COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.786  -1.549  -0.119  1.00  0.00           C  
HETATM    2  C   UNL     1       1.160  -2.963  -0.141  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.592  -1.004  -0.160  1.00  0.00           C  
HETATM    4  N   UNL     1       1.895  -0.852  -0.050  1.00  0.00           N  
HETATM    5  C   UNL     1       2.566  -3.004  -0.088  1.00  0.00           C  
HETATM    6  C   UNL     1       0.455  -4.175  -0.214  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.899   0.056  -1.012  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.584  -1.553   0.653  1.00  0.00           C  
HETATM    9  N   UNL     1       2.998  -1.712  -0.030  1.00  0.00           N  
HETATM   10  N   UNL     1       3.171  -4.191  -0.099  1.00  0.00           N  
HETATM   11  N   UNL     1       1.149  -5.309  -0.220  1.00  0.00           N  
HETATM   12  N   UNL     1      -0.925  -4.190  -0.273  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.185   0.561  -1.048  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.866  -1.046   0.615  1.00  0.00           C  
HETATM   15  C   UNL     1       4.399  -1.291   0.043  1.00  0.00           C  
HETATM   16  C   UNL     1       2.469  -5.302  -0.164  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.172   0.013  -0.229  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.487   1.596  -1.877  1.00  0.00           O  
HETATM   19  C   UNL     1       4.732  -0.416  -1.167  1.00  0.00           C  
HETATM   20  C   UNL     1       4.625  -0.493   1.328  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.474   0.524  -0.265  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.284   1.934  -2.570  1.00  0.00           C  
HETATM   23  C   UNL     1       6.195   0.024  -1.091  1.00  0.00           C  
HETATM   24  C   UNL     1       6.089  -0.053   1.404  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.319   0.290   0.758  1.00  0.00           C  
HETATM   26  C   UNL     1       6.422   0.823   0.194  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.726   0.703   0.659  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.916  -0.263   1.765  1.00  0.00           O  
HETATM   29  N   UNL     1       7.827   1.245   0.267  1.00  0.00           N  
HETATM   30  N   UNL     1      -7.335   1.205  -0.474  1.00  0.00           N  
HETATM   31  C   UNL     1      -7.634   0.658   1.670  1.00  0.00           C  
HETATM   32  C   UNL     1       7.948   2.103   1.452  1.00  0.00           C  
HETATM   33  C   UNL     1       8.073   2.097  -0.903  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.653   1.475  -0.187  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.686   1.414  -1.771  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.865   1.140   1.165  1.00  0.00           C  
HETATM   37  C   UNL     1       9.362   2.681   1.525  1.00  0.00           C  
HETATM   38  C   UNL     1       9.486   2.675  -0.830  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.708   1.981  -0.940  1.00  0.00           C  
HETATM   40  C   UNL     1     -10.133   1.321   1.733  1.00  0.00           C  
HETATM   41  N   UNL     1       9.608   3.533   0.355  1.00  0.00           N  
HETATM   42  C   UNL     1     -10.945   2.151  -0.359  1.00  0.00           C  
HETATM   43  C   UNL     1     -11.152   1.820   0.974  1.00  0.00           C  
HETATM   44  C   UNL     1      11.013   3.956   0.428  1.00  0.00           C  
HETATM   45  H   UNL     1      -0.132   0.482  -1.643  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.347  -2.374   1.313  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.406  -5.026  -0.168  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.413  -3.364  -0.418  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.633  -1.472   1.245  1.00  0.00           H  
HETATM   50  H   UNL     1       5.043  -2.171   0.043  1.00  0.00           H  
HETATM   51  H   UNL     1       2.993  -6.246  -0.171  1.00  0.00           H  
HETATM   52  H   UNL     1       4.571  -0.985  -2.083  1.00  0.00           H  
HETATM   53  H   UNL     1       4.088   0.463  -1.168  1.00  0.00           H  
HETATM   54  H   UNL     1       3.981   0.387   1.327  1.00  0.00           H  
HETATM   55  H   UNL     1       4.388  -1.116   2.190  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.768   1.047  -1.027  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.520   2.226  -1.850  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.937   1.071  -3.138  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.477   2.763  -3.251  1.00  0.00           H  
HETATM   60  H   UNL     1       6.840  -0.855  -1.091  1.00  0.00           H  
HETATM   61  H   UNL     1       6.433   0.648  -1.953  1.00  0.00           H  
HETATM   62  H   UNL     1       6.733  -0.932   1.404  1.00  0.00           H  
HETATM   63  H   UNL     1       6.250   0.516   2.320  1.00  0.00           H  
HETATM   64  H   UNL     1       5.778   1.702   0.194  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.449   0.314   2.677  1.00  0.00           H  
HETATM   66  H   UNL     1       7.226   2.917   1.387  1.00  0.00           H  
HETATM   67  H   UNL     1       7.750   1.514   2.348  1.00  0.00           H  
HETATM   68  H   UNL     1       7.970   1.504  -1.811  1.00  0.00           H  
HETATM   69  H   UNL     1       7.348   2.911  -0.918  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.176   2.377  -1.771  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.960   0.619  -1.945  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.437   1.400  -2.560  1.00  0.00           H  
HETATM   73  H   UNL     1       9.465   3.275   2.434  1.00  0.00           H  
HETATM   74  H   UNL     1      10.087   1.868   1.540  1.00  0.00           H  
HETATM   75  H   UNL     1       9.684   3.264  -1.726  1.00  0.00           H  
HETATM   76  H   UNL     1      10.208   1.862  -0.764  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.557   2.241  -1.977  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.303   1.067   2.769  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.762   2.544  -0.945  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.128   1.958   1.414  1.00  0.00           H  
HETATM   81  H   UNL     1      11.658   3.077   0.411  1.00  0.00           H  
HETATM   82  H   UNL     1      11.245   4.594  -0.424  1.00  0.00           H  
HETATM   83  H   UNL     1      11.178   4.509   1.353  1.00  0.00           H  
CONECT    1    2    3    4    4                                       
CONECT    2    1    5    5    6                                       
CONECT    3    1    7    7    8                                       
CONECT    4    1    1    9                                            
CONECT    5    2    2    9   10                                       
CONECT    6    2   11   11   12                                       
CONECT    7    3    3   13   45                                       
CONECT    8    3   14   14   46                                       
CONECT    9    4    5   15                                            
CONECT   10    5   16   16                                            
CONECT   11    6    6   16                                            
CONECT   12    6   47   48                                            
CONECT   13    7   17   17   18                                       
CONECT   14    8    8   17   49                                       
CONECT   15    9   19   20   50                                       
CONECT   16   10   10   11   51                                       
CONECT   17   13   13   14   21                                       
CONECT   18   13   22                                                 
CONECT   19   15   23   52   53                                       
CONECT   20   15   24   54   55                                       
CONECT   21   17   25   56                                            
CONECT   22   18   57   58   59                                       
CONECT   23   19   26   60   61                                       
CONECT   24   20   26   62   63                                       
CONECT   25   21   27   28   28                                       
CONECT   26   23   24   29   64                                       
CONECT   27   25   30   31   31                                       
CONECT   28   25   25                                                 
CONECT   29   26   32   33                                            
CONECT   30   27   34   35                                            
CONECT   31   27   27   36   65                                       
CONECT   32   29   37   66   67                                       
CONECT   33   29   38   68   69                                       
CONECT   34   30   36   36   39                                       
CONECT   35   30   70   71   72                                       
CONECT   36   31   34   34   40                                       
CONECT   37   32   41   73   74                                       
CONECT   38   33   41   75   76                                       
CONECT   39   34   42   42   77                                       
CONECT   40   36   43   43   78                                       
CONECT   41   37   38   44                                            
CONECT   42   39   39   43   79                                       
CONECT   43   40   40   42   80                                       
CONECT   44   41   81   82   83                                       
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   26                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   42                                                      
CONECT   80   43                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
CONECT   83   44                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
