2.459  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.361  -2.281  -1.908  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.391  -3.646  -2.400  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.263  -3.787   1.345  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.845  -4.672  -0.141  1.00  0.00           H  
HETATM   71  H   UNL     1       3.870  -2.302   2.823  1.00  0.00           H  
HETATM   72  H   UNL     1       5.585  -0.706  -1.903  1.00  0.00           H  
HETATM   73  H   UNL     1       6.414   1.801  -1.702  1.00  0.00           H  
HETATM   74  H   UNL     1       8.934   0.689  -0.454  1.00  0.00           H  
HETATM   75  H   UNL     1       9.462   0.604  -2.782  1.00  0.00           H  
HETATM   76  H   UNL     1       8.210  -1.498  -0.627  1.00  0.00           H  
HETATM   77  H   UNL     1       6.267  -2.023   0.770  1.00  0.00           H  
HETATM   78  H   UNL     1       6.023  -2.924  -0.746  1.00  0.00           H  
HETATM   79  H   UNL     1       0.253  -2.881   3.043  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.225  -4.398  -1.031  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.729  -2.927   1.420  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.150   3.101  -0.873  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.325   1.815  -1.241  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.115   3.332   1.400  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.290   2.047   1.032  1.00  0.00           H  
CONECT    1    2   47   48                                            
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5   49                                       
CONECT    5    4    4    6                                            
CONECT    6    7    7    5    8                                       
CONECT    7    2    9    6    6                                       
CONECT    8   10    6   34                                            
CONECT    9    7   10   10                                            
CONECT   10    9    9    8   50                                       
CONECT   11   12   51   52   53                                       
CONECT   12   11   14   54   55                                       
CONECT   13   37   56                                                 
CONECT   14   12   46                                                 
CONECT   15   45   16   57                                            
CONECT   16   17   17   15   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   58   59                                       
CONECT   19   18   20   60   61                                       
CONECT   20   19   21   62                                            
CONECT   21   20   43   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   24   63   64   65                                       
CONECT   24   25   43   26   23                                       
CONECT   25   24   66   67   68                                       
CONECT   26   24   42   69   70                                       
CONECT   27   28   28   30   29                                       
CONECT   27   31                                                      
CONECT   28   27   27                                                 
CONECT   29   27   71                                                 
CONECT   30   39   27                                                 
CONECT   31   27   38                                                 
CONECT   32   33   38   37   72                                       
CONECT   33   34   32                                                 
CONECT   34    8   33   35   73                                       
CONECT   35   34   36   37   74                                       
CONECT   36   35   75                                                 
CONECT   37   35   32   13   76                                       
CONECT   38   31   32   77   78                                       
CONECT   39   42   40   40   30                                       
CONECT   39   41                                                      
CONECT   40   39   39                                                 
CONECT   41   39   79                                                 
CONECT   42   26   39                                                 
CONECT   43   44   21   24   80                                       
CONECT   44   43   81                                                 
CONECT   45   46   15   82   83                                       
CONECT   46   14   45   84   85                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    4                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   29                                                      
CONECT   72   32                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   41                                                      
CONECT   80   43                                                      
CONECT   81   44                                                      
CONECT   82   45                                                      
CONECT   83   45                                                      
CONECT   84   46                                                      
CONECT   85   46                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
