COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       5.915   2.436   0.414  1.00  0.00           S1+
HETATM    2  C   UNL     1       3.331  -2.593   1.051  1.00  0.00           C  
HETATM    3  C   UNL     1       5.013  -4.188   1.198  1.00  0.00           C  
HETATM    4  C   UNL     1       5.423  -3.054   2.163  1.00  0.00           C  
HETATM    5  C   UNL     1       5.129   1.139  -0.581  1.00  0.00           C  
HETATM    6  C   UNL     1       4.507  -1.898   1.700  1.00  0.00           C  
HETATM    7  C   UNL     1       5.233  -1.013   0.685  1.00  0.00           C  
HETATM    8  C   UNL     1       4.355   0.191   0.337  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.602  -0.031  -0.171  1.00  0.00           C  
HETATM   10  C   UNL     1       0.733  -0.076  -0.867  1.00  0.00           C  
HETATM   11  C   UNL     1       0.729   0.184  -2.374  1.00  0.00           C  
HETATM   12  C   UNL     1       1.874  -0.591  -3.029  1.00  0.00           C  
HETATM   13  C   UNL     1       1.614  -2.093  -2.899  1.00  0.00           C  
HETATM   14  C   UNL     1       1.964  -0.214  -4.510  1.00  0.00           C  
HETATM   15  C   UNL     1       2.010   0.456  -0.269  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.927  -0.116   0.357  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.030   0.786   0.914  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.453   0.226   0.945  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.603   1.203   0.691  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.925   0.434   0.640  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.085   1.422   0.510  1.00  0.00           C  
HETATM   22  C   UNL     1     -11.407   0.653   0.459  1.00  0.00           C  
HETATM   23  C   UNL     1     -11.402  -0.289  -0.747  1.00  0.00           C  
HETATM   24  C   UNL     1     -10.241  -1.277  -0.618  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.920  -0.508  -0.567  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.666   0.385   2.247  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.412   0.598  -0.251  1.00  0.00           N  
HETATM   28  N   UNL     1       3.144  -0.269  -0.346  1.00  0.00           N  
HETATM   29  N   UNL     1       3.638  -3.875   0.789  1.00  0.00           N  
HETATM   30  O   UNL     1      -1.701  -1.190  -0.524  1.00  0.00           O  
HETATM   31  O   UNL     1       2.263  -2.071   0.808  1.00  0.00           O  
HETATM   32  O   UNL     1       6.133   0.405  -1.285  1.00  0.00           O  
HETATM   33  O   UNL     1       2.018   1.536   0.282  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.680   0.624   0.299  1.00  0.00           O  
HETATM   35  H   UNL     1       5.670  -4.203   0.329  1.00  0.00           H  
HETATM   36  H   UNL     1       5.044  -5.149   1.711  1.00  0.00           H  
HETATM   37  H   UNL     1       5.214  -3.328   3.197  1.00  0.00           H  
HETATM   38  H   UNL     1       6.474  -2.795   2.035  1.00  0.00           H  
HETATM   39  H   UNL     1       4.443   1.594  -1.295  1.00  0.00           H  
HETATM   40  H   UNL     1       4.177  -1.305   2.554  1.00  0.00           H  
HETATM   41  H   UNL     1       6.174  -0.665   1.112  1.00  0.00           H  
HETATM   42  H   UNL     1       5.436  -1.588  -0.219  1.00  0.00           H  
HETATM   43  H   UNL     1       4.080   0.715   1.252  1.00  0.00           H  
HETATM   44  H   UNL     1       0.665  -1.149  -0.683  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.221  -0.145  -2.797  1.00  0.00           H  
HETATM   46  H   UNL     1       0.859   1.250  -2.559  1.00  0.00           H  
HETATM   47  H   UNL     1       2.812  -0.340  -2.533  1.00  0.00           H  
HETATM   48  H   UNL     1       0.709  -2.353  -3.449  1.00  0.00           H  
HETATM   49  H   UNL     1       2.460  -2.645  -3.309  1.00  0.00           H  
HETATM   50  H   UNL     1       1.487  -2.350  -1.848  1.00  0.00           H  
HETATM   51  H   UNL     1       1.026  -0.465  -5.005  1.00  0.00           H  
HETATM   52  H   UNL     1       2.149   0.856  -4.602  1.00  0.00           H  
HETATM   53  H   UNL     1       2.780  -0.766  -4.976  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.806  -0.984   1.006  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.200  -0.447  -0.645  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.912   1.851   0.714  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.604  -0.786   0.568  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.641   1.937   1.496  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.443   1.714  -0.259  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.042  -0.148   1.554  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.089   2.093   1.370  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.968   2.003  -0.404  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.525   0.071   1.373  1.00  0.00           H  
HETATM   64  H   UNL     1     -12.234   1.357   0.367  1.00  0.00           H  
HETATM   65  H   UNL     1     -12.344  -0.837  -0.784  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.284   0.292  -1.661  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.359  -1.859   0.296  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.238  -1.948  -1.477  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.802   0.074  -1.481  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.093  -1.212  -0.475  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.298  -0.522   2.727  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.967   1.186   2.923  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.315   1.497   0.099  1.00  0.00           H  
HETATM   74  H   UNL     1       3.157  -1.096  -0.853  1.00  0.00           H  
HETATM   75  H   UNL     1       3.030  -4.511   0.382  1.00  0.00           H  
HETATM   76  H   UNL     1       5.784  -0.307  -1.839  1.00  0.00           H  
HETATM   77  O   UNL     1       6.764   3.311  -0.317  1.00  0.00           O  
HETATM   78  O   UNL     1       4.820   3.267   1.068  1.00  0.00           O  
HETATM   79  O   UNL     1       6.740   1.770   1.505  1.00  0.00           O  
HETATM   80  H   UNL     1       5.151   3.988   1.621  1.00  0.00           H  
HETATM   81  H   UNL     1       6.239   1.151   2.055  1.00  0.00           H  
CONECT    1    5   77   77   78                                       
CONECT    1   79                                                      
CONECT    2    6   31   31   29                                       
CONECT    3    4   29   35   36                                       
CONECT    4    6    3   37   38                                       
CONECT    5   32    1    8   39                                       
CONECT    6    7    4    2   40                                       
CONECT    7    8    6   41   42                                       
CONECT    8   28    5    7   43                                       
CONECT    9   27   34   30   30                                       
CONECT   10   11   27   15   44                                       
CONECT   11   12   10   45   46                                       
CONECT   12   14   13   11   47                                       
CONECT   13   12   48   49   50                                       
CONECT   14   12   51   52   53                                       
CONECT   15   10   33   33   28                                       
CONECT   16   34   17   54   55                                       
CONECT   17   18   26   16   56                                       
CONECT   18   19   17   26   57                                       
CONECT   19   20   18   58   59                                       
CONECT   20   21   25   19   60                                       
CONECT   21   22   20   61   62                                       
CONECT   22   23   21   63   64                                       
CONECT   23   22   24   65   66                                       
CONECT   24   23   25   67   68                                       
CONECT   25   24   20   69   70                                       
CONECT   26   18   17   71   72                                       
CONECT   27   10    9   73                                            
CONECT   28   15    8   74                                            
CONECT   29    2    3   75                                            
CONECT   30    9    9                                                 
CONECT   31    2    2                                                 
CONECT   32    5   76                                                 
CONECT   33   15   15                                                 
CONECT   34    9   16                                                 
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   32                                                      
CONECT   77    1    1                                                 
CONECT   78    1   80                                                 
CONECT   79    1   81                                                 
CONECT   80   78                                                      
CONECT   81   79                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
