COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.021  -1.495  -0.133  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.359  -2.929  -0.551  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.195  -2.894  -1.835  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.448  -2.048  -1.592  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.029  -0.648  -1.133  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.276   0.184  -0.831  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.109   0.427   2.363  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.959   0.729   1.814  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.511   2.104   1.352  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.023   1.933   0.948  1.00  0.00           C  
HETATM   11  C   UNL     1       0.002   0.487   0.411  1.00  0.00           C  
HETATM   12  C   UNL     1       0.344   2.908  -0.152  1.00  0.00           C  
HETATM   13  C   UNL     1       1.863   2.870  -0.390  1.00  0.00           C  
HETATM   14  C   UNL     1       2.541   3.284   0.914  1.00  0.00           C  
HETATM   15  C   UNL     1       3.974   3.723   0.722  1.00  0.00           C  
HETATM   16  C   UNL     1       3.969   5.037  -0.099  1.00  0.00           C  
HETATM   17  C   UNL     1       4.796   2.728  -0.051  1.00  0.00           C  
HETATM   18  O   UNL     1       6.091   2.979  -0.303  1.00  0.00           O  
HETATM   19  O   UNL     1       4.292   1.704  -0.445  1.00  0.00           O  
HETATM   20  C   UNL     1       4.657   4.052   2.048  1.00  0.00           C  
HETATM   21  C   UNL     1       4.426   2.975   3.099  1.00  0.00           C  
HETATM   22  C   UNL     1       2.932   2.740   3.302  1.00  0.00           C  
HETATM   23  C   UNL     1       2.304   2.233   1.992  1.00  0.00           C  
HETATM   24  C   UNL     1       2.929   0.884   1.651  1.00  0.00           C  
HETATM   25  C   UNL     1       0.801   2.086   2.210  1.00  0.00           C  
HETATM   26  C   UNL     1       0.441   1.062   3.272  1.00  0.00           C  
HETATM   27  C   UNL     1       0.097  -0.319   2.740  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.820  -0.234   1.515  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.289  -1.518   1.095  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.230  -0.755   0.047  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.890   1.524  -0.516  1.00  0.00           O  
HETATM   32  O   UNL     1      -5.200  -1.949  -2.803  1.00  0.00           O  
HETATM   33  O   UNL     1      -3.577  -4.223  -2.192  1.00  0.00           O  
HETATM   34  O   UNL     1      -1.151  -3.655  -0.787  1.00  0.00           O  
HETATM   35  C   UNL     1      -1.253  -5.055  -0.519  1.00  0.00           C  
HETATM   36  O   UNL     1      -1.487  -5.257   0.876  1.00  0.00           O  
HETATM   37  C   UNL     1      -1.632  -6.629   1.251  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.905  -6.721   2.754  1.00  0.00           C  
HETATM   39  O   UNL     1      -3.165  -6.115   3.047  1.00  0.00           O  
HETATM   40  C   UNL     1      -0.343  -7.385   0.919  1.00  0.00           C  
HETATM   41  O   UNL     1      -0.505  -8.768   1.239  1.00  0.00           O  
HETATM   42  C   UNL     1      -0.044  -7.238  -0.576  1.00  0.00           C  
HETATM   43  O   UNL     1       1.196  -7.879  -0.881  1.00  0.00           O  
HETATM   44  C   UNL     1       0.051  -5.748  -0.922  1.00  0.00           C  
HETATM   45  O   UNL     1       0.257  -5.597  -2.328  1.00  0.00           O  
HETATM   46  C   UNL     1       8.235   2.486  -1.348  1.00  0.00           C  
HETATM   47  C   UNL     1       9.020   1.398  -2.087  1.00  0.00           C  
HETATM   48  C   UNL     1       9.029   0.124  -1.237  1.00  0.00           C  
HETATM   49  C   UNL     1       7.586  -0.297  -0.947  1.00  0.00           C  
HETATM   50  C   UNL     1       7.587  -1.535  -0.048  1.00  0.00           C  
HETATM   51  C   UNL     1       6.823   1.974  -1.053  1.00  0.00           C  
HETATM   52  O   UNL     1       8.158   3.658  -2.163  1.00  0.00           O  
HETATM   53  O   UNL     1      10.362   1.839  -2.302  1.00  0.00           O  
HETATM   54  O   UNL     1       9.697  -0.920  -1.949  1.00  0.00           O  
HETATM   55  O   UNL     1       6.904   0.771  -0.286  1.00  0.00           O  
HETATM   56  O   UNL     1       6.246  -1.996   0.128  1.00  0.00           O  
HETATM   57  C   UNL     1      -5.453   3.755   0.226  1.00  0.00           C  
HETATM   58  C   UNL     1      -6.634   4.695   0.488  1.00  0.00           C  
HETATM   59  C   UNL     1      -7.489   4.788  -0.780  1.00  0.00           C  
HETATM   60  C   UNL     1      -7.944   3.383  -1.183  1.00  0.00           C  
HETATM   61  C   UNL     1      -8.749   3.460  -2.482  1.00  0.00           C  
HETATM   62  C   UNL     1      -5.987   2.389  -0.216  1.00  0.00           C  
HETATM   63  O   UNL     1      -4.688   3.604   1.424  1.00  0.00           O  
HETATM   64  O   UNL     1      -6.144   5.993   0.832  1.00  0.00           O  
HETATM   65  O   UNL     1      -8.633   5.605  -0.525  1.00  0.00           O  
HETATM   66  O   UNL     1      -6.799   2.551  -1.381  1.00  0.00           O  
HETATM   67  O   UNL     1      -9.271   2.168  -2.796  1.00  0.00           O  
HETATM   68  H   UNL     1      -1.417  -1.024  -0.908  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.928  -3.415   0.242  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.607  -2.454  -2.640  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.060  -2.516  -0.821  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.451  -0.165  -1.921  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.929   0.191  -1.704  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.807  -0.250   0.016  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.881   1.178   2.448  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.286  -0.573   2.731  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.084   2.427   0.487  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.585   2.826   2.162  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.528   0.429  -0.552  1.00  0.00           H  
HETATM   80  H   UNL     1       0.993   0.073   0.301  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.173   2.631  -1.070  1.00  0.00           H  
HETATM   82  H   UNL     1       0.050   3.915   0.144  1.00  0.00           H  
HETATM   83  H   UNL     1       2.156   1.867  -0.683  1.00  0.00           H  
HETATM   84  H   UNL     1       2.106   3.566  -1.190  1.00  0.00           H  
HETATM   85  H   UNL     1       1.983   4.194   1.258  1.00  0.00           H  
HETATM   86  H   UNL     1       3.412   5.802   0.442  1.00  0.00           H  
HETATM   87  H   UNL     1       4.995   5.374  -0.251  1.00  0.00           H  
HETATM   88  H   UNL     1       3.498   4.860  -1.066  1.00  0.00           H  
HETATM   89  H   UNL     1       5.734   4.160   1.874  1.00  0.00           H  
HETATM   90  H   UNL     1       4.276   5.009   2.418  1.00  0.00           H  
HETATM   91  H   UNL     1       4.935   2.055   2.825  1.00  0.00           H  
HETATM   92  H   UNL     1       4.854   3.318   4.053  1.00  0.00           H  
HETATM   93  H   UNL     1       2.780   1.999   4.084  1.00  0.00           H  
HETATM   94  H   UNL     1       2.448   3.675   3.584  1.00  0.00           H  
HETATM   95  H   UNL     1       4.015   0.978   1.649  1.00  0.00           H  
HETATM   96  H   UNL     1       2.629   0.147   2.395  1.00  0.00           H  
HETATM   97  H   UNL     1       2.590   0.565   0.666  1.00  0.00           H  
HETATM   98  H   UNL     1       0.488   3.070   2.649  1.00  0.00           H  
HETATM   99  H   UNL     1       1.266   0.972   3.983  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.422   1.442   3.836  1.00  0.00           H  
HETATM  101  H   UNL     1       1.007  -0.860   2.479  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.416  -0.886   3.526  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.494  -2.801  -3.154  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.110  -4.276  -2.998  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.080  -5.475  -1.091  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.464  -7.070   0.702  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.927  -7.768   3.055  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.117  -6.202   3.299  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.404  -6.137   3.983  1.00  0.00           H  
HETATM  110  H   UNL     1       0.482  -6.971   1.498  1.00  0.00           H  
HETATM  111  H   UNL     1       0.275  -9.309   1.054  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.845  -7.698  -1.155  1.00  0.00           H  
HETATM  113  H   UNL     1       1.448  -7.824  -1.813  1.00  0.00           H  
HETATM  114  H   UNL     1       0.884  -5.300  -0.381  1.00  0.00           H  
HETATM  115  H   UNL     1       0.322  -4.677  -2.619  1.00  0.00           H  
HETATM  116  H   UNL     1       8.739   2.726  -0.412  1.00  0.00           H  
HETATM  117  H   UNL     1       8.544   1.193  -3.047  1.00  0.00           H  
HETATM  118  H   UNL     1       9.549   0.316  -0.299  1.00  0.00           H  
HETATM  119  H   UNL     1       7.079  -0.528  -1.884  1.00  0.00           H  
HETATM  120  H   UNL     1       8.183  -2.320  -0.512  1.00  0.00           H  
HETATM  121  H   UNL     1       8.013  -1.280   0.922  1.00  0.00           H  
HETATM  122  H   UNL     1       6.306   1.773  -1.992  1.00  0.00           H  
HETATM  123  H   UNL     1       7.670   4.387  -1.757  1.00  0.00           H  
HETATM  124  H   UNL     1      10.432   2.644  -2.834  1.00  0.00           H  
HETATM  125  H   UNL     1      10.616  -0.719  -2.171  1.00  0.00           H  
HETATM  126  H   UNL     1       6.170  -2.781   0.688  1.00  0.00           H  
HETATM  127  H   UNL     1      -4.822   4.171  -0.559  1.00  0.00           H  
HETATM  128  H   UNL     1      -7.237   4.304   1.307  1.00  0.00           H  
HETATM  129  H   UNL     1      -6.900   5.225  -1.586  1.00  0.00           H  
HETATM  130  H   UNL     1      -8.567   2.962  -0.393  1.00  0.00           H  
HETATM  131  H   UNL     1      -9.571   4.164  -2.358  1.00  0.00           H  
HETATM  132  H   UNL     1      -8.101   3.796  -3.291  1.00  0.00           H  
HETATM  133  H   UNL     1      -6.584   1.956   0.586  1.00  0.00           H  
HETATM  134  H   UNL     1      -3.926   3.016   1.332  1.00  0.00           H  
HETATM  135  H   UNL     1      -5.588   6.006   1.623  1.00  0.00           H  
HETATM  136  H   UNL     1      -8.418   6.511  -0.264  1.00  0.00           H  
HETATM  137  H   UNL     1      -9.794   2.141  -3.609  1.00  0.00           H  
CONECT    1   30    2   29   68                                       
CONECT    2    3    1   34   69                                       
CONECT    3    4   33    2   70                                       
CONECT    4   32    5    3   71                                       
CONECT    5    6    4   30   72                                       
CONECT    6   31    5   73   74                                       
CONECT    7    8    8   75   76                                       
CONECT    8   28    9    7    7                                       
CONECT    9   10    8   77   78                                       
CONECT   10   12   11   25    9                                       
CONECT   11   10   28   79   80                                       
CONECT   12   13   10   81   82                                       
CONECT   13   14   12   83   84                                       
CONECT   14   15   13   23   85                                       
CONECT   15   17   16   14   20                                       
CONECT   16   15   86   87   88                                       
CONECT   17   19   19   18   15                                       
CONECT   18   51   17                                                 
CONECT   19   17   17                                                 
CONECT   20   15   21   89   90                                       
CONECT   21   20   22   91   92                                       
CONECT   22   23   21   93   94                                       
CONECT   23   14   24   22   25                                       
CONECT   24   23   95   96   97                                       
CONECT   25   23   10   26   98                                       
CONECT   26   25   27   99  100                                       
CONECT   27   28   26  101  102                                       
CONECT   28   11   29   27    8                                       
CONECT   29    1   28                                                 
CONECT   30    5    1                                                 
CONECT   31   62    6                                                 
CONECT   32    4  103                                                 
CONECT   33    3  104                                                 
CONECT   34    2   35                                                 
CONECT   35   34   36   44  105                                       
CONECT   36   35   37                                                 
CONECT   37   36   38   40  106                                       
CONECT   38   37   39  107  108                                       
CONECT   39   38  109                                                 
CONECT   40   37   42   41  110                                       
CONECT   41   40  111                                                 
CONECT   42   44   40   43  112                                       
CONECT   43   42  113                                                 
CONECT   44   35   45   42  114                                       
CONECT   45   44  115                                                 
CONECT   46   47   52   51  116                                       
CONECT   47   53   48   46  117                                       
CONECT   48   54   47   49  118                                       
CONECT   49   48   50   55  119                                       
CONECT   50   49   56  120  121                                       
CONECT   51   46   55   18  122                                       
CONECT   52   46  123                                                 
CONECT   53   47  124                                                 
CONECT   54   48  125                                                 
CONECT   55   49   51                                                 
CONECT   56   50  126                                                 
CONECT   57   58   62   63  127                                       
CONECT   58   59   64   57  128                                       
CONECT   59   65   60   58  129                                       
CONECT   60   61   59   66  130                                       
CONECT   61   67   60  131  132                                       
CONECT   62   66   57   31  133                                       
CONECT   63   57  134                                                 
CONECT   64   58  135                                                 
CONECT   65   59  136                                                 
CONECT   66   60   62                                                 
CONECT   67   61  137                                                 
CONECT   68    1                                                      
CONECT   69    2                                                      
CONECT   70    3                                                      
CONECT   71    4                                                      
CONECT   72    5                                                      
CONECT   73    6                                                      
CONECT   74    6                                                      
CONECT   75    7                                                      
CONECT   76    7                                                      
CONECT   77    9                                                      
CONECT   78    9                                                      
CONECT   79   11                                                      
CONECT   80   11                                                      
CONECT   81   12                                                      
CONECT   82   12                                                      
CONECT   83   13                                                      
CONECT   84   13                                                      
CONECT   85   14                                                      
CONECT   86   16                                                      
CONECT   87   16                                                      
CONECT   88   16                                                      
CONECT   89   20                                                      
CONECT   90   20                                                      
CONECT   91   21                                                      
CONECT   92   21                                                      
CONECT   93   22                                                      
CONECT   94   22                                                      
CONECT   95   24                                                      
CONECT   96   24                                                      
CONECT   97   24                                                      
CONECT   98   25                                                      
CONECT   99   26                                                      
CONECT  100   26                                                      
CONECT  101   27                                                      
CONECT  102   27                                                      
CONECT  103   32                                                      
CONECT  104   33                                                      
CONECT  105   35                                                      
CONECT  106   37                                                      
CONECT  107   38                                                      
CONECT  108   38                                                      
CONECT  109   39                                                      
CONECT  110   40                                                      
CONECT  111   41                                                      
CONECT  112   42                                                      
CONECT  113   43                                                      
CONECT  114   44                                                      
CONECT  115   45                                                      
CONECT  116   46                                                      
CONECT  117   47                                                      
CONECT  118   48                                                      
CONECT  119   49                                                      
CONECT  120   50                                                      
CONECT  121   50                                                      
CONECT  122   51                                                      
CONECT  123   52                                                      
CONECT  124   53                                                      
CONECT  125   54                                                      
CONECT  126   56                                                      
CONECT  127   57                                                      
CONECT  128   58                                                      
CONECT  129   59                                                      
CONECT  130   60                                                      
CONECT  131   61                                                      
CONECT  132   61                                                      
CONECT  133   62                                                      
CONECT  134   63                                                      
CONECT  135   64                                                      
CONECT  136   65                                                      
CONECT  137   67                                                      
MASTER        0    0    0    0    0    0    0    0  137    0  137    0
END
