COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.824   1.712  -0.869  1.00  0.00           C  
HETATM    2  C   UNL     1       2.461   1.040  -0.615  1.00  0.00           C  
HETATM    3  C   UNL     1       2.595   2.988   0.583  1.00  0.00           C  
HETATM    4  C   UNL     1       0.502   1.770   0.851  1.00  0.00           C  
HETATM    5  C   UNL     1       0.021   2.620   1.809  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.267   2.413   2.323  1.00  0.00           C  
HETATM    7  N   UNL     1       1.786   1.953   0.320  1.00  0.00           N  
HETATM    8  N   UNL     1      -1.542   0.536   0.922  1.00  0.00           N  
HETATM    9  N   UNL     1      -5.124   1.344  -1.013  1.00  0.00           N  
HETATM   10  O   UNL     1       0.106  -0.066  -0.445  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.019   1.383   1.874  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.381  -0.567   0.449  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.569  -0.013  -0.294  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.060   1.241  -0.187  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.364  -0.709  -1.226  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.180  -2.120  -1.648  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.948  -2.646  -2.684  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.969  -1.782  -3.380  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.773  -3.959  -3.073  1.00  0.00           C  
HETATM   20  O   UNL     1       5.439   0.967   0.683  1.00  0.00           O  
HETATM   21  O   UNL     1       7.821   1.001  -0.620  1.00  0.00           O  
HETATM   22  C   UNL     1       7.765  -0.205  -0.505  1.00  0.00           C  
HETATM   23  N   UNL     1       8.823  -0.973  -0.096  1.00  0.00           N  
HETATM   24  C   UNL     1       8.514  -2.419  -0.033  1.00  0.00           C  
HETATM   25  C   UNL     1       7.344  -2.613   0.939  1.00  0.00           C  
HETATM   26  C   UNL     1       6.144  -1.782   0.478  1.00  0.00           C  
HETATM   27  C   UNL     1       8.071  -2.872  -1.429  1.00  0.00           C  
HETATM   28  C   UNL     1       6.871  -2.041  -1.888  1.00  0.00           C  
HETATM   29  C   UNL     1       6.508  -1.017  -0.795  1.00  0.00           C  
HETATM   30  N   UNL     1       5.414  -0.148  -1.235  1.00  0.00           N  
HETATM   31  C   UNL     1       4.950   0.818  -0.417  1.00  0.00           C  
HETATM   32  O   UNL     1       2.286   3.897   1.330  1.00  0.00           O  
HETATM   33  N   UNL     1       3.773   2.932  -0.050  1.00  0.00           N  
HETATM   34  C   UNL     1       4.843   3.928   0.056  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.308   0.701   0.409  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.859  -1.375   1.628  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.097  -1.117   2.187  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.535  -1.858   3.269  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.737  -2.858   3.790  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.214  -3.666   4.970  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.500  -3.118   3.230  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.063  -2.379   2.147  1.00  0.00           C  
HETATM   43  N   UNL     1      -5.298   0.112  -1.655  1.00  0.00           N  
HETATM   44  C   UNL     1      -5.955   2.536  -1.199  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.024   3.343   0.114  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.921   4.419  -0.042  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.024   4.799  -1.540  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.319   3.463  -2.251  1.00  0.00           C  
HETATM   49  C   UNL     1      -3.234  -2.922  -1.013  1.00  0.00           C  
HETATM   50  C   UNL     1      -3.067  -4.234  -1.410  1.00  0.00           C  
HETATM   51  C   UNL     1      -3.837  -4.752  -2.435  1.00  0.00           C  
HETATM   52  H   UNL     1       3.936   1.963  -1.924  1.00  0.00           H  
HETATM   53  H   UNL     1       1.896   0.957  -1.543  1.00  0.00           H  
HETATM   54  H   UNL     1       2.596   0.059  -0.160  1.00  0.00           H  
HETATM   55  H   UNL     1       0.626   3.441   2.164  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.659   3.077   3.080  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.011   1.232   2.273  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.801  -1.205  -0.217  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.671   2.023   0.448  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.502  -1.278  -4.226  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.790  -2.405  -3.736  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.353  -1.039  -2.681  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.368  -4.367  -3.876  1.00  0.00           H  
HETATM   64  H   UNL     1       9.691  -0.605   0.130  1.00  0.00           H  
HETATM   65  H   UNL     1       9.385  -2.982   0.302  1.00  0.00           H  
HETATM   66  H   UNL     1       7.066  -3.666   0.966  1.00  0.00           H  
HETATM   67  H   UNL     1       7.644  -2.293   1.936  1.00  0.00           H  
HETATM   68  H   UNL     1       5.300  -2.443   0.278  1.00  0.00           H  
HETATM   69  H   UNL     1       5.872  -1.073   1.260  1.00  0.00           H  
HETATM   70  H   UNL     1       8.895  -2.736  -2.130  1.00  0.00           H  
HETATM   71  H   UNL     1       7.792  -3.925  -1.399  1.00  0.00           H  
HETATM   72  H   UNL     1       7.122  -1.518  -2.810  1.00  0.00           H  
HETATM   73  H   UNL     1       6.019  -2.699  -2.064  1.00  0.00           H  
HETATM   74  H   UNL     1       5.023  -0.267  -2.115  1.00  0.00           H  
HETATM   75  H   UNL     1       4.706   4.690  -0.711  1.00  0.00           H  
HETATM   76  H   UNL     1       4.809   4.394   1.041  1.00  0.00           H  
HETATM   77  H   UNL     1       5.808   3.441  -0.084  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.721  -0.335   1.780  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.502  -1.655   3.706  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.762  -4.539   4.614  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.357  -3.990   5.560  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.870  -3.053   5.588  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.876  -3.900   3.638  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.098  -2.585   1.707  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.957   2.247  -1.515  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.002   3.812   0.222  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.815   2.700   0.968  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.130   5.281   0.591  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.940   4.001   0.184  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.840   5.504  -1.699  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.082   5.220  -1.892  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.392   3.025  -2.622  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.013   3.623  -3.076  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.632  -2.519  -0.212  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.334  -4.856  -0.918  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.703  -5.779  -2.742  1.00  0.00           H  
CONECT    1   31    2   33   52                                       
CONECT    2    7    1   53   54                                       
CONECT    3    7   33   32   32                                       
CONECT    4   35    7    5    5                                       
CONECT    5    4    4    6   55                                       
CONECT    6   11   11    5   56                                       
CONECT    7    2    4    3                                            
CONECT    8   12   35   11                                            
CONECT    9   44   43   14                                            
CONECT   10   35   35                                                 
CONECT   11    8    6    6   57                                       
CONECT   12   13   36    8   58                                       
CONECT   13   14   14   15   12                                       
CONECT   14    9   13   13   59                                       
CONECT   15   43   43   16   13                                       
CONECT   16   15   49   17   17                                       
CONECT   17   16   16   19   18                                       
CONECT   18   17   60   61   62                                       
CONECT   19   51   51   17   63                                       
CONECT   20   31   31                                                 
CONECT   21   22   22                                                 
CONECT   22   23   29   21   21                                       
CONECT   23   24   22   64                                            
CONECT   24   27   25   23   65                                       
CONECT   25   24   26   66   67                                       
CONECT   26   25   29   68   69                                       
CONECT   27   28   24   70   71                                       
CONECT   28   27   29   72   73                                       
CONECT   29   28   22   26   30                                       
CONECT   30   29   31   74                                            
CONECT   31   20   20   30    1                                       
CONECT   32    3    3                                                 
CONECT   33    1    3   34                                            
CONECT   34   33   75   76   77                                       
CONECT   35   10   10    8    4                                       
CONECT   36   37   12   42   42                                       
CONECT   37   38   38   36   78                                       
CONECT   38   37   37   39   79                                       
CONECT   39   38   40   41   41                                       
CONECT   40   39   80   81   82                                       
CONECT   41   39   39   42   83                                       
CONECT   42   36   36   41   84                                       
CONECT   43    9   15   15                                            
CONECT   44   45   48    9   85                                       
CONECT   45   46   44   86   87                                       
CONECT   46   47   45   88   89                                       
CONECT   47   46   48   90   91                                       
CONECT   48   47   44   92   93                                       
CONECT   49   50   50   16   94                                       
CONECT   50   49   49   51   95                                       
CONECT   51   50   19   19   96                                       
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   14                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   30                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   44                                                      
CONECT   86   45                                                      
CONECT   87   45                                                      
CONECT   88   46                                                      
CONECT   89   46                                                      
CONECT   90   47                                                      
CONECT   91   47                                                      
CONECT   92   48                                                      
CONECT   93   48                                                      
CONECT   94   49                                                      
CONECT   95   50                                                      
CONECT   96   51                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
