COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.898  -0.554   0.179  1.00  0.00           C  
HETATM    2  C   UNL     1       5.712   0.912   0.473  1.00  0.00           C  
HETATM    3  C   UNL     1       4.557  -3.292  -1.600  1.00  0.00           C  
HETATM    4  C   UNL     1       3.744  -3.644  -0.353  1.00  0.00           C  
HETATM    5  C   UNL     1       5.003  -2.784  -0.228  1.00  0.00           C  
HETATM    6  N   UNL     1       7.307  -3.510  -0.287  1.00  0.00           N  
HETATM    7  C   UNL     1       6.223  -3.421   0.387  1.00  0.00           C  
HETATM    8  N   UNL     1       4.823  -1.359   0.058  1.00  0.00           N  
HETATM    9  O   UNL     1       7.014  -1.010   0.047  1.00  0.00           O  
HETATM   10  C   UNL     1       5.353   1.650  -0.819  1.00  0.00           C  
HETATM   11  C   UNL     1       5.048   3.092  -0.506  1.00  0.00           C  
HETATM   12  S   UNL     1       3.460   3.726  -0.095  1.00  0.00           S  
HETATM   13  C   UNL     1       4.117   5.348   0.070  1.00  0.00           C  
HETATM   14  C   UNL     1       5.427   5.328  -0.179  1.00  0.00           C  
HETATM   15  C   UNL     1       5.942   4.082  -0.493  1.00  0.00           C  
HETATM   16  N   UNL     1       6.958   1.463   1.021  1.00  0.00           N  
HETATM   17  C   UNL     1       2.413  -2.960  -0.174  1.00  0.00           C  
HETATM   18  C   UNL     1       2.048  -1.930  -1.022  1.00  0.00           C  
HETATM   19  C   UNL     1       0.831  -1.300  -0.862  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.031  -1.704   0.156  1.00  0.00           C  
HETATM   21  C   UNL     1       0.342  -2.742   1.007  1.00  0.00           C  
HETATM   22  C   UNL     1       1.559  -3.369   0.834  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.342  -1.030   0.333  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.717   0.005  -0.522  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.937   0.628  -0.353  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.786   0.227   0.663  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.418  -0.799   1.514  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.204  -1.433   1.350  1.00  0.00           C  
HETATM   29  S   UNL     1      -5.342   1.027   0.873  1.00  0.00           S  
HETATM   30  O   UNL     1      -5.716   0.827   2.229  1.00  0.00           O  
HETATM   31  O   UNL     1      -5.214   2.314   0.284  1.00  0.00           O  
HETATM   32  N   UNL     1      -6.446   0.201  -0.044  1.00  0.00           N  
HETATM   33  C   UNL     1      -6.691   0.572  -1.446  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.201   0.738  -1.649  1.00  0.00           C  
HETATM   35  N   UNL     1      -8.889  -0.480  -1.199  1.00  0.00           N  
HETATM   36  C   UNL     1     -10.318  -0.431  -1.534  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.692  -0.702   0.240  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.203  -0.927   0.520  1.00  0.00           C  
HETATM   39  H   UNL     1       4.908   1.038   1.198  1.00  0.00           H  
HETATM   40  H   UNL     1       5.146  -4.086  -2.059  1.00  0.00           H  
HETATM   41  H   UNL     1       4.130  -2.565  -2.291  1.00  0.00           H  
HETATM   42  H   UNL     1       3.798  -4.671   0.009  1.00  0.00           H  
HETATM   43  H   UNL     1       7.344  -3.167  -1.193  1.00  0.00           H  
HETATM   44  H   UNL     1       6.182  -3.803   1.396  1.00  0.00           H  
HETATM   45  H   UNL     1       3.930  -0.993   0.160  1.00  0.00           H  
HETATM   46  H   UNL     1       6.193   1.598  -1.512  1.00  0.00           H  
HETATM   47  H   UNL     1       4.479   1.183  -1.273  1.00  0.00           H  
HETATM   48  H   UNL     1       3.547   6.227   0.333  1.00  0.00           H  
HETATM   49  H   UNL     1       6.041   6.216  -0.137  1.00  0.00           H  
HETATM   50  H   UNL     1       6.987   3.923  -0.712  1.00  0.00           H  
HETATM   51  H   UNL     1       7.182   1.037   1.908  1.00  0.00           H  
HETATM   52  H   UNL     1       7.719   1.358   0.367  1.00  0.00           H  
HETATM   53  H   UNL     1       2.717  -1.618  -1.810  1.00  0.00           H  
HETATM   54  H   UNL     1       0.547  -0.496  -1.524  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.323  -3.059   1.797  1.00  0.00           H  
HETATM   56  H   UNL     1       1.847  -4.177   1.490  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.054   0.319  -1.314  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.228   1.430  -1.014  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.085  -1.108   2.305  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.919  -2.238   2.013  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.186   1.511  -1.670  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.314  -0.212  -2.103  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.554   1.590  -1.069  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.410   0.904  -2.706  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.436  -0.342  -2.614  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.803  -1.344  -1.190  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.776   0.430  -1.047  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.039   0.171   0.793  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.258  -1.580   0.553  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.882  -1.856   0.048  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.032  -0.981   1.595  1.00  0.00           H  
CONECT    1    9    9    8    2                                       
CONECT    2    1   16   10   39                                       
CONECT    3    4    5   40   41                                       
CONECT    4   17    3    5   42                                       
CONECT    5    4    7    3    8                                       
CONECT    6    7    7   43                                            
CONECT    7    6    6    5   44                                       
CONECT    8    5    1   45                                            
CONECT    9    1    1                                                 
CONECT   10    2   11   46   47                                       
CONECT   11   10   15   15   12                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   14   48                                       
CONECT   14   15   13   13   49                                       
CONECT   15   11   11   14   50                                       
CONECT   16    2   51   52                                            
CONECT   17   18    4   22   22                                       
CONECT   18   19   19   17   53                                       
CONECT   19   18   18   20   54                                       
CONECT   20   19   23   21   21                                       
CONECT   21   20   20   22   55                                       
CONECT   22   17   17   21   56                                       
CONECT   23   24   20   28   28                                       
CONECT   24   25   25   23   57                                       
CONECT   25   24   24   26   58                                       
CONECT   26   25   29   27   27                                       
CONECT   27   26   26   28   59                                       
CONECT   28   23   23   27   60                                       
CONECT   29   30   30   32   26                                       
CONECT   29   31   31                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   33   38   29                                            
CONECT   33   34   32   61   62                                       
CONECT   34   33   35   63   64                                       
CONECT   35   34   36   37                                            
CONECT   36   35   65   66   67                                       
CONECT   37   35   38   68   69                                       
CONECT   38   32   37   70   71                                       
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
CONECT   71   38                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
