COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.508  -0.910  -0.041  1.00  0.00           C  
HETATM    2  N   UNL     1      -7.841  -0.727  -0.694  1.00  0.00           N  
HETATM    3  O   UNL     1      -5.903  -1.426   0.983  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.485  -0.235  -0.969  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.437   1.255  -0.750  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.350   3.989  -0.350  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.674   3.425  -1.415  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.073   3.187   0.513  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.718   2.058  -1.616  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.117   1.820   0.312  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.196  -0.936  -0.347  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.246  -1.588   0.558  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.196  -3.086   0.254  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.596  -3.304  -1.137  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.329  -3.791   1.299  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.613  -3.662   0.294  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.876  -0.990   0.364  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.669  -0.238  -0.565  1.00  0.00           O  
HETATM   19  C   UNL     1       2.884  -1.230   1.317  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.881  -1.291   1.222  1.00  0.00           N  
HETATM   21  O   UNL     1       3.533  -0.606   2.130  1.00  0.00           O  
HETATM   22  C   UNL     1       1.492  -1.692   1.660  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.336   1.568   0.835  1.00  0.00           C  
HETATM   24  C   UNL     1       0.584   0.634   1.579  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.023   3.280  -0.530  1.00  0.00           C  
HETATM   26  C   UNL     1       0.469  -0.773   0.989  1.00  0.00           C  
HETATM   27  O   UNL     1       1.311  -1.652   3.076  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.637   1.744   1.265  1.00  0.00           C  
HETATM   29  C   UNL     1       0.124   2.252  -0.274  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.481   2.600   0.582  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.719   3.109  -0.957  1.00  0.00           C  
HETATM   32  C   UNL     1       4.966   0.318  -0.086  1.00  0.00           C  
HETATM   33  N   UNL     1       3.409  -1.509   0.107  1.00  0.00           N  
HETATM   34  O   UNL     1       4.000   1.050  -0.047  1.00  0.00           O  
HETATM   35  C   UNL     1       4.778  -1.169  -0.247  1.00  0.00           C  
HETATM   36  C   UNL     1       5.148  -1.563  -1.695  1.00  0.00           C  
HETATM   37  C   UNL     1       2.637  -2.187  -0.953  1.00  0.00           C  
HETATM   38  C   UNL     1       6.030  -0.496  -2.346  1.00  0.00           C  
HETATM   39  C   UNL     1       5.826  -2.933  -1.736  1.00  0.00           C  
HETATM   40  S   UNL     1       3.486  -1.623  -2.488  1.00  0.00           S  
HETATM   41  C   UNL     1       8.078   4.115   0.298  1.00  0.00           C  
HETATM   42  C   UNL     1       7.882   2.598   0.260  1.00  0.00           C  
HETATM   43  C   UNL     1       8.461   1.977   1.533  1.00  0.00           C  
HETATM   44  C   UNL     1       6.389   2.279   0.170  1.00  0.00           C  
HETATM   45  N   UNL     1       6.207   0.834   0.014  1.00  0.00           N  
HETATM   46  H   UNL     1      -8.111  -0.531   0.258  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.506  -0.338  -1.346  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.219  -0.460  -2.002  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.312   5.057  -0.191  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.108   4.052  -2.089  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.601   3.628   1.345  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.189   1.617  -2.448  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.683   1.194   0.985  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.880  -0.524  -1.166  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.565  -1.437   1.590  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.587  -2.894  -1.166  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.561  -4.372  -1.354  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.214  -2.802  -1.882  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.767  -3.651   2.288  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.279  -4.856   1.071  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.325  -3.368   1.283  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.231  -3.160  -0.451  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.578  -4.729   0.077  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.040  -3.507   1.285  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.059  -1.852   1.993  1.00  0.00           H  
HETATM   66  H   UNL     1       1.350  -2.713   1.304  1.00  0.00           H  
HETATM   67  H   UNL     1       1.612   0.985   1.485  1.00  0.00           H  
HETATM   68  H   UNL     1       0.303   0.610   2.632  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.682   3.949  -1.064  1.00  0.00           H  
HETATM   70  H   UNL     1       0.664  -0.734  -0.083  1.00  0.00           H  
HETATM   71  H   UNL     1       1.422  -0.772   3.462  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.995   1.213   2.135  1.00  0.00           H  
HETATM   73  H   UNL     1       1.143   2.118  -0.608  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.500   2.734   0.916  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.361   3.641  -1.826  1.00  0.00           H  
HETATM   76  H   UNL     1       5.455  -1.682   0.437  1.00  0.00           H  
HETATM   77  H   UNL     1       2.704  -3.270  -0.847  1.00  0.00           H  
HETATM   78  H   UNL     1       1.597  -1.862  -0.941  1.00  0.00           H  
HETATM   79  H   UNL     1       6.949  -0.383  -1.770  1.00  0.00           H  
HETATM   80  H   UNL     1       6.275  -0.799  -3.364  1.00  0.00           H  
HETATM   81  H   UNL     1       5.496   0.454  -2.368  1.00  0.00           H  
HETATM   82  H   UNL     1       5.150  -3.686  -1.331  1.00  0.00           H  
HETATM   83  H   UNL     1       6.075  -3.185  -2.767  1.00  0.00           H  
HETATM   84  H   UNL     1       6.738  -2.905  -1.138  1.00  0.00           H  
HETATM   85  H   UNL     1       9.142   4.342   0.361  1.00  0.00           H  
HETATM   86  H   UNL     1       7.666   4.557  -0.609  1.00  0.00           H  
HETATM   87  H   UNL     1       7.566   4.526   1.168  1.00  0.00           H  
HETATM   88  H   UNL     1       8.394   2.187  -0.610  1.00  0.00           H  
HETATM   89  H   UNL     1       7.949   2.388   2.403  1.00  0.00           H  
HETATM   90  H   UNL     1       8.321   0.897   1.506  1.00  0.00           H  
HETATM   91  H   UNL     1       9.525   2.205   1.597  1.00  0.00           H  
HETATM   92  H   UNL     1       5.891   2.612   1.081  1.00  0.00           H  
HETATM   93  H   UNL     1       5.958   2.794  -0.688  1.00  0.00           H  
HETATM   94  H   UNL     1       6.979   0.248  -0.017  1.00  0.00           H  
CONECT    1    3    3    4   11                                       
CONECT    2   46   47    4                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   48                                       
CONECT    5    4    9   10   10                                       
CONECT    6    7   49    8    8                                       
CONECT    7    6   50    9    9                                       
CONECT    8    6    6   51   10                                       
CONECT    9    5    7    7   52                                       
CONECT   10    5    5    8   53                                       
CONECT   11   12   54    1                                            
CONECT   12   11   13   17   55                                       
CONECT   13   12   14   15   16                                       
CONECT   14   13   56   57   58                                       
CONECT   15   13   59   60   61                                       
CONECT   16   13   62   63   64                                       
CONECT   17   12   18   18   20                                       
CONECT   18   17   17                                                 
CONECT   19   22   21   21   33                                       
CONECT   20   26   65   17                                            
CONECT   21   19   19                                                 
CONECT   22   19   27   66   26                                       
CONECT   23   24   28   28   29                                       
CONECT   24   23   67   68   26                                       
CONECT   25   30   30   31   69                                       
CONECT   26   20   22   24   70                                       
CONECT   27   22   71                                                 
CONECT   28   23   23   72   30                                       
CONECT   29   23   73   31   31                                       
CONECT   30   25   25   28   74                                       
CONECT   31   25   29   29   75                                       
CONECT   32   35   34   34   45                                       
CONECT   33   35   37   19                                            
CONECT   34   32   32                                                 
CONECT   35   32   33   76   36                                       
CONECT   36   35   39   38   40                                       
CONECT   37   33   77   78   40                                       
CONECT   38   36   79   80   81                                       
CONECT   39   36   82   83   84                                       
CONECT   40   36   37                                                 
CONECT   41   42   85   86   87                                       
CONECT   42   41   43   44   88                                       
CONECT   43   42   89   90   91                                       
CONECT   44   42   45   92   93                                       
CONECT   45   44   94   32                                            
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   20                                                      
CONECT   66   22                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   35                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   41                                                      
CONECT   86   41                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
