COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.511  -2.734   0.930  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.838  -3.899   1.236  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.519  -4.060   0.852  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.867  -3.055   0.159  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.530  -1.886  -0.152  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.859  -1.718   0.232  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.577  -0.464  -0.099  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.828  -0.510  -0.707  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.460   0.700  -0.997  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.779   0.752  -1.636  1.00  0.00           C  
HETATM   11  O   UNL     1      -9.361  -0.276  -1.931  1.00  0.00           O  
HETATM   12  N   UNL     1      -9.339   1.951  -1.892  1.00  0.00           N  
HETATM   13  C   UNL     1      -8.719   3.124  -1.577  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.511   3.168  -0.991  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.818   1.919  -0.670  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.624   1.917  -0.090  1.00  0.00           N  
HETATM   17  C   UNL     1      -5.001   0.786   0.202  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.669   0.837   0.849  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.771   1.853   0.524  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.532   1.895   1.130  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.310  -0.129   1.789  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.071  -0.074   2.392  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.180   0.931   2.058  1.00  0.00           C  
HETATM   24  C   UNL     1       0.172   0.985   2.720  1.00  0.00           C  
HETATM   25  N   UNL     1       1.136   0.205   1.932  1.00  0.00           N  
HETATM   26  C   UNL     1       2.399   0.037   2.661  1.00  0.00           C  
HETATM   27  C   UNL     1       3.322  -0.899   1.876  1.00  0.00           C  
HETATM   28  C   UNL     1       1.360   0.820   0.617  1.00  0.00           C  
HETATM   29  C   UNL     1       2.251  -0.092  -0.229  1.00  0.00           C  
HETATM   30  C   UNL     1       3.586  -0.303   0.491  1.00  0.00           C  
HETATM   31  N   UNL     1       4.422  -1.222  -0.286  1.00  0.00           N  
HETATM   32  C   UNL     1       5.677  -0.931  -0.816  1.00  0.00           C  
HETATM   33  C   UNL     1       6.478   0.199  -0.796  1.00  0.00           C  
HETATM   34  C   UNL     1       4.110  -2.492  -0.603  1.00  0.00           C  
HETATM   35  O   UNL     1       3.082  -3.061  -0.288  1.00  0.00           O  
HETATM   36  N   UNL     1       5.108  -3.038  -1.323  1.00  0.00           N  
HETATM   37  C   UNL     1       6.112  -2.082  -1.477  1.00  0.00           C  
HETATM   38  C   UNL     1       7.344  -2.092  -2.113  1.00  0.00           C  
HETATM   39  C   UNL     1       8.139  -0.964  -2.093  1.00  0.00           C  
HETATM   40  C   UNL     1       7.710   0.182  -1.432  1.00  0.00           C  
HETATM   41  N   UNL     1       8.521   1.324  -1.416  1.00  0.00           N  
HETATM   42  C   UNL     1       8.518   2.138  -0.341  1.00  0.00           C  
HETATM   43  O   UNL     1       7.887   1.833   0.649  1.00  0.00           O  
HETATM   44  C   UNL     1       9.297   3.428  -0.370  1.00  0.00           C  
HETATM   45  C   UNL     1       9.126   4.157   0.964  1.00  0.00           C  
HETATM   46  H   UNL     1      -6.542  -2.611   1.227  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.342  -4.687   1.776  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.996  -4.973   1.094  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.837  -3.186  -0.137  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.019  -1.102  -0.692  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.296  -1.454  -0.946  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.219   4.053  -1.807  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.055   4.119  -0.757  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.045   2.606  -0.200  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.836   2.681   0.879  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.002  -0.919   2.044  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.790  -0.824   3.117  1.00  0.00           H  
HETATM   58  H   UNL     1       0.506   2.021   2.780  1.00  0.00           H  
HETATM   59  H   UNL     1       0.102   0.568   3.724  1.00  0.00           H  
HETATM   60  H   UNL     1       2.882   1.007   2.780  1.00  0.00           H  
HETATM   61  H   UNL     1       2.197  -0.392   3.643  1.00  0.00           H  
HETATM   62  H   UNL     1       4.265  -1.011   2.410  1.00  0.00           H  
HETATM   63  H   UNL     1       2.846  -1.873   1.769  1.00  0.00           H  
HETATM   64  H   UNL     1       0.403   0.960   0.114  1.00  0.00           H  
HETATM   65  H   UNL     1       1.847   1.786   0.746  1.00  0.00           H  
HETATM   66  H   UNL     1       1.758  -1.054  -0.370  1.00  0.00           H  
HETATM   67  H   UNL     1       2.430   0.371  -1.199  1.00  0.00           H  
HETATM   68  H   UNL     1       4.097   0.654   0.598  1.00  0.00           H  
HETATM   69  H   UNL     1       6.144   1.091  -0.286  1.00  0.00           H  
HETATM   70  H   UNL     1       5.127  -3.943  -1.673  1.00  0.00           H  
HETATM   71  H   UNL     1       7.682  -2.982  -2.623  1.00  0.00           H  
HETATM   72  H   UNL     1       9.098  -0.972  -2.589  1.00  0.00           H  
HETATM   73  H   UNL     1       9.085   1.530  -2.178  1.00  0.00           H  
HETATM   74  H   UNL     1      10.353   3.210  -0.533  1.00  0.00           H  
HETATM   75  H   UNL     1       8.928   4.058  -1.179  1.00  0.00           H  
HETATM   76  H   UNL     1       8.071   4.374   1.126  1.00  0.00           H  
HETATM   77  H   UNL     1       9.496   3.527   1.772  1.00  0.00           H  
HETATM   78  H   UNL     1       9.690   5.090   0.942  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.212   1.980  -2.315  1.00  0.00           H  
CONECT    1    2    2    6   46                                       
CONECT    2    1    1    3   47                                       
CONECT    3    2    4    4   48                                       
CONECT    4    3    3    5   49                                       
CONECT    5    6    6    4   50                                       
CONECT    6    1    7    5    5                                       
CONECT    7   17    6    8    8                                       
CONECT    8    7    7    9   51                                       
CONECT    9   15   15    8   10                                       
CONECT   10    9   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   13   10   79                                            
CONECT   13   14   14   12   52                                       
CONECT   14   15   13   13   53                                       
CONECT   15   16   14    9    9                                       
CONECT   16   17   17   15                                            
CONECT   17   18   16   16    7                                       
CONECT   18   21   21   19   17                                       
CONECT   19   20   20   18   54                                       
CONECT   20   23   19   19   55                                       
CONECT   21   22   18   18   56                                       
CONECT   22   23   23   21   57                                       
CONECT   23   24   22   22   20                                       
CONECT   24   25   23   58   59                                       
CONECT   25   28   26   24                                            
CONECT   26   27   25   60   61                                       
CONECT   27   30   26   62   63                                       
CONECT   28   29   25   64   65                                       
CONECT   29   30   28   66   67                                       
CONECT   30   31   29   27   68                                       
CONECT   31   32   34   30                                            
CONECT   32   37   37   33   31                                       
CONECT   33   40   40   32   69                                       
CONECT   34   36   31   35   35                                       
CONECT   35   34   34                                                 
CONECT   36   37   34   70                                            
CONECT   37   38   36   32   32                                       
CONECT   38   39   39   37   71                                       
CONECT   39   38   38   40   72                                       
CONECT   40   39   41   33   33                                       
CONECT   41   40   42   73                                            
CONECT   42   43   43   41   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   45   74   75                                       
CONECT   45   44   76   77   78                                       
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    8                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   33                                                      
CONECT   70   36                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   41                                                      
CONECT   74   44                                                      
CONECT   75   44                                                      
CONECT   76   45                                                      
CONECT   77   45                                                      
CONECT   78   45                                                      
CONECT   79   12                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
