COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.698  -1.684   1.255  1.00  0.00           C  
HETATM    2  C   UNL     1       0.834  -2.028   2.471  1.00  0.00           C  
HETATM    3  C   UNL     1       1.334  -3.331   3.099  1.00  0.00           C  
HETATM    4  C   UNL     1       0.927  -0.898   3.498  1.00  0.00           C  
HETATM    5  C   UNL     1       2.040  -0.039  -0.569  1.00  0.00           C  
HETATM    6  C   UNL     1       4.209   0.702  -1.396  1.00  0.00           C  
HETATM    7  C   UNL     1       5.320   1.597  -0.845  1.00  0.00           C  
HETATM    8  C   UNL     1       1.123  -0.451   0.554  1.00  0.00           C  
HETATM    9  C   UNL     1       5.838   3.897   0.068  1.00  0.00           C  
HETATM   10  C   UNL     1       4.720   2.925  -0.378  1.00  0.00           C  
HETATM   11  N   UNL     1       4.570   3.127   1.953  1.00  0.00           N  
HETATM   12  C   UNL     1       5.901   3.628   1.588  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.816  -0.836  -1.827  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.308  -2.244  -1.611  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.785  -2.605  -0.185  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.924  -1.209   0.463  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.637  -0.837   1.201  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.291  -0.672   0.797  1.00  0.00           C  
HETATM   19  C   UNL     1       3.887   2.721   0.868  1.00  0.00           C  
HETATM   20  C   UNL     1       4.827  -0.544  -2.034  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.697   1.072  -0.500  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.223   1.027  -0.594  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.778   2.453  -0.562  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.305   2.408  -0.656  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.866   1.615   0.526  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.311   0.190   0.493  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.785   0.234   0.588  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.200  -0.770   0.012  1.00  0.00           N  
HETATM   29  N   UNL     1       3.317   0.301  -0.305  1.00  0.00           N  
HETATM   30  N   UNL     1      -5.159  -0.282  -0.651  1.00  0.00           N  
HETATM   31  O   UNL     1      -4.897  -0.284  -2.904  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.507  -0.965   0.299  1.00  0.00           O  
HETATM   33  O   UNL     1       2.766   2.258   0.886  1.00  0.00           O  
HETATM   34  O   UNL     1       5.784  -0.150  -3.019  1.00  0.00           O  
HETATM   35  O   UNL     1       1.629  -0.014  -1.709  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.177  -0.320   1.954  1.00  0.00           O  
HETATM   37  H   UNL     1       2.717  -1.475   1.581  1.00  0.00           H  
HETATM   38  H   UNL     1       1.703  -2.526   0.563  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.202  -2.150   2.157  1.00  0.00           H  
HETATM   40  H   UNL     1       2.371  -3.209   3.412  1.00  0.00           H  
HETATM   41  H   UNL     1       0.719  -3.576   3.965  1.00  0.00           H  
HETATM   42  H   UNL     1       1.268  -4.136   2.367  1.00  0.00           H  
HETATM   43  H   UNL     1       1.964  -0.776   3.812  1.00  0.00           H  
HETATM   44  H   UNL     1       0.571   0.030   3.051  1.00  0.00           H  
HETATM   45  H   UNL     1       0.312  -1.143   4.364  1.00  0.00           H  
HETATM   46  H   UNL     1       3.640   1.250  -2.148  1.00  0.00           H  
HETATM   47  H   UNL     1       5.803   1.101  -0.003  1.00  0.00           H  
HETATM   48  H   UNL     1       6.056   1.786  -1.626  1.00  0.00           H  
HETATM   49  H   UNL     1       1.036   0.366   1.270  1.00  0.00           H  
HETATM   50  H   UNL     1       6.785   3.648  -0.411  1.00  0.00           H  
HETATM   51  H   UNL     1       5.560   4.931  -0.134  1.00  0.00           H  
HETATM   52  H   UNL     1       4.120   3.373  -1.169  1.00  0.00           H  
HETATM   53  H   UNL     1       4.227   3.094   2.859  1.00  0.00           H  
HETATM   54  H   UNL     1       6.659   2.876   1.808  1.00  0.00           H  
HETATM   55  H   UNL     1       6.117   4.551   2.126  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.745  -2.924  -2.343  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.220  -2.270  -1.668  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.745  -3.120  -0.213  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.038  -3.204   0.336  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.771  -1.195   1.150  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.706   0.191   1.555  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.500  -1.506   2.052  1.00  0.00           H  
HETATM   63  H   UNL     1       4.043  -1.138  -2.505  1.00  0.00           H  
HETATM   64  S   UNL     1       5.648  -1.533  -0.754  1.00  0.00           S  
HETATM   65  H   UNL     1      -5.303   1.710  -1.291  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.405   1.473   0.470  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.516   0.545  -1.527  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.486   2.935   0.371  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.378   3.017  -1.404  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.700   3.424  -0.633  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.597   1.926  -1.589  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.573   2.098   1.459  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.953   1.584   0.459  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.711  -0.375   1.336  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.604  -0.293  -0.439  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.390  -0.781   0.565  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.492   0.717   1.520  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.291  -1.051  -0.912  1.00  0.00           H  
HETATM   79  H   UNL     1       3.646   0.282   0.607  1.00  0.00           H  
HETATM   80  H   UNL     1       5.414   0.383  -3.736  1.00  0.00           H  
HETATM   81  O   UNL     1       5.971  -2.824  -1.253  1.00  0.00           O  
HETATM   82  O   UNL     1       6.613  -0.752  -0.063  1.00  0.00           O  
HETATM   83  O   UNL     1       4.563  -1.791   0.281  1.00  0.00           O  
HETATM   84  H   UNL     1       4.858  -2.317   1.038  1.00  0.00           H  
CONECT    1    8    2   37   38                                       
CONECT    2    1    4    3   39                                       
CONECT    3    2   40   41   42                                       
CONECT    4    2   43   44   45                                       
CONECT    5   35   35    8   29                                       
CONECT    6   29    7   20   46                                       
CONECT    7   10    6   47   48                                       
CONECT    8   28    5    1   49                                       
CONECT    9   12   10   50   51                                       
CONECT   10    9   19    7   52                                       
CONECT   11   12   19   53                                            
CONECT   12    9   11   54   55                                       
CONECT   13   31   31   30   14                                       
CONECT   14   13   15   56   57                                       
CONECT   15   16   14   58   59                                       
CONECT   16   30   17   15   60                                       
CONECT   17   16   32   61   62                                       
CONECT   18   32   28   36   36                                       
CONECT   19   11   10   33   33                                       
CONECT   20    6   34   63   64                                       
CONECT   21   22   30   65   66                                       
CONECT   22   27   21   23   67                                       
CONECT   23   22   24   68   69                                       
CONECT   24   25   23   70   71                                       
CONECT   25   26   24   72   73                                       
CONECT   26   27   25   74   75                                       
CONECT   27   26   22   76   77                                       
CONECT   28   18    8   78                                            
CONECT   29    5    6   79                                            
CONECT   30   21   13   16                                            
CONECT   31   13   13                                                 
CONECT   32   17   18                                                 
CONECT   33   19   19                                                 
CONECT   34   20   80                                                 
CONECT   35    5    5                                                 
CONECT   36   18   18                                                 
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   20                                                      
CONECT   64   20   81   81   82                                       
CONECT   64   82   83                                                 
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   34                                                      
CONECT   81   64   64                                                 
CONECT   82   64   64                                                 
CONECT   83   64   84                                                 
CONECT   84   83                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
