COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.260  -1.326 -11.298  1.00  0.00           C  
HETATM    2  C   UNL     1       1.065  -1.365 -12.601  1.00  0.00           C  
HETATM    3  C   UNL     1       0.754  -0.116 -13.428  1.00  0.00           C  
HETATM    4  C   UNL     1       1.214   1.132 -12.674  1.00  0.00           C  
HETATM    5  C   UNL     1       0.410   1.265 -11.371  1.00  0.00           C  
HETATM    6  C   UNL     1       0.553  -0.021 -10.590  1.00  0.00           C  
HETATM    7  C   UNL     1       0.916  -0.007  -9.335  1.00  0.00           C  
HETATM    8  C   UNL     1       1.278   0.007  -8.079  1.00  0.00           C  
HETATM    9  C   UNL     1       0.353   0.091  -7.116  1.00  0.00           C  
HETATM   10  C   UNL     1       0.745   0.107  -5.757  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.197   0.192  -4.776  1.00  0.00           C  
HETATM   12  C   UNL     1       0.191   0.208  -3.430  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.765   0.187  -2.434  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.379   0.096  -1.097  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.340   0.076  -0.098  1.00  0.00           C  
HETATM   16  C   UNL     1       0.671  -2.498 -10.405  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.234  -1.417 -11.609  1.00  0.00           C  
HETATM   18  C   UNL     1       0.959   2.429 -10.545  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.107   0.168  -7.479  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.227   0.264  -2.793  1.00  0.00           C  
HETATM   21  O   UNL     1       1.439  -0.192 -14.680  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.966   1.497 -11.679  1.00  0.00           O  
HETATM   23  C   UNL     1       1.411  -1.097  10.209  1.00  0.00           C  
HETATM   24  C   UNL     1       2.177  -1.173  11.529  1.00  0.00           C  
HETATM   25  C   UNL     1       2.892   0.163  11.756  1.00  0.00           C  
HETATM   26  C   UNL     1       1.854   1.208  12.168  1.00  0.00           C  
HETATM   27  C   UNL     1       0.739   1.287  11.137  1.00  0.00           C  
HETATM   28  C   UNL     1       0.478   0.111  10.210  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.953  -0.172   9.833  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.339  -0.080   8.555  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.704  -0.235   8.215  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.082  -0.256   6.906  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.119  -0.125   5.896  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.502  -0.146   4.570  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.535  -0.126   3.564  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.918  -0.035   2.236  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.955  -0.015   1.233  1.00  0.00           C  
HETATM   38  C   UNL     1       0.586  -2.374  10.028  1.00  0.00           C  
HETATM   39  C   UNL     1       2.404  -0.970   9.052  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.488   2.081  11.588  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.740  -0.376   9.300  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.073  -0.203   3.923  1.00  0.00           C  
HETATM   43  O   UNL     1       3.866   0.020  12.792  1.00  0.00           O  
HETATM   44  O   UNL     1       1.052   1.345   9.752  1.00  0.00           O  
HETATM   45  H   UNL     1       2.130  -1.392 -12.370  1.00  0.00           H  
HETATM   46  H   UNL     1       0.793  -2.254 -13.170  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.319  -0.057 -13.605  1.00  0.00           H  
HETATM   48  H   UNL     1       2.276   1.046 -12.441  1.00  0.00           H  
HETATM   49  H   UNL     1       1.049   2.013 -13.294  1.00  0.00           H  
HETATM   50  H   UNL     1       2.325  -0.047  -7.819  1.00  0.00           H  
HETATM   51  H   UNL     1       1.792   0.051  -5.496  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.243   0.247  -5.036  1.00  0.00           H  
HETATM   53  H   UNL     1       1.239   0.236  -3.171  1.00  0.00           H  
HETATM   54  H   UNL     1       0.668   0.041  -0.841  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.387   0.131  -0.355  1.00  0.00           H  
HETATM   56  H   UNL     1       0.109  -2.459  -9.472  1.00  0.00           H  
HETATM   57  H   UNL     1       0.459  -3.437 -10.917  1.00  0.00           H  
HETATM   58  H   UNL     1       1.738  -2.435 -10.190  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.802  -1.373 -10.680  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.523  -0.584 -12.251  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.443  -2.358 -12.119  1.00  0.00           H  
HETATM   62  H   UNL     1       0.876   3.353 -11.117  1.00  0.00           H  
HETATM   63  H   UNL     1       0.386   2.522  -9.622  1.00  0.00           H  
HETATM   64  H   UNL     1       2.006   2.243 -10.306  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.213   0.143  -8.564  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.635  -0.679  -7.043  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.529   1.096  -7.094  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.337   0.239  -3.877  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.753  -0.583  -2.354  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.647   1.193  -2.406  1.00  0.00           H  
HETATM   71  H   UNL     1       1.217   0.611 -15.169  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.003   2.318 -12.190  1.00  0.00           H  
HETATM   73  H   UNL     1       2.912  -1.976  11.480  1.00  0.00           H  
HETATM   74  H   UNL     1       1.481  -1.359  12.346  1.00  0.00           H  
HETATM   75  H   UNL     1       3.381   0.478  10.835  1.00  0.00           H  
HETATM   76  H   UNL     1       2.337   2.181  12.252  1.00  0.00           H  
HETATM   77  H   UNL     1       1.432   0.933  13.135  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.667  -0.450  10.594  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.608   0.113   7.783  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.124  -0.375   6.646  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.077  -0.006   6.155  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.550  -0.179   4.311  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.966   0.019   1.979  1.00  0.00           H  
HETATM   84  H   UNL     1       0.092  -0.070   1.490  1.00  0.00           H  
HETATM   85  H   UNL     1       1.252  -3.237  10.014  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.118  -2.471  10.854  1.00  0.00           H  
HETATM   87  H   UNL     1       0.039  -2.322   9.087  1.00  0.00           H  
HETATM   88  H   UNL     1       3.063  -1.838   9.042  1.00  0.00           H  
HETATM   89  H   UNL     1       1.859  -0.916   8.110  1.00  0.00           H  
HETATM   90  H   UNL     1       2.997  -0.065   9.181  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.171   2.922  12.205  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.022   2.452  10.714  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.146   1.433  12.168  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.267  -0.241  10.273  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.514   0.378   9.165  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.187  -1.369   9.249  1.00  0.00           H  
HETATM   97  H   UNL     1       0.036  -0.181   5.007  1.00  0.00           H  
HETATM   98  H   UNL     1       0.347  -1.130   3.534  1.00  0.00           H  
HETATM   99  H   UNL     1       0.452   0.645   3.487  1.00  0.00           H  
HETATM  100  H   UNL     1       4.280   0.887  12.908  1.00  0.00           H  
CONECT    1    2    6   16   17                                       
CONECT    2    1    3   45   46                                       
CONECT    3    2    4   21   47                                       
CONECT    4    3    5   48   49                                       
CONECT    5    4    6   18   22                                       
CONECT    6    1    5    7    7                                       
CONECT    7    6    6    8    8                                       
CONECT    8    7    7    9   50                                       
CONECT    9    8   10   10   19                                       
CONECT   10    9    9   11   51                                       
CONECT   11   10   12   12   52                                       
CONECT   12   11   11   13   53                                       
CONECT   13   12   14   14   20                                       
CONECT   14   13   13   15   54                                       
CONECT   15   14   37   37   55                                       
CONECT   16    1   56   57   58                                       
CONECT   17    1   59   60   61                                       
CONECT   18    5   62   63   64                                       
CONECT   19    9   65   66   67                                       
CONECT   20   13   68   69   70                                       
CONECT   21    3   71                                                 
CONECT   22    5   72                                                 
CONECT   23   24   28   38   39                                       
CONECT   24   23   25   73   74                                       
CONECT   25   24   26   43   75                                       
CONECT   26   25   27   76   77                                       
CONECT   27   26   28   40   44                                       
CONECT   28   23   27   29   44                                       
CONECT   29   28   30   30   78                                       
CONECT   30   29   29   31   79                                       
CONECT   31   30   32   32   41                                       
CONECT   32   31   31   33   80                                       
CONECT   33   32   34   34   81                                       
CONECT   34   33   33   35   82                                       
CONECT   35   34   36   36   42                                       
CONECT   36   35   35   37   83                                       
CONECT   37   15   15   36   84                                       
CONECT   38   23   85   86   87                                       
CONECT   39   23   88   89   90                                       
CONECT   40   27   91   92   93                                       
CONECT   41   31   94   95   96                                       
CONECT   42   35   97   98   99                                       
CONECT   43   25  100                                                 
CONECT   44   27   28                                                 
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   40                                                      
CONECT   93   40                                                      
CONECT   94   41                                                      
CONECT   95   41                                                      
CONECT   96   41                                                      
CONECT   97   42                                                      
CONECT   98   42                                                      
CONECT   99   42                                                      
CONECT  100   43                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
