COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.174  -1.545   1.457  1.00  0.00           C  
HETATM    2  O   UNL     1       6.224  -0.186   1.017  1.00  0.00           O  
HETATM    3  C   UNL     1       5.171   0.265   0.285  1.00  0.00           C  
HETATM    4  C   UNL     1       4.111  -0.575   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.033  -0.120  -0.747  1.00  0.00           C  
HETATM    6  C   UNL     1       2.999   1.163  -1.214  1.00  0.00           C  
HETATM    7  C   UNL     1       4.058   2.032  -0.939  1.00  0.00           C  
HETATM    8  N   UNL     1       4.333   3.318  -1.238  1.00  0.00           N  
HETATM    9  N   UNL     1       5.470   3.638  -0.729  1.00  0.00           N  
HETATM   10  N   UNL     1       6.003   2.652  -0.094  1.00  0.00           N  
HETATM   11  C   UNL     1       7.292   2.674   0.603  1.00  0.00           C  
HETATM   12  C   UNL     1       5.150   1.579  -0.178  1.00  0.00           C  
HETATM   13  C   UNL     1       1.888  -1.052  -1.046  1.00  0.00           C  
HETATM   14  C   UNL     1       2.429  -2.343  -1.665  1.00  0.00           C  
HETATM   15  C   UNL     1       1.278  -3.224  -2.077  1.00  0.00           C  
HETATM   16  O   UNL     1       0.141  -2.857  -1.895  1.00  0.00           O  
HETATM   17  O   UNL     1       1.515  -4.416  -2.647  1.00  0.00           O  
HETATM   18  C   UNL     1       1.156  -1.376   0.231  1.00  0.00           C  
HETATM   19  C   UNL     1       1.772  -2.140   1.206  1.00  0.00           C  
HETATM   20  C   UNL     1       1.101  -2.437   2.377  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.185  -1.970   2.575  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.916  -2.294   3.852  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.800  -1.206   1.601  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.202  -0.696   1.816  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.576   0.188   0.710  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.192   1.597   0.726  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.384   2.540   0.758  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.880   3.977   0.909  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.162   2.440  -0.439  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.240   1.612  -0.378  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.522   2.145  -0.322  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.611   1.303  -0.205  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.438  -0.067  -0.139  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.162  -0.606  -0.215  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.087   0.235  -0.357  1.00  0.00           C  
HETATM   36  S   UNL     1      -3.439  -0.402  -0.589  1.00  0.00           S  
HETATM   37  O   UNL     1      -2.915   0.227  -1.750  1.00  0.00           O  
HETATM   38  O   UNL     1      -3.514  -1.812  -0.425  1.00  0.00           O  
HETATM   39  C   UNL     1      -0.128  -0.905   0.431  1.00  0.00           C  
HETATM   40  H   UNL     1       1.202  -0.573  -1.746  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.012   2.292   1.614  1.00  0.00           H  
HETATM   42  H   UNL     1       5.296  -1.691   2.086  1.00  0.00           H  
HETATM   43  H   UNL     1       6.114  -2.205   0.592  1.00  0.00           H  
HETATM   44  H   UNL     1       7.073  -1.775   2.029  1.00  0.00           H  
HETATM   45  H   UNL     1       4.122  -1.593   0.361  1.00  0.00           H  
HETATM   46  H   UNL     1       2.155   1.505  -1.794  1.00  0.00           H  
HETATM   47  H   UNL     1       7.140   2.981   1.638  1.00  0.00           H  
HETATM   48  H   UNL     1       7.734   1.678   0.580  1.00  0.00           H  
HETATM   49  H   UNL     1       7.960   3.379   0.109  1.00  0.00           H  
HETATM   50  H   UNL     1       3.032  -2.101  -2.540  1.00  0.00           H  
HETATM   51  H   UNL     1       3.043  -2.867  -0.933  1.00  0.00           H  
HETATM   52  H   UNL     1       2.777  -2.504   1.051  1.00  0.00           H  
HETATM   53  H   UNL     1       1.582  -3.034   3.138  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.793  -1.474   4.559  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.976  -2.433   3.638  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.510  -3.210   4.281  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.892  -1.539   1.858  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.247  -0.143   2.755  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.577   1.782   1.606  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.601   1.809  -0.165  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.237   4.227   0.065  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.730   4.660   0.933  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.314   4.069   1.836  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.667   3.214  -0.370  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.607   1.719  -0.165  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.294  -0.716  -0.028  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.016  -1.674  -0.162  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.607  -0.305  -0.329  1.00  0.00           H  
HETATM   69  H   UNL     1       0.745  -4.945  -2.894  1.00  0.00           H  
CONECT    1   44   43    2   42                                       
CONECT    2    1    3                                                 
CONECT    3    2   12   12    4                                       
CONECT    4    3   45    5    5                                       
CONECT    5    4    4    6   13                                       
CONECT    6    5    7    7   46                                       
CONECT    7    6    6   12    8                                       
CONECT    8    7    9    9                                            
CONECT    9    8    8   10                                            
CONECT   10    9   11   12                                            
CONECT   11   10   48   49   47                                       
CONECT   12    3    3    7   10                                       
CONECT   13    5   14   40   18                                       
CONECT   14   13   15   50   51                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   69                                                 
CONECT   18   13   39   39   19                                       
CONECT   19   18   52   20   20                                       
CONECT   20   19   19   21   53                                       
CONECT   21   20   23   23   22                                       
CONECT   22   21   54   55   56                                       
CONECT   23   21   21   39   24                                       
CONECT   24   23   58   57   25                                       
CONECT   25   24   26   36                                            
CONECT   26   25   27   59   60                                       
CONECT   27   26   28   41   29                                       
CONECT   28   27   62   63   61                                       
CONECT   29   27   30                                                 
CONECT   30   29   31   31   35                                       
CONECT   31   30   30   64   32                                       
CONECT   32   31   65   33   33                                       
CONECT   33   32   32   66   34                                       
CONECT   34   33   35   35   67                                       
CONECT   35   30   34   34   36                                       
CONECT   36   25   35   38   38                                       
CONECT   36   37   37                                                 
CONECT   37   36   36                                                 
CONECT   38   36   36                                                 
CONECT   39   18   18   23   68                                       
CONECT   40   13                                                      
CONECT   41   27                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   39                                                      
CONECT   69   17                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
