COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.795  -1.205  12.212  1.00  0.00           O  
HETATM    2  C   UNL     1       1.510  -0.244  11.964  1.00  0.00           C  
HETATM    3  O   UNL     1       1.571   0.857  12.758  1.00  0.00           O  
HETATM    4  C   UNL     1       2.406  -0.103  10.754  1.00  0.00           C  
HETATM    5  C   UNL     1       2.303  -1.282   9.784  1.00  0.00           C  
HETATM    6  C   UNL     1       3.162  -1.083   8.531  1.00  0.00           C  
HETATM    7  C   UNL     1       3.072  -2.249   7.538  1.00  0.00           C  
HETATM    8  C   UNL     1       3.861  -2.075   6.225  1.00  0.00           C  
HETATM    9  C   UNL     1       3.699  -3.273   5.285  1.00  0.00           C  
HETATM   10  C   UNL     1       3.382  -0.823   5.520  1.00  0.00           C  
HETATM   11  C   UNL     1       4.099   0.270   5.192  1.00  0.00           C  
HETATM   12  C   UNL     1       5.554   0.482   5.499  1.00  0.00           C  
HETATM   13  C   UNL     1       3.451   1.407   4.469  1.00  0.00           C  
HETATM   14  C   UNL     1       3.506   1.261   2.937  1.00  0.00           C  
HETATM   15  C   UNL     1       2.625   2.284   2.284  1.00  0.00           C  
HETATM   16  C   UNL     1       1.688   2.948   2.972  1.00  0.00           C  
HETATM   17  O   UNL     1       2.993  -0.033   2.550  1.00  0.00           O  
HETATM   18  O   UNL     1       2.083   1.488   4.891  1.00  0.00           O  
HETATM   19  C   UNL     1       1.401   2.671   4.427  1.00  0.00           C  
HETATM   20  C   UNL     1       1.715   3.845   5.371  1.00  0.00           C  
HETATM   21  C   UNL     1       0.962   5.105   5.050  1.00  0.00           C  
HETATM   22  C   UNL     1       1.580   6.240   4.695  1.00  0.00           C  
HETATM   23  C   UNL     1       0.892   7.529   4.350  1.00  0.00           C  
HETATM   24  C   UNL     1       0.878   7.835   2.844  1.00  0.00           C  
HETATM   25  C   UNL     1       2.229   7.686   2.198  1.00  0.00           C  
HETATM   26  C   UNL     1       2.446   6.903   1.130  1.00  0.00           C  
HETATM   27  C   UNL     1       3.766   6.564   0.476  1.00  0.00           C  
HETATM   28  O   UNL     1       3.738   5.152   0.280  1.00  0.00           O  
HETATM   29  C   UNL     1       5.044   6.991   1.244  1.00  0.00           C  
HETATM   30  O   UNL     1       5.150   8.410   1.133  1.00  0.00           O  
HETATM   31  C   UNL     1       6.338   6.330   0.709  1.00  0.00           C  
HETATM   32  O   UNL     1       6.287   4.932   1.019  1.00  0.00           O  
HETATM   33  C   UNL     1       7.612   6.933   1.327  1.00  0.00           C  
HETATM   34  C   UNL     1       8.865   6.160   0.904  1.00  0.00           C  
HETATM   35  O   UNL     1       9.127   6.416  -0.478  1.00  0.00           O  
HETATM   36  C   UNL     1       8.698   4.639   1.090  1.00  0.00           C  
HETATM   37  C   UNL     1       8.788   4.272   2.576  1.00  0.00           C  
HETATM   38  C   UNL     1       7.369   4.192   0.441  1.00  0.00           C  
HETATM   39  C   UNL     1       7.076   2.693   0.618  1.00  0.00           C  
HETATM   40  C   UNL     1       5.878   2.291  -0.196  1.00  0.00           C  
HETATM   41  C   UNL     1       5.927   1.532  -1.300  1.00  0.00           C  
HETATM   42  C   UNL     1       4.717   1.224  -2.142  1.00  0.00           C  
HETATM   43  O   UNL     1       4.644  -0.203  -2.282  1.00  0.00           O  
HETATM   44  C   UNL     1       3.819  -0.704  -3.344  1.00  0.00           C  
HETATM   45  C   UNL     1       4.364  -0.187  -4.656  1.00  0.00           C  
HETATM   46  C   UNL     1       3.904   1.257  -4.532  1.00  0.00           C  
HETATM   47  C   UNL     1       4.801   1.960  -3.503  1.00  0.00           C  
HETATM   48  C   UNL     1       4.428   3.439  -3.360  1.00  0.00           C  
HETATM   49  O   UNL     1       2.562   1.186  -3.999  1.00  0.00           O  
HETATM   50  C   UNL     1       2.400  -0.122  -3.400  1.00  0.00           C  
HETATM   51  C   UNL     1       1.559  -0.038  -2.160  1.00  0.00           C  
HETATM   52  C   UNL     1       1.734  -0.764  -1.045  1.00  0.00           C  
HETATM   53  C   UNL     1       0.830  -0.699   0.085  1.00  0.00           C  
HETATM   54  C   UNL     1       0.889  -1.450   1.197  1.00  0.00           C  
HETATM   55  C   UNL     1       1.886  -2.446   1.516  1.00  0.00           C  
HETATM   56  C   UNL     1       3.174  -2.242   1.829  1.00  0.00           C  
HETATM   57  C   UNL     1       3.843  -0.931   1.989  1.00  0.00           C  
HETATM   58  O   UNL     1       5.023  -0.764   1.720  1.00  0.00           O  
HETATM   59  H   UNL     1       0.997   0.828  13.553  1.00  0.00           H  
HETATM   60  H   UNL     1       3.443   0.013  11.087  1.00  0.00           H  
HETATM   61  H   UNL     1       2.101   0.811  10.232  1.00  0.00           H  
HETATM   62  H   UNL     1       2.586  -2.214  10.288  1.00  0.00           H  
HETATM   63  H   UNL     1       1.252  -1.382   9.489  1.00  0.00           H  
HETATM   64  H   UNL     1       4.214  -0.974   8.821  1.00  0.00           H  
HETATM   65  H   UNL     1       2.886  -0.145   8.037  1.00  0.00           H  
HETATM   66  H   UNL     1       3.416  -3.156   8.053  1.00  0.00           H  
HETATM   67  H   UNL     1       2.013  -2.418   7.300  1.00  0.00           H  
HETATM   68  H   UNL     1       4.926  -1.992   6.455  1.00  0.00           H  
HETATM   69  H   UNL     1       4.195  -3.088   4.325  1.00  0.00           H  
HETATM   70  H   UNL     1       2.644  -3.487   5.083  1.00  0.00           H  
HETATM   71  H   UNL     1       4.151  -4.174   5.712  1.00  0.00           H  
HETATM   72  H   UNL     1       2.325  -0.832   5.253  1.00  0.00           H  
HETATM   73  H   UNL     1       5.983  -0.284   6.147  1.00  0.00           H  
HETATM   74  H   UNL     1       5.693   1.441   6.012  1.00  0.00           H  
HETATM   75  H   UNL     1       6.135   0.503   4.572  1.00  0.00           H  
HETATM   76  H   UNL     1       3.977   2.320   4.773  1.00  0.00           H  
HETATM   77  H   UNL     1       4.538   1.400   2.594  1.00  0.00           H  
HETATM   78  H   UNL     1       2.756   2.482   1.225  1.00  0.00           H  
HETATM   79  H   UNL     1       1.077   3.684   2.457  1.00  0.00           H  
HETATM   80  H   UNL     1       0.332   2.440   4.511  1.00  0.00           H  
HETATM   81  H   UNL     1       2.794   4.041   5.387  1.00  0.00           H  
HETATM   82  H   UNL     1       1.468   3.547   6.398  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.123   5.072   5.107  1.00  0.00           H  
HETATM   84  H   UNL     1       2.668   6.251   4.649  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.141   7.527   4.720  1.00  0.00           H  
HETATM   86  H   UNL     1       1.404   8.340   4.883  1.00  0.00           H  
HETATM   87  H   UNL     1       0.528   8.863   2.695  1.00  0.00           H  
HETATM   88  H   UNL     1       0.145   7.179   2.357  1.00  0.00           H  
HETATM   89  H   UNL     1       3.050   8.214   2.673  1.00  0.00           H  
HETATM   90  H   UNL     1       1.582   6.410   0.685  1.00  0.00           H  
HETATM   91  H   UNL     1       3.761   7.034  -0.515  1.00  0.00           H  
HETATM   92  H   UNL     1       4.482   4.940  -0.304  1.00  0.00           H  
HETATM   93  H   UNL     1       4.932   6.722   2.303  1.00  0.00           H  
HETATM   94  H   UNL     1       5.638   8.585   0.314  1.00  0.00           H  
HETATM   95  H   UNL     1       6.371   6.462  -0.381  1.00  0.00           H  
HETATM   96  H   UNL     1       7.710   7.982   1.026  1.00  0.00           H  
HETATM   97  H   UNL     1       7.532   6.904   2.420  1.00  0.00           H  
HETATM   98  H   UNL     1       9.736   6.520   1.463  1.00  0.00           H  
HETATM   99  H   UNL     1       9.784   5.761  -0.756  1.00  0.00           H  
HETATM  100  H   UNL     1       9.518   4.129   0.566  1.00  0.00           H  
HETATM  101  H   UNL     1       9.600   4.824   3.060  1.00  0.00           H  
HETATM  102  H   UNL     1       7.853   4.515   3.089  1.00  0.00           H  
HETATM  103  H   UNL     1       8.980   3.202   2.697  1.00  0.00           H  
HETATM  104  H   UNL     1       7.403   4.408  -0.636  1.00  0.00           H  
HETATM  105  H   UNL     1       6.851   2.460   1.665  1.00  0.00           H  
HETATM  106  H   UNL     1       7.953   2.103   0.325  1.00  0.00           H  
HETATM  107  H   UNL     1       4.919   2.675   0.135  1.00  0.00           H  
HETATM  108  H   UNL     1       6.885   1.151  -1.645  1.00  0.00           H  
HETATM  109  H   UNL     1       3.814   1.541  -1.606  1.00  0.00           H  
HETATM  110  H   UNL     1       3.821  -1.796  -3.287  1.00  0.00           H  
HETATM  111  H   UNL     1       5.450  -0.283  -4.758  1.00  0.00           H  
HETATM  112  H   UNL     1       3.876  -0.681  -5.504  1.00  0.00           H  
HETATM  113  H   UNL     1       3.894   1.780  -5.493  1.00  0.00           H  
HETATM  114  H   UNL     1       5.832   1.915  -3.883  1.00  0.00           H  
HETATM  115  H   UNL     1       4.952   3.887  -2.509  1.00  0.00           H  
HETATM  116  H   UNL     1       4.701   3.994  -4.263  1.00  0.00           H  
HETATM  117  H   UNL     1       3.352   3.550  -3.198  1.00  0.00           H  
HETATM  118  H   UNL     1       1.816  -0.697  -4.132  1.00  0.00           H  
HETATM  119  H   UNL     1       0.708   0.639  -2.219  1.00  0.00           H  
HETATM  120  H   UNL     1       2.556  -1.470  -0.994  1.00  0.00           H  
HETATM  121  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM  122  H   UNL     1       0.097  -1.344   1.934  1.00  0.00           H  
HETATM  123  H   UNL     1       1.522  -3.471   1.491  1.00  0.00           H  
HETATM  124  H   UNL     1       3.818  -3.104   1.982  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   59                                                 
CONECT    4    2    5   60   61                                       
CONECT    5    4    6   62   63                                       
CONECT    6    5    7   64   65                                       
CONECT    7    6    8   66   67                                       
CONECT    8    7    9   10   68                                       
CONECT    9    8   69   70   71                                       
CONECT   10    8   11   11   72                                       
CONECT   11   10   10   12   13                                       
CONECT   12   11   73   74   75                                       
CONECT   13   11   14   18   76                                       
CONECT   14   13   15   17   77                                       
CONECT   15   14   16   16   78                                       
CONECT   16   15   15   19   79                                       
CONECT   17   14   57                                                 
CONECT   18   13   19                                                 
CONECT   19   16   18   20   80                                       
CONECT   20   19   21   81   82                                       
CONECT   21   20   22   22   83                                       
CONECT   22   21   21   23   84                                       
CONECT   23   22   24   85   86                                       
CONECT   24   23   25   87   88                                       
CONECT   25   24   26   26   89                                       
CONECT   26   25   25   27   90                                       
CONECT   27   26   28   29   91                                       
CONECT   28   27   92                                                 
CONECT   29   27   30   31   93                                       
CONECT   30   29   94                                                 
CONECT   31   29   32   33   95                                       
CONECT   32   31   38                                                 
CONECT   33   31   34   96   97                                       
CONECT   34   33   35   36   98                                       
CONECT   35   34   99                                                 
CONECT   36   34   37   38  100                                       
CONECT   37   36  101  102  103                                       
CONECT   38   32   36   39  104                                       
CONECT   39   38   40  105  106                                       
CONECT   40   39   41   41  107                                       
CONECT   41   40   40   42  108                                       
CONECT   42   41   43   47  109                                       
CONECT   43   42   44                                                 
CONECT   44   43   45   50  110                                       
CONECT   45   44   46  111  112                                       
CONECT   46   45   47   49  113                                       
CONECT   47   42   46   48  114                                       
CONECT   48   47  115  116  117                                       
CONECT   49   46   50                                                 
CONECT   50   44   49   51  118                                       
CONECT   51   50   52   52  119                                       
CONECT   52   51   51   53  120                                       
CONECT   53   52   54   54  121                                       
CONECT   54   53   53   55  122                                       
CONECT   55   54   56   56  123                                       
CONECT   56   55   55   57  124                                       
CONECT   57   17   56   58   58                                       
CONECT   58   57   57                                                 
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    4                                                      
CONECT   62    5                                                      
CONECT   63    5                                                      
CONECT   64    6                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69    9                                                      
CONECT   70    9                                                      
CONECT   71    9                                                      
CONECT   72   10                                                      
CONECT   73   12                                                      
CONECT   74   12                                                      
CONECT   75   12                                                      
CONECT   76   13                                                      
CONECT   77   14                                                      
CONECT   78   15                                                      
CONECT   79   16                                                      
CONECT   80   19                                                      
CONECT   81   20                                                      
CONECT   82   20                                                      
CONECT   83   21                                                      
CONECT   84   22                                                      
CONECT   85   23                                                      
CONECT   86   23                                                      
CONECT   87   24                                                      
CONECT   88   24                                                      
CONECT   89   25                                                      
CONECT   90   26                                                      
CONECT   91   27                                                      
CONECT   92   28                                                      
CONECT   93   29                                                      
CONECT   94   30                                                      
CONECT   95   31                                                      
CONECT   96   33                                                      
CONECT   97   33                                                      
CONECT   98   34                                                      
CONECT   99   35                                                      
CONECT  100   36                                                      
CONECT  101   37                                                      
CONECT  102   37                                                      
CONECT  103   37                                                      
CONECT  104   38                                                      
CONECT  105   39                                                      
CONECT  106   39                                                      
CONECT  107   40                                                      
CONECT  108   41                                                      
CONECT  109   42                                                      
CONECT  110   44                                                      
CONECT  111   45                                                      
CONECT  112   45                                                      
CONECT  113   46                                                      
CONECT  114   47                                                      
CONECT  115   48                                                      
CONECT  116   48                                                      
CONECT  117   48                                                      
CONECT  118   50                                                      
CONECT  119   51                                                      
CONECT  120   52                                                      
CONECT  121   53                                                      
CONECT  122   54                                                      
CONECT  123   55                                                      
CONECT  124   56                                                      
MASTER        0    0    0    0    0    0    0    0  124    0  124    0
END
