COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.013   0.123  -1.613  1.00  0.00           C  
HETATM    2  N   UNL     1       1.101  -1.283  -1.211  1.00  0.00           N  
HETATM    3  C   UNL     1       3.830   2.347  -1.144  1.00  0.00           C  
HETATM    4  C   UNL     1       4.411   1.178  -0.761  1.00  0.00           C  
HETATM    5  C   UNL     1       9.743   0.418   0.998  1.00  0.00           C  
HETATM    6  C   UNL     1      10.148   2.764   0.711  1.00  0.00           C  
HETATM    7  C   UNL     1       8.873   2.977   0.284  1.00  0.00           C  
HETATM    8  C   UNL     1       1.368  -1.602   0.071  1.00  0.00           C  
HETATM    9  C   UNL     1       1.456  -3.010   0.473  1.00  0.00           C  
HETATM   10  C   UNL     1       1.717  -3.471   1.722  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.671   0.820   0.388  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.354   2.460   2.001  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.035   2.849   2.176  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.028   2.234   1.465  1.00  0.00           C  
HETATM   15  O   UNL     1      -6.532  -0.340  -0.984  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.261   0.549  -0.200  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.334   1.212   0.563  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.674   1.453   1.114  1.00  0.00           C  
HETATM   19  S   UNL     1      -9.077  -0.462  -0.751  1.00  0.00           S  
HETATM   20  C   UNL     1     -10.881  -0.582  -0.605  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.979   0.929  -0.029  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.913   0.270  -0.787  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.564   0.884  -0.408  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.450   0.197  -1.200  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.101   0.811  -0.821  1.00  0.00           C  
HETATM   26  O   UNL     1       1.536  -0.723   0.895  1.00  0.00           O  
HETATM   27  S   UNL     1       1.235  -4.407  -0.579  1.00  0.00           S  
HETATM   28  C   UNL     1       1.518  -5.457   0.741  1.00  0.00           C  
HETATM   29  N   UNL     1       1.741  -4.776   1.819  1.00  0.00           N  
HETATM   30  C   UNL     1       2.326   0.808  -1.333  1.00  0.00           C  
HETATM   31  N   UNL     1       3.447   0.203  -0.884  1.00  0.00           N  
HETATM   32  N   UNL     1       2.563   2.084  -1.484  1.00  0.00           N  
HETATM   33  C   UNL     1       5.805   0.991  -0.303  1.00  0.00           C  
HETATM   34  C   UNL     1       6.254  -0.291   0.058  1.00  0.00           C  
HETATM   35  C   UNL     1       7.529  -0.488   0.481  1.00  0.00           C  
HETATM   36  C   UNL     1       8.419   0.597   0.562  1.00  0.00           C  
HETATM   37  C   UNL     1      10.582   1.488   1.066  1.00  0.00           C  
HETATM   38  C   UNL     1       7.978   1.896   0.201  1.00  0.00           C  
HETATM   39  C   UNL     1       6.657   2.080  -0.234  1.00  0.00           C  
HETATM   40  H   UNL     1       0.792   0.183  -2.678  1.00  0.00           H  
HETATM   41  H   UNL     1       0.967  -1.985  -1.868  1.00  0.00           H  
HETATM   42  H   UNL     1       4.305   3.317  -1.165  1.00  0.00           H  
HETATM   43  H   UNL     1      10.092  -0.564   1.281  1.00  0.00           H  
HETATM   44  H   UNL     1      10.834   3.596   0.774  1.00  0.00           H  
HETATM   45  H   UNL     1       8.551   3.971   0.012  1.00  0.00           H  
HETATM   46  H   UNL     1       1.890  -2.817   2.564  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.136   2.948   2.562  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.796   3.638   2.872  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.002   2.541   1.606  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.704   1.156   0.984  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.331   0.374  -0.872  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.249  -1.357  -1.276  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.147  -0.834   0.422  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.763   1.638   0.597  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.905  -0.795  -0.553  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.088   0.407  -1.854  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.571   1.949  -0.641  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.389   0.747   0.659  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.442  -0.868  -0.967  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.625   0.334  -2.267  1.00  0.00           H  
HETATM   61  H   UNL     1       0.074   0.674   0.246  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.108   1.875  -1.054  1.00  0.00           H  
HETATM   63  H   UNL     1       1.507  -6.535   0.683  1.00  0.00           H  
HETATM   64  H   UNL     1       3.553  -0.741  -0.686  1.00  0.00           H  
HETATM   65  H   UNL     1       5.576  -1.130  -0.001  1.00  0.00           H  
HETATM   66  H   UNL     1       7.859  -1.479   0.756  1.00  0.00           H  
HETATM   67  H   UNL     1      11.599   1.346   1.401  1.00  0.00           H  
HETATM   68  H   UNL     1       6.308   3.063  -0.513  1.00  0.00           H  
CONECT    1   30   25    2   40                                       
CONECT    2    1    8   41                                            
CONECT    3    4    4   32   42                                       
CONECT    4   33    3    3   31                                       
CONECT    5   37   37   36   43                                       
CONECT    6   37    7    7   44                                       
CONECT    7    6    6   38   45                                       
CONECT    8    2   26   26    9                                       
CONECT    9    8   10   10   27                                       
CONECT   10    9    9   29   46                                       
CONECT   11   18   19   17   17                                       
CONECT   12   18   18   13   47                                       
CONECT   13   12   14   14   48                                       
CONECT   14   13   13   17   49                                       
CONECT   15   16   16                                                 
CONECT   16   17   15   15   21                                       
CONECT   17   11   11   14   16                                       
CONECT   18   12   12   11   50                                       
CONECT   19   11   20                                                 
CONECT   20   19   51   52   53                                       
CONECT   21   16   22   54                                            
CONECT   22   21   23   55   56                                       
CONECT   23   22   24   57   58                                       
CONECT   24   23   25   59   60                                       
CONECT   25   24    1   61   62                                       
CONECT   26    8    8                                                 
CONECT   27    9   28                                                 
CONECT   28   29   29   27   63                                       
CONECT   29   10   28   28                                            
CONECT   30   32   32   31    1                                       
CONECT   31    4   30   64                                            
CONECT   32    3   30   30                                            
CONECT   33   34   34   39    4                                       
CONECT   34   35   33   33   65                                       
CONECT   35   36   36   34   66                                       
CONECT   36    5   35   35   38                                       
CONECT   37    5    5    6   67                                       
CONECT   38   36    7   39   39                                       
CONECT   39   38   38   33   68                                       
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46   10                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   18                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   28                                                      
CONECT   64   31                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   37                                                      
CONECT   68   39                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
