COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.258  -1.885   3.288  1.00  0.00           C  
HETATM    2  C   UNL     1       6.565  -1.516   1.835  1.00  0.00           C  
HETATM    3  C   UNL     1       5.487  -0.565   1.311  1.00  0.00           C  
HETATM    4  C   UNL     1       5.794  -0.197  -0.141  1.00  0.00           C  
HETATM    5  C   UNL     1       4.653   0.653  -0.704  1.00  0.00           C  
HETATM    6  C   UNL     1       6.172   1.951  -2.204  1.00  0.00           C  
HETATM    7  C   UNL     1       0.936  -0.246  -0.537  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.367   0.288   0.057  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.523   0.162   1.091  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.793   0.816   0.541  1.00  0.00           C  
HETATM   11  O   UNL     1      -9.854   2.174   0.986  1.00  0.00           O  
HETATM   12  C   UNL     1      -8.730   2.962   0.587  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.449   2.329   1.137  1.00  0.00           C  
HETATM   14  N   UNL     1      -7.352   0.941   0.663  1.00  0.00           N  
HETATM   15  C   UNL     1      -6.105   0.314   1.123  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.930   0.992   0.468  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.113   1.908  -0.306  1.00  0.00           O  
HETATM   18  N   UNL     1      -3.676   0.581   0.742  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.533   1.240   0.105  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.146   2.481   0.911  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.478  -0.831   0.510  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.199   0.680  -0.490  1.00  0.00           N  
HETATM   23  C   UNL     1       0.820  -1.132  -1.779  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.403  -2.005  -1.661  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.618  -1.560  -2.149  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.740  -2.359  -2.042  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.647  -3.608  -1.445  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.750  -4.395  -1.339  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.580  -5.668  -0.713  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.427  -4.051  -0.957  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.306  -3.252  -1.071  1.00  0.00           C  
HETATM   32  C   UNL     1       2.221   0.538  -0.597  1.00  0.00           C  
HETATM   33  O   UNL     1       2.193   1.750  -0.600  1.00  0.00           O  
HETATM   34  N   UNL     1       3.403  -0.109  -0.646  1.00  0.00           N  
HETATM   35  C   UNL     1       5.467   0.703   2.166  1.00  0.00           C  
HETATM   36  C   UNL     1       5.159   0.334   3.619  1.00  0.00           C  
HETATM   37  C   UNL     1       6.238  -0.617   4.143  1.00  0.00           C  
HETATM   38  C   UNL     1       5.930  -0.985   5.595  1.00  0.00           C  
HETATM   39  C   UNL     1       4.959   1.020  -2.158  1.00  0.00           C  
HETATM   40  O   UNL     1       3.829   1.681  -2.730  1.00  0.00           O  
HETATM   41  C   UNL     1       6.384   2.443  -3.637  1.00  0.00           C  
HETATM   42  C   UNL     1       5.930   3.150  -1.284  1.00  0.00           C  
HETATM   43  O   UNL     1       7.334   1.243  -1.767  1.00  0.00           O  
HETATM   44  H   UNL     1       5.285  -2.374   3.340  1.00  0.00           H  
HETATM   45  H   UNL     1       7.026  -2.562   3.661  1.00  0.00           H  
HETATM   46  H   UNL     1       7.538  -1.027   1.782  1.00  0.00           H  
HETATM   47  H   UNL     1       6.580  -2.420   1.226  1.00  0.00           H  
HETATM   48  H   UNL     1       4.514  -1.055   1.364  1.00  0.00           H  
HETATM   49  H   UNL     1       6.724   0.371  -0.183  1.00  0.00           H  
HETATM   50  H   UNL     1       5.897  -1.106  -0.734  1.00  0.00           H  
HETATM   51  H   UNL     1       4.552   1.563  -0.113  1.00  0.00           H  
HETATM   52  H   UNL     1       0.932  -0.871   0.356  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.567   0.139   2.180  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.442  -0.856   0.708  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.773   0.790  -0.548  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.667   0.275   0.903  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.679   2.999  -0.502  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.835   3.973   0.980  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.584   2.894   0.787  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.475   2.342   2.226  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.026   0.415   2.206  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.110  -0.743   0.856  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.530  -0.151   1.361  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.803   1.536  -0.909  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.296   2.972   0.437  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.990   3.170   0.946  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.876   2.186   1.925  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.109   1.575  -0.853  1.00  0.00           H  
HETATM   69  H   UNL     1       0.734  -0.504  -2.666  1.00  0.00           H  
HETATM   70  H   UNL     1       1.708  -1.759  -1.862  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.689  -0.588  -2.613  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.689  -2.010  -2.422  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.535  -6.194  -0.693  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.854  -6.255  -1.275  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.222  -5.527   0.307  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.351  -5.025  -0.496  1.00  0.00           H  
HETATM   77  H   UNL     1       0.644  -3.597  -0.692  1.00  0.00           H  
HETATM   78  H   UNL     1       3.426  -1.079  -0.644  1.00  0.00           H  
HETATM   79  H   UNL     1       6.439   1.192   2.114  1.00  0.00           H  
HETATM   80  H   UNL     1       4.699   1.381   1.793  1.00  0.00           H  
HETATM   81  H   UNL     1       5.145   1.238   4.228  1.00  0.00           H  
HETATM   82  H   UNL     1       4.187  -0.155   3.672  1.00  0.00           H  
HETATM   83  H   UNL     1       7.210  -0.127   4.090  1.00  0.00           H  
HETATM   84  H   UNL     1       6.698  -1.663   5.969  1.00  0.00           H  
HETATM   85  H   UNL     1       5.916  -0.082   6.205  1.00  0.00           H  
HETATM   86  H   UNL     1       4.958  -1.475   5.648  1.00  0.00           H  
HETATM   87  H   UNL     1       5.176   0.114  -2.724  1.00  0.00           H  
HETATM   88  H   UNL     1       3.023   1.148  -2.735  1.00  0.00           H  
HETATM   89  H   UNL     1       5.539   3.063  -3.937  1.00  0.00           H  
HETATM   90  H   UNL     1       7.301   3.029  -3.688  1.00  0.00           H  
HETATM   91  H   UNL     1       6.462   1.587  -4.307  1.00  0.00           H  
HETATM   92  H   UNL     1       5.779   2.800  -0.263  1.00  0.00           H  
HETATM   93  H   UNL     1       6.794   3.813  -1.316  1.00  0.00           H  
HETATM   94  H   UNL     1       5.044   3.690  -1.617  1.00  0.00           H  
HETATM   95  H   UNL     1       7.548   0.469  -2.305  1.00  0.00           H  
CONECT    1    2   37   44   45                                       
CONECT    2    1    3   46   47                                       
CONECT    3    2    4   35   48                                       
CONECT    4    5    3   49   50                                       
CONECT    5   34    4   39   51                                       
CONECT    6   42   43   39   41                                       
CONECT    7   22   23   32   52                                       
CONECT    8   19   21   21   22                                       
CONECT    9   10   14   53   54                                       
CONECT   10    9   11   55   56                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   57   58                                       
CONECT   13   14   12   59   60                                       
CONECT   14   15    9   13                                            
CONECT   15   16   14   61   62                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   63                                            
CONECT   19   18   20    8   64                                       
CONECT   20   19   65   66   67                                       
CONECT   21    8    8                                                 
CONECT   22    8    7   68                                            
CONECT   23   24    7   69   70                                       
CONECT   24   31   23   25   25                                       
CONECT   25   24   24   26   71                                       
CONECT   26   27   27   25   72                                       
CONECT   27   30   28   26   26                                       
CONECT   28   27   29                                                 
CONECT   29   28   73   74   75                                       
CONECT   30   31   31   27   76                                       
CONECT   31   30   30   24   77                                       
CONECT   32    7   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32    5   78                                            
CONECT   35    3   36   79   80                                       
CONECT   36   37   35   81   82                                       
CONECT   37    1   38   36   83                                       
CONECT   38   37   84   85   86                                       
CONECT   39    5    6   40   87                                       
CONECT   40   39   88                                                 
CONECT   41    6   89   90   91                                       
CONECT   42    6   92   93   94                                       
CONECT   43    6   95                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    7                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
