COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1       5.881  -0.007  -0.575  1.00  0.00           O  
HETATM    2  C   UNL     1       4.926   0.261   0.116  1.00  0.00           C  
HETATM    3  C   UNL     1       4.921   1.524   0.937  1.00  0.00           C  
HETATM    4  C   UNL     1       5.128   1.174   2.412  1.00  0.00           C  
HETATM    5  C   UNL     1       6.050   2.443   0.467  1.00  0.00           C  
HETATM    6  C   UNL     1       5.968   3.775   1.215  1.00  0.00           C  
HETATM    7  O   UNL     1       3.870  -0.567   0.150  1.00  0.00           O  
HETATM    8  C   UNL     1       3.921  -1.838  -0.549  1.00  0.00           C  
HETATM    9  C   UNL     1       4.607  -2.870   0.344  1.00  0.00           C  
HETATM   10  C   UNL     1       4.627  -4.214  -0.396  1.00  0.00           C  
HETATM   11  C   UNL     1       5.342  -5.265   0.455  1.00  0.00           C  
HETATM   12  C   UNL     1       3.196  -4.629  -0.627  1.00  0.00           C  
HETATM   13  C   UNL     1       2.255  -3.727  -0.836  1.00  0.00           C  
HETATM   14  C   UNL     1       2.517  -2.253  -0.915  1.00  0.00           C  
HETATM   15  C   UNL     1       0.850  -4.167  -1.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.127  -3.281  -0.914  1.00  0.00           C  
HETATM   17  C   UNL     1       0.082  -1.817  -0.672  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.049  -1.069  -2.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.462  -1.533  -0.075  1.00  0.00           C  
HETATM   20  C   UNL     1       1.727  -0.027  -0.090  1.00  0.00           C  
HETATM   21  C   UNL     1       0.447   0.721   0.289  1.00  0.00           C  
HETATM   22  C   UNL     1       0.671   2.226   0.134  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.503   2.940   0.620  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.026   4.012   0.031  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.981   4.549   0.553  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.500   4.591  -1.251  1.00  0.00           C  
HETATM   27  C   UNL     1       0.917   4.076  -1.512  1.00  0.00           C  
HETATM   28  O   UNL     1       1.314   4.409  -2.844  1.00  0.00           O  
HETATM   29  C   UNL     1       0.918   2.552  -1.339  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.143   2.448   1.843  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.222   1.460   1.483  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.258   0.221   2.119  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.219  -0.694   1.817  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.192  -0.388   0.849  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.199  -1.307   0.512  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.255  -2.652   1.189  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.064  -2.561   2.363  1.00  0.00           O  
HETATM   38  C   UNL     1      -6.128  -0.974  -0.433  1.00  0.00           C  
HETATM   39  O   UNL     1      -7.102  -1.864  -0.758  1.00  0.00           O  
HETATM   40  C   UNL     1      -7.911  -1.243  -1.759  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.090   0.270  -1.069  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.127   1.182  -0.765  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.155   0.873   0.202  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.150   1.794   0.545  1.00  0.00           C  
HETATM   45  H   UNL     1       3.964   2.032   0.816  1.00  0.00           H  
HETATM   46  H   UNL     1       4.312   0.537   2.753  1.00  0.00           H  
HETATM   47  H   UNL     1       6.074   0.646   2.531  1.00  0.00           H  
HETATM   48  H   UNL     1       5.146   2.089   3.004  1.00  0.00           H  
HETATM   49  H   UNL     1       5.952   2.621  -0.603  1.00  0.00           H  
HETATM   50  H   UNL     1       7.011   1.971   0.671  1.00  0.00           H  
HETATM   51  H   UNL     1       6.773   4.430   0.880  1.00  0.00           H  
HETATM   52  H   UNL     1       5.007   4.248   1.012  1.00  0.00           H  
HETATM   53  H   UNL     1       6.066   3.598   2.286  1.00  0.00           H  
HETATM   54  H   UNL     1       4.504  -1.717  -1.462  1.00  0.00           H  
HETATM   55  H   UNL     1       5.629  -2.552   0.554  1.00  0.00           H  
HETATM   56  H   UNL     1       4.055  -2.972   1.278  1.00  0.00           H  
HETATM   57  H   UNL     1       5.138  -4.103  -1.352  1.00  0.00           H  
HETATM   58  H   UNL     1       4.818  -5.383   1.403  1.00  0.00           H  
HETATM   59  H   UNL     1       5.353  -6.217  -0.076  1.00  0.00           H  
HETATM   60  H   UNL     1       6.366  -4.944   0.644  1.00  0.00           H  
HETATM   61  H   UNL     1       2.938  -5.678  -0.621  1.00  0.00           H  
HETATM   62  H   UNL     1       2.360  -1.956  -1.952  1.00  0.00           H  
HETATM   63  H   UNL     1       0.626  -5.206  -1.189  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.141  -3.635  -1.025  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.683  -1.458   0.016  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.043  -1.234  -2.413  1.00  0.00           H  
HETATM   67  H   UNL     1       0.103  -0.002  -1.832  1.00  0.00           H  
HETATM   68  H   UNL     1       0.702  -1.436  -2.700  1.00  0.00           H  
HETATM   69  H   UNL     1       1.499  -1.901   0.950  1.00  0.00           H  
HETATM   70  H   UNL     1       2.513   0.211   0.627  1.00  0.00           H  
HETATM   71  H   UNL     1       2.043   0.277  -1.089  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.365   0.405  -0.365  1.00  0.00           H  
HETATM   73  H   UNL     1       0.189   0.496   1.324  1.00  0.00           H  
HETATM   74  H   UNL     1       1.541   2.523   0.720  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.482   5.678  -1.177  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.150   4.296  -2.075  1.00  0.00           H  
HETATM   77  H   UNL     1       1.609   4.526  -0.800  1.00  0.00           H  
HETATM   78  H   UNL     1       1.299   5.374  -2.907  1.00  0.00           H  
HETATM   79  H   UNL     1       1.884   2.150  -1.645  1.00  0.00           H  
HETATM   80  H   UNL     1       0.128   2.114  -1.948  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.398   1.960   2.471  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.583   3.285   2.385  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.512  -0.017   2.862  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.234  -1.651   2.317  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.685  -3.385   0.507  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.247  -2.961   1.466  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.074  -3.441   2.765  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.710  -1.924  -2.053  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.343  -0.326  -1.359  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.297  -1.007  -2.628  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.835   0.511  -1.812  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.110   2.139  -1.265  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.112   2.760   0.063  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    7                                       
CONECT    3    2    4    5   45                                       
CONECT    4    3   46   47   48                                       
CONECT    5    3    6   49   50                                       
CONECT    6    5   51   52   53                                       
CONECT    7    2    8                                                 
CONECT    8    7    9   14   54                                       
CONECT    9    8   10   55   56                                       
CONECT   10    9   11   12   57                                       
CONECT   11   10   58   59   60                                       
CONECT   12   10   13   13   61                                       
CONECT   13   12   12   14   15                                       
CONECT   14    8   13   19   62                                       
CONECT   15   13   16   16   63                                       
CONECT   16   15   15   17   64                                       
CONECT   17   16   18   19   65                                       
CONECT   18   17   66   67   68                                       
CONECT   19   14   17   20   69                                       
CONECT   20   19   21   70   71                                       
CONECT   21   20   22   72   73                                       
CONECT   22   21   23   29   74                                       
CONECT   23   22   24   30                                            
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   75   76                                       
CONECT   27   26   28   29   77                                       
CONECT   28   27   78                                                 
CONECT   29   22   27   79   80                                       
CONECT   30   23   31   81   82                                       
CONECT   31   30   32   32   44                                       
CONECT   32   31   31   33   83                                       
CONECT   33   32   34   34   84                                       
CONECT   34   33   33   35   43                                       
CONECT   35   34   36   38   38                                       
CONECT   36   35   37   85   86                                       
CONECT   37   36   87                                                 
CONECT   38   35   35   39   41                                       
CONECT   39   38   40                                                 
CONECT   40   39   88   89   90                                       
CONECT   41   38   42   42   91                                       
CONECT   42   41   41   43   92                                       
CONECT   43   34   42   44   44                                       
CONECT   44   31   43   43   93                                       
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   44                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
