COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.313   0.692  -1.229  1.00  0.00           N  
HETATM    2  C   UNL     1       7.126   0.655   0.085  1.00  0.00           C  
HETATM    3  C   UNL     1       5.771   0.861   0.641  1.00  0.00           C  
HETATM    4  O   UNL     1       5.596   0.827   1.843  1.00  0.00           O  
HETATM    5  C   UNL     1       8.202   0.421   0.948  1.00  0.00           C  
HETATM    6  O   UNL     1       8.014   0.382   2.291  1.00  0.00           O  
HETATM    7  C   UNL     1       9.471   0.229   0.405  1.00  0.00           C  
HETATM    8  C   UNL     1       9.613   0.278  -0.970  1.00  0.00           C  
HETATM    9  C   UNL     1       8.500   0.514  -1.763  1.00  0.00           C  
HETATM   10  N   UNL     1       4.731   1.086  -0.186  1.00  0.00           N  
HETATM   11  C   UNL     1       3.389   1.290   0.364  1.00  0.00           C  
HETATM   12  C   UNL     1       2.733  -0.047   0.592  1.00  0.00           C  
HETATM   13  O   UNL     1       1.857  -0.169   1.423  1.00  0.00           O  
HETATM   14  C   UNL     1       2.556   2.113  -0.619  1.00  0.00           C  
HETATM   15  O   UNL     1       1.260   2.412  -0.037  1.00  0.00           O  
HETATM   16  C   UNL     1       2.362   1.317  -1.911  1.00  0.00           C  
HETATM   17  N   UNL     1       3.139  -1.120  -0.151  1.00  0.00           N  
HETATM   18  C   UNL     1       2.455  -2.395   0.169  1.00  0.00           C  
HETATM   19  C   UNL     1       1.093  -2.393  -0.478  1.00  0.00           C  
HETATM   20  O   UNL     1       0.640  -1.368  -0.943  1.00  0.00           O  
HETATM   21  C   UNL     1       3.277  -3.568  -0.370  1.00  0.00           C  
HETATM   22  C   UNL     1       3.258  -3.543  -1.900  1.00  0.00           C  
HETATM   23  N   UNL     1       0.381  -3.539  -0.537  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.932  -3.696  -1.160  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.875  -2.617  -0.690  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.984  -2.356   0.489  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.484  -5.070  -0.769  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.284  -5.860  -0.226  1.00  0.00           C  
HETATM   29  C   UNL     1       0.821  -4.824   0.004  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.347  -2.068  -3.068  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.605  -1.940  -1.632  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.677  -1.070  -1.090  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.523   0.306  -1.680  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.895   0.449  -2.708  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.555  -0.992   0.433  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.158  -2.228   1.049  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.368  -3.088   1.788  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.921  -4.222   2.353  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.265  -4.495   2.179  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.056  -3.634   1.441  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.503  -2.498   0.880  1.00  0.00           C  
HETATM   42  N   UNL     1      -4.073   1.381  -1.082  1.00  0.00           N  
HETATM   43  C   UNL     1      -3.758   2.723  -1.575  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.890   3.435  -0.568  1.00  0.00           C  
HETATM   45  O   UNL     1      -3.294   3.679   0.549  1.00  0.00           O  
HETATM   46  C   UNL     1      -5.038   3.504  -1.824  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.028   3.295  -0.710  1.00  0.00           C  
HETATM   48  O   UNL     1      -6.600   4.239  -0.221  1.00  0.00           O  
HETATM   49  C   UNL     1      -6.300   1.899  -0.208  1.00  0.00           C  
HETATM   50  C   UNL     1      -4.963   1.206   0.065  1.00  0.00           C  
HETATM   51  C   UNL     1       0.710   3.593  -0.357  1.00  0.00           C  
HETATM   52  N   UNL     1      -1.626   3.795  -0.961  1.00  0.00           N  
HETATM   53  O   UNL     1       1.315   4.365  -1.061  1.00  0.00           O  
HETATM   54  C   UNL     1      -0.660   3.961   0.155  1.00  0.00           C  
HETATM   55  C   UNL     1      -1.039   3.053   1.296  1.00  0.00           C  
HETATM   56  C   UNL     1      -1.734   1.385   3.389  1.00  0.00           C  
HETATM   57  C   UNL     1      -1.424   2.710   3.634  1.00  0.00           C  
HETATM   58  C   UNL     1      -1.701   0.896   2.097  1.00  0.00           C  
HETATM   59  C   UNL     1      -1.077   3.544   2.587  1.00  0.00           C  
HETATM   60  C   UNL     1      -1.354   1.729   1.050  1.00  0.00           C  
HETATM   61  H   UNL     1       8.611   0.552  -2.837  1.00  0.00           H  
HETATM   62  H   UNL     1       7.808  -0.499   2.633  1.00  0.00           H  
HETATM   63  H   UNL     1      10.323   0.047   1.043  1.00  0.00           H  
HETATM   64  H   UNL     1      10.583   0.133  -1.422  1.00  0.00           H  
HETATM   65  H   UNL     1       4.871   1.112  -1.146  1.00  0.00           H  
HETATM   66  H   UNL     1       3.462   1.824   1.311  1.00  0.00           H  
HETATM   67  H   UNL     1       3.076   3.044  -0.843  1.00  0.00           H  
HETATM   68  H   UNL     1       1.844   0.384  -1.689  1.00  0.00           H  
HETATM   69  H   UNL     1       1.768   1.903  -2.613  1.00  0.00           H  
HETATM   70  H   UNL     1       3.334   1.098  -2.353  1.00  0.00           H  
HETATM   71  H   UNL     1       3.822  -1.052  -0.836  1.00  0.00           H  
HETATM   72  H   UNL     1       2.346  -2.490   1.250  1.00  0.00           H  
HETATM   73  H   UNL     1       4.305  -3.483  -0.018  1.00  0.00           H  
HETATM   74  H   UNL     1       2.849  -4.505  -0.016  1.00  0.00           H  
HETATM   75  H   UNL     1       3.686  -2.606  -2.253  1.00  0.00           H  
HETATM   76  H   UNL     1       3.843  -4.378  -2.284  1.00  0.00           H  
HETATM   77  H   UNL     1       2.229  -3.628  -2.251  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.831  -3.640  -2.247  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.246  -4.965   0.003  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.900  -5.572  -1.643  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.547  -6.345   0.715  1.00  0.00           H  
HETATM   82  H   UNL     1       0.041  -6.602  -0.956  1.00  0.00           H  
HETATM   83  H   UNL     1       1.732  -5.142  -0.502  1.00  0.00           H  
HETATM   84  H   UNL     1       1.013  -4.725   1.072  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.548  -3.091  -3.384  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.995  -1.384  -3.616  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.305  -1.823  -3.272  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.651  -1.477  -1.361  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.503  -0.924   0.710  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.083  -0.110   0.795  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.318  -2.875   1.923  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.303  -4.894   2.930  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.697  -5.381   2.620  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.105  -3.848   1.305  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.121  -1.824   0.306  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.202   2.633  -2.515  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.134   0.143   0.233  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.503   1.643   0.952  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.801   4.566  -1.896  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.482   3.174  -2.763  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.881   1.949   0.713  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.854   1.341  -0.963  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.384   3.931  -1.890  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.660   4.998   0.493  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.001   0.733   4.207  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.450   3.093   4.643  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.943  -0.140   1.905  1.00  0.00           H  
HETATM  108  H   UNL     1      -0.835   4.579   2.779  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.328   1.347   0.040  1.00  0.00           H  
CONECT    1    2    2    9                                            
CONECT    2    1    1    3    5                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3                                                 
CONECT    5    2    6    7    7                                       
CONECT    6    5   62                                                 
CONECT    7    5    5    8   63                                       
CONECT    8    7    9    9   64                                       
CONECT    9    1    8    8   61                                       
CONECT   10   11   65    3                                            
CONECT   11   10   12   14   66                                       
CONECT   12   11   13   13   17                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   16   67                                       
CONECT   15   14   51                                                 
CONECT   16   14   68   69   70                                       
CONECT   17   18   71   12                                            
CONECT   18   17   19   21   72                                       
CONECT   19   18   20   20   23                                       
CONECT   20   19   19                                                 
CONECT   21   18   22   73   74                                       
CONECT   22   21   75   76   77                                       
CONECT   23   24   29   19                                            
CONECT   24   23   25   27   78                                       
CONECT   25   24   26   26   31                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   79   80                                       
CONECT   28   27   29   81   82                                       
CONECT   29   23   28   83   84                                       
CONECT   30   31   85   86   87                                       
CONECT   31   30   32   25                                            
CONECT   32   31   33   35   88                                       
CONECT   33   32   34   34   42                                       
CONECT   34   33   33                                                 
CONECT   35   32   36   89   90                                       
CONECT   36   35   37   37   41                                       
CONECT   37   36   36   38   91                                       
CONECT   38   37   39   39   92                                       
CONECT   39   38   38   40   93                                       
CONECT   40   39   41   41   94                                       
CONECT   41   36   40   40   95                                       
CONECT   42   43   50   33                                            
CONECT   43   42   44   46   96                                       
CONECT   44   43   45   45   52                                       
CONECT   45   44   44                                                 
CONECT   46   43   47   99  100                                       
CONECT   47   46   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   47   50  101  102                                       
CONECT   50   42   49   97   98                                       
CONECT   51   53   53   54   15                                       
CONECT   52  103   54   44                                            
CONECT   53   51   51                                                 
CONECT   54   51   52   55  104                                       
CONECT   55   54   59   60   60                                       
CONECT   56   57  105   58   58                                       
CONECT   57   56  106   59   59                                       
CONECT   58   56   56  107   60                                       
CONECT   59   55   57   57  108                                       
CONECT   60   55   55   58  109                                       
CONECT   61    9                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   14                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   22                                                      
CONECT   78   24                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   32                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   43                                                      
CONECT   97   50                                                      
CONECT   98   50                                                      
CONECT   99   46                                                      
CONECT  100   46                                                      
CONECT  101   49                                                      
CONECT  102   49                                                      
CONECT  103   52                                                      
CONECT  104   54                                                      
CONECT  105   56                                                      
CONECT  106   57                                                      
CONECT  107   58                                                      
CONECT  108   59                                                      
CONECT  109   60                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
