COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.851  -2.609   1.012  1.00  0.00           O  
HETATM    2  C   UNL     1       0.798  -1.431   1.294  1.00  0.00           C  
HETATM    3  C   UNL     1       2.064  -0.617   1.368  1.00  0.00           C  
HETATM    4  N   UNL     1       3.211  -1.512   1.539  1.00  0.00           N  
HETATM    5  C   UNL     1       2.231   0.186   0.077  1.00  0.00           C  
HETATM    6  C   UNL     1       3.429   1.092   0.199  1.00  0.00           C  
HETATM    7  C   UNL     1       3.279   2.369   0.707  1.00  0.00           C  
HETATM    8  C   UNL     1       4.376   3.201   0.821  1.00  0.00           C  
HETATM    9  C   UNL     1       5.628   2.755   0.424  1.00  0.00           C  
HETATM   10  C   UNL     1       5.776   1.473  -0.085  1.00  0.00           C  
HETATM   11  C   UNL     1       4.677   0.642  -0.191  1.00  0.00           C  
HETATM   12  O   UNL     1       6.708   3.572   0.534  1.00  0.00           O  
HETATM   13  C   UNL     1       7.966   3.046   0.107  1.00  0.00           C  
HETATM   14  C   UNL     1       9.038   4.087   0.302  1.00  0.00           C  
HETATM   15  C   UNL     1       9.325   4.983  -0.711  1.00  0.00           C  
HETATM   16  C   UNL     1      10.309   5.937  -0.532  1.00  0.00           C  
HETATM   17  C   UNL     1      11.006   5.996   0.660  1.00  0.00           C  
HETATM   18  C   UNL     1      10.719   5.100   1.673  1.00  0.00           C  
HETATM   19  C   UNL     1       9.732   4.149   1.496  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.393  -0.849   1.536  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.624  -1.639   1.457  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.787  -0.729   1.155  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.605   0.463   1.018  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.863  -2.344   2.794  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.029  -1.239   1.036  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.159  -0.354   0.742  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.260  -0.142  -0.770  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.020   0.607  -1.264  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.842  -0.167  -1.028  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.914   1.959  -0.591  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.793   2.164   0.598  1.00  0.00           O  
HETATM   32  N   UNL     1      -3.979   2.888  -1.559  1.00  0.00           N  
HETATM   33  C   UNL     1      -4.118   2.322  -2.827  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.221   2.916  -4.084  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.353   2.132  -5.211  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.385   0.754  -5.105  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.284   0.157  -3.860  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.152   0.937  -2.733  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.432  -0.981   1.247  1.00  0.00           C  
HETATM   40  O   UNL     1      -6.399  -2.060   1.799  1.00  0.00           O  
HETATM   41  N   UNL     1      -7.608  -0.342   1.086  1.00  0.00           N  
HETATM   42  C   UNL     1      -8.846  -0.952   1.578  1.00  0.00           C  
HETATM   43  C   UNL     1     -10.009  -0.042   1.275  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.693  -0.169   0.081  1.00  0.00           C  
HETATM   45  C   UNL     1     -11.759   0.666  -0.197  1.00  0.00           C  
HETATM   46  C   UNL     1     -12.142   1.628   0.720  1.00  0.00           C  
HETATM   47  C   UNL     1     -11.458   1.754   1.914  1.00  0.00           C  
HETATM   48  C   UNL     1     -10.394   0.916   2.194  1.00  0.00           C  
HETATM   49  C   UNL     1       3.480  -2.448   0.606  1.00  0.00           C  
HETATM   50  O   UNL     1       2.773  -2.548  -0.373  1.00  0.00           O  
HETATM   51  C   UNL     1       4.660  -3.368   0.781  1.00  0.00           C  
HETATM   52  C   UNL     1       4.740  -4.327  -0.408  1.00  0.00           C  
HETATM   53  C   UNL     1       5.938  -5.262  -0.230  1.00  0.00           C  
HETATM   54  C   UNL     1       6.017  -6.221  -1.420  1.00  0.00           C  
HETATM   55  C   UNL     1       7.197  -7.142  -1.245  1.00  0.00           C  
HETATM   56  O   UNL     1       7.902  -7.042  -0.269  1.00  0.00           O  
HETATM   57  O   UNL     1       7.465  -8.074  -2.173  1.00  0.00           O  
HETATM   58  H   UNL     1       2.007   0.066   2.216  1.00  0.00           H  
HETATM   59  H   UNL     1       3.777  -1.432   2.322  1.00  0.00           H  
HETATM   60  H   UNL     1       2.377  -0.498  -0.760  1.00  0.00           H  
HETATM   61  H   UNL     1       1.338   0.786  -0.096  1.00  0.00           H  
HETATM   62  H   UNL     1       2.304   2.716   1.016  1.00  0.00           H  
HETATM   63  H   UNL     1       4.258   4.199   1.217  1.00  0.00           H  
HETATM   64  H   UNL     1       6.749   1.123  -0.394  1.00  0.00           H  
HETATM   65  H   UNL     1       4.792  -0.357  -0.583  1.00  0.00           H  
HETATM   66  H   UNL     1       8.208   2.160   0.694  1.00  0.00           H  
HETATM   67  H   UNL     1       7.908   2.777  -0.948  1.00  0.00           H  
HETATM   68  H   UNL     1       8.780   4.937  -1.643  1.00  0.00           H  
HETATM   69  H   UNL     1      10.533   6.636  -1.324  1.00  0.00           H  
HETATM   70  H   UNL     1      11.776   6.741   0.799  1.00  0.00           H  
HETATM   71  H   UNL     1      11.264   5.146   2.604  1.00  0.00           H  
HETATM   72  H   UNL     1       9.505   3.452   2.289  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.435   0.094   1.762  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.529  -2.382   0.666  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.022  -3.002   3.013  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.958  -1.601   3.585  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.779  -2.932   2.736  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.006   0.606   1.234  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.323  -1.109  -1.269  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.152   0.443  -0.996  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.026   0.260  -1.322  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.934   3.843  -1.396  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.196   3.992  -4.175  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.432   2.598  -6.182  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.489   0.145  -5.990  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.308  -0.919  -3.773  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.174  -2.191   1.145  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.634   0.521   0.645  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.999  -1.912   1.086  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.774  -1.103   2.655  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.394  -0.920  -0.636  1.00  0.00           H  
HETATM   92  H   UNL     1     -12.293   0.567  -1.130  1.00  0.00           H  
HETATM   93  H   UNL     1     -12.974   2.280   0.502  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.756   2.505   2.631  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.862   1.013   3.129  1.00  0.00           H  
HETATM   96  H   UNL     1       5.576  -2.780   0.835  1.00  0.00           H  
HETATM   97  H   UNL     1       4.541  -3.940   1.702  1.00  0.00           H  
HETATM   98  H   UNL     1       3.824  -4.916  -0.462  1.00  0.00           H  
HETATM   99  H   UNL     1       4.859  -3.756  -1.328  1.00  0.00           H  
HETATM  100  H   UNL     1       6.853  -4.673  -0.176  1.00  0.00           H  
HETATM  101  H   UNL     1       5.819  -5.834   0.690  1.00  0.00           H  
HETATM  102  H   UNL     1       5.102  -6.810  -1.474  1.00  0.00           H  
HETATM  103  H   UNL     1       6.136  -5.649  -2.340  1.00  0.00           H  
HETATM  104  H   UNL     1       8.232  -8.641  -2.017  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   20                                       
CONECT    3    2    5    4   58                                       
CONECT    4    3   59   49                                            
CONECT    5    3    6   60   61                                       
CONECT    6    5   11   11    7                                       
CONECT    7    6    8    8   62                                       
CONECT    8    7    7    9   63                                       
CONECT    9    8   10   10   12                                       
CONECT   10    9    9   11   64                                       
CONECT   11    6    6   10   65                                       
CONECT   12    9   13                                                 
CONECT   13   12   14   66   67                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   68                                       
CONECT   16   15   17   17   69                                       
CONECT   17   16   16   18   70                                       
CONECT   18   17   19   19   71                                       
CONECT   19   14   18   18   72                                       
CONECT   20   21   73    2                                            
CONECT   21   20   22   24   74                                       
CONECT   22   21   23   23   25                                       
CONECT   23   22   22                                                 
CONECT   24   21   75   76   77                                       
CONECT   25   26   87   22                                            
CONECT   26   25   39   27   78                                       
CONECT   27   26   28   79   80                                       
CONECT   28   27   29   38   30                                       
CONECT   29   28   81                                                 
CONECT   30   28   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   82                                            
CONECT   33   32   38   38   34                                       
CONECT   34   33   35   35   83                                       
CONECT   35   34   34   36   84                                       
CONECT   36   35   37   37   85                                       
CONECT   37   36   36   38   86                                       
CONECT   38   28   33   33   37                                       
CONECT   39   26   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   42   88   39                                            
CONECT   42   41   43   89   90                                       
CONECT   43   42   44   44   48                                       
CONECT   44   43   43   45   91                                       
CONECT   45   44   46   46   92                                       
CONECT   46   45   45   47   93                                       
CONECT   47   46   48   48   94                                       
CONECT   48   43   47   47   95                                       
CONECT   49   50   50   51    4                                       
CONECT   50   49   49                                                 
CONECT   51   49   52   96   97                                       
CONECT   52   51   53   98   99                                       
CONECT   53   52   54  100  101                                       
CONECT   54   53   55  102  103                                       
CONECT   55   54   56   56   57                                       
CONECT   56   55   55                                                 
CONECT   57   55  104                                                 
CONECT   58    3                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    7                                                      
CONECT   63    8                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   29                                                      
CONECT   82   32                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   25                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   42                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   46                                                      
CONECT   94   47                                                      
CONECT   95   48                                                      
CONECT   96   51                                                      
CONECT   97   51                                                      
CONECT   98   52                                                      
CONECT   99   52                                                      
CONECT  100   53                                                      
CONECT  101   53                                                      
CONECT  102   54                                                      
CONECT  103   54                                                      
CONECT  104   57                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
