COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.242   0.138  -0.275  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.876   0.311   0.967  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.209   0.577   1.011  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.959   0.686  -0.159  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.378   0.530  -1.380  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.003   0.254  -1.466  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.368   0.086  -2.708  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.034  -0.180  -2.752  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.285  -0.289  -1.582  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.866  -0.132  -0.361  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.038  -0.254   0.893  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.140  -1.681   1.434  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.403  -1.773   2.771  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.416  -0.639   2.880  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.364  -0.760   3.651  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.507  -2.652   0.435  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.243  -2.067  -0.061  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.655  -2.719  -1.106  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.161  -3.718  -1.571  1.00  0.00           O  
HETATM   20  C   UNL     1       0.634  -2.180  -1.670  1.00  0.00           C  
HETATM   21  C   UNL     1       1.462  -3.331  -2.246  1.00  0.00           C  
HETATM   22  C   UNL     1       1.923  -4.227  -1.126  1.00  0.00           C  
HETATM   23  O   UNL     1       1.529  -4.037   0.005  1.00  0.00           O  
HETATM   24  N   UNL     1       2.773  -5.242  -1.381  1.00  0.00           N  
HETATM   25  N   UNL     1       1.393  -1.517  -0.587  1.00  0.00           N  
HETATM   26  C   UNL     1       2.751  -1.586  -0.684  1.00  0.00           C  
HETATM   27  O   UNL     1       3.269  -2.182  -1.605  1.00  0.00           O  
HETATM   28  C   UNL     1       3.601  -0.917   0.360  1.00  0.00           C  
HETATM   29  C   UNL     1       5.019  -1.485   0.321  1.00  0.00           C  
HETATM   30  C   UNL     1       5.645  -1.203  -1.046  1.00  0.00           C  
HETATM   31  C   UNL     1       5.689   0.308  -1.285  1.00  0.00           C  
HETATM   32  C   UNL     1       4.267   0.871  -1.252  1.00  0.00           C  
HETATM   33  C   UNL     1       3.639   0.591   0.115  1.00  0.00           C  
HETATM   34  N   UNL     1       3.018  -1.172   1.699  1.00  0.00           N  
HETATM   35  C   UNL     1       2.636  -0.039   2.371  1.00  0.00           C  
HETATM   36  O   UNL     1       2.769   1.057   1.867  1.00  0.00           O  
HETATM   37  C   UNL     1       2.046  -0.187   3.749  1.00  0.00           C  
HETATM   38  C   UNL     1       0.623   0.374   3.760  1.00  0.00           C  
HETATM   39  C   UNL     1       0.444   1.310   2.592  1.00  0.00           C  
HETATM   40  C   UNL     1       0.518   2.677   2.784  1.00  0.00           C  
HETATM   41  C   UNL     1       0.354   3.536   1.713  1.00  0.00           C  
HETATM   42  C   UNL     1       0.210   0.802   1.328  1.00  0.00           C  
HETATM   43  C   UNL     1       0.041   1.660   0.258  1.00  0.00           C  
HETATM   44  C   UNL     1       0.115   3.027   0.450  1.00  0.00           C  
HETATM   45  C   UNL     1      -0.065   3.963  -0.717  1.00  0.00           C  
HETATM   46  P   UNL     1       1.554   4.291  -1.488  1.00  0.00           P  
HETATM   47  O   UNL     1       2.195   3.009  -1.853  1.00  0.00           O  
HETATM   48  O   UNL     1       1.347   5.184  -2.812  1.00  0.00           O  
HETATM   49  O   UNL     1       2.493   5.084  -0.447  1.00  0.00           O  
HETATM   50  H   UNL     1      -5.308   0.231   1.882  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.695   0.706   1.967  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.016   0.898  -0.096  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.971   0.617  -2.278  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.936   0.168  -3.623  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.548  -0.308  -3.708  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.228  -0.500  -1.645  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.408   0.446   1.642  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.997  -0.025   0.664  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.188  -1.941   1.579  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.872  -2.723   2.829  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.122  -1.709   3.588  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.576   0.271   2.322  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.204  -1.670   4.210  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.301  -3.602   0.928  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.189  -2.812  -0.401  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.857  -1.267   0.330  1.00  0.00           H  
HETATM   67  H   UNL     1       0.415  -1.458  -2.457  1.00  0.00           H  
HETATM   68  H   UNL     1       2.329  -2.928  -2.769  1.00  0.00           H  
HETATM   69  H   UNL     1       0.851  -3.905  -2.943  1.00  0.00           H  
HETATM   70  H   UNL     1       3.085  -5.397  -2.286  1.00  0.00           H  
HETATM   71  H   UNL     1       3.070  -5.819  -0.660  1.00  0.00           H  
HETATM   72  H   UNL     1       0.951  -1.062   0.147  1.00  0.00           H  
HETATM   73  H   UNL     1       5.620  -1.015   1.100  1.00  0.00           H  
HETATM   74  H   UNL     1       4.984  -2.562   0.489  1.00  0.00           H  
HETATM   75  H   UNL     1       6.658  -1.604  -1.072  1.00  0.00           H  
HETATM   76  H   UNL     1       5.047  -1.676  -1.824  1.00  0.00           H  
HETATM   77  H   UNL     1       6.286   0.782  -0.506  1.00  0.00           H  
HETATM   78  H   UNL     1       6.137   0.509  -2.258  1.00  0.00           H  
HETATM   79  H   UNL     1       4.297   1.947  -1.424  1.00  0.00           H  
HETATM   80  H   UNL     1       3.670   0.395  -2.030  1.00  0.00           H  
HETATM   81  H   UNL     1       2.624   0.988   0.138  1.00  0.00           H  
HETATM   82  H   UNL     1       4.234   1.069   0.893  1.00  0.00           H  
HETATM   83  H   UNL     1       2.916  -2.063   2.068  1.00  0.00           H  
HETATM   84  H   UNL     1       2.023  -1.242   4.023  1.00  0.00           H  
HETATM   85  H   UNL     1       2.658   0.360   4.467  1.00  0.00           H  
HETATM   86  H   UNL     1       0.453   0.916   4.690  1.00  0.00           H  
HETATM   87  H   UNL     1       0.705   3.074   3.771  1.00  0.00           H  
HETATM   88  H   UNL     1       0.411   4.604   1.864  1.00  0.00           H  
HETATM   89  H   UNL     1       0.152  -0.266   1.178  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.145   1.263  -0.729  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.731   3.507  -1.450  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.498   4.901  -0.368  1.00  0.00           H  
HETATM   93  H   UNL     1       2.225   5.335  -3.187  1.00  0.00           H  
HETATM   94  H   UNL     1       2.040   5.911  -0.236  1.00  0.00           H  
CONECT    1    2    6    6   10                                       
CONECT    2    1    3    3   50                                       
CONECT    3    2    2    4   51                                       
CONECT    4    3    5    5   52                                       
CONECT    5    4    4    6   53                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8    8   54                                       
CONECT    8    7    7    9   55                                       
CONECT    9    8   10   10   56                                       
CONECT   10    1    9    9   11                                       
CONECT   11   10   12   57   58                                       
CONECT   12   11   13   16   59                                       
CONECT   13   12   14   60   61                                       
CONECT   14   13   15   15   62                                       
CONECT   15   14   14   38   63                                       
CONECT   16   12   17   64   65                                       
CONECT   17   16   18   66                                            
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   25   67                                       
CONECT   21   20   22   68   69                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   70   71                                            
CONECT   25   20   26   72                                            
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   33   34                                       
CONECT   29   28   30   73   74                                       
CONECT   30   29   31   75   76                                       
CONECT   31   30   32   77   78                                       
CONECT   32   31   33   79   80                                       
CONECT   33   28   32   81   82                                       
CONECT   34   28   35   83                                            
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   38   84   85                                       
CONECT   38   15   37   39   86                                       
CONECT   39   38   40   40   42                                       
CONECT   40   39   39   41   87                                       
CONECT   41   40   44   44   88                                       
CONECT   42   39   43   43   89                                       
CONECT   43   42   42   44   90                                       
CONECT   44   41   41   43   45                                       
CONECT   45   44   46   91   92                                       
CONECT   46   45   47   47   48                                       
CONECT   46   49                                                      
CONECT   47   46   46                                                 
CONECT   48   46   93                                                 
CONECT   49   46   94                                                 
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   45                                                      
CONECT   92   45                                                      
CONECT   93   48                                                      
CONECT   94   49                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
