COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.688   0.827   1.563  1.00  0.00           O  
HETATM    2  C   UNL     1       2.995  -0.364   1.027  1.00  0.00           C  
HETATM    3  O   UNL     1       2.717  -0.602  -0.219  1.00  0.00           O  
HETATM    4  C   UNL     1       3.560  -1.474   1.831  1.00  0.00           C  
HETATM    5  C   UNL     1       4.997  -1.060   2.191  1.00  0.00           C  
HETATM    6  C   UNL     1       5.767  -2.176   2.888  1.00  0.00           C  
HETATM    7  C   UNL     1       5.835  -3.391   1.990  1.00  0.00           C  
HETATM    8  C   UNL     1       4.932  -3.283   0.743  1.00  0.00           C  
HETATM    9  N   UNL     1       3.633  -2.759   1.147  1.00  0.00           N  
HETATM   10  C   UNL     1       2.547  -3.422   0.841  1.00  0.00           C  
HETATM   11  O   UNL     1       1.479  -2.816   0.769  1.00  0.00           O  
HETATM   12  C   UNL     1       2.539  -4.910   0.506  1.00  0.00           C  
HETATM   13  O   UNL     1       3.449  -5.550   0.965  1.00  0.00           O  
HETATM   14  C   UNL     1       1.436  -5.606  -0.139  1.00  0.00           C  
HETATM   15  C   UNL     1       1.790  -7.099  -0.369  1.00  0.00           C  
HETATM   16  C   UNL     1       0.722  -7.881   0.364  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.647  -7.617  -0.081  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.920  -6.081  -0.111  1.00  0.00           C  
HETATM   19  O   UNL     1       0.175  -5.456   0.497  1.00  0.00           O  
HETATM   20  O   UNL     1       1.280  -4.997  -1.488  1.00  0.00           O  
HETATM   21  C   UNL     1       1.785  -7.476  -1.850  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.190  -5.763   0.664  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.407  -6.086  -0.241  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.117  -5.924  -1.658  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.869  -6.792  -2.508  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.525  -5.048   0.176  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.095  -5.222   1.525  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.005  -4.198  -0.662  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.813  -3.104  -0.237  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.326  -2.207  -1.186  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.979  -1.026  -0.547  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.442  -0.017  -1.308  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.968   1.286  -0.763  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.233   0.995   0.082  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.891   1.757   0.158  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.860   3.280   0.278  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.129   3.737   1.660  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.453   3.786  -0.209  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.844   3.182  -1.010  1.00  0.00           O  
HETATM   40  C   UNL     1      -4.953   5.079   0.362  1.00  0.00           C  
HETATM   41  O   UNL     1      -5.926   6.120   0.143  1.00  0.00           O  
HETATM   42  C   UNL     1      -5.853   7.191   1.085  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.631   5.441  -0.263  1.00  0.00           C  
HETATM   44  O   UNL     1      -3.524   5.144  -1.595  1.00  0.00           O  
HETATM   45  C   UNL     1      -2.658   6.022  -2.318  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.514   4.828   0.532  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.699   3.507   1.225  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.334   5.431   0.566  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.025   4.986   1.236  1.00  0.00           C  
HETATM   50  C   UNL     1      -0.269   5.027   2.716  1.00  0.00           C  
HETATM   51  C   UNL     1       0.335   3.588   0.705  1.00  0.00           C  
HETATM   52  O   UNL     1      -0.065   3.250  -0.347  1.00  0.00           O  
HETATM   53  C   UNL     1       1.209   2.749   1.545  1.00  0.00           C  
HETATM   54  C   UNL     1       2.055   1.830   0.684  1.00  0.00           C  
HETATM   55  C   UNL     1       3.166   2.658   0.004  1.00  0.00           C  
HETATM   56  C   UNL     1       2.537   3.641  -0.986  1.00  0.00           C  
HETATM   57  C   UNL     1       4.116   1.720  -0.743  1.00  0.00           C  
HETATM   58  C   UNL     1       5.272   2.530  -1.335  1.00  0.00           C  
HETATM   59  C   UNL     1       6.119   3.113  -0.201  1.00  0.00           C  
HETATM   60  C   UNL     1       7.274   3.923  -0.793  1.00  0.00           C  
HETATM   61  O   UNL     1       8.065   4.467   0.266  1.00  0.00           O  
HETATM   62  C   UNL     1       8.698   5.707  -0.060  1.00  0.00           C  
HETATM   63  C   UNL     1       8.143   3.012  -1.662  1.00  0.00           C  
HETATM   64  O   UNL     1       9.223   3.768  -2.214  1.00  0.00           O  
HETATM   65  C   UNL     1       7.297   2.429  -2.795  1.00  0.00           C  
HETATM   66  C   UNL     1       6.141   1.619  -2.204  1.00  0.00           C  
HETATM   67  H   UNL     1       2.977  -1.600   2.785  1.00  0.00           H  
HETATM   68  H   UNL     1       5.520  -0.798   1.312  1.00  0.00           H  
HETATM   69  H   UNL     1       5.016  -0.198   2.930  1.00  0.00           H  
HETATM   70  H   UNL     1       6.717  -1.911   3.162  1.00  0.00           H  
HETATM   71  H   UNL     1       5.130  -2.495   3.802  1.00  0.00           H  
HETATM   72  H   UNL     1       6.876  -3.540   1.621  1.00  0.00           H  
HETATM   73  H   UNL     1       5.536  -4.319   2.530  1.00  0.00           H  
HETATM   74  H   UNL     1       5.376  -2.587   0.015  1.00  0.00           H  
HETATM   75  H   UNL     1       4.858  -4.220   0.200  1.00  0.00           H  
HETATM   76  H   UNL     1       2.743  -7.258   0.148  1.00  0.00           H  
HETATM   77  H   UNL     1       0.985  -8.955   0.265  1.00  0.00           H  
HETATM   78  H   UNL     1       0.745  -7.720   1.444  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.825  -8.030  -1.142  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.372  -8.125   0.554  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.951  -5.739  -1.128  1.00  0.00           H  
HETATM   82  H   UNL     1       1.083  -4.051  -1.472  1.00  0.00           H  
HETATM   83  H   UNL     1       2.519  -6.870  -2.381  1.00  0.00           H  
HETATM   84  H   UNL     1       2.039  -8.531  -1.957  1.00  0.00           H  
HETATM   85  H   UNL     1       0.794  -7.297  -2.267  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.274  -6.471   1.542  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.156  -4.759   0.890  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.853  -7.053  -0.070  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.595  -6.610  -3.547  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.653  -7.829  -2.252  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.934  -6.599  -2.374  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.514  -4.642   2.242  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.128  -4.875   1.530  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.064  -6.276   1.799  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.661  -4.169  -1.753  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.040  -2.967   0.762  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.239  -2.274  -2.163  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.043  -0.822   0.479  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.448  -0.217  -2.417  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.070   1.977  -1.524  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.975   0.327   0.904  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.625   1.929   0.482  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.988   0.523  -0.546  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.069   1.387   1.249  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.937   1.401  -0.179  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.622   3.681  -0.401  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.404   3.287   2.338  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.045   4.823   1.706  1.00  0.00           H  
HETATM  109  H   UNL     1      -8.135   3.437   1.953  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.846   5.017   1.505  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.672   7.888   0.907  1.00  0.00           H  
HETATM  112  H   UNL     1      -5.929   6.792   2.096  1.00  0.00           H  
HETATM  113  H   UNL     1      -4.902   7.712   0.970  1.00  0.00           H  
HETATM  114  H   UNL     1      -3.456   6.581  -0.097  1.00  0.00           H  
HETATM  115  H   UNL     1      -3.033   7.043  -2.244  1.00  0.00           H  
HETATM  116  H   UNL     1      -1.655   5.972  -1.895  1.00  0.00           H  
HETATM  117  H   UNL     1      -2.627   5.721  -3.365  1.00  0.00           H  
HETATM  118  H   UNL     1      -3.024   2.760   0.501  1.00  0.00           H  
HETATM  119  H   UNL     1      -1.754   3.195   1.670  1.00  0.00           H  
HETATM  120  H   UNL     1      -3.452   3.609   2.006  1.00  0.00           H  
HETATM  121  H   UNL     1      -1.322   6.396   0.001  1.00  0.00           H  
HETATM  122  H   UNL     1       0.717   5.723   0.957  1.00  0.00           H  
HETATM  123  H   UNL     1      -1.016   4.279   2.982  1.00  0.00           H  
HETATM  124  H   UNL     1       0.661   4.814   3.243  1.00  0.00           H  
HETATM  125  H   UNL     1      -0.629   6.016   2.998  1.00  0.00           H  
HETATM  126  H   UNL     1       1.899   3.338   2.124  1.00  0.00           H  
HETATM  127  H   UNL     1       0.554   2.162   2.267  1.00  0.00           H  
HETATM  128  H   UNL     1       1.449   1.348  -0.004  1.00  0.00           H  
HETATM  129  H   UNL     1       3.722   3.211   0.761  1.00  0.00           H  
HETATM  130  H   UNL     1       2.029   4.434  -0.437  1.00  0.00           H  
HETATM  131  H   UNL     1       3.316   4.074  -1.613  1.00  0.00           H  
HETATM  132  H   UNL     1       1.817   3.114  -1.612  1.00  0.00           H  
HETATM  133  H   UNL     1       4.511   0.976  -0.052  1.00  0.00           H  
HETATM  134  H   UNL     1       3.576   1.220  -1.546  1.00  0.00           H  
HETATM  135  H   UNL     1       4.873   3.341  -1.944  1.00  0.00           H  
HETATM  136  H   UNL     1       5.500   3.762   0.418  1.00  0.00           H  
HETATM  137  H   UNL     1       6.518   2.302   0.408  1.00  0.00           H  
HETATM  138  H   UNL     1       6.875   4.734  -1.402  1.00  0.00           H  
HETATM  139  H   UNL     1       9.359   5.564  -0.914  1.00  0.00           H  
HETATM  140  H   UNL     1       7.939   6.448  -0.308  1.00  0.00           H  
HETATM  141  H   UNL     1       9.279   6.053   0.795  1.00  0.00           H  
HETATM  142  H   UNL     1       8.542   2.201  -1.053  1.00  0.00           H  
HETATM  143  H   UNL     1       9.816   3.253  -2.778  1.00  0.00           H  
HETATM  144  H   UNL     1       6.898   3.240  -3.405  1.00  0.00           H  
HETATM  145  H   UNL     1       7.916   1.780  -3.415  1.00  0.00           H  
HETATM  146  H   UNL     1       6.540   0.808  -1.595  1.00  0.00           H  
HETATM  147  H   UNL     1       5.538   1.204  -3.011  1.00  0.00           H  
CONECT    1    2   54                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2    9   67                                       
CONECT    5    6    4   68   69                                       
CONECT    6    5    7   70   71                                       
CONECT    7    6    8   72   73                                       
CONECT    8    7    9   74   75                                       
CONECT    9    4    8   10                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   19   15   20                                       
CONECT   15   14   16   21   76                                       
CONECT   16   17   15   77   78                                       
CONECT   17   18   16   79   80                                       
CONECT   18   22   19   17   81                                       
CONECT   19   18   14                                                 
CONECT   20   14   82                                                 
CONECT   21   15   83   84   85                                       
CONECT   22   23   18   86   87                                       
CONECT   23   26   22   24   88                                       
CONECT   24   23   25                                                 
CONECT   25   24   89   90   91                                       
CONECT   26   27   28   28   23                                       
CONECT   27   26   92   93   94                                       
CONECT   28   29   26   26   95                                       
CONECT   29   30   30   28   96                                       
CONECT   30   31   29   29   97                                       
CONECT   31   32   32   30   98                                       
CONECT   32   33   31   31   99                                       
CONECT   33   35   34   32  100                                       
CONECT   34   33  101  102  103                                       
CONECT   35   36   33  104  105                                       
CONECT   36   37   38   35  106                                       
CONECT   37   36  107  108  109                                       
CONECT   38   39   39   36   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   43  110                                       
CONECT   41   42   40                                                 
CONECT   42   41  111  112  113                                       
CONECT   43   44   40   46  114                                       
CONECT   44   45   43                                                 
CONECT   45   44  115  116  117                                       
CONECT   46   48   48   43   47                                       
CONECT   47   46  118  119  120                                       
CONECT   48   49   46   46  121                                       
CONECT   49   50   48   51  122                                       
CONECT   50   49  123  124  125                                       
CONECT   51   52   52   49   53                                       
CONECT   52   51   51                                                 
CONECT   53   51   54  126  127                                       
CONECT   54   53    1   55  128                                       
CONECT   55   54   57   56  129                                       
CONECT   56   55  130  131  132                                       
CONECT   57   58   55  133  134                                       
CONECT   58   59   57   66  135                                       
CONECT   59   60   58  136  137                                       
CONECT   60   59   61   63  138                                       
CONECT   61   62   60                                                 
CONECT   62   61  139  140  141                                       
CONECT   63   60   64   65  142                                       
CONECT   64   63  143                                                 
CONECT   65   63   66  144  145                                       
CONECT   66   58   65  146  147                                       
CONECT   67    4                                                      
CONECT   68    5                                                      
CONECT   69    5                                                      
CONECT   70    6                                                      
CONECT   71    6                                                      
CONECT   72    7                                                      
CONECT   73    7                                                      
CONECT   74    8                                                      
CONECT   75    8                                                      
CONECT   76   15                                                      
CONECT   77   16                                                      
CONECT   78   16                                                      
CONECT   79   17                                                      
CONECT   80   17                                                      
CONECT   81   18                                                      
CONECT   82   20                                                      
CONECT   83   21                                                      
CONECT   84   21                                                      
CONECT   85   21                                                      
CONECT   86   22                                                      
CONECT   87   22                                                      
CONECT   88   23                                                      
CONECT   89   25                                                      
CONECT   90   25                                                      
CONECT   91   25                                                      
CONECT   92   27                                                      
CONECT   93   27                                                      
CONECT   94   27                                                      
CONECT   95   28                                                      
CONECT   96   29                                                      
CONECT   97   30                                                      
CONECT   98   31                                                      
CONECT   99   32                                                      
CONECT  100   33                                                      
CONECT  101   34                                                      
CONECT  102   34                                                      
CONECT  103   34                                                      
CONECT  104   35                                                      
CONECT  105   35                                                      
CONECT  106   36                                                      
CONECT  107   37                                                      
CONECT  108   37                                                      
CONECT  109   37                                                      
CONECT  110   40                                                      
CONECT  111   42                                                      
CONECT  112   42                                                      
CONECT  113   42                                                      
CONECT  114   43                                                      
CONECT  115   45                                                      
CONECT  116   45                                                      
CONECT  117   45                                                      
CONECT  118   47                                                      
CONECT  119   47                                                      
CONECT  120   47                                                      
CONECT  121   48                                                      
CONECT  122   49                                                      
CONECT  123   50                                                      
CONECT  124   50                                                      
CONECT  125   50                                                      
CONECT  126   53                                                      
CONECT  127   53                                                      
CONECT  128   54                                                      
CONECT  129   55                                                      
CONECT  130   56                                                      
CONECT  131   56                                                      
CONECT  132   56                                                      
CONECT  133   57                                                      
CONECT  134   57                                                      
CONECT  135   58                                                      
CONECT  136   59                                                      
CONECT  137   59                                                      
CONECT  138   60                                                      
CONECT  139   62                                                      
CONECT  140   62                                                      
CONECT  141   62                                                      
CONECT  142   63                                                      
CONECT  143   64                                                      
CONECT  144   65                                                      
CONECT  145   65                                                      
CONECT  146   66                                                      
CONECT  147   66                                                      
MASTER        0    0    0    0    0    0    0    0  147    0  147    0
END
