COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.874   0.570   0.248  1.00  0.00           C  
HETATM    2  C   UNL     1       6.299   1.241  -0.815  1.00  0.00           C  
HETATM    3  C   UNL     1       5.027   1.767  -0.694  1.00  0.00           C  
HETATM    4  C   UNL     1       2.942   2.196   0.622  1.00  0.00           C  
HETATM    5  C   UNL     1       0.048  -0.820  -0.515  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.513  -1.986  -2.130  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.424  -2.754   0.188  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.333  -0.464  -0.307  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.773   1.721   0.480  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.654   0.693   0.056  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.668   1.396  -0.479  1.00  0.00           C  
HETATM   12  O   UNL     1       0.277   2.612   0.527  1.00  0.00           O  
HETATM   13  C   UNL     1       0.642   1.488   0.238  1.00  0.00           C  
HETATM   14  N   UNL     1       1.957   1.195   0.204  1.00  0.00           N  
HETATM   15  C   UNL     1       4.329   1.622   0.490  1.00  0.00           C  
HETATM   16  C   UNL     1       4.903   0.950   1.553  1.00  0.00           C  
HETATM   17  C   UNL     1       6.176   0.425   1.432  1.00  0.00           C  
HETATM   18  S   UNL     1       8.493  -0.106   0.091  1.00  0.00           S  
HETATM   19  O   UNL     1       9.117   0.702  -0.897  1.00  0.00           O  
HETATM   20  O   UNL     1       8.987  -0.146   1.423  1.00  0.00           O  
HETATM   21  C   UNL     1       8.223  -1.786  -0.538  1.00  0.00           C  
HETATM   22  C   UNL     1       9.572  -2.486  -0.718  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.268   0.536  -0.048  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.310  -1.497  -0.692  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.749  -3.843  -0.686  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.167  -3.488  -2.129  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.396   1.809   0.459  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.383   0.526   0.103  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.651  -0.513  -0.273  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.861   0.415   0.123  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.491  -0.664   0.740  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.679  -1.747   1.403  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.919  -3.188   0.950  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.418  -2.724   2.320  1.00  0.00           C  
HETATM   35  N   UNL     1      -7.813  -0.724   0.736  1.00  0.00           N  
HETATM   36  C   UNL     1      -8.536   0.216   0.160  1.00  0.00           C  
HETATM   37  N   UNL     1      -7.986   1.258  -0.431  1.00  0.00           N  
HETATM   38  O   UNL     1      -6.108   2.467  -1.093  1.00  0.00           O  
HETATM   39  C   UNL     1      -7.000   3.420  -1.674  1.00  0.00           C  
HETATM   40  H   UNL     1       6.845   1.354  -1.741  1.00  0.00           H  
HETATM   41  H   UNL     1       4.578   2.292  -1.525  1.00  0.00           H  
HETATM   42  H   UNL     1       2.852   3.080  -0.010  1.00  0.00           H  
HETATM   43  H   UNL     1       2.760   2.473   1.661  1.00  0.00           H  
HETATM   44  H   UNL     1       0.579  -0.779  -1.466  1.00  0.00           H  
HETATM   45  H   UNL     1       0.642  -1.350   0.229  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.550  -1.840  -2.432  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.847  -1.449  -2.805  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.884  -2.620   1.125  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.469  -3.000   0.375  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.371   2.567   0.787  1.00  0.00           H  
HETATM   51  H   UNL     1       2.252   0.322  -0.097  1.00  0.00           H  
HETATM   52  H   UNL     1       4.357   0.837   2.478  1.00  0.00           H  
HETATM   53  H   UNL     1       6.623  -0.103   2.261  1.00  0.00           H  
HETATM   54  H   UNL     1       7.615  -2.347   0.172  1.00  0.00           H  
HETATM   55  H   UNL     1       7.709  -1.736  -1.497  1.00  0.00           H  
HETATM   56  H   UNL     1      10.180  -1.926  -1.428  1.00  0.00           H  
HETATM   57  H   UNL     1      10.087  -2.536   0.241  1.00  0.00           H  
HETATM   58  H   UNL     1       9.410  -3.496  -1.096  1.00  0.00           H  
HETATM   59  H   UNL     1       0.335  -3.798  -0.581  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.119  -4.832  -0.414  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.041  -4.072  -2.419  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.343  -3.682  -2.815  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.899   2.724   0.747  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.661  -1.469   1.679  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.665  -3.353   0.172  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.060  -3.859   0.928  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.887  -3.089   3.199  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.492  -2.583   2.444  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.612   0.132   0.177  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.609   2.932  -2.435  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.647   3.832  -0.900  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.424   4.225  -2.131  1.00  0.00           H  
CONECT    1    2    2   17   18                                       
CONECT    2    3    1    1   40                                       
CONECT    3   15   15    2   41                                       
CONECT    4   14   15   42   43                                       
CONECT    5   23   24   44   45                                       
CONECT    6   24   26   46   47                                       
CONECT    7   24   25   48   49                                       
CONECT    8   10   24   29   29                                       
CONECT    9   27   28   28   50                                       
CONECT   10   23   27   27    8                                       
CONECT   11   30   38   37   37                                       
CONECT   12   13   13                                                 
CONECT   13   14   12   12   23                                       
CONECT   14    4   13   51                                            
CONECT   15    4    3    3   16                                       
CONECT   16   15   17   17   52                                       
CONECT   17   16   16    1   53                                       
CONECT   18    1   20   20   21                                       
CONECT   18   19   19                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18   22   54   55                                       
CONECT   22   21   56   57   58                                       
CONECT   23   13    5   10                                            
CONECT   24    5    7    8    6                                       
CONECT   25    7   26   59   60                                       
CONECT   26   25    6   61   62                                       
CONECT   27   10   10    9   63                                       
CONECT   28    9    9   29   30                                       
CONECT   29    8    8   28                                            
CONECT   30   28   31   31   11                                       
CONECT   31   32   30   30   35                                       
CONECT   32   34   33   31   64                                       
CONECT   33   34   32   65   66                                       
CONECT   34   32   33   67   68                                       
CONECT   35   31   36   36                                            
CONECT   36   35   35   37   69                                       
CONECT   37   11   11   36                                            
CONECT   38   11   39                                                 
CONECT   39   38   70   71   72                                       
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    9                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   36                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
CONECT   72   39                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
