COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.605   5.882   3.035  1.00  0.00           O  
HETATM    2  C   UNL     1       4.516   4.750   2.563  1.00  0.00           C  
HETATM    3  C   UNL     1       5.255   4.356   1.308  1.00  0.00           C  
HETATM    4  C   UNL     1       4.379   3.508   0.394  1.00  0.00           C  
HETATM    5  C   UNL     1       3.719   3.653   3.254  1.00  0.00           C  
HETATM    6  C   UNL     1       4.322   3.337   4.611  1.00  0.00           C  
HETATM    7  O   UNL     1       3.724   2.460   2.477  1.00  0.00           O  
HETATM    8  C   UNL     1       3.307   2.706   1.137  1.00  0.00           C  
HETATM    9  O   UNL     1       3.091   1.486   0.436  1.00  0.00           O  
HETATM   10  C   UNL     1       2.090   0.691   1.077  1.00  0.00           C  
HETATM   11  C   UNL     1       0.918   0.447   0.118  1.00  0.00           C  
HETATM   12  C   UNL     1       0.346   1.745  -0.441  1.00  0.00           C  
HETATM   13  O   UNL     1       1.341  -0.348  -0.998  1.00  0.00           O  
HETATM   14  C   UNL     1       2.691  -0.644   1.518  1.00  0.00           C  
HETATM   15  O   UNL     1       3.850  -0.412   2.310  1.00  0.00           O  
HETATM   16  C   UNL     1       3.040  -1.514   0.311  1.00  0.00           C  
HETATM   17  C   UNL     1       1.848  -1.635  -0.637  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.370  -4.116  -0.710  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.726  -3.677  -0.610  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.903  -2.529  -1.602  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.368  -2.107  -1.756  1.00  0.00           C  
HETATM   22  O   UNL     1      -6.378  -1.067  -2.744  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.910  -1.510  -0.449  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.134  -0.277  -0.069  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.698  -4.812  -0.848  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.860  -4.639  -1.626  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.180  -3.312  -2.297  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.704  -5.747  -1.840  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.440  -6.986  -1.243  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.321  -7.137  -0.432  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.456  -6.056  -0.235  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.344  -6.174   0.556  1.00  0.00           O  
HETATM   33  C   UNL     1      -8.357  -8.121  -1.477  1.00  0.00           C  
HETATM   34  O   UNL     1      -9.341  -7.988  -2.194  1.00  0.00           O  
HETATM   35  C   UNL     1      -8.070  -9.418  -0.831  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.932 -10.501  -1.041  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.669 -11.729  -0.433  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.550 -11.879   0.383  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.949  -9.569  -0.013  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.032  -8.433   0.216  1.00  0.00           C  
HETATM   41  O   UNL     1      -5.048  -8.565   0.933  1.00  0.00           O  
HETATM   42  C   UNL     1      -6.689 -10.802   0.595  1.00  0.00           C  
HETATM   43  O   UNL     1      -5.614 -11.021   1.405  1.00  0.00           O  
HETATM   44  O   UNL     1       0.852  -2.465  -0.047  1.00  0.00           O  
HETATM   45  C   UNL     1      -2.521  -3.374   0.158  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.651  -2.995  -2.260  1.00  0.00           C  
HETATM   47  O   UNL     1      -9.484  -3.677  -1.677  1.00  0.00           O  
HETATM   48  O   UNL     1      -8.890  -1.853  -2.965  1.00  0.00           O  
HETATM   49  C   UNL     1     -10.257  -1.433  -3.011  1.00  0.00           C  
HETATM   50  O   UNL     1      -2.031  -2.169  -0.431  1.00  0.00           O  
HETATM   51  C   UNL     1      -0.368  -4.526  -0.456  1.00  0.00           C  
HETATM   52  N   UNL     1       0.752  -5.313   0.060  1.00  0.00           N  
HETATM   53  C   UNL     1       1.728  -5.561  -0.999  1.00  0.00           C  
HETATM   54  C   UNL     1       0.270  -6.572   0.622  1.00  0.00           C  
HETATM   55  C   UNL     1      -1.386  -4.268   0.657  1.00  0.00           C  
HETATM   56  C   UNL     1       0.121  -3.194  -1.039  1.00  0.00           C  
HETATM   57  C   UNL     1      -1.052  -2.304  -1.470  1.00  0.00           C  
HETATM   58  C   UNL     1      -1.689  -2.741  -2.787  1.00  0.00           C  
HETATM   59  H   UNL     1      -5.073  -0.498   0.086  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.206   0.499  -0.838  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.540   0.127   0.864  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.827  -2.275   0.314  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.956  -1.281  -0.609  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.094  -0.467  -2.493  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.284  -1.675  -1.295  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.494  -2.813  -2.583  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.875  -3.309   0.412  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.139  -3.079   1.012  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.790  -5.221   1.021  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.890  -3.772   1.502  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.846  -5.109  -1.252  1.00  0.00           H  
HETATM   72  H   UNL     1       0.802  -3.362  -1.880  1.00  0.00           H  
HETATM   73  H   UNL     1       2.168  -2.129  -1.559  1.00  0.00           H  
HETATM   74  H   UNL     1       3.889  -1.064  -0.218  1.00  0.00           H  
HETATM   75  H   UNL     1       3.369  -2.501   0.656  1.00  0.00           H  
HETATM   76  H   UNL     1       1.969  -1.174   2.150  1.00  0.00           H  
HETATM   77  H   UNL     1       3.603   0.248   2.977  1.00  0.00           H  
HETATM   78  H   UNL     1       1.760   1.260   1.953  1.00  0.00           H  
HETATM   79  H   UNL     1       2.352   3.245   1.144  1.00  0.00           H  
HETATM   80  H   UNL     1       3.882   4.145  -0.348  1.00  0.00           H  
HETATM   81  H   UNL     1       5.025   2.842  -0.192  1.00  0.00           H  
HETATM   82  H   UNL     1       5.599   5.252   0.781  1.00  0.00           H  
HETATM   83  H   UNL     1       6.140   3.788   1.618  1.00  0.00           H  
HETATM   84  H   UNL     1       2.685   3.995   3.376  1.00  0.00           H  
HETATM   85  H   UNL     1       4.186   4.177   5.298  1.00  0.00           H  
HETATM   86  H   UNL     1       3.845   2.454   5.048  1.00  0.00           H  
HETATM   87  H   UNL     1       5.394   3.138   4.518  1.00  0.00           H  
HETATM   88  H   UNL     1       0.109  -0.081   0.638  1.00  0.00           H  
HETATM   89  H   UNL     1       0.828   2.002  -1.389  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.730   1.647  -0.617  1.00  0.00           H  
HETATM   91  H   UNL     1       0.506   2.570   0.261  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.671  -1.288  -1.632  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.048  -3.772  -2.716  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.538  -2.097  -3.036  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.962  -2.685  -3.602  1.00  0.00           H  
HETATM   96  H   UNL     1       2.653  -5.018  -0.792  1.00  0.00           H  
HETATM   97  H   UNL     1       1.332  -5.229  -1.963  1.00  0.00           H  
HETATM   98  H   UNL     1       1.953  -6.629  -1.062  1.00  0.00           H  
HETATM   99  H   UNL     1       0.981  -6.950   1.362  1.00  0.00           H  
HETATM  100  H   UNL     1       0.155  -7.319  -0.168  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.698  -6.424   1.108  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.546  -6.109   0.013  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.795 -11.004   0.885  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.344 -12.834   0.857  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.338 -12.569  -0.596  1.00  0.00           H  
HETATM  106  H   UNL     1      -9.812 -10.409  -1.672  1.00  0.00           H  
HETATM  107  H   UNL     1      -8.576  -5.633  -2.480  1.00  0.00           H  
HETATM  108  H   UNL     1      -6.943  -3.436  -3.364  1.00  0.00           H  
HETATM  109  H   UNL     1     -10.385  -0.691  -3.803  1.00  0.00           H  
HETATM  110  H   UNL     1     -10.541  -1.005  -2.047  1.00  0.00           H  
HETATM  111  H   UNL     1     -10.888  -2.300  -3.223  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    3    2    4   82   83                                       
CONECT    4    3    8   80   81                                       
CONECT    5    2    6    7   84                                       
CONECT    6    5   85   86   87                                       
CONECT    7    5    8                                                 
CONECT    8    4    7    9   79                                       
CONECT    9    8   10                                                 
CONECT   10    9   14   11   78                                       
CONECT   11   10   12   13   88                                       
CONECT   12   11   89   90   91                                       
CONECT   13   11   17                                                 
CONECT   14   10   16   15   76                                       
CONECT   15   14   77                                                 
CONECT   16   14   17   74   75                                       
CONECT   17   13   16   44   73                                       
CONECT   18   19   45                                                 
CONECT   19   18   20   25   67                                       
CONECT   20   19   21   65   66                                       
CONECT   21   20   23   22   27                                       
CONECT   22   21   64                                                 
CONECT   23   21   24   62   63                                       
CONECT   24   23   59   60   61                                       
CONECT   25   19   31   31   26                                       
CONECT   26   25   28   28   27                                       
CONECT   27   21   26   46  108                                       
CONECT   28   26   26   29  107                                       
CONECT   29   28   33   30   30                                       
CONECT   30   29   29   31   40                                       
CONECT   31   25   25   30   32                                       
CONECT   32   31  102                                                 
CONECT   33   29   35   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   36   39                                       
CONECT   36   35   35   37  106                                       
CONECT   37   36   38   38  105                                       
CONECT   38   37   37   42  104                                       
CONECT   39   35   40   42   42                                       
CONECT   40   30   39   41   41                                       
CONECT   41   40   40                                                 
CONECT   42   38   39   39   43                                       
CONECT   43   42  103                                                 
CONECT   44   17   56                                                 
CONECT   45   18   55   50   68                                       
CONECT   46   27   47   47   48                                       
CONECT   47   46   46                                                 
CONECT   48   46   49                                                 
CONECT   49   48  109  110  111                                       
CONECT   50   45   57                                                 
CONECT   51   55   56   52   71                                       
CONECT   52   51   53   54                                            
CONECT   53   52   96   97   98                                       
CONECT   54   52   99  100  101                                       
CONECT   55   45   51   69   70                                       
CONECT   56   44   51   57   72                                       
CONECT   57   50   56   58   92                                       
CONECT   58   57   93   94   95                                       
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   22                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   19                                                      
CONECT   68   45                                                      
CONECT   69   55                                                      
CONECT   70   55                                                      
CONECT   71   51                                                      
CONECT   72   56                                                      
CONECT   73   17                                                      
CONECT   74   16                                                      
CONECT   75   16                                                      
CONECT   76   14                                                      
CONECT   77   15                                                      
CONECT   78   10                                                      
CONECT   79    8                                                      
CONECT   80    4                                                      
CONECT   81    4                                                      
CONECT   82    3                                                      
CONECT   83    3                                                      
CONECT   84    5                                                      
CONECT   85    6                                                      
CONECT   86    6                                                      
CONECT   87    6                                                      
CONECT   88   11                                                      
CONECT   89   12                                                      
CONECT   90   12                                                      
CONECT   91   12                                                      
CONECT   92   57                                                      
CONECT   93   58                                                      
CONECT   94   58                                                      
CONECT   95   58                                                      
CONECT   96   53                                                      
CONECT   97   53                                                      
CONECT   98   53                                                      
CONECT   99   54                                                      
CONECT  100   54                                                      
CONECT  101   54                                                      
CONECT  102   32                                                      
CONECT  103   43                                                      
CONECT  104   38                                                      
CONECT  105   37                                                      
CONECT  106   36                                                      
CONECT  107   28                                                      
CONECT  108   27                                                      
CONECT  109   49                                                      
CONECT  110   49                                                      
CONECT  111   49                                                      
MASTER        0    0    0    0    0    0    0    0  111    0  111    0
END
