COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.670  -1.665   1.728  1.00  0.00           C  
HETATM    2  C   UNL     1     -12.351  -0.926   0.574  1.00  0.00           C  
HETATM    3  C   UNL     1     -12.978  -1.945  -0.380  1.00  0.00           C  
HETATM    4  C   UNL     1     -13.444  -0.012   1.131  1.00  0.00           C  
HETATM    5  C   UNL     1     -13.941   0.898   0.001  1.00  0.00           C  
HETATM    6  O   UNL     1     -15.085   1.630   0.444  1.00  0.00           O  
HETATM    7  C   UNL     1     -12.820   1.870  -0.369  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.538   1.121  -0.591  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.427   1.816  -1.335  1.00  0.00           C  
HETATM   10  C   UNL     1     -11.330  -0.113  -0.168  1.00  0.00           C  
HETATM   11  C   UNL     1     -10.069  -0.704  -0.433  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.930  -0.092  -0.014  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.677  -0.619  -0.370  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.596  -1.863  -1.217  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.532  -0.004   0.052  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.284  -0.529  -0.303  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.128   0.091   0.122  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.882  -0.433  -0.232  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.801  -1.677  -1.079  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.725   0.189   0.194  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.480  -0.336  -0.160  1.00  0.00           C  
HETATM   22  C   UNL     1       0.678   0.287   0.267  1.00  0.00           C  
HETATM   23  C   UNL     1       1.922  -0.237  -0.087  1.00  0.00           C  
HETATM   24  C   UNL     1       3.081   0.385   0.340  1.00  0.00           C  
HETATM   25  C   UNL     1       3.000   1.629   1.187  1.00  0.00           C  
HETATM   26  C   UNL     1       4.325  -0.138  -0.014  1.00  0.00           C  
HETATM   27  C   UNL     1       5.484   0.484   0.413  1.00  0.00           C  
HETATM   28  C   UNL     1       6.727  -0.039   0.060  1.00  0.00           C  
HETATM   29  C   UNL     1       7.886   0.584   0.487  1.00  0.00           C  
HETATM   30  C   UNL     1       7.805   1.828   1.334  1.00  0.00           C  
HETATM   31  C   UNL     1       9.129   0.061   0.133  1.00  0.00           C  
HETATM   32  C   UNL     1      10.289   0.684   0.560  1.00  0.00           C  
HETATM   33  C   UNL     1      11.530   0.219   0.128  1.00  0.00           C  
HETATM   34  C   UNL     1      11.875  -1.101   0.339  1.00  0.00           C  
HETATM   35  C   UNL     1      10.899  -2.016   1.032  1.00  0.00           C  
HETATM   36  C   UNL     1      13.103  -1.604  -0.075  1.00  0.00           C  
HETATM   37  O   UNL     1      13.374  -2.773   0.128  1.00  0.00           O  
HETATM   38  C   UNL     1      14.101  -0.717  -0.772  1.00  0.00           C  
HETATM   39  C   UNL     1      13.919   0.725  -0.291  1.00  0.00           C  
HETATM   40  C   UNL     1      12.475   1.161  -0.570  1.00  0.00           C  
HETATM   41  C   UNL     1      12.261   2.582  -0.043  1.00  0.00           C  
HETATM   42  C   UNL     1      12.209   1.129  -2.076  1.00  0.00           C  
HETATM   43  H   UNL     1     -10.964  -2.393   1.327  1.00  0.00           H  
HETATM   44  H   UNL     1     -11.137  -0.949   2.353  1.00  0.00           H  
HETATM   45  H   UNL     1     -12.423  -2.179   2.325  1.00  0.00           H  
HETATM   46  H   UNL     1     -13.717  -2.539   0.158  1.00  0.00           H  
HETATM   47  H   UNL     1     -13.464  -1.420  -1.203  1.00  0.00           H  
HETATM   48  H   UNL     1     -12.202  -2.600  -0.774  1.00  0.00           H  
HETATM   49  H   UNL     1     -14.270  -0.616   1.506  1.00  0.00           H  
HETATM   50  H   UNL     1     -13.036   0.596   1.938  1.00  0.00           H  
HETATM   51  H   UNL     1     -14.207   0.293  -0.866  1.00  0.00           H  
HETATM   52  H   UNL     1     -15.452   2.227  -0.223  1.00  0.00           H  
HETATM   53  H   UNL     1     -13.090   2.402  -1.282  1.00  0.00           H  
HETATM   54  H   UNL     1     -12.683   2.589   0.438  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.775   2.790  -1.679  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.573   1.949  -0.671  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.130   1.212  -2.192  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.013  -1.640  -0.969  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.988   0.800   0.593  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.575  -1.584  -2.270  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.689  -2.413  -0.968  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.466  -2.490  -1.025  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.590   0.888   0.659  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.226  -1.421  -0.910  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.186   0.983   0.729  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.779  -1.398  -2.132  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.894  -2.227  -0.830  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.671  -2.305  -0.887  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.783   1.080   0.801  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.422  -1.227  -0.767  1.00  0.00           H  
HETATM   71  H   UNL     1       0.620   1.178   0.874  1.00  0.00           H  
HETATM   72  H   UNL     1       1.980  -1.128  -0.694  1.00  0.00           H  
HETATM   73  H   UNL     1       2.978   1.351   2.240  1.00  0.00           H  
HETATM   74  H   UNL     1       3.870   2.257   0.994  1.00  0.00           H  
HETATM   75  H   UNL     1       2.093   2.180   0.938  1.00  0.00           H  
HETATM   76  H   UNL     1       4.383  -1.030  -0.621  1.00  0.00           H  
HETATM   77  H   UNL     1       5.426   1.376   1.020  1.00  0.00           H  
HETATM   78  H   UNL     1       6.785  -0.930  -0.547  1.00  0.00           H  
HETATM   79  H   UNL     1       7.784   1.549   2.387  1.00  0.00           H  
HETATM   80  H   UNL     1       8.675   2.456   1.141  1.00  0.00           H  
HETATM   81  H   UNL     1       6.898   2.379   1.085  1.00  0.00           H  
HETATM   82  H   UNL     1       9.187  -0.830  -0.474  1.00  0.00           H  
HETATM   83  H   UNL     1      10.232   1.530   1.229  1.00  0.00           H  
HETATM   84  H   UNL     1      10.254  -2.489   0.290  1.00  0.00           H  
HETATM   85  H   UNL     1      11.446  -2.783   1.580  1.00  0.00           H  
HETATM   86  H   UNL     1      10.289  -1.438   1.727  1.00  0.00           H  
HETATM   87  H   UNL     1      15.112  -1.054  -0.540  1.00  0.00           H  
HETATM   88  H   UNL     1      13.940  -0.764  -1.849  1.00  0.00           H  
HETATM   89  H   UNL     1      14.121   0.781   0.779  1.00  0.00           H  
HETATM   90  H   UNL     1      14.607   1.379  -0.828  1.00  0.00           H  
HETATM   91  H   UNL     1      12.460   2.606   1.028  1.00  0.00           H  
HETATM   92  H   UNL     1      12.940   3.265  -0.554  1.00  0.00           H  
HETATM   93  H   UNL     1      11.231   2.887  -0.229  1.00  0.00           H  
HETATM   94  H   UNL     1      11.182   1.436  -2.270  1.00  0.00           H  
HETATM   95  H   UNL     1      12.894   1.811  -2.581  1.00  0.00           H  
HETATM   96  H   UNL     1      12.363   0.117  -2.451  1.00  0.00           H  
CONECT    1    2   43   44   45                                       
CONECT    2    1    3    4   10                                       
CONECT    3    2   46   47   48                                       
CONECT    4    2    5   49   50                                       
CONECT    5    4    6    7   51                                       
CONECT    6    5   52                                                 
CONECT    7    5    8   53   54                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8   55   56   57                                       
CONECT   10    2    8    8   11                                       
CONECT   11   10   12   12   58                                       
CONECT   12   11   11   13   59                                       
CONECT   13   12   14   15   15                                       
CONECT   14   13   60   61   62                                       
CONECT   15   13   13   16   63                                       
CONECT   16   15   17   17   64                                       
CONECT   17   16   16   18   65                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18   66   67   68                                       
CONECT   20   18   18   21   69                                       
CONECT   21   20   22   22   70                                       
CONECT   22   21   21   23   71                                       
CONECT   23   22   24   24   72                                       
CONECT   24   23   23   25   26                                       
CONECT   25   24   73   74   75                                       
CONECT   26   24   27   27   76                                       
CONECT   27   26   26   28   77                                       
CONECT   28   27   29   29   78                                       
CONECT   29   28   28   30   31                                       
CONECT   30   29   79   80   81                                       
CONECT   31   29   32   32   82                                       
CONECT   32   31   31   33   83                                       
CONECT   33   32   34   34   40                                       
CONECT   34   33   33   35   36                                       
CONECT   35   34   84   85   86                                       
CONECT   36   34   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   87   88                                       
CONECT   39   38   40   89   90                                       
CONECT   40   33   39   41   42                                       
CONECT   41   40   91   92   93                                       
CONECT   42   40   94   95   96                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   41                                                      
CONECT   92   41                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   42                                                      
CONECT   96   42                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
