COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.978   3.991  -0.734  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.863   2.917   0.201  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.962   1.891  -0.019  1.00  0.00           C  
HETATM    4  O   UNL     1      -9.154   2.195  -0.716  1.00  0.00           O  
HETATM    5  C   UNL     1      -9.528   0.940  -1.346  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.529   0.186  -0.466  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.804  -1.181  -1.095  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.533  -1.894  -1.454  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.574  -3.295  -1.645  1.00  0.00           C  
HETATM   10  O   UNL     1      -8.558  -3.900  -1.937  1.00  0.00           O  
HETATM   11  N   UNL     1     -10.738  -3.960  -1.505  1.00  0.00           N  
HETATM   12  C   UNL     1      -8.353  -1.257  -1.601  1.00  0.00           C  
HETATM   13  N   UNL     1      -8.300   0.085  -1.390  1.00  0.00           N  
HETATM   14  C   UNL     1      -7.245   0.998  -1.108  1.00  0.00           C  
HETATM   15  O   UNL     1      -6.005   0.768  -0.504  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.571   2.089  -0.063  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.752   1.970   1.224  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.516   1.311   0.943  1.00  0.00           O  
HETATM   19  P   UNL     1      -2.404   1.015   2.069  1.00  0.00           P  
HETATM   20  O   UNL     1      -3.020   0.259   3.183  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.819   2.408   2.625  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.208   0.149   1.429  1.00  0.00           O  
HETATM   23  P   UNL     1      -0.056  -0.792   2.043  1.00  0.00           P  
HETATM   24  O   UNL     1       0.479  -0.175   3.277  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.671  -2.239   2.390  1.00  0.00           O  
HETATM   26  O   UNL     1       1.132  -0.958   0.968  1.00  0.00           O  
HETATM   27  C   UNL     1       2.349  -1.651   1.253  1.00  0.00           C  
HETATM   28  C   UNL     1       3.253  -1.621   0.019  1.00  0.00           C  
HETATM   29  O   UNL     1       3.676  -0.273  -0.245  1.00  0.00           O  
HETATM   30  C   UNL     1       4.522  -2.456   0.280  1.00  0.00           C  
HETATM   31  O   UNL     1       4.619  -3.525  -0.664  1.00  0.00           O  
HETATM   32  C   UNL     1       5.684  -1.452   0.082  1.00  0.00           C  
HETATM   33  O   UNL     1       6.768  -2.060  -0.623  1.00  0.00           O  
HETATM   34  P   UNL     1       8.257  -2.166  -0.019  1.00  0.00           P  
HETATM   35  O   UNL     1       8.207  -2.838   1.299  1.00  0.00           O  
HETATM   36  O   UNL     1       9.183  -3.020  -1.021  1.00  0.00           O  
HETATM   37  O   UNL     1       8.873  -0.689   0.154  1.00  0.00           O  
HETATM   38  C   UNL     1       5.016  -0.347  -0.775  1.00  0.00           C  
HETATM   39  N   UNL     1       5.712   0.931  -0.603  1.00  0.00           N  
HETATM   40  C   UNL     1       5.423   1.887   0.325  1.00  0.00           C  
HETATM   41  N   UNL     1       6.239   2.892   0.196  1.00  0.00           N  
HETATM   42  C   UNL     1       7.101   2.645  -0.820  1.00  0.00           C  
HETATM   43  C   UNL     1       6.777   1.382  -1.340  1.00  0.00           C  
HETATM   44  N   UNL     1       7.488   0.899  -2.354  1.00  0.00           N  
HETATM   45  C   UNL     1       8.484   1.591  -2.864  1.00  0.00           C  
HETATM   46  N   UNL     1       8.829   2.781  -2.407  1.00  0.00           N  
HETATM   47  C   UNL     1       8.171   3.348  -1.401  1.00  0.00           C  
HETATM   48  N   UNL     1       8.540   4.595  -0.927  1.00  0.00           N  
HETATM   49  H   UNL     1      -6.299   4.673  -0.635  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.884   3.292   1.224  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.171   1.337   0.896  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.934   1.110  -2.343  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.110   0.052   0.532  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.458   0.752  -0.402  1.00  0.00           H  
HETATM   55  H   UNL     1     -11.366  -1.791  -0.389  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.400  -1.043  -1.997  1.00  0.00           H  
HETATM   57  H   UNL     1     -11.547  -3.479  -1.273  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.766  -4.921  -1.636  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.465  -1.804  -1.881  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.080   1.621  -1.987  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.975   2.566  -0.842  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.552   2.966   1.620  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.313   1.393   1.959  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.400   2.957   1.948  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.041  -2.702   1.626  1.00  0.00           H  
HETATM   66  H   UNL     1       2.856  -1.166   2.087  1.00  0.00           H  
HETATM   67  H   UNL     1       2.125  -2.685   1.515  1.00  0.00           H  
HETATM   68  H   UNL     1       2.717  -2.017  -0.843  1.00  0.00           H  
HETATM   69  H   UNL     1       4.520  -2.845   1.298  1.00  0.00           H  
HETATM   70  H   UNL     1       3.885  -4.153  -0.623  1.00  0.00           H  
HETATM   71  H   UNL     1       6.019  -1.053   1.039  1.00  0.00           H  
HETATM   72  H   UNL     1      10.096  -3.125  -0.720  1.00  0.00           H  
HETATM   73  H   UNL     1       8.935  -0.190  -0.672  1.00  0.00           H  
HETATM   74  H   UNL     1       4.997  -0.636  -1.826  1.00  0.00           H  
HETATM   75  H   UNL     1       4.633   1.821   1.058  1.00  0.00           H  
HETATM   76  H   UNL     1       9.042   1.169  -3.687  1.00  0.00           H  
HETATM   77  H   UNL     1       8.058   4.994  -0.185  1.00  0.00           H  
HETATM   78  H   UNL     1       9.280   5.070  -1.337  1.00  0.00           H  
CONECT    1    2   49                                                 
CONECT    2    1    3   16   50                                       
CONECT    3    2    4   14   51                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   13   52                                       
CONECT    6    5    7   53   54                                       
CONECT    7    6    8   55   56                                       
CONECT    8    7    9   12   12                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   57   58                                            
CONECT   12    8    8   13   59                                       
CONECT   13    5   12   14                                            
CONECT   14    3   13   15   60                                       
CONECT   15   14   16                                                 
CONECT   16    2   15   17   61                                       
CONECT   17   16   18   62   63                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   20   21                                       
CONECT   19   22                                                      
CONECT   20   19   19                                                 
CONECT   21   19   64                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24   24   25                                       
CONECT   23   26                                                      
CONECT   24   23   23                                                 
CONECT   25   23   65                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   66   67                                       
CONECT   28   27   29   30   68                                       
CONECT   29   28   38                                                 
CONECT   30   28   31   32   69                                       
CONECT   31   30   70                                                 
CONECT   32   30   33   38   71                                       
CONECT   33   32   34                                                 
CONECT   34   33   35   35   36                                       
CONECT   34   37                                                      
CONECT   35   34   34                                                 
CONECT   36   34   72                                                 
CONECT   37   34   73                                                 
CONECT   38   29   32   39   74                                       
CONECT   39   38   40   43                                            
CONECT   40   39   41   41   75                                       
CONECT   41   40   40   42                                            
CONECT   42   41   43   43   47                                       
CONECT   43   39   42   42   44                                       
CONECT   44   43   45   45                                            
CONECT   45   44   44   46   76                                       
CONECT   46   45   47   47                                            
CONECT   47   42   46   46   48                                       
CONECT   48   47   77   78                                            
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   14                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   21                                                      
CONECT   65   25                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   40                                                      
CONECT   76   45                                                      
CONECT   77   48                                                      
CONECT   78   48                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
