COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.683   0.056   0.643  1.00  0.00           C  
HETATM    2  C   UNL     1      10.488   0.553  -0.173  1.00  0.00           C  
HETATM    3  C   UNL     1       9.207  -0.099   0.350  1.00  0.00           C  
HETATM    4  C   UNL     1       9.260  -1.584   0.099  1.00  0.00           C  
HETATM    5  C   UNL     1       9.194  -2.466   1.162  1.00  0.00           C  
HETATM    6  C   UNL     1       9.243  -3.828   0.934  1.00  0.00           C  
HETATM    7  C   UNL     1       9.358  -4.310  -0.361  1.00  0.00           C  
HETATM    8  O   UNL     1       9.405  -5.649  -0.588  1.00  0.00           O  
HETATM    9  C   UNL     1       9.424  -3.423  -1.426  1.00  0.00           C  
HETATM   10  C   UNL     1       9.370  -2.062  -1.194  1.00  0.00           C  
HETATM   11  C   UNL     1       7.998   0.497  -0.375  1.00  0.00           C  
HETATM   12  C   UNL     1       6.731  -0.047   0.231  1.00  0.00           C  
HETATM   13  O   UNL     1       5.538   0.340  -0.248  1.00  0.00           O  
HETATM   14  C   UNL     1       4.359  -0.224   0.384  1.00  0.00           C  
HETATM   15  C   UNL     1       3.103   0.329  -0.293  1.00  0.00           C  
HETATM   16  C   UNL     1       1.861  -0.265   0.373  1.00  0.00           C  
HETATM   17  C   UNL     1       0.605   0.288  -0.303  1.00  0.00           C  
HETATM   18  O   UNL     1       6.787  -0.831   1.148  1.00  0.00           O  
HETATM   19  C   UNL     1       8.019   1.998  -0.235  1.00  0.00           C  
HETATM   20  C   UNL     1       8.181   2.793  -1.354  1.00  0.00           C  
HETATM   21  C   UNL     1       8.199   4.169  -1.228  1.00  0.00           C  
HETATM   22  C   UNL     1       8.055   4.752   0.022  1.00  0.00           C  
HETATM   23  O   UNL     1       8.073   6.105   0.149  1.00  0.00           O  
HETATM   24  C   UNL     1       7.893   3.951   1.144  1.00  0.00           C  
HETATM   25  C   UNL     1       7.870   2.576   1.012  1.00  0.00           C  
HETATM   26  H   UNL     1      12.604   0.454   0.218  1.00  0.00           H  
HETATM   27  H   UNL     1      11.584   0.394   1.675  1.00  0.00           H  
HETATM   28  H   UNL     1      11.712  -1.033   0.618  1.00  0.00           H  
HETATM   29  H   UNL     1      10.409   1.636  -0.079  1.00  0.00           H  
HETATM   30  H   UNL     1      10.629   0.289  -1.221  1.00  0.00           H  
HETATM   31  H   UNL     1       9.116   0.086   1.420  1.00  0.00           H  
HETATM   32  H   UNL     1       9.105  -2.090   2.170  1.00  0.00           H  
HETATM   33  H   UNL     1       9.191  -4.517   1.765  1.00  0.00           H  
HETATM   34  H   UNL     1       8.539  -6.056  -0.725  1.00  0.00           H  
HETATM   35  H   UNL     1       9.510  -3.796  -2.436  1.00  0.00           H  
HETATM   36  H   UNL     1       9.421  -1.371  -2.022  1.00  0.00           H  
HETATM   37  H   UNL     1       8.040   0.230  -1.431  1.00  0.00           H  
HETATM   38  H   UNL     1       4.377  -1.310   0.283  1.00  0.00           H  
HETATM   39  H   UNL     1       4.350   0.042   1.440  1.00  0.00           H  
HETATM   40  H   UNL     1       3.085   1.415  -0.192  1.00  0.00           H  
HETATM   41  H   UNL     1       3.112   0.063  -1.349  1.00  0.00           H  
HETATM   42  H   UNL     1       1.879  -1.351   0.273  1.00  0.00           H  
HETATM   43  H   UNL     1       1.852   0.001   1.430  1.00  0.00           H  
HETATM   44  H   UNL     1       0.587   1.374  -0.202  1.00  0.00           H  
HETATM   45  H   UNL     1       0.614   0.022  -1.360  1.00  0.00           H  
HETATM   46  H   UNL     1       8.293   2.339  -2.327  1.00  0.00           H  
HETATM   47  H   UNL     1       8.326   4.790  -2.103  1.00  0.00           H  
HETATM   48  H   UNL     1       7.202   6.518   0.074  1.00  0.00           H  
HETATM   49  H   UNL     1       7.781   4.403   2.118  1.00  0.00           H  
HETATM   50  H   UNL     1       7.744   1.953   1.885  1.00  0.00           H  
HETATM   51  C   UNL     1      -0.637  -0.306   0.363  1.00  0.00           C  
HETATM   52  C   UNL     1      -1.893   0.247  -0.313  1.00  0.00           C  
HETATM   53  C   UNL     1      -3.136  -0.347   0.353  1.00  0.00           C  
HETATM   54  C   UNL     1      -4.391   0.206  -0.323  1.00  0.00           C  
HETATM   55  O   UNL     1      -5.570  -0.358   0.309  1.00  0.00           O  
HETATM   56  C   UNL     1      -6.763   0.029  -0.171  1.00  0.00           C  
HETATM   57  O   UNL     1      -6.820   0.813  -1.088  1.00  0.00           O  
HETATM   58  C   UNL     1      -8.031  -0.516   0.435  1.00  0.00           C  
HETATM   59  C   UNL     1      -9.239   0.081  -0.290  1.00  0.00           C  
HETATM   60  C   UNL     1     -10.527  -0.471   0.326  1.00  0.00           C  
HETATM   61  C   UNL     1      -8.051  -2.016   0.295  1.00  0.00           C  
HETATM   62  C   UNL     1      -9.219   1.581  -0.150  1.00  0.00           C  
HETATM   63  C   UNL     1     -11.730   0.026  -0.477  1.00  0.00           C  
HETATM   64  C   UNL     1      -8.115  -2.813   1.423  1.00  0.00           C  
HETATM   65  C   UNL     1      -8.134  -4.189   1.297  1.00  0.00           C  
HETATM   66  C   UNL     1      -8.090  -4.770   0.038  1.00  0.00           C  
HETATM   67  C   UNL     1      -8.026  -3.967  -1.092  1.00  0.00           C  
HETATM   68  C   UNL     1      -8.012  -2.592  -0.961  1.00  0.00           C  
HETATM   69  C   UNL     1      -9.155   2.379  -1.277  1.00  0.00           C  
HETATM   70  C   UNL     1      -9.137   3.754  -1.151  1.00  0.00           C  
HETATM   71  C   UNL     1      -9.182   4.335   0.108  1.00  0.00           C  
HETATM   72  C   UNL     1      -9.246   3.533   1.237  1.00  0.00           C  
HETATM   73  C   UNL     1      -9.270   2.158   1.106  1.00  0.00           C  
HETATM   74  O   UNL     1      -8.108  -6.123  -0.089  1.00  0.00           O  
HETATM   75  O   UNL     1      -9.164   5.688   0.234  1.00  0.00           O  
HETATM   76  H   UNL     1      -0.619  -1.392   0.262  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.646  -0.040   1.420  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.911   1.333  -0.213  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.885  -0.020  -1.370  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.117  -1.433   0.252  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.144  -0.081   1.410  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.410   1.292  -0.223  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.383  -0.060  -1.380  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.073  -0.249   1.491  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.198  -0.186  -1.346  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.501  -1.561   0.304  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.612  -0.130   1.357  1.00  0.00           H  
HETATM   88  H   UNL     1     -11.755   1.116  -0.456  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.645  -0.315  -1.509  1.00  0.00           H  
HETATM   90  H   UNL     1     -12.647  -0.367  -0.039  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.149  -2.361   2.402  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.184  -4.812   2.178  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.991  -4.417  -2.073  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.963  -1.967  -1.840  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.120   1.926  -2.257  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.087   4.377  -2.032  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.282   3.983   2.219  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.320   1.533   1.985  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.996  -6.499  -0.164  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.041   6.096   0.231  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    3    1   29   30                                       
CONECT    3    4   11    2   31                                       
CONECT    4   10    3    5    5                                       
CONECT    5    4    4    6   32                                       
CONECT    6    7    7    5   33                                       
CONECT    7    9    8    6    6                                       
CONECT    8    7   34                                                 
CONECT    9   10   10    7   35                                       
CONECT   10    9    9    4   36                                       
CONECT   11   12    3   19   37                                       
CONECT   12   18   18   13   11                                       
CONECT   13   14   12                                                 
CONECT   14   15   13   38   39                                       
CONECT   15   14   16   40   41                                       
CONECT   16   15   17   42   43                                       
CONECT   17   16   44   45   51                                       
CONECT   18   12   12                                                 
CONECT   19   25   11   20   20                                       
CONECT   20   19   19   21   46                                       
CONECT   21   22   22   20   47                                       
CONECT   22   24   23   21   21                                       
CONECT   23   22   48                                                 
CONECT   24   25   25   22   49                                       
CONECT   25   24   24   19   50                                       
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   17   52   76   77                                       
CONECT   52   51   53   78   79                                       
CONECT   53   52   54   80   81                                       
CONECT   54   53   55   82   83                                       
CONECT   55   54   56                                                 
CONECT   56   55   57   57   58                                       
CONECT   57   56   56                                                 
CONECT   58   56   59   61   84                                       
CONECT   59   58   60   62   85                                       
CONECT   60   59   63   86   87                                       
CONECT   61   58   64   68   68                                       
CONECT   62   59   69   73   73                                       
CONECT   63   60   88   89   90                                       
CONECT   64   61   65   65   91                                       
CONECT   65   64   64   66   92                                       
CONECT   66   65   67   67   74                                       
CONECT   67   66   66   68   93                                       
CONECT   68   67   61   61   94                                       
CONECT   69   62   70   70   95                                       
CONECT   70   69   69   71   96                                       
CONECT   71   70   72   72   75                                       
CONECT   72   71   71   73   97                                       
CONECT   73   72   62   62   98                                       
CONECT   74   66   99                                                 
CONECT   75   71  100                                                 
CONECT   76   51                                                      
CONECT   77   51                                                      
CONECT   78   52                                                      
CONECT   79   52                                                      
CONECT   80   53                                                      
CONECT   81   53                                                      
CONECT   82   54                                                      
CONECT   83   54                                                      
CONECT   84   58                                                      
CONECT   85   59                                                      
CONECT   86   60                                                      
CONECT   87   60                                                      
CONECT   88   63                                                      
CONECT   89   63                                                      
CONECT   90   63                                                      
CONECT   91   64                                                      
CONECT   92   65                                                      
CONECT   93   67                                                      
CONECT   94   68                                                      
CONECT   95   69                                                      
CONECT   96   70                                                      
CONECT   97   72                                                      
CONECT   98   73                                                      
CONECT   99   74                                                      
CONECT  100   75                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
