COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.076  -0.586   1.870  1.00  0.00           C  
HETATM    2  C   UNL     1       0.858  -0.860   3.356  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.039   0.211   3.961  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.377   0.322   3.230  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.213   0.364   1.729  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.546   0.340   0.983  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.293   0.826  -0.452  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.283  -0.066  -1.154  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.026  -0.293  -0.330  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.269  -0.672   1.128  1.00  0.00           C  
HETATM   11  C   UNL     1       0.841  -1.296  -1.054  1.00  0.00           C  
HETATM   12  C   UNL     1       0.912  -1.183  -2.517  1.00  0.00           C  
HETATM   13  C   UNL     1       0.122  -0.342  -3.196  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.903   0.518  -2.525  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.151   0.735  -3.366  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.848   0.899  -4.852  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.051  -0.287  -5.380  1.00  0.00           C  
HETATM   18  C   UNL     1       0.314  -0.313  -4.700  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.795  -2.095   1.269  1.00  0.00           C  
HETATM   20  C   UNL     1       1.132   0.915  -5.085  1.00  0.00           C  
HETATM   21  C   UNL     1       1.297   1.028  -6.599  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.071   1.043  -7.277  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.884  -0.186  -6.896  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.318  -0.789   3.694  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.006   1.664   3.683  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.958  -1.416  -1.447  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.270   1.895  -2.284  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.792  -1.594  -5.073  1.00  0.00           C  
HETATM   29  C   UNL     1       0.568   0.316   6.305  1.00  0.00           C  
HETATM   30  C   UNL     1       0.311  -0.008   7.754  1.00  0.00           C  
HETATM   31  C   UNL     1       1.429   0.582   8.615  1.00  0.00           C  
HETATM   32  C   UNL     1       1.172   0.256  10.064  1.00  0.00           C  
HETATM   33  C   UNL     1       2.131  -0.110  -7.121  1.00  0.00           C  
HETATM   34  C   UNL     1       2.017   2.348  -6.916  1.00  0.00           C  
HETATM   35  O   UNL     1      -0.287  -0.103   5.360  1.00  0.00           O  
HETATM   36  O   UNL     1       1.480  -2.157  -0.481  1.00  0.00           O  
HETATM   37  O   UNL     1       1.545   0.955   5.993  1.00  0.00           O  
HETATM   38  O   UNL     1       0.195  -0.382  10.375  1.00  0.00           O  
HETATM   39  O   UNL     1       2.029   0.676  11.008  1.00  0.00           O  
HETATM   40  O   UNL     1       2.561  -0.943  -6.359  1.00  0.00           O  
HETATM   41  O   UNL     1       2.398  -0.200  -8.433  1.00  0.00           O  
HETATM   42  H   UNL     1       1.490   0.412   1.737  1.00  0.00           H  
HETATM   43  H   UNL     1       1.761  -1.324   1.460  1.00  0.00           H  
HETATM   44  H   UNL     1       1.835  -0.825   3.862  1.00  0.00           H  
HETATM   45  H   UNL     1       0.441  -1.848   3.520  1.00  0.00           H  
HETATM   46  H   UNL     1       0.472   1.178   3.910  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.756   1.358   1.492  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.981  -0.650   0.969  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.252   1.030   1.452  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.242   0.808  -0.996  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.944   1.857  -0.396  1.00  0.00           H  
HETATM   52  H   UNL     1       0.550   0.657  -0.292  1.00  0.00           H  
HETATM   53  H   UNL     1       1.619  -1.794  -3.063  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.627   1.677  -3.024  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.900  -0.036  -3.232  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.293   1.823  -5.016  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.794   0.966  -5.402  1.00  0.00           H  
HETATM   58  H   UNL     1       0.849  -1.222  -5.002  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.751  -2.396   2.315  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.828  -2.136   0.922  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.184  -2.769   0.670  1.00  0.00           H  
HETATM   62  H   UNL     1       0.636   1.820  -4.728  1.00  0.00           H  
HETATM   63  H   UNL     1       2.120   0.856  -4.620  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.611   1.946  -6.982  1.00  0.00           H  
HETATM   65  H   UNL     1       0.067   1.064  -8.362  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.877  -0.116  -7.353  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.403  -1.091  -7.268  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.513  -0.679   4.760  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.257  -0.724   3.144  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.854  -1.758   3.508  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.106   1.670   4.768  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.366   2.489   3.372  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.990   1.776   3.227  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.744  -1.277  -2.189  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.216  -2.117  -1.831  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.391  -1.812  -0.528  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.012   2.348  -3.241  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.979   2.534  -1.758  1.00  0.00           H  
HETATM   79  H   UNL     1       0.630   1.780  -1.682  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.767  -1.581  -5.560  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.211  -2.437  -5.446  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.925  -1.691  -3.996  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.644   0.416   8.057  1.00  0.00           H  
HETATM   84  H   UNL     1       0.286  -1.090   7.884  1.00  0.00           H  
HETATM   85  H   UNL     1       2.386   0.156   8.311  1.00  0.00           H  
HETATM   86  H   UNL     1       1.455   1.663   8.485  1.00  0.00           H  
HETATM   87  H   UNL     1       2.142   2.443  -7.994  1.00  0.00           H  
HETATM   88  H   UNL     1       1.424   3.184  -6.544  1.00  0.00           H  
HETATM   89  H   UNL     1       2.995   2.353  -6.434  1.00  0.00           H  
HETATM   90  H   UNL     1       1.864   0.467  11.938  1.00  0.00           H  
HETATM   91  H   UNL     1       2.934  -0.932  -8.769  1.00  0.00           H  
CONECT    1    2   10   42   43                                       
CONECT    2    1    3   44   45                                       
CONECT    3    2    4   35   46                                       
CONECT    4    3    5   24   25                                       
CONECT    5    4    6   10   47                                       
CONECT    6    5    7   48   49                                       
CONECT    7    6    8   50   51                                       
CONECT    8    7    9   14   26                                       
CONECT    9    8   10   11   52                                       
CONECT   10    1    5    9   19                                       
CONECT   11    9   12   36   36                                       
CONECT   12   11   13   13   53                                       
CONECT   13   12   12   14   18                                       
CONECT   14    8   13   15   27                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   17   56   57                                       
CONECT   17   16   18   23   28                                       
CONECT   18   13   17   20   58                                       
CONECT   19   10   59   60   61                                       
CONECT   20   18   21   62   63                                       
CONECT   21   20   22   33   34                                       
CONECT   22   21   23   64   65                                       
CONECT   23   17   22   66   67                                       
CONECT   24    4   68   69   70                                       
CONECT   25    4   71   72   73                                       
CONECT   26    8   74   75   76                                       
CONECT   27   14   77   78   79                                       
CONECT   28   17   80   81   82                                       
CONECT   29   30   35   37   37                                       
CONECT   30   29   31   83   84                                       
CONECT   31   30   32   85   86                                       
CONECT   32   31   38   38   39                                       
CONECT   33   21   40   40   41                                       
CONECT   34   21   87   88   89                                       
CONECT   35    3   29                                                 
CONECT   36   11   11                                                 
CONECT   37   29   29                                                 
CONECT   38   32   32                                                 
CONECT   39   32   90                                                 
CONECT   40   33   33                                                 
CONECT   41   33   91                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    9                                                      
CONECT   53   12                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   34                                                      
CONECT   90   39                                                      
CONECT   91   41                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
