COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.700   0.982  -1.544  1.00  0.00           C  
HETATM    2  N   UNL     1       9.046   0.873  -1.901  1.00  0.00           N  
HETATM    3  O   UNL     1       3.243   2.419   0.514  1.00  0.00           O  
HETATM    4  S   UNL     1       3.336   1.319  -0.381  1.00  0.00           S  
HETATM    5  C   UNL     1       6.716   0.463  -2.376  1.00  0.00           C  
HETATM    6  C   UNL     1       5.386   0.567  -2.018  1.00  0.00           C  
HETATM    7  C   UNL     1       5.034   1.187  -0.833  1.00  0.00           C  
HETATM    8  C   UNL     1       6.011   1.705  -0.003  1.00  0.00           C  
HETATM    9  C   UNL     1       7.343   1.603  -0.355  1.00  0.00           C  
HETATM   10  N   UNL     1       2.957  -0.032   0.499  1.00  0.00           N  
HETATM   11  O   UNL     1       2.591   1.233  -1.588  1.00  0.00           O  
HETATM   12  C   UNL     1       3.205  -0.060   1.943  1.00  0.00           C  
HETATM   13  C   UNL     1       2.026  -0.732   2.650  1.00  0.00           C  
HETATM   14  C   UNL     1       2.375  -1.200  -0.166  1.00  0.00           C  
HETATM   15  C   UNL     1       3.474  -2.227  -0.450  1.00  0.00           C  
HETATM   16  C   UNL     1       2.839  -3.535  -0.925  1.00  0.00           C  
HETATM   17  C   UNL     1       3.940  -4.519  -1.327  1.00  0.00           C  
HETATM   18  C   UNL     1       2.005  -4.138   0.206  1.00  0.00           C  
HETATM   19  C   UNL     1       0.771   0.126   2.478  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.382  -0.493   3.270  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.575   0.465   3.267  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.068   0.626   1.898  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.539  -0.440   1.221  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.030  -0.278  -0.194  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.284  -1.598  -0.777  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.189  -2.421  -0.211  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.424  -3.634  -0.747  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.411  -4.467  -0.085  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.794  -2.069   0.782  1.00  0.00           O  
HETATM   30  C   UNL     1       4.467  -0.835   2.222  1.00  0.00           C  
HETATM   31  O   UNL     1       5.167  -1.198   1.307  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.569  -1.531   1.752  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.031   1.944   0.262  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.895   0.572  -1.590  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.165   0.083  -1.829  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.691   0.120  -3.107  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.946   0.646  -4.146  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.676   1.135  -3.907  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.150   1.098  -2.629  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.835   2.542   1.214  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.563   3.829   1.638  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.488   4.518   1.110  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.684   3.920   0.158  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.955   2.633  -0.266  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.689  -0.105   4.147  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.324   0.538  -0.196  1.00  0.00           C  
HETATM   47  H   UNL     1       9.733   1.232  -1.317  1.00  0.00           H  
HETATM   48  H   UNL     1       9.294   0.438  -2.732  1.00  0.00           H  
HETATM   49  H   UNL     1       6.990  -0.021  -3.302  1.00  0.00           H  
HETATM   50  H   UNL     1       4.620   0.164  -2.664  1.00  0.00           H  
HETATM   51  H   UNL     1       5.733   2.189   0.921  1.00  0.00           H  
HETATM   52  H   UNL     1       8.106   2.003   0.296  1.00  0.00           H  
HETATM   53  H   UNL     1       3.316   0.960   2.312  1.00  0.00           H  
HETATM   54  H   UNL     1       1.856  -1.717   2.214  1.00  0.00           H  
HETATM   55  H   UNL     1       2.252  -0.838   3.711  1.00  0.00           H  
HETATM   56  H   UNL     1       1.619  -1.647   0.479  1.00  0.00           H  
HETATM   57  H   UNL     1       1.915  -0.892  -1.105  1.00  0.00           H  
HETATM   58  H   UNL     1       4.138  -1.843  -1.224  1.00  0.00           H  
HETATM   59  H   UNL     1       4.044  -2.409   0.461  1.00  0.00           H  
HETATM   60  H   UNL     1       2.198  -3.337  -1.784  1.00  0.00           H  
HETATM   61  H   UNL     1       4.581  -4.717  -0.469  1.00  0.00           H  
HETATM   62  H   UNL     1       3.488  -5.451  -1.666  1.00  0.00           H  
HETATM   63  H   UNL     1       4.534  -4.089  -2.134  1.00  0.00           H  
HETATM   64  H   UNL     1       1.553  -5.070  -0.132  1.00  0.00           H  
HETATM   65  H   UNL     1       2.646  -4.336   1.065  1.00  0.00           H  
HETATM   66  H   UNL     1       1.221  -3.437   0.493  1.00  0.00           H  
HETATM   67  H   UNL     1       0.967   1.133   2.847  1.00  0.00           H  
HETATM   68  H   UNL     1       0.504   0.171   1.423  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.673  -1.437   2.810  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.062  -0.672   4.297  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.263   1.434   3.658  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.056   1.500   1.477  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.273   0.239  -0.784  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.802  -1.880  -1.570  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.503  -5.415  -0.617  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.098  -4.656   0.942  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.375  -3.957  -0.083  1.00  0.00           H  
HETATM   78  H   UNL     1       4.745  -1.065   3.239  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.747  -0.328  -1.017  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.684  -0.262  -3.293  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.357   0.674  -5.144  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.094   1.545  -4.719  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.157   1.480  -2.443  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.675   2.004   1.627  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.191   4.297   2.382  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.276   5.524   1.441  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.844   4.459  -0.255  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.328   2.166  -1.011  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.322  -0.225   5.167  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.539   0.577   4.145  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.000  -1.074   3.757  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.044   0.078   0.481  1.00  0.00           H  
CONECT    1    5    5    9    2                                       
CONECT    2    1   47   48                                            
CONECT    3    4    4                                                 
CONECT    4    3    3   11   11                                       
CONECT    4   10    7                                                 
CONECT    5    1    1    6   49                                       
CONECT    6    5    7    7   50                                       
CONECT    7    4    6    6    8                                       
CONECT    8    7    9    9   51                                       
CONECT    9    1    8    8   52                                       
CONECT   10    4   14   12                                            
CONECT   11    4    4                                                 
CONECT   12   10   13   30   53                                       
CONECT   13   12   19   54   55                                       
CONECT   14   10   15   56   57                                       
CONECT   15   14   16   58   59                                       
CONECT   16   15   17   18   60                                       
CONECT   17   16   61   62   63                                       
CONECT   18   16   64   65   66                                       
CONECT   19   13   20   67   68                                       
CONECT   20   19   21   69   70                                       
CONECT   21   20   45   22   71                                       
CONECT   22   21   23   72                                            
CONECT   23   22   24   32   32                                       
CONECT   24   23   25   46   73                                       
CONECT   25   24   26   74                                            
CONECT   26   25   29   29   27                                       
CONECT   27   26   28                                                 
CONECT   28   27   75   76   77                                       
CONECT   29   26   26                                                 
CONECT   30   12   31   31   78                                       
CONECT   31   30   30                                                 
CONECT   32   23   23                                                 
CONECT   33   46   44   44   40                                       
CONECT   34   46   39   39   35                                       
CONECT   35   34   36   36   79                                       
CONECT   36   35   35   37   80                                       
CONECT   37   36   38   38   81                                       
CONECT   38   37   37   39   82                                       
CONECT   39   34   34   38   83                                       
CONECT   40   33   41   41   84                                       
CONECT   41   40   40   42   85                                       
CONECT   42   41   43   43   86                                       
CONECT   43   42   42   44   87                                       
CONECT   44   33   33   43   88                                       
CONECT   45   21   89   90   91                                       
CONECT   46   24   33   34   92                                       
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   30                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
CONECT   89   45                                                      
CONECT   90   45                                                      
CONECT   91   45                                                      
CONECT   92   46                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
