COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.925   0.544  -7.189  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.326   0.295  -6.628  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.540  -1.214  -6.469  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.244  -1.893  -7.811  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.848  -1.479  -8.282  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.528  -2.180  -9.604  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.802  -0.066  -8.471  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.453   0.934  -5.356  1.00  0.00           O  
HETATM    9  O   UNL     1      -5.893  -1.469  -6.088  1.00  0.00           O  
HETATM   10  O   UNL     1      -4.293  -3.312  -7.650  1.00  0.00           O  
HETATM   11  C   UNL     1       1.760   1.614  -5.582  1.00  0.00           C  
HETATM   12  C   UNL     1       0.710   2.616  -6.065  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.683   2.004  -5.885  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.714   0.640  -6.583  1.00  0.00           C  
HETATM   15  C   UNL     1       0.444  -0.213  -6.062  1.00  0.00           C  
HETATM   16  C   UNL     1       0.403  -1.589  -6.730  1.00  0.00           C  
HETATM   17  O   UNL     1       1.685   0.422  -6.361  1.00  0.00           O  
HETATM   18  O   UNL     1       0.806   3.819  -5.300  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.666   2.863  -6.468  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.953  -0.013  -6.302  1.00  0.00           O  
HETATM   21  O   UNL     1       1.503  -2.376  -6.266  1.00  0.00           O  
HETATM   22  C   UNL     1       3.967   0.629  -0.906  1.00  0.00           C  
HETATM   23  C   UNL     1       4.008   2.032  -1.515  1.00  0.00           C  
HETATM   24  C   UNL     1       2.735   2.238  -2.346  1.00  0.00           C  
HETATM   25  C   UNL     1       2.790   1.303  -3.555  1.00  0.00           C  
HETATM   26  C   UNL     1       3.126  -0.090  -3.112  1.00  0.00           C  
HETATM   27  C   UNL     1       2.846  -1.219  -4.070  1.00  0.00           C  
HETATM   28  C   UNL     1       3.644  -0.383  -1.964  1.00  0.00           C  
HETATM   29  O   UNL     1       4.066   3.010  -0.474  1.00  0.00           O  
HETATM   30  O   UNL     1       2.661   3.594  -2.790  1.00  0.00           O  
HETATM   31  O   UNL     1       1.519   1.299  -4.209  1.00  0.00           O  
HETATM   32  O   UNL     1       3.339  -2.443  -3.521  1.00  0.00           O  
HETATM   33  C   UNL     1       2.940  -1.788   3.552  1.00  0.00           C  
HETATM   34  C   UNL     1       4.297  -1.168   3.210  1.00  0.00           C  
HETATM   35  C   UNL     1       4.087  -0.016   2.221  1.00  0.00           C  
HETATM   36  C   UNL     1       3.284  -0.537   1.024  1.00  0.00           C  
HETATM   37  C   UNL     1       2.004  -1.204   1.532  1.00  0.00           C  
HETATM   38  C   UNL     1       1.182  -1.700   0.341  1.00  0.00           C  
HETATM   39  O   UNL     1       2.335  -2.309   2.371  1.00  0.00           O  
HETATM   40  O   UNL     1       4.911  -0.673   4.401  1.00  0.00           O  
HETATM   41  O   UNL     1       5.354   0.474   1.780  1.00  0.00           O  
HETATM   42  N   UNL     1       2.937   0.582   0.139  1.00  0.00           N  
HETATM   43  C   UNL     1      -1.280  -1.504   6.371  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.207  -2.590   6.470  1.00  0.00           C  
HETATM   45  C   UNL     1       1.123  -2.026   5.958  1.00  0.00           C  
HETATM   46  C   UNL     1       0.904  -1.450   4.554  1.00  0.00           C  
HETATM   47  C   UNL     1      -0.254  -0.451   4.598  1.00  0.00           C  
HETATM   48  C   UNL     1      -0.460   0.151   3.207  1.00  0.00           C  
HETATM   49  O   UNL     1      -1.448  -1.113   5.010  1.00  0.00           O  
HETATM   50  O   UNL     1      -0.060  -2.998   7.831  1.00  0.00           O  
HETATM   51  O   UNL     1       2.099  -3.068   5.902  1.00  0.00           O  
HETATM   52  O   UNL     1       2.092  -0.787   4.119  1.00  0.00           O  
HETATM   53  O   UNL     1      -1.366   1.252   3.295  1.00  0.00           O  
HETATM   54  C   UNL     1      -3.399   2.339   8.954  1.00  0.00           C  
HETATM   55  C   UNL     1      -3.945   0.912   8.884  1.00  0.00           C  
HETATM   56  C   UNL     1      -2.790  -0.053   8.597  1.00  0.00           C  
HETATM   57  C   UNL     1      -2.050   0.426   7.343  1.00  0.00           C  
HETATM   58  C   UNL     1      -1.647   1.890   7.529  1.00  0.00           C  
HETATM   59  C   UNL     1      -0.881   2.368   6.294  1.00  0.00           C  
HETATM   60  O   UNL     1      -2.813   2.694   7.703  1.00  0.00           O  
HETATM   61  O   UNL     1      -4.556   0.572  10.131  1.00  0.00           O  
HETATM   62  O   UNL     1      -3.306  -1.368   8.383  1.00  0.00           O  
HETATM   63  O   UNL     1      -0.881  -0.370   7.144  1.00  0.00           O  
HETATM   64  O   UNL     1      -4.466   3.242   9.251  1.00  0.00           O  
HETATM   65  H   UNL     1      -2.757   1.617  -7.282  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.071   0.699  -7.314  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.865  -1.600  -5.706  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.985  -1.584  -8.548  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.112  -1.768  -7.531  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.533  -1.888  -9.939  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.561  -3.260  -9.459  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.263  -1.892 -10.355  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.305   1.878  -5.501  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.037  -1.013  -5.247  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.102  -3.698  -8.515  1.00  0.00           H  
HETATM   76  H   UNL     1       2.753   2.052  -5.684  1.00  0.00           H  
HETATM   77  H   UNL     1       0.877   2.840  -7.119  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.893   1.877  -4.823  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.610   0.778  -7.659  1.00  0.00           H  
HETATM   80  H   UNL     1       0.348  -0.331  -4.983  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.531  -2.088  -6.478  1.00  0.00           H  
HETATM   82  H   UNL     1       0.472  -1.471  -7.811  1.00  0.00           H  
HETATM   83  H   UNL     1       1.696   4.170  -5.442  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.612   3.707  -6.001  1.00  0.00           H  
HETATM   85  H   UNL     1       1.486  -3.202  -6.768  1.00  0.00           H  
HETATM   86  H   UNL     1       4.938   0.397  -0.468  1.00  0.00           H  
HETATM   87  H   UNL     1       4.884   2.128  -2.157  1.00  0.00           H  
HETATM   88  H   UNL     1       1.860   2.003  -1.740  1.00  0.00           H  
HETATM   89  H   UNL     1       3.553   1.655  -4.250  1.00  0.00           H  
HETATM   90  H   UNL     1       1.771  -1.301  -4.232  1.00  0.00           H  
HETATM   91  H   UNL     1       3.343  -1.022  -5.020  1.00  0.00           H  
HETATM   92  H   UNL     1       3.855  -1.421  -1.753  1.00  0.00           H  
HETATM   93  H   UNL     1       4.075   3.876  -0.905  1.00  0.00           H  
HETATM   94  H   UNL     1       2.629   4.147  -1.997  1.00  0.00           H  
HETATM   95  H   UNL     1       3.212  -3.124  -4.196  1.00  0.00           H  
HETATM   96  H   UNL     1       3.081  -2.593   4.273  1.00  0.00           H  
HETATM   97  H   UNL     1       4.939  -1.924   2.756  1.00  0.00           H  
HETATM   98  H   UNL     1       3.533   0.787   2.708  1.00  0.00           H  
HETATM   99  H   UNL     1       3.881  -1.265   0.474  1.00  0.00           H  
HETATM  100  H   UNL     1       1.419  -0.481   2.100  1.00  0.00           H  
HETATM  101  H   UNL     1       0.241  -2.119   0.698  1.00  0.00           H  
HETATM  102  H   UNL     1       0.977  -0.867  -0.331  1.00  0.00           H  
HETATM  103  H   UNL     1       1.742  -2.468  -0.192  1.00  0.00           H  
HETATM  104  H   UNL     1       5.019  -1.428   4.995  1.00  0.00           H  
HETATM  105  H   UNL     1       5.825   0.780   2.567  1.00  0.00           H  
HETATM  106  H   UNL     1       3.039   1.425   0.685  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.223  -1.891   6.756  1.00  0.00           H  
HETATM  108  H   UNL     1      -0.497  -3.447   5.862  1.00  0.00           H  
HETATM  109  H   UNL     1       1.467  -1.237   6.627  1.00  0.00           H  
HETATM  110  H   UNL     1       0.662  -2.258   3.863  1.00  0.00           H  
HETATM  111  H   UNL     1      -0.017   0.343   5.306  1.00  0.00           H  
HETATM  112  H   UNL     1       0.496   0.498   2.816  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.872  -0.605   2.540  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.918  -3.346   8.113  1.00  0.00           H  
HETATM  115  H   UNL     1       2.206  -3.400   6.804  1.00  0.00           H  
HETATM  116  H   UNL     1      -1.407   1.652   2.415  1.00  0.00           H  
HETATM  117  H   UNL     1      -2.644   2.401   9.738  1.00  0.00           H  
HETATM  118  H   UNL     1      -4.684   0.842   8.086  1.00  0.00           H  
HETATM  119  H   UNL     1      -2.103  -0.063   9.443  1.00  0.00           H  
HETATM  120  H   UNL     1      -2.705   0.335   6.476  1.00  0.00           H  
HETATM  121  H   UNL     1      -1.010   1.981   8.409  1.00  0.00           H  
HETATM  122  H   UNL     1      -0.669   3.433   6.387  1.00  0.00           H  
HETATM  123  H   UNL     1       0.055   1.816   6.212  1.00  0.00           H  
HETATM  124  H   UNL     1      -1.484   2.194   5.403  1.00  0.00           H  
HETATM  125  H   UNL     1      -5.272   1.207  10.273  1.00  0.00           H  
HETATM  126  H   UNL     1      -3.771  -1.621   9.193  1.00  0.00           H  
HETATM  127  H   UNL     1      -4.081   4.128   9.291  1.00  0.00           H  
CONECT    1    2    7   20   65                                       
CONECT    2    1    3    8   66                                       
CONECT    3    2    4    9   67                                       
CONECT    4    3    5   10   68                                       
CONECT    5    4    6    7   69                                       
CONECT    6    5   70   71   72                                       
CONECT    7    1    5                                                 
CONECT    8    2   73                                                 
CONECT    9    3   74                                                 
CONECT   10    4   75                                                 
CONECT   11   12   17   31   76                                       
CONECT   12   11   13   18   77                                       
CONECT   13   12   14   19   78                                       
CONECT   14   13   15   20   79                                       
CONECT   15   14   16   17   80                                       
CONECT   16   15   21   81   82                                       
CONECT   17   11   15                                                 
CONECT   18   12   83                                                 
CONECT   19   13   84                                                 
CONECT   20    1   14                                                 
CONECT   21   16   85                                                 
CONECT   22   23   28   42   86                                       
CONECT   23   22   24   29   87                                       
CONECT   24   23   25   30   88                                       
CONECT   25   24   26   31   89                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26   32   90   91                                       
CONECT   28   22   26   26   92                                       
CONECT   29   23   93                                                 
CONECT   30   24   94                                                 
CONECT   31   11   25                                                 
CONECT   32   27   95                                                 
CONECT   33   34   39   52   96                                       
CONECT   34   33   35   40   97                                       
CONECT   35   34   36   41   98                                       
CONECT   36   35   37   42   99                                       
CONECT   37   36   38   39  100                                       
CONECT   38   37  101  102  103                                       
CONECT   39   33   37                                                 
CONECT   40   34  104                                                 
CONECT   41   35  105                                                 
CONECT   42   22   36  106                                            
CONECT   43   44   49   63  107                                       
CONECT   44   43   45   50  108                                       
CONECT   45   44   46   51  109                                       
CONECT   46   45   47   52  110                                       
CONECT   47   46   48   49  111                                       
CONECT   48   47   53  112  113                                       
CONECT   49   43   47                                                 
CONECT   50   44  114                                                 
CONECT   51   45  115                                                 
CONECT   52   33   46                                                 
CONECT   53   48  116                                                 
CONECT   54   55   60   64  117                                       
CONECT   55   54   56   61  118                                       
CONECT   56   55   57   62  119                                       
CONECT   57   56   58   63  120                                       
CONECT   58   57   59   60  121                                       
CONECT   59   58  122  123  124                                       
CONECT   60   54   58                                                 
CONECT   61   55  125                                                 
CONECT   62   56  126                                                 
CONECT   63   43   57                                                 
CONECT   64   54  127                                                 
CONECT   65    1                                                      
CONECT   66    2                                                      
CONECT   67    3                                                      
CONECT   68    4                                                      
CONECT   69    5                                                      
CONECT   70    6                                                      
CONECT   71    6                                                      
CONECT   72    6                                                      
CONECT   73    8                                                      
CONECT   74    9                                                      
CONECT   75   10                                                      
CONECT   76   11                                                      
CONECT   77   12                                                      
CONECT   78   13                                                      
CONECT   79   14                                                      
CONECT   80   15                                                      
CONECT   81   16                                                      
CONECT   82   16                                                      
CONECT   83   18                                                      
CONECT   84   19                                                      
CONECT   85   21                                                      
CONECT   86   22                                                      
CONECT   87   23                                                      
CONECT   88   24                                                      
CONECT   89   25                                                      
CONECT   90   27                                                      
CONECT   91   27                                                      
CONECT   92   28                                                      
CONECT   93   29                                                      
CONECT   94   30                                                      
CONECT   95   32                                                      
CONECT   96   33                                                      
CONECT   97   34                                                      
CONECT   98   35                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   38                                                      
CONECT  102   38                                                      
CONECT  103   38                                                      
CONECT  104   40                                                      
CONECT  105   41                                                      
CONECT  106   42                                                      
CONECT  107   43                                                      
CONECT  108   44                                                      
CONECT  109   45                                                      
CONECT  110   46                                                      
CONECT  111   47                                                      
CONECT  112   48                                                      
CONECT  113   48                                                      
CONECT  114   50                                                      
CONECT  115   51                                                      
CONECT  116   53                                                      
CONECT  117   54                                                      
CONECT  118   55                                                      
CONECT  119   56                                                      
CONECT  120   57                                                      
CONECT  121   58                                                      
CONECT  122   59                                                      
CONECT  123   59                                                      
CONECT  124   59                                                      
CONECT  125   61                                                      
CONECT  126   62                                                      
CONECT  127   64                                                      
MASTER        0    0    0    0    0    0    0    0  127    0  127    0
END
