COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.082   2.236  -0.115  1.00  0.00           C  
HETATM    2  C   UNL     1       2.561   2.675  -1.494  1.00  0.00           C  
HETATM    3  C   UNL     1       2.075   1.689  -2.550  1.00  0.00           C  
HETATM    4  C   UNL     1       0.547   1.621  -2.563  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.013   1.337  -1.185  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.539   1.403  -1.170  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.063   1.163   0.218  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.333   1.244   1.289  1.00  0.00           C  
HETATM    9  C   UNL     1       0.149   1.504   1.254  1.00  0.00           C  
HETATM   10  C   UNL     1       0.556   2.187  -0.055  1.00  0.00           C  
HETATM   11  C   UNL     1       0.594   2.251   2.497  1.00  0.00           C  
HETATM   12  C   UNL     1       0.266   1.479   3.786  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.868   0.514   3.598  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.949   1.083   2.648  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.044   0.009   2.751  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.030  -0.373   4.255  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.708   0.184   4.843  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.332  -0.825   3.079  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.010   3.603  -0.063  1.00  0.00           C  
HETATM   20  C   UNL     1       0.166  -0.270   6.430  1.00  0.00           C  
HETATM   21  C   UNL     1       0.968  -1.358   7.096  1.00  0.00           C  
HETATM   22  C   UNL     1       2.149  -1.015   7.889  1.00  0.00           C  
HETATM   23  C   UNL     1       3.033  -1.961   8.213  1.00  0.00           C  
HETATM   24  C   UNL     1       4.103  -1.673   9.234  1.00  0.00           C  
HETATM   25  C   UNL     1       2.961  -3.316   7.558  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.504   2.429   3.145  1.00  0.00           C  
HETATM   27  C   UNL     1       0.166   0.469  -3.484  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.011   2.901  -3.182  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.471  -0.461  -3.053  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.152   0.203   4.925  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.234  -2.669   6.613  1.00  0.00           O  
HETATM   32  O   UNL     1       0.539   0.489  -4.773  1.00  0.00           O  
HETATM   33  O   UNL     1       0.635  -2.518   6.975  1.00  0.00           O  
HETATM   34  O   UNL     1       2.615   0.368  -2.278  1.00  0.00           O  
HETATM   35  C   UNL     1       3.793   0.001  -2.807  1.00  0.00           C  
HETATM   36  C   UNL     1       4.352  -1.368  -2.525  1.00  0.00           C  
HETATM   37  O   UNL     1       4.405   0.770  -3.510  1.00  0.00           O  
HETATM   38  O   UNL     1      -3.600   2.827   2.320  1.00  0.00           O  
HETATM   39  O   UNL     1       1.437   0.763   4.203  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.245  -0.724  -5.701  1.00  0.00           O  
HETATM   41  C   UNL     1       0.175  -0.608  -5.651  1.00  0.00           C  
HETATM   42  C   UNL     1       0.723  -0.340  -7.054  1.00  0.00           C  
HETATM   43  C   UNL     1       0.364  -1.521  -7.964  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.148  -1.755  -7.888  1.00  0.00           C  
HETATM   45  C   UNL     1      -1.555  -1.915  -6.422  1.00  0.00           C  
HETATM   46  O   UNL     1      -1.487  -2.941  -8.611  1.00  0.00           O  
HETATM   47  O   UNL     1       0.736  -1.223  -9.311  1.00  0.00           O  
HETATM   48  O   UNL     1       2.143  -0.197  -6.994  1.00  0.00           O  
HETATM   49  C   UNL     1      -3.059  -2.182  -6.339  1.00  0.00           C  
HETATM   50  O   UNL     1      -3.441  -2.339  -4.971  1.00  0.00           O  
HETATM   51  C   UNL     1      -1.005  -0.893   5.670  1.00  0.00           C  
HETATM   52  C   UNL     1      -1.981  -1.489   6.652  1.00  0.00           C  
HETATM   53  H   UNL     1       2.449   2.945   0.631  1.00  0.00           H  
HETATM   54  H   UNL     1       2.487   1.249   0.114  1.00  0.00           H  
HETATM   55  H   UNL     1       2.212   3.680  -1.718  1.00  0.00           H  
HETATM   56  H   UNL     1       3.659   2.687  -1.499  1.00  0.00           H  
HETATM   57  H   UNL     1       2.422   2.014  -3.536  1.00  0.00           H  
HETATM   58  H   UNL     1       0.254   0.280  -0.941  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.949   0.627  -1.823  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.901   2.369  -1.513  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.105   0.906   0.330  1.00  0.00           H  
HETATM   62  H   UNL     1       0.664   0.538   1.233  1.00  0.00           H  
HETATM   63  H   UNL     1       1.677   2.412   2.458  1.00  0.00           H  
HETATM   64  H   UNL     1       0.114   3.230   2.551  1.00  0.00           H  
HETATM   65  H   UNL     1       0.009   2.197   4.573  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.824  -0.845   2.118  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.013   0.437   2.476  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.054  -1.459   4.362  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.883   1.072   5.435  1.00  0.00           H  
HETATM   70  H   UNL     1       0.587  -1.077   3.606  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.074  -1.604   3.250  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.128  -0.746   2.011  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.084   3.565   0.117  1.00  0.00           H  
HETATM   74  H   UNL     1       0.469   4.191   0.719  1.00  0.00           H  
HETATM   75  H   UNL     1       0.179   4.065  -1.032  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.214   0.415   7.187  1.00  0.00           H  
HETATM   77  H   UNL     1       0.802   0.275   5.733  1.00  0.00           H  
HETATM   78  H   UNL     1       2.305   0.003   8.212  1.00  0.00           H  
HETATM   79  H   UNL     1       4.726  -2.558   9.367  1.00  0.00           H  
HETATM   80  H   UNL     1       4.720  -0.843   8.891  1.00  0.00           H  
HETATM   81  H   UNL     1       3.638  -1.411  10.185  1.00  0.00           H  
HETATM   82  H   UNL     1       2.209  -3.298   6.768  1.00  0.00           H  
HETATM   83  H   UNL     1       3.932  -3.564   7.130  1.00  0.00           H  
HETATM   84  H   UNL     1       2.689  -4.065   8.301  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.844   2.324   4.176  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.720   3.185   3.097  1.00  0.00           H  
HETATM   87  H   UNL     1       0.252   2.940  -4.239  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.096   2.910  -3.079  1.00  0.00           H  
HETATM   89  H   UNL     1       0.409   3.766  -2.671  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.944  -0.177   4.521  1.00  0.00           H  
HETATM   91  H   UNL     1       5.308  -1.483  -3.036  1.00  0.00           H  
HETATM   92  H   UNL     1       4.498  -1.487  -1.451  1.00  0.00           H  
HETATM   93  H   UNL     1       3.656  -2.126  -2.883  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.918   3.673   2.665  1.00  0.00           H  
HETATM   95  H   UNL     1       2.127   1.422   4.357  1.00  0.00           H  
HETATM   96  H   UNL     1       0.601  -1.535  -5.267  1.00  0.00           H  
HETATM   97  H   UNL     1       0.280   0.572  -7.452  1.00  0.00           H  
HETATM   98  H   UNL     1       0.890  -2.415  -7.629  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.671  -0.902  -8.321  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.013  -2.755  -5.985  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.214  -2.797  -9.527  1.00  0.00           H  
HETATM  102  H   UNL     1       1.693  -1.083  -9.312  1.00  0.00           H  
HETATM  103  H   UNL     1       2.324   0.554  -6.414  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.602  -1.343  -6.773  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.297  -3.093  -6.889  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.393  -2.506  -4.963  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.634  -1.675   5.008  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.455  -0.859   7.392  1.00  0.00           H  
CONECT    1    2   10   53   54                                       
CONECT    2    1    3   55   56                                       
CONECT    3    2    4   34   57                                       
CONECT    4    3    5   27   28                                       
CONECT    5    4    6   10   58                                       
CONECT    6    5    7   59   60                                       
CONECT    7    6    8    8   61                                       
CONECT    8    7    7    9   14                                       
CONECT    9    8   10   11   62                                       
CONECT   10    1    5    9   19                                       
CONECT   11    9   12   63   64                                       
CONECT   12   11   13   39   65                                       
CONECT   13   12   14   17   18                                       
CONECT   14    8   13   15   26                                       
CONECT   15   14   16   66   67                                       
CONECT   16   15   17   30   68                                       
CONECT   17   13   16   51   69                                       
CONECT   18   13   70   71   72                                       
CONECT   19   10   73   74   75                                       
CONECT   20   21   51   76   77                                       
CONECT   21   20   22   33   33                                       
CONECT   22   21   23   23   78                                       
CONECT   23   22   22   24   25                                       
CONECT   24   23   79   80   81                                       
CONECT   25   23   82   83   84                                       
CONECT   26   14   38   85   86                                       
CONECT   27    4   29   29   32                                       
CONECT   28    4   87   88   89                                       
CONECT   29   27   27                                                 
CONECT   30   16   90                                                 
CONECT   31   52   52                                                 
CONECT   32   27   41                                                 
CONECT   33   21   21                                                 
CONECT   34    3   35                                                 
CONECT   35   34   36   37   37                                       
CONECT   36   35   91   92   93                                       
CONECT   37   35   35                                                 
CONECT   38   26   94                                                 
CONECT   39   12   95                                                 
CONECT   40   41   45                                                 
CONECT   41   32   40   42   96                                       
CONECT   42   41   43   48   97                                       
CONECT   43   42   44   47   98                                       
CONECT   44   43   45   46   99                                       
CONECT   45   40   44   49  100                                       
CONECT   46   44  101                                                 
CONECT   47   43  102                                                 
CONECT   48   42  103                                                 
CONECT   49   45   50  104  105                                       
CONECT   50   49  106                                                 
CONECT   51   17   20   52  107                                       
CONECT   52   31   31   51  108                                       
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    2                                                      
CONECT   57    3                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    9                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   19                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   20                                                      
CONECT   78   22                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   26                                                      
CONECT   86   26                                                      
CONECT   87   28                                                      
CONECT   88   28                                                      
CONECT   89   28                                                      
CONECT   90   30                                                      
CONECT   91   36                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   38                                                      
CONECT   95   39                                                      
CONECT   96   41                                                      
CONECT   97   42                                                      
CONECT   98   43                                                      
CONECT   99   44                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   47                                                      
CONECT  103   48                                                      
CONECT  104   49                                                      
CONECT  105   49                                                      
CONECT  106   50                                                      
CONECT  107   51                                                      
CONECT  108   52                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
