COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.970  -0.428   1.577  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.661   0.670   0.731  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.152  -2.149   1.569  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.894   1.010   1.571  1.00  0.00           C  
HETATM    5  C   UNL     1       0.089  -2.646   0.809  1.00  0.00           C  
HETATM    6  C   UNL     1       2.471  -1.895   0.362  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.266  -0.317   2.282  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.437  -1.663  -0.499  1.00  0.00           C  
HETATM    9  C   UNL     1       0.269  -0.806  -1.628  1.00  0.00           C  
HETATM   10  C   UNL     1       2.789   0.381  -0.717  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.837  -1.039   0.770  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.852   0.082   0.448  1.00  0.00           C  
HETATM   13  C   UNL     1       0.464  -0.378  -0.179  1.00  0.00           C  
HETATM   14  C   UNL     1       1.060  -1.472   0.697  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.503   1.209  -0.342  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.694   1.795   0.447  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.168  -1.344   1.882  1.00  0.00           C  
HETATM   18  C   UNL     1       1.436   0.818  -0.164  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.465   0.148   2.906  1.00  0.00           C  
HETATM   20  C   UNL     1       3.403  -0.700   0.162  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.044   1.455   0.663  1.00  0.00           C  
HETATM   22  C   UNL     1       2.542  -2.823  -0.851  1.00  0.00           C  
HETATM   23  C   UNL     1       3.036  -2.686   1.569  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.403   0.320  -0.298  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.263   1.804   1.519  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.575   0.753  -1.182  1.00  0.00           C  
HETATM   27  C   UNL     1       5.782  -0.431  -0.020  1.00  0.00           C  
HETATM   28  C   UNL     1       7.033  -1.079  -0.619  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.929  -0.365  -2.129  1.00  0.00           C  
HETATM   30  C   UNL     1       8.264  -0.260  -0.219  1.00  0.00           C  
HETATM   31  C   UNL     1       6.785   1.746  -0.087  1.00  0.00           C  
HETATM   32  C   UNL     1       8.077   1.186  -0.688  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.154  -0.825  -2.170  1.00  0.00           C  
HETATM   34  C   UNL     1       6.560   3.170  -0.598  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.210  -0.237  -1.270  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.508  -1.943  -3.117  1.00  0.00           C  
HETATM   37  O   UNL     1      -3.332   2.796  -0.357  1.00  0.00           O  
HETATM   38  O   UNL     1       4.624  -1.157  -0.435  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.642   2.604  -0.085  1.00  0.00           O  
HETATM   40  O   UNL     1       5.684   0.921  -0.472  1.00  0.00           O  
HETATM   41  O   UNL     1       7.165  -2.413  -0.123  1.00  0.00           O  
HETATM   42  O   UNL     1       9.428  -0.815  -0.834  1.00  0.00           O  
HETATM   43  O   UNL     1       9.187   1.976  -0.257  1.00  0.00           O  
HETATM   44  O   UNL     1       5.419   3.734   0.051  1.00  0.00           O  
HETATM   45  H   UNL     1      -4.020   0.262  -0.219  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.843  -2.982   1.699  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.830  -1.784   2.541  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.662   1.785   2.295  1.00  0.00           H  
HETATM   49  H   UNL     1       0.538  -3.453   1.392  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.189  -3.028  -0.163  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.281  -0.179   3.361  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.240  -0.664   1.935  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.800  -0.873  -1.156  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.672  -2.242  -1.016  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.265  -2.317  -0.226  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.269  -0.027  -2.167  1.00  0.00           H  
HETATM   57  H   UNL     1       1.242  -0.965  -2.093  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.304  -1.732  -1.659  1.00  0.00           H  
HETATM   59  H   UNL     1       2.706   0.041  -1.744  1.00  0.00           H  
HETATM   60  H   UNL     1       3.460   1.255  -0.715  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.538   0.540   1.412  1.00  0.00           H  
HETATM   62  H   UNL     1       1.108  -1.032   1.729  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.775   2.006  -0.500  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.859   0.856  -1.304  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.337   2.255   1.365  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.484  -1.914   1.016  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.937  -2.001   2.721  1.00  0.00           H  
HETATM   68  H   UNL     1       1.551   1.164   0.863  1.00  0.00           H  
HETATM   69  H   UNL     1       1.028   1.617  -0.780  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.725   0.923   2.708  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.302   0.577   3.458  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.010  -0.647   3.497  1.00  0.00           H  
HETATM   73  H   UNL     1       3.642  -0.273   1.143  1.00  0.00           H  
HETATM   74  H   UNL     1       1.855  -3.657  -0.710  1.00  0.00           H  
HETATM   75  H   UNL     1       2.264  -2.270  -1.748  1.00  0.00           H  
HETATM   76  H   UNL     1       3.558  -3.203  -0.958  1.00  0.00           H  
HETATM   77  H   UNL     1       4.067  -2.974   1.363  1.00  0.00           H  
HETATM   78  H   UNL     1       3.005  -2.060   2.460  1.00  0.00           H  
HETATM   79  H   UNL     1       2.434  -3.580   1.731  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.542   0.088  -0.924  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.686  -0.564   0.273  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.018   2.636   2.178  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.093   2.086   0.871  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.547   0.938   2.117  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.436   0.985  -0.556  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.292   1.637  -1.753  1.00  0.00           H  
HETATM   87  H   UNL     1       5.850  -0.447   1.068  1.00  0.00           H  
HETATM   88  H   UNL     1       6.947  -1.101  -1.706  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.172  -0.786  -2.774  1.00  0.00           H  
HETATM   90  H   UNL     1       8.378  -0.280   0.865  1.00  0.00           H  
HETATM   91  H   UNL     1       6.867   1.759   1.000  1.00  0.00           H  
HETATM   92  H   UNL     1       8.012   1.210  -1.776  1.00  0.00           H  
HETATM   93  H   UNL     1       7.438   3.778  -0.382  1.00  0.00           H  
HETATM   94  H   UNL     1       6.390   3.147  -1.675  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.321   0.825  -1.485  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.159  -0.744  -1.444  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.914  -0.368  -0.229  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.359  -2.901  -2.620  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.552  -1.848  -3.417  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.870  -1.888  -3.999  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.753   3.532  -0.600  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.108   2.399  -0.864  1.00  0.00           H  
HETATM  103  H   UNL     1       6.416  -2.987  -0.336  1.00  0.00           H  
HETATM  104  H   UNL     1       9.608  -1.731  -0.581  1.00  0.00           H  
HETATM  105  H   UNL     1      10.040   1.674  -0.597  1.00  0.00           H  
HETATM  106  H   UNL     1       5.216   4.639  -0.226  1.00  0.00           H  
CONECT    1    2   19   11   17                                       
CONECT    2   16    4    1   45                                       
CONECT    3   11    5   46   47                                       
CONECT    4   21    2    7   48                                       
CONECT    5   14    3   49   50                                       
CONECT    6   20   14   22   23                                       
CONECT    7    4   17   51   52                                       
CONECT    8   11   53   54   55                                       
CONECT    9   13   56   57   58                                       
CONECT   10   18   20   59   60                                       
CONECT   11   12    1    8    3                                       
CONECT   12   15   13   11   61                                       
CONECT   13   18   12    9   14                                       
CONECT   14   13    6    5   62                                       
CONECT   15   16   12   63   64                                       
CONECT   16   37   15    2   65                                       
CONECT   17    7    1   66   67                                       
CONECT   18   10   13   68   69                                       
CONECT   19    1   70   71   72                                       
CONECT   20   10   38    6   73                                       
CONECT   21   39   24   25    4                                       
CONECT   22    6   74   75   76                                       
CONECT   23    6   77   78   79                                       
CONECT   24   26   21   80   81                                       
CONECT   25   21   82   83   84                                       
CONECT   26   29   24   85   86                                       
CONECT   27   28   38   40   87                                       
CONECT   28   30   41   27   88                                       
CONECT   29   33   33   26   89                                       
CONECT   30   42   32   28   90                                       
CONECT   31   32   34   40   91                                       
CONECT   32   43   30   31   92                                       
CONECT   33   35   36   29   29                                       
CONECT   34   44   31   93   94                                       
CONECT   35   33   95   96   97                                       
CONECT   36   33   98   99  100                                       
CONECT   37   16  101                                                 
CONECT   38   20   27                                                 
CONECT   39   21  102                                                 
CONECT   40   31   27                                                 
CONECT   41   28  103                                                 
CONECT   42   30  104                                                 
CONECT   43   32  105                                                 
CONECT   44   34  106                                                 
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   12                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   26                                                      
CONECT   86   26                                                      
CONECT   87   27                                                      
CONECT   88   28                                                      
CONECT   89   29                                                      
CONECT   90   30                                                      
CONECT   91   31                                                      
CONECT   92   32                                                      
CONECT   93   34                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   36                                                      
CONECT   99   36                                                      
CONECT  100   36                                                      
CONECT  101   37                                                      
CONECT  102   39                                                      
CONECT  103   41                                                      
CONECT  104   42                                                      
CONECT  105   43                                                      
CONECT  106   44                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
