COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.396  -1.505   0.566  1.00  0.00           C  
HETATM    2  C   UNL     1       1.619  -3.843  -0.325  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.730  -3.212  -0.598  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.649  -2.835   0.927  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.683  -0.863   2.063  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.022   1.366  -3.971  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.454   2.188  -3.019  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.846   2.082  -1.687  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.633   2.858   0.674  1.00  0.00           C  
HETATM   10  C   UNL     1       0.887   4.608   1.276  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.070   3.677   1.632  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.979   0.437  -3.604  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.240   2.965  -0.659  1.00  0.00           C  
HETATM   14  C   UNL     1       0.723   3.900  -1.025  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.372   0.327  -2.282  1.00  0.00           C  
HETATM   16  C   UNL     1       1.289   4.724  -0.055  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.629   1.116   3.247  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.054  -2.205   0.630  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.828  -1.942   1.215  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.893  -2.303  -0.293  1.00  0.00           C  
HETATM   21  C   UNL     1       0.569  -2.058   1.126  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.009  -0.311   1.741  1.00  0.00           C  
HETATM   23  C   UNL     1       7.806  -1.146   0.598  1.00  0.00           C  
HETATM   24  N   UNL     1       2.874   6.536   0.525  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.796  -2.260  -1.446  1.00  0.00           N  
HETATM   26  N   UNL     1       6.442  -0.691   0.320  1.00  0.00           N  
HETATM   27  O   UNL     1       5.585  -2.616   1.023  1.00  0.00           O  
HETATM   28  C   UNL     1      -6.140  -1.390   0.890  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.777  -0.040   2.334  1.00  0.00           C  
HETATM   30  C   UNL     1       2.315   5.722  -0.436  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.811   1.145  -1.322  1.00  0.00           C  
HETATM   32  C   UNL     1       1.748  -1.131   0.812  1.00  0.00           C  
HETATM   33  C   UNL     1       3.005  -1.972   0.578  1.00  0.00           C  
HETATM   34  C   UNL     1       2.786  -2.896  -0.622  1.00  0.00           C  
HETATM   35  N   UNL     1       4.141  -1.086   0.310  1.00  0.00           N  
HETATM   36  N   UNL     1       0.443  -3.044   0.044  1.00  0.00           N  
HETATM   37  N   UNL     1      -5.711   1.927   3.512  1.00  0.00           N  
HETATM   38  N   UNL     1      -3.476   1.367   3.799  1.00  0.00           N  
HETATM   39  N   UNL     1       2.689   5.829  -1.679  1.00  0.00           N  
HETATM   40  O   UNL     1      -0.850  -4.094  -1.422  1.00  0.00           O  
HETATM   41  O   UNL     1      -4.172  -0.389  -0.613  1.00  0.00           O  
HETATM   42  O   UNL     1      -4.349  -1.129  -2.994  1.00  0.00           O  
HETATM   43  S   UNL     1      -3.592  -0.858  -1.823  1.00  0.00           S  
HETATM   44  H   UNL     1       1.395  -4.436  -1.212  1.00  0.00           H  
HETATM   45  H   UNL     1       1.884  -4.505   0.499  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.983  -2.848   1.789  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.001  -3.846   0.724  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.726  -0.658   2.520  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.723   1.450  -5.005  1.00  0.00           H  
HETATM   50  H   UNL     1       0.294   2.913  -3.307  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.378   2.129   0.959  1.00  0.00           H  
HETATM   52  H   UNL     1       1.324   5.247   2.029  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.378   3.591   2.663  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.421  -0.205  -4.352  1.00  0.00           H  
HETATM   55  H   UNL     1       1.031   3.986  -2.056  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.162  -3.050  -0.034  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.525  -1.299  -0.082  1.00  0.00           H  
HETATM   58  H   UNL     1       0.750  -2.573   2.069  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.348  -1.475   1.198  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.859   0.323   1.946  1.00  0.00           H  
HETATM   61  H   UNL     1       2.595   6.457   1.450  1.00  0.00           H  
HETATM   62  H   UNL     1       3.546   7.190   0.275  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.927  -3.053  -1.989  1.00  0.00           H  
HETATM   64  H   UNL     1       6.291   0.197  -0.041  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.095  -1.600   0.430  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.119   1.059  -0.291  1.00  0.00           H  
HETATM   67  H   UNL     1       1.526  -0.550  -0.083  1.00  0.00           H  
HETATM   68  H   UNL     1       1.913  -0.456   1.652  1.00  0.00           H  
HETATM   69  H   UNL     1       3.212  -2.570   1.464  1.00  0.00           H  
HETATM   70  H   UNL     1       3.690  -3.478  -0.803  1.00  0.00           H  
HETATM   71  H   UNL     1       2.554  -2.299  -1.504  1.00  0.00           H  
HETATM   72  H   UNL     1       3.990  -0.199  -0.051  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.614   2.684   4.111  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.569   1.740   3.101  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.380   2.124   4.398  1.00  0.00           H  
HETATM   76  H   UNL     1       3.361   6.483  -1.928  1.00  0.00           H  
HETATM   77  C   UNL     1       8.107  -2.394  -0.234  1.00  0.00           C  
HETATM   78  C   UNL     1       8.797  -0.039   0.233  1.00  0.00           C  
HETATM   79  C   UNL     1       7.940  -1.480   2.085  1.00  0.00           C  
HETATM   80  H   UNL     1       8.012  -2.157  -1.293  1.00  0.00           H  
HETATM   81  H   UNL     1       9.122  -2.733  -0.027  1.00  0.00           H  
HETATM   82  H   UNL     1       7.400  -3.183   0.026  1.00  0.00           H  
HETATM   83  H   UNL     1       8.583   0.850   0.825  1.00  0.00           H  
HETATM   84  H   UNL     1       9.813  -0.378   0.440  1.00  0.00           H  
HETATM   85  H   UNL     1       8.702   0.199  -0.827  1.00  0.00           H  
HETATM   86  H   UNL     1       7.233  -2.268   2.345  1.00  0.00           H  
HETATM   87  H   UNL     1       8.955  -1.818   2.292  1.00  0.00           H  
HETATM   88  H   UNL     1       7.726  -0.590   2.678  1.00  0.00           H  
CONECT    1   26   27   27   35                                       
CONECT    2   34   36   44   45                                       
CONECT    3   36   20   40   40                                       
CONECT    4   19   20   46   47                                       
CONECT    5   19   19   29   48                                       
CONECT    6   12   12    7   49                                       
CONECT    7    6    8    8   50                                       
CONECT    8    7    7   31   13                                       
CONECT    9   11   11   13   51                                       
CONECT   10   11   16   16   52                                       
CONECT   11    9    9   10   53                                       
CONECT   12    6    6   15   54                                       
CONECT   13    9    8   14   14                                       
CONECT   14   13   13   16   55                                       
CONECT   15   12   31   31   43                                       
CONECT   16   10   10   14   30                                       
CONECT   17   29   37   38   38                                       
CONECT   18   28   28   19   56                                       
CONECT   19   18    4    5    5                                       
CONECT   20    4    3   25   57                                       
CONECT   21   32   36   58   59                                       
CONECT   22   28   29   29   60                                       
CONECT   23   26   77   78   79                                       
CONECT   24   30   61   62                                            
CONECT   25   20   43   63                                            
CONECT   26   23    1   64                                            
CONECT   27    1    1                                                 
CONECT   28   18   18   22   65                                       
CONECT   29   22   22    5   17                                       
CONECT   30   16   24   39   39                                       
CONECT   31   15   15    8   66                                       
CONECT   32   33   21   67   68                                       
CONECT   33   35   32   34   69                                       
CONECT   34   33    2   70   71                                       
CONECT   35    1   33   72                                            
CONECT   36   21    2    3                                            
CONECT   37   17   73   74                                            
CONECT   38   17   17   75                                            
CONECT   39   30   30   76                                            
CONECT   40    3    3                                                 
CONECT   41   43   43                                                 
CONECT   42   43   43                                                 
CONECT   43   25   15   42   42                                       
CONECT   43   41   41                                                 
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   18                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   28                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   23   80   81   82                                       
CONECT   78   23   83   84   85                                       
CONECT   79   23   86   87   88                                       
CONECT   80   77                                                      
CONECT   81   77                                                      
CONECT   82   77                                                      
CONECT   83   78                                                      
CONECT   84   78                                                      
CONECT   85   78                                                      
CONECT   86   79                                                      
CONECT   87   79                                                      
CONECT   88   79                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
