COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.570  -0.780   1.002  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.487  -1.067  -0.498  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.838  -0.807  -1.171  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.892   0.752  -1.262  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.424   1.240  -1.205  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.577  -0.027  -1.203  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.264   0.031  -0.447  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.597  -1.346  -0.578  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.506  -2.463  -0.073  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.889  -2.443  -0.744  1.00  0.00           C  
HETATM   11  C   UNL     1       0.728  -1.383   0.164  1.00  0.00           C  
HETATM   12  C   UNL     1       0.443  -1.670   1.640  1.00  0.00           C  
HETATM   13  C   UNL     1       1.494  -0.096   0.076  1.00  0.00           C  
HETATM   14  C   UNL     1       1.028   0.989  -0.468  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.354   1.089  -1.079  1.00  0.00           C  
HETATM   16  C   UNL     1       2.899  -0.065   0.654  1.00  0.00           C  
HETATM   17  C   UNL     1       3.687  -1.241   0.068  1.00  0.00           C  
HETATM   18  C   UNL     1       2.934  -2.545   0.340  1.00  0.00           C  
HETATM   19  C   UNL     1       1.601  -2.517  -0.383  1.00  0.00           C  
HETATM   20  O   UNL     1       4.978  -1.301   0.678  1.00  0.00           O  
HETATM   21  C   UNL     1       5.979  -0.544  -0.005  1.00  0.00           C  
HETATM   22  C   UNL     1       7.313  -0.680   0.731  1.00  0.00           C  
HETATM   23  C   UNL     1       8.385   0.131   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       8.034   1.619   0.069  1.00  0.00           C  
HETATM   25  O   UNL     1       8.970   2.365  -0.711  1.00  0.00           O  
HETATM   26  C   UNL     1       8.731   3.774  -0.713  1.00  0.00           C  
HETATM   27  C   UNL     1       9.743  -0.104   0.663  1.00  0.00           C  
HETATM   28  O   UNL     1      10.762   0.559  -0.089  1.00  0.00           O  
HETATM   29  C   UNL     1      12.076   0.402   0.448  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.560   1.167  -0.053  1.00  0.00           O  
HETATM   31  C   UNL     1      -6.605   0.203   0.162  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.978  -1.159  -0.192  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.009  -2.062  -0.873  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.041   0.214   1.624  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.708   1.557   1.942  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.868   1.781   0.968  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.337   1.733  -0.468  1.00  0.00           C  
HETATM   38  O   UNL     1      -7.707   0.470  -0.697  1.00  0.00           O  
HETATM   39  C   UNL     1      -9.502   3.148   1.233  1.00  0.00           C  
HETATM   40  H   UNL     1      -4.201  -1.529   1.480  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.571  -0.817   1.435  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.999   0.210   1.159  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.932  -1.297  -2.140  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.415   1.092  -2.156  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.194   1.847  -2.081  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.252   1.812  -0.294  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.387  -0.343  -2.229  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.444   0.265   0.602  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.393  -1.521  -1.634  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.030  -3.424  -0.269  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.646  -2.349   1.002  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.519  -3.225  -0.320  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.783  -2.593  -1.818  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.064  -2.631   1.731  1.00  0.00           H  
HETATM   55  H   UNL     1       1.382  -1.702   2.192  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.192  -0.884   2.047  1.00  0.00           H  
HETATM   57  H   UNL     1       1.653   1.870  -0.477  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.295   0.883  -2.148  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.749   2.093  -0.923  1.00  0.00           H  
HETATM   60  H   UNL     1       3.386   0.873   0.386  1.00  0.00           H  
HETATM   61  H   UNL     1       2.852  -0.158   1.739  1.00  0.00           H  
HETATM   62  H   UNL     1       3.799  -1.104  -1.007  1.00  0.00           H  
HETATM   63  H   UNL     1       3.526  -3.387  -0.017  1.00  0.00           H  
HETATM   64  H   UNL     1       2.765  -2.649   1.412  1.00  0.00           H  
HETATM   65  H   UNL     1       1.084  -3.464  -0.230  1.00  0.00           H  
HETATM   66  H   UNL     1       1.769  -2.362  -1.449  1.00  0.00           H  
HETATM   67  H   UNL     1       6.086  -0.918  -1.023  1.00  0.00           H  
HETATM   68  H   UNL     1       5.685   0.505  -0.033  1.00  0.00           H  
HETATM   69  H   UNL     1       7.206  -0.306   1.749  1.00  0.00           H  
HETATM   70  H   UNL     1       7.607  -1.729   0.759  1.00  0.00           H  
HETATM   71  H   UNL     1       8.430  -0.183  -1.043  1.00  0.00           H  
HETATM   72  H   UNL     1       7.029   1.774  -0.322  1.00  0.00           H  
HETATM   73  H   UNL     1       8.076   1.954   1.106  1.00  0.00           H  
HETATM   74  H   UNL     1       9.484   4.269  -1.327  1.00  0.00           H  
HETATM   75  H   UNL     1       7.740   3.974  -1.121  1.00  0.00           H  
HETATM   76  H   UNL     1       8.788   4.154   0.307  1.00  0.00           H  
HETATM   77  H   UNL     1       9.726   0.291   1.678  1.00  0.00           H  
HETATM   78  H   UNL     1       9.953  -1.174   0.693  1.00  0.00           H  
HETATM   79  H   UNL     1      12.107   0.808   1.459  1.00  0.00           H  
HETATM   80  H   UNL     1      12.334  -0.657   0.474  1.00  0.00           H  
HETATM   81  H   UNL     1      12.791   0.935  -0.179  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.580  -1.642   0.700  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.526  -2.983  -1.200  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.806  -2.300  -0.168  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.430  -1.546  -1.736  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.751  -0.595   1.798  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.170   0.079   2.265  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.087   1.543   2.964  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.980   2.360   1.832  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.616   1.000   1.107  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.165   1.859  -1.166  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.612   2.534  -0.614  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.754   3.928   1.092  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.328   3.307   0.540  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.875   3.183   2.257  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2   10    6    1    3                                       
CONECT    3    2    4   32   43                                       
CONECT    4    5    3   30   44                                       
CONECT    5    6    4   45   46                                       
CONECT    6    7    2    5   47                                       
CONECT    7    8   15    6   48                                       
CONECT    8   11    9    7   49                                       
CONECT    9    8   10   50   51                                       
CONECT   10    9    2   52   53                                       
CONECT   11   19   13   12    8                                       
CONECT   12   11   54   55   56                                       
CONECT   13   16   11   14   14                                       
CONECT   14   13   13   15   57                                       
CONECT   15   14    7   58   59                                       
CONECT   16   17   13   60   61                                       
CONECT   17   20   18   16   62                                       
CONECT   18   17   19   63   64                                       
CONECT   19   18   11   65   66                                       
CONECT   20   21   17                                                 
CONECT   21   22   20   67   68                                       
CONECT   22   23   21   69   70                                       
CONECT   23   24   27   22   71                                       
CONECT   24   25   23   72   73                                       
CONECT   25   26   24                                                 
CONECT   26   25   74   75   76                                       
CONECT   27   28   23   77   78                                       
CONECT   28   29   27                                                 
CONECT   29   28   79   80   81                                       
CONECT   30    4   31                                                 
CONECT   31   32   30   38   34                                       
CONECT   32    3   33   31   82                                       
CONECT   33   32   83   84   85                                       
CONECT   34   31   35   86   87                                       
CONECT   35   34   36   88   89                                       
CONECT   36   37   35   39   90                                       
CONECT   37   38   36   91   92                                       
CONECT   38   31   37                                                 
CONECT   39   36   93   94   95                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   36                                                      
CONECT   91   37                                                      
CONECT   92   37                                                      
CONECT   93   39                                                      
CONECT   94   39                                                      
CONECT   95   39                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
