COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.484  -1.683   2.683  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.810  -1.848   2.486  1.00  0.00           O  
HETATM    3  O   UNL     1       0.157  -1.068   1.870  1.00  0.00           O  
HETATM    4  C   UNL     1       0.141  -2.297   3.893  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.601  -1.875   5.163  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.032  -2.646   6.357  1.00  0.00           C  
HETATM    7  C   UNL     1       1.465  -2.365   6.502  1.00  0.00           C  
HETATM    8  C   UNL     1       2.185  -2.801   5.216  1.00  0.00           C  
HETATM    9  N   UNL     1       1.568  -2.021   4.111  1.00  0.00           N  
HETATM   10  C   UNL     1       2.337  -1.171   3.428  1.00  0.00           C  
HETATM   11  O   UNL     1       1.855  -0.119   3.062  1.00  0.00           O  
HETATM   12  C   UNL     1       3.770  -1.381   3.187  1.00  0.00           C  
HETATM   13  O   UNL     1       4.152  -2.528   3.168  1.00  0.00           O  
HETATM   14  C   UNL     1       4.791  -0.311   2.930  1.00  0.00           C  
HETATM   15  O   UNL     1       4.823   0.047   1.552  1.00  0.00           O  
HETATM   16  O   UNL     1       4.468   0.840   3.719  1.00  0.00           O  
HETATM   17  C   UNL     1       6.159  -0.840   3.375  1.00  0.00           C  
HETATM   18  C   UNL     1       7.257   0.189   3.093  1.00  0.00           C  
HETATM   19  C   UNL     1       7.185   0.558   1.602  1.00  0.00           C  
HETATM   20  C   UNL     1       5.764   1.089   1.360  1.00  0.00           C  
HETATM   21  C   UNL     1       5.666   1.814   0.038  1.00  0.00           C  
HETATM   22  C   UNL     1       6.196   1.037  -1.164  1.00  0.00           C  
HETATM   23  O   UNL     1       7.587   1.302  -1.344  1.00  0.00           O  
HETATM   24  C   UNL     1       5.434   1.514  -2.380  1.00  0.00           C  
HETATM   25  C   UNL     1       4.730   0.700  -3.151  1.00  0.00           C  
HETATM   26  C   UNL     1       3.989   1.243  -4.289  1.00  0.00           C  
HETATM   27  C   UNL     1       3.248   0.437  -5.077  1.00  0.00           C  
HETATM   28  C   UNL     1       2.483   1.061  -6.158  1.00  0.00           C  
HETATM   29  C   UNL     1       1.705   0.310  -6.932  1.00  0.00           C  
HETATM   30  C   UNL     1       0.909   0.948  -8.040  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.470   0.289  -8.104  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.315   0.722  -6.904  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.366  -0.318  -6.611  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.480  -1.280  -7.331  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.269  -0.159  -5.415  1.00  0.00           C  
HETATM   36  O   UNL     1      -2.468  -0.004  -4.241  1.00  0.00           O  
HETATM   37  C   UNL     1      -4.172  -1.381  -5.260  1.00  0.00           C  
HETATM   38  O   UNL     1      -5.276  -1.278  -6.160  1.00  0.00           O  
HETATM   39  C   UNL     1      -4.691  -1.442  -3.839  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.242  -2.383  -3.053  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.671  -2.517  -1.614  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.652  -1.794  -0.765  1.00  0.00           C  
HETATM   43  O   UNL     1      -3.104  -0.807  -1.204  1.00  0.00           O  
HETATM   44  C   UNL     1      -3.308  -2.290   0.610  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.501  -1.232   1.372  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.453  -0.158   1.905  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.652   0.903   2.660  1.00  0.00           C  
HETATM   48  C   UNL     1      -3.612   1.898   3.315  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.426   1.183   4.396  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.387   2.178   5.052  1.00  0.00           C  
HETATM   51  O   UNL     1      -6.147   1.511   6.061  1.00  0.00           O  
HETATM   52  C   UNL     1      -4.588   3.318   5.685  1.00  0.00           C  
HETATM   53  O   UNL     1      -5.485   4.246   6.297  1.00  0.00           O  
HETATM   54  C   UNL     1      -3.774   4.032   4.604  1.00  0.00           C  
HETATM   55  C   UNL     1      -2.813   3.038   3.949  1.00  0.00           C  
HETATM   56  C   UNL     1       6.130  -1.115   4.884  1.00  0.00           C  
HETATM   57  C   UNL     1       5.478   2.993  -2.703  1.00  0.00           C  
HETATM   58  C   UNL     1       1.630   0.741  -9.374  1.00  0.00           C  
HETATM   59  C   UNL     1      -2.001   2.053  -7.220  1.00  0.00           C  
HETATM   60  C   UNL     1      -5.693  -0.421  -3.372  1.00  0.00           C  
HETATM   61  C   UNL     1      -4.701  -4.003  -1.236  1.00  0.00           C  
HETATM   62  C   UNL     1      -4.191   0.496   0.735  1.00  0.00           C  
HETATM   63  C   UNL     1       8.148   0.150  -1.976  1.00  0.00           C  
HETATM   64  C   UNL     1      -2.214   1.394  -4.097  1.00  0.00           C  
HETATM   65  C   UNL     1      -7.411   2.173   6.132  1.00  0.00           C  
HETATM   66  H   UNL     1       0.033  -3.398   3.804  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.659  -2.105   5.052  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.470  -0.807   5.321  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.188  -3.714   6.203  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.550  -2.335   7.266  1.00  0.00           H  
HETATM   71  H   UNL     1       1.862  -2.924   7.350  1.00  0.00           H  
HETATM   72  H   UNL     1       1.624  -1.297   6.664  1.00  0.00           H  
HETATM   73  H   UNL     1       2.031  -3.862   5.043  1.00  0.00           H  
HETATM   74  H   UNL     1       3.244  -2.572   5.287  1.00  0.00           H  
HETATM   75  H   UNL     1       3.603   1.151   3.417  1.00  0.00           H  
HETATM   76  H   UNL     1       6.385  -1.765   2.846  1.00  0.00           H  
HETATM   77  H   UNL     1       8.233  -0.241   3.320  1.00  0.00           H  
HETATM   78  H   UNL     1       7.094   1.078   3.702  1.00  0.00           H  
HETATM   79  H   UNL     1       7.361  -0.324   0.989  1.00  0.00           H  
HETATM   80  H   UNL     1       7.916   1.330   1.369  1.00  0.00           H  
HETATM   81  H   UNL     1       5.587   1.852   2.148  1.00  0.00           H  
HETATM   82  H   UNL     1       6.225   2.747   0.124  1.00  0.00           H  
HETATM   83  H   UNL     1       4.615   2.057  -0.135  1.00  0.00           H  
HETATM   84  H   UNL     1       6.032  -0.030  -1.024  1.00  0.00           H  
HETATM   85  H   UNL     1       4.688  -0.366  -2.967  1.00  0.00           H  
HETATM   86  H   UNL     1       4.006   2.295  -4.542  1.00  0.00           H  
HETATM   87  H   UNL     1       3.231  -0.625  -4.917  1.00  0.00           H  
HETATM   88  H   UNL     1       2.555   2.128  -6.315  1.00  0.00           H  
HETATM   89  H   UNL     1       1.655  -0.755  -6.761  1.00  0.00           H  
HETATM   90  H   UNL     1       0.802   2.015  -7.847  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.357  -0.795  -8.094  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.975   0.591  -9.023  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.676   0.845  -6.030  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.886   0.728  -5.547  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.604  -2.286  -5.473  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.821  -2.066  -6.025  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.530  -3.098  -3.454  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.658  -2.093  -1.448  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.707  -3.198   0.533  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.220  -2.506   1.165  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.779  -0.777   0.698  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.176  -0.615   2.580  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.001   1.432   1.963  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.046   0.423   3.429  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.287   2.302   2.561  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.752   0.779   5.151  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.996   0.371   3.945  1.00  0.00           H  
HETATM  108  H   UNL     1      -6.062   2.582   4.297  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.913   2.913   6.440  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.942   4.947   6.683  1.00  0.00           H  
HETATM  111  H   UNL     1      -3.204   4.844   5.055  1.00  0.00           H  
HETATM  112  H   UNL     1      -4.448   4.437   3.849  1.00  0.00           H  
HETATM  113  H   UNL     1      -2.138   2.633   4.704  1.00  0.00           H  
HETATM  114  H   UNL     1      -2.233   3.547   3.179  1.00  0.00           H  
HETATM  115  H   UNL     1       7.098  -1.504   5.201  1.00  0.00           H  
HETATM  116  H   UNL     1       5.919  -0.188   5.418  1.00  0.00           H  
HETATM  117  H   UNL     1       5.354  -1.847   5.106  1.00  0.00           H  
HETATM  118  H   UNL     1       5.973   3.141  -3.662  1.00  0.00           H  
HETATM  119  H   UNL     1       4.462   3.384  -2.754  1.00  0.00           H  
HETATM  120  H   UNL     1       6.030   3.519  -1.924  1.00  0.00           H  
HETATM  121  H   UNL     1       2.614   1.209  -9.332  1.00  0.00           H  
HETATM  122  H   UNL     1       1.744  -0.326  -9.564  1.00  0.00           H  
HETATM  123  H   UNL     1       1.047   1.192 -10.176  1.00  0.00           H  
HETATM  124  H   UNL     1      -2.599   2.366  -6.364  1.00  0.00           H  
HETATM  125  H   UNL     1      -1.246   2.810  -7.432  1.00  0.00           H  
HETATM  126  H   UNL     1      -2.648   1.931  -8.089  1.00  0.00           H  
HETATM  127  H   UNL     1      -5.946  -0.612  -2.329  1.00  0.00           H  
HETATM  128  H   UNL     1      -5.264   0.577  -3.465  1.00  0.00           H  
HETATM  129  H   UNL     1      -6.592  -0.488  -3.983  1.00  0.00           H  
HETATM  130  H   UNL     1      -5.438  -4.520  -1.851  1.00  0.00           H  
HETATM  131  H   UNL     1      -3.717  -4.441  -1.404  1.00  0.00           H  
HETATM  132  H   UNL     1      -4.970  -4.105  -0.185  1.00  0.00           H  
HETATM  133  H   UNL     1      -3.466   0.867   0.011  1.00  0.00           H  
HETATM  134  H   UNL     1      -4.838  -0.239   0.256  1.00  0.00           H  
HETATM  135  H   UNL     1      -4.794   1.325   1.104  1.00  0.00           H  
HETATM  136  H   UNL     1       9.215   0.306  -2.135  1.00  0.00           H  
HETATM  137  H   UNL     1       7.999  -0.722  -1.340  1.00  0.00           H  
HETATM  138  H   UNL     1       7.658  -0.012  -2.936  1.00  0.00           H  
HETATM  139  H   UNL     1      -1.603   1.563  -3.210  1.00  0.00           H  
HETATM  140  H   UNL     1      -1.686   1.760  -4.977  1.00  0.00           H  
HETATM  141  H   UNL     1      -3.160   1.926  -3.993  1.00  0.00           H  
HETATM  142  H   UNL     1      -8.029   1.697   6.893  1.00  0.00           H  
HETATM  143  H   UNL     1      -7.259   3.221   6.391  1.00  0.00           H  
HETATM  144  H   UNL     1      -7.911   2.107   5.165  1.00  0.00           H  
CONECT    1    2    3    3    4                                       
CONECT    2    1   45                                                 
CONECT    3    1    1                                                 
CONECT    4    1    5    9   66                                       
CONECT    5    4    6   67   68                                       
CONECT    6    5    7   69   70                                       
CONECT    7    6    8   71   72                                       
CONECT    8    7    9   73   74                                       
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   15   16   17                                       
CONECT   15   14   20                                                 
CONECT   16   14   75                                                 
CONECT   17   14   18   56   76                                       
CONECT   18   17   19   77   78                                       
CONECT   19   18   20   79   80                                       
CONECT   20   15   19   21   81                                       
CONECT   21   20   22   82   83                                       
CONECT   22   21   23   24   84                                       
CONECT   23   22   63                                                 
CONECT   24   22   25   25   57                                       
CONECT   25   24   24   26   85                                       
CONECT   26   25   27   27   86                                       
CONECT   27   26   26   28   87                                       
CONECT   28   27   29   29   88                                       
CONECT   29   28   28   30   89                                       
CONECT   30   29   31   58   90                                       
CONECT   31   30   32   91   92                                       
CONECT   32   31   33   59   93                                       
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   37   94                                       
CONECT   36   35   64                                                 
CONECT   37   35   38   39   95                                       
CONECT   38   37   96                                                 
CONECT   39   37   40   40   60                                       
CONECT   40   39   39   41   97                                       
CONECT   41   40   42   61   98                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   45   99  100                                       
CONECT   45    2   44   46  101                                       
CONECT   46   45   47   62  102                                       
CONECT   47   46   48  103  104                                       
CONECT   48   47   49   55  105                                       
CONECT   49   48   50  106  107                                       
CONECT   50   49   51   52  108                                       
CONECT   51   50   65                                                 
CONECT   52   50   53   54  109                                       
CONECT   53   52  110                                                 
CONECT   54   52   55  111  112                                       
CONECT   55   48   54  113  114                                       
CONECT   56   17  115  116  117                                       
CONECT   57   24  118  119  120                                       
CONECT   58   30  121  122  123                                       
CONECT   59   32  124  125  126                                       
CONECT   60   39  127  128  129                                       
CONECT   61   41  130  131  132                                       
CONECT   62   46  133  134  135                                       
CONECT   63   23  136  137  138                                       
CONECT   64   36  139  140  141                                       
CONECT   65   51  142  143  144                                       
CONECT   66    4                                                      
CONECT   67    5                                                      
CONECT   68    5                                                      
CONECT   69    6                                                      
CONECT   70    6                                                      
CONECT   71    7                                                      
CONECT   72    7                                                      
CONECT   73    8                                                      
CONECT   74    8                                                      
CONECT   75   16                                                      
CONECT   76   17                                                      
CONECT   77   18                                                      
CONECT   78   18                                                      
CONECT   79   19                                                      
CONECT   80   19                                                      
CONECT   81   20                                                      
CONECT   82   21                                                      
CONECT   83   21                                                      
CONECT   84   22                                                      
CONECT   85   25                                                      
CONECT   86   26                                                      
CONECT   87   27                                                      
CONECT   88   28                                                      
CONECT   89   29                                                      
CONECT   90   30                                                      
CONECT   91   31                                                      
CONECT   92   31                                                      
CONECT   93   32                                                      
CONECT   94   35                                                      
CONECT   95   37                                                      
CONECT   96   38                                                      
CONECT   97   40                                                      
CONECT   98   41                                                      
CONECT   99   44                                                      
CONECT  100   44                                                      
CONECT  101   45                                                      
CONECT  102   46                                                      
CONECT  103   47                                                      
CONECT  104   47                                                      
CONECT  105   48                                                      
CONECT  106   49                                                      
CONECT  107   49                                                      
CONECT  108   50                                                      
CONECT  109   52                                                      
CONECT  110   53                                                      
CONECT  111   54                                                      
CONECT  112   54                                                      
CONECT  113   55                                                      
CONECT  114   55                                                      
CONECT  115   56                                                      
CONECT  116   56                                                      
CONECT  117   56                                                      
CONECT  118   57                                                      
CONECT  119   57                                                      
CONECT  120   57                                                      
CONECT  121   58                                                      
CONECT  122   58                                                      
CONECT  123   58                                                      
CONECT  124   59                                                      
CONECT  125   59                                                      
CONECT  126   59                                                      
CONECT  127   60                                                      
CONECT  128   60                                                      
CONECT  129   60                                                      
CONECT  130   61                                                      
CONECT  131   61                                                      
CONECT  132   61                                                      
CONECT  133   62                                                      
CONECT  134   62                                                      
CONECT  135   62                                                      
CONECT  136   63                                                      
CONECT  137   63                                                      
CONECT  138   63                                                      
CONECT  139   64                                                      
CONECT  140   64                                                      
CONECT  141   64                                                      
CONECT  142   65                                                      
CONECT  143   65                                                      
CONECT  144   65                                                      
MASTER        0    0    0    0    0    0    0    0  144    0  144    0
END
