COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.695   4.025  -0.277  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.064   6.131  -1.593  1.00  0.00           N  
HETATM    3  O   UNL     1       1.787   3.442   2.991  1.00  0.00           O  
HETATM    4  C   UNL     1       1.285   3.126   1.932  1.00  0.00           C  
HETATM    5  C   UNL     1       0.094   2.270   1.883  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.323   1.611   3.043  1.00  0.00           C  
HETATM    7  O   UNL     1       0.368   1.758   4.198  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.467   0.795   3.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.916   0.111   4.148  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.242   0.230   5.320  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.042  -0.678   4.074  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.523  -1.409   5.301  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.742  -0.807   2.874  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.851  -1.589   2.825  1.00  0.00           O  
HETATM   15  C   UNL     1      -5.524  -1.681   1.568  1.00  0.00           C  
HETATM   16  O   UNL     1      -6.055  -0.401   1.217  1.00  0.00           O  
HETATM   17  C   UNL     1      -6.730  -0.376  -0.042  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.228   1.043  -0.325  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.922  -1.336  -0.001  1.00  0.00           C  
HETATM   20  O   UNL     1      -8.565  -1.354  -1.276  1.00  0.00           O  
HETATM   21  C   UNL     1      -7.422  -2.743   0.342  1.00  0.00           C  
HETATM   22  O   UNL     1      -8.535  -3.631   0.456  1.00  0.00           O  
HETATM   23  C   UNL     1      -8.238  -4.984   0.102  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.907  -5.052  -1.286  1.00  0.00           O  
HETATM   25  C   UNL     1      -7.566  -6.363  -1.741  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.206  -6.310  -3.227  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.761  -7.299  -1.539  1.00  0.00           C  
HETATM   28  O   UNL     1      -8.404  -8.623  -1.939  1.00  0.00           O  
HETATM   29  C   UNL     1      -9.154  -7.300  -0.058  1.00  0.00           C  
HETATM   30  O   UNL     1     -10.314  -8.113   0.128  1.00  0.00           O  
HETATM   31  C   UNL     1      -9.460  -5.864   0.379  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.668  -2.694   1.675  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.321  -0.149   1.737  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.178   0.660   1.781  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.728   1.337   0.629  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.618   2.120   0.674  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.170   2.808  -0.589  1.00  0.00           C  
HETATM   38  C   UNL     1       1.867   3.602   0.618  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.147   5.077   0.448  1.00  0.00           C  
HETATM   40  O   UNL     1      -0.651   4.527   1.667  1.00  0.00           O  
HETATM   41  C   UNL     1      -0.842   5.491   2.704  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.299   5.491  -0.431  1.00  0.00           C  
HETATM   43  O   UNL     1      -2.438   5.249  -0.091  1.00  0.00           O  
HETATM   44  C   UNL     1      -2.185   6.533  -2.447  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.583   5.379  -3.330  1.00  0.00           C  
HETATM   46  O   UNL     1      -1.992   4.328  -3.253  1.00  0.00           O  
HETATM   47  O   UNL     1      -3.595   5.518  -4.201  1.00  0.00           O  
HETATM   48  C   UNL     1      -3.924   4.365  -5.019  1.00  0.00           C  
HETATM   49  C   UNL     1      -1.762   7.719  -3.318  1.00  0.00           C  
HETATM   50  C   UNL     1      -1.481   8.911  -2.440  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.498   9.794  -2.127  1.00  0.00           C  
HETATM   52  C   UNL     1      -2.241  10.888  -1.323  1.00  0.00           C  
HETATM   53  C   UNL     1      -0.966  11.100  -0.831  1.00  0.00           C  
HETATM   54  C   UNL     1       0.051  10.217  -1.143  1.00  0.00           C  
HETATM   55  C   UNL     1      -0.208   9.120  -1.944  1.00  0.00           C  
HETATM   56  O   UNL     1       2.594   2.541  -0.004  1.00  0.00           O  
HETATM   57  C   UNL     1       3.984   2.518   0.326  1.00  0.00           C  
HETATM   58  O   UNL     1       4.616   3.692  -0.190  1.00  0.00           O  
HETATM   59  C   UNL     1       6.011   3.782   0.108  1.00  0.00           C  
HETATM   60  C   UNL     1       6.571   5.085  -0.466  1.00  0.00           C  
HETATM   61  C   UNL     1       6.743   2.592  -0.518  1.00  0.00           C  
HETATM   62  O   UNL     1       8.129   2.649  -0.174  1.00  0.00           O  
HETATM   63  C   UNL     1       6.136   1.291   0.016  1.00  0.00           C  
HETATM   64  C   UNL     1       4.635   1.277  -0.291  1.00  0.00           C  
HETATM   65  O   UNL     1       6.765   0.175  -0.617  1.00  0.00           O  
HETATM   66  C   UNL     1       6.818  -1.000   0.195  1.00  0.00           C  
HETATM   67  O   UNL     1       7.650  -0.757   1.331  1.00  0.00           O  
HETATM   68  C   UNL     1       7.752  -1.866   2.227  1.00  0.00           C  
HETATM   69  C   UNL     1       8.640  -1.483   3.413  1.00  0.00           C  
HETATM   70  C   UNL     1       8.367  -3.060   1.492  1.00  0.00           C  
HETATM   71  O   UNL     1       9.690  -2.728   1.066  1.00  0.00           O  
HETATM   72  C   UNL     1       7.505  -3.398   0.273  1.00  0.00           C  
HETATM   73  C   UNL     1       7.395  -2.159  -0.622  1.00  0.00           C  
HETATM   74  O   UNL     1       8.111  -4.465  -0.461  1.00  0.00           O  
HETATM   75  C   UNL     1       7.179  -5.292  -1.160  1.00  0.00           C  
HETATM   76  O   UNL     1       6.348  -5.974  -0.219  1.00  0.00           O  
HETATM   77  C   UNL     1       5.358  -6.814  -0.817  1.00  0.00           C  
HETATM   78  C   UNL     1       4.514  -7.467   0.280  1.00  0.00           C  
HETATM   79  C   UNL     1       6.047  -7.901  -1.646  1.00  0.00           C  
HETATM   80  O   UNL     1       5.058  -8.708  -2.290  1.00  0.00           O  
HETATM   81  C   UNL     1       6.937  -7.239  -2.703  1.00  0.00           C  
HETATM   82  C   UNL     1       7.689  -8.315  -3.488  1.00  0.00           C  
HETATM   83  O   UNL     1       6.128  -6.473  -3.598  1.00  0.00           O  
HETATM   84  C   UNL     1       7.941  -6.318  -2.004  1.00  0.00           C  
HETATM   85  H   UNL     1       1.080   4.445  -1.206  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.154   6.325  -1.865  1.00  0.00           H  
HETATM   87  H   UNL     1       0.065   2.494   4.746  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.547   0.959   5.877  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.222  -0.777   5.850  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.023  -2.330   5.003  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.672  -1.648   5.939  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.821  -2.006   0.802  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.043  -0.683  -0.830  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.380   1.727  -0.354  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.743   1.063  -1.286  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.916   1.350   0.462  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.630  -1.006   0.760  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.903  -0.493  -1.559  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.752  -3.093  -0.443  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.394  -5.337   0.695  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.714  -6.734  -1.173  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.059  -5.938  -3.795  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.355  -5.643  -3.371  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.947  -7.310  -3.574  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.602  -6.950  -2.139  1.00  0.00           H  
HETATM  106  H   UNL     1      -8.139  -8.695  -2.867  1.00  0.00           H  
HETATM  107  H   UNL     1      -8.331  -7.696   0.537  1.00  0.00           H  
HETATM  108  H   UNL     1     -10.619  -8.160   1.044  1.00  0.00           H  
HETATM  109  H   UNL     1      -9.686  -5.848   1.445  1.00  0.00           H  
HETATM  110  H   UNL     1     -10.315  -5.487  -0.182  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.261  -3.680   1.899  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.350  -2.391   2.469  1.00  0.00           H  
HETATM  113  H   UNL     1      -3.872  -0.258   0.814  1.00  0.00           H  
HETATM  114  H   UNL     1      -2.270   1.232  -0.298  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.047   3.127  -1.151  1.00  0.00           H  
HETATM  116  H   UNL     1       0.405   2.106  -1.193  1.00  0.00           H  
HETATM  117  H   UNL     1       2.527   4.453   0.791  1.00  0.00           H  
HETATM  118  H   UNL     1       0.471   5.947   0.670  1.00  0.00           H  
HETATM  119  H   UNL     1       0.109   5.969   2.937  1.00  0.00           H  
HETATM  120  H   UNL     1      -1.556   6.245   2.373  1.00  0.00           H  
HETATM  121  H   UNL     1      -1.226   4.994   3.595  1.00  0.00           H  
HETATM  122  H   UNL     1      -3.031   6.823  -1.824  1.00  0.00           H  
HETATM  123  H   UNL     1      -4.757   4.612  -5.677  1.00  0.00           H  
HETATM  124  H   UNL     1      -3.057   4.085  -5.619  1.00  0.00           H  
HETATM  125  H   UNL     1      -4.204   3.531  -4.376  1.00  0.00           H  
HETATM  126  H   UNL     1      -0.863   7.458  -3.875  1.00  0.00           H  
HETATM  127  H   UNL     1      -2.564   7.961  -4.015  1.00  0.00           H  
HETATM  128  H   UNL     1      -3.494   9.629  -2.512  1.00  0.00           H  
HETATM  129  H   UNL     1      -3.035  11.578  -1.079  1.00  0.00           H  
HETATM  130  H   UNL     1      -0.765  11.955  -0.203  1.00  0.00           H  
HETATM  131  H   UNL     1       1.046  10.382  -0.759  1.00  0.00           H  
HETATM  132  H   UNL     1       0.585   8.428  -2.185  1.00  0.00           H  
HETATM  133  H   UNL     1       4.101   2.489   1.409  1.00  0.00           H  
HETATM  134  H   UNL     1       6.154   3.770   1.188  1.00  0.00           H  
HETATM  135  H   UNL     1       6.050   5.932  -0.021  1.00  0.00           H  
HETATM  136  H   UNL     1       7.635   5.154  -0.239  1.00  0.00           H  
HETATM  137  H   UNL     1       6.429   5.097  -1.547  1.00  0.00           H  
HETATM  138  H   UNL     1       6.635   2.626  -1.602  1.00  0.00           H  
HETATM  139  H   UNL     1       8.578   3.448  -0.481  1.00  0.00           H  
HETATM  140  H   UNL     1       6.288   1.233   1.093  1.00  0.00           H  
HETATM  141  H   UNL     1       4.185   0.380   0.134  1.00  0.00           H  
HETATM  142  H   UNL     1       4.484   1.285  -1.370  1.00  0.00           H  
HETATM  143  H   UNL     1       5.812  -1.256   0.529  1.00  0.00           H  
HETATM  144  H   UNL     1       6.759  -2.133   2.588  1.00  0.00           H  
HETATM  145  H   UNL     1       8.202  -0.632   3.935  1.00  0.00           H  
HETATM  146  H   UNL     1       8.717  -2.329   4.096  1.00  0.00           H  
HETATM  147  H   UNL     1       9.633  -1.216   3.051  1.00  0.00           H  
HETATM  148  H   UNL     1       8.405  -3.919   2.162  1.00  0.00           H  
HETATM  149  H   UNL     1      10.290  -2.498   1.789  1.00  0.00           H  
HETATM  150  H   UNL     1       6.510  -3.700   0.602  1.00  0.00           H  
HETATM  151  H   UNL     1       6.738  -2.375  -1.464  1.00  0.00           H  
HETATM  152  H   UNL     1       8.384  -1.888  -0.990  1.00  0.00           H  
HETATM  153  H   UNL     1       6.561  -4.674  -1.810  1.00  0.00           H  
HETATM  154  H   UNL     1       4.715  -6.216  -1.462  1.00  0.00           H  
HETATM  155  H   UNL     1       4.025  -6.693   0.871  1.00  0.00           H  
HETATM  156  H   UNL     1       3.759  -8.108  -0.176  1.00  0.00           H  
HETATM  157  H   UNL     1       5.156  -8.066   0.925  1.00  0.00           H  
HETATM  158  H   UNL     1       6.658  -8.525  -0.994  1.00  0.00           H  
HETATM  159  H   UNL     1       4.456  -9.154  -1.680  1.00  0.00           H  
HETATM  160  H   UNL     1       8.325  -7.841  -4.236  1.00  0.00           H  
HETATM  161  H   UNL     1       8.306  -8.899  -2.804  1.00  0.00           H  
HETATM  162  H   UNL     1       6.973  -8.972  -3.982  1.00  0.00           H  
HETATM  163  H   UNL     1       6.628  -6.019  -4.290  1.00  0.00           H  
HETATM  164  H   UNL     1       8.542  -5.800  -2.751  1.00  0.00           H  
HETATM  165  H   UNL     1       8.590  -6.910  -1.359  1.00  0.00           H  
CONECT    1   39   37   38   85                                       
CONECT    2   44   42   86                                            
CONECT    3    4    4                                                 
CONECT    4   38    5    3    3                                       
CONECT    5   36    4    6    6                                       
CONECT    6    5    5    8    7                                       
CONECT    7    6   87                                                 
CONECT    8   34    6    9    9                                       
CONECT    9    8    8   11   10                                       
CONECT   10    9   88                                                 
CONECT   11   13   13    9   12                                       
CONECT   12   11   89   90   91                                       
CONECT   13   33   14   11   11                                       
CONECT   14   15   13                                                 
CONECT   15   32   16   14   92                                       
CONECT   16   17   15                                                 
CONECT   17   19   18   16   93                                       
CONECT   18   17   94   95   96                                       
CONECT   19   20   21   17   97                                       
CONECT   20   19   98                                                 
CONECT   21   22   19   32   99                                       
CONECT   22   23   21                                                 
CONECT   23   24   31   22  100                                       
CONECT   24   25   23                                                 
CONECT   25   26   27   24  101                                       
CONECT   26   25  102  103  104                                       
CONECT   27   28   25   29  105                                       
CONECT   28   27  106                                                 
CONECT   29   27   30   31  107                                       
CONECT   30   29  108                                                 
CONECT   31   29   23  109  110                                       
CONECT   32   21   15  111  112                                       
CONECT   33   34   34   13  113                                       
CONECT   34   35   33   33    8                                       
CONECT   35   36   36   34  114                                       
CONECT   36   37   35   35    5                                       
CONECT   37    1   36  115  116                                       
CONECT   38   56    1    4  117                                       
CONECT   39   42    1   40  118                                       
CONECT   40   39   41                                                 
CONECT   41   40  119  120  121                                       
CONECT   42   43   43    2   39                                       
CONECT   43   42   42                                                 
CONECT   44   45    2   49  122                                       
CONECT   45   46   46   44   47                                       
CONECT   46   45   45                                                 
CONECT   47   45   48                                                 
CONECT   48   47  123  124  125                                       
CONECT   49   44   50  126  127                                       
CONECT   50   51   49   55   55                                       
CONECT   51   52   52   50  128                                       
CONECT   52   51   51   53  129                                       
CONECT   53   52   54   54  130                                       
CONECT   54   53   53   55  131                                       
CONECT   55   50   50   54  132                                       
CONECT   56   57   38                                                 
CONECT   57   64   56   58  133                                       
CONECT   58   57   59                                                 
CONECT   59   61   58   60  134                                       
CONECT   60   59  135  136  137                                       
CONECT   61   63   62   59  138                                       
CONECT   62   61  139                                                 
CONECT   63   65   64   61  140                                       
CONECT   64   63   57  141  142                                       
CONECT   65   66   63                                                 
CONECT   66   73   65   67  143                                       
CONECT   67   66   68                                                 
CONECT   68   70   67   69  144                                       
CONECT   69   68  145  146  147                                       
CONECT   70   71   72   68  148                                       
CONECT   71   70  149                                                 
CONECT   72   74   73   70  150                                       
CONECT   73   72   66  151  152                                       
CONECT   74   75   72                                                 
CONECT   75   84   74   76  153                                       
CONECT   76   75   77                                                 
CONECT   77   79   76   78  154                                       
CONECT   78   77  155  156  157                                       
CONECT   79   81   80   77  158                                       
CONECT   80   79  159                                                 
CONECT   81   82   83   84   79                                       
CONECT   82   81  160  161  162                                       
CONECT   83   81  163                                                 
CONECT   84   81   75  164  165                                       
CONECT   85    1                                                      
CONECT   86    2                                                      
CONECT   87    7                                                      
CONECT   88   10                                                      
CONECT   89   12                                                      
CONECT   90   12                                                      
CONECT   91   12                                                      
CONECT   92   15                                                      
CONECT   93   17                                                      
CONECT   94   18                                                      
CONECT   95   18                                                      
CONECT   96   18                                                      
CONECT   97   19                                                      
CONECT   98   20                                                      
CONECT   99   21                                                      
CONECT  100   23                                                      
CONECT  101   25                                                      
CONECT  102   26                                                      
CONECT  103   26                                                      
CONECT  104   26                                                      
CONECT  105   27                                                      
CONECT  106   28                                                      
CONECT  107   29                                                      
CONECT  108   30                                                      
CONECT  109   31                                                      
CONECT  110   31                                                      
CONECT  111   32                                                      
CONECT  112   32                                                      
CONECT  113   33                                                      
CONECT  114   35                                                      
CONECT  115   37                                                      
CONECT  116   37                                                      
CONECT  117   38                                                      
CONECT  118   39                                                      
CONECT  119   41                                                      
CONECT  120   41                                                      
CONECT  121   41                                                      
CONECT  122   44                                                      
CONECT  123   48                                                      
CONECT  124   48                                                      
CONECT  125   48                                                      
CONECT  126   49                                                      
CONECT  127   49                                                      
CONECT  128   51                                                      
CONECT  129   52                                                      
CONECT  130   53                                                      
CONECT  131   54                                                      
CONECT  132   55                                                      
CONECT  133   57                                                      
CONECT  134   59                                                      
CONECT  135   60                                                      
CONECT  136   60                                                      
CONECT  137   60                                                      
CONECT  138   61                                                      
CONECT  139   62                                                      
CONECT  140   63                                                      
CONECT  141   64                                                      
CONECT  142   64                                                      
CONECT  143   66                                                      
CONECT  144   68                                                      
CONECT  145   69                                                      
CONECT  146   69                                                      
CONECT  147   69                                                      
CONECT  148   70                                                      
CONECT  149   71                                                      
CONECT  150   72                                                      
CONECT  151   73                                                      
CONECT  152   73                                                      
CONECT  153   75                                                      
CONECT  154   77                                                      
CONECT  155   78                                                      
CONECT  156   78                                                      
CONECT  157   78                                                      
CONECT  158   79                                                      
CONECT  159   80                                                      
CONECT  160   82                                                      
CONECT  161   82                                                      
CONECT  162   82                                                      
CONECT  163   83                                                      
CONECT  164   84                                                      
CONECT  165   84                                                      
MASTER        0    0    0    0    0    0    0    0  165    0  165    0
END
