COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       8.724   3.940   0.820  1.00  0.00           N  
HETATM    2  C   UNL     1       8.392   2.823   0.073  1.00  0.00           C  
HETATM    3  N   UNL     1       9.182   2.403  -0.910  1.00  0.00           N  
HETATM    4  C   UNL     1       8.873   1.338  -1.627  1.00  0.00           C  
HETATM    5  N   UNL     1       7.779   0.638  -1.417  1.00  0.00           N  
HETATM    6  C   UNL     1       6.928   0.982  -0.456  1.00  0.00           C  
HETATM    7  C   UNL     1       7.215   2.104   0.340  1.00  0.00           C  
HETATM    8  N   UNL     1       6.205   2.227   1.235  1.00  0.00           N  
HETATM    9  C   UNL     1       5.341   1.273   1.047  1.00  0.00           C  
HETATM   10  N   UNL     1       5.737   0.483   0.009  1.00  0.00           N  
HETATM   11  C   UNL     1       5.030  -0.692  -0.506  1.00  0.00           C  
HETATM   12  O   UNL     1       3.623  -0.611  -0.190  1.00  0.00           O  
HETATM   13  C   UNL     1       3.135  -1.967  -0.277  1.00  0.00           C  
HETATM   14  C   UNL     1       4.246  -2.829   0.363  1.00  0.00           C  
HETATM   15  O   UNL     1       4.387  -4.066  -0.338  1.00  0.00           O  
HETATM   16  C   UNL     1       5.522  -1.971   0.209  1.00  0.00           C  
HETATM   17  O   UNL     1       6.490  -2.652  -0.591  1.00  0.00           O  
HETATM   18  C   UNL     1       1.829  -2.114   0.507  1.00  0.00           C  
HETATM   19  S   UNL     1       0.529  -1.136  -0.296  1.00  0.00           S  
HETATM   20  C   UNL     1      -0.916  -1.433   0.760  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.118  -0.664   0.208  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.336  -0.914   1.099  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.487  -0.178   0.570  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.678  -0.249   1.196  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.862   0.508   0.652  1.00  0.00           C  
HETATM   26  N   UNL     1      -7.872   0.674   1.710  1.00  0.00           N  
HETATM   27  C   UNL     1      -8.904   1.623   1.283  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.466   1.223  -0.057  1.00  0.00           C  
HETATM   29  C   UNL     1     -10.680   1.764  -0.451  1.00  0.00           C  
HETATM   30  C   UNL     1     -11.230   1.429  -1.672  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.568   0.549  -2.507  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.359   0.008  -2.115  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.807   0.343  -0.888  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.490  -0.278  -0.499  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.798  -0.923   2.198  1.00  0.00           O  
HETATM   36  H   UNL     1       9.542   4.426   0.629  1.00  0.00           H  
HETATM   37  H   UNL     1       8.138   4.239   1.532  1.00  0.00           H  
HETATM   38  H   UNL     1       9.543   1.031  -2.417  1.00  0.00           H  
HETATM   39  H   UNL     1       4.438   1.132   1.622  1.00  0.00           H  
HETATM   40  H   UNL     1       5.174  -0.779  -1.583  1.00  0.00           H  
HETATM   41  H   UNL     1       2.987  -2.251  -1.319  1.00  0.00           H  
HETATM   42  H   UNL     1       4.030  -3.010   1.416  1.00  0.00           H  
HETATM   43  H   UNL     1       5.071  -4.646   0.022  1.00  0.00           H  
HETATM   44  H   UNL     1       5.937  -1.726   1.187  1.00  0.00           H  
HETATM   45  H   UNL     1       6.832  -3.462  -0.190  1.00  0.00           H  
HETATM   46  H   UNL     1       1.534  -3.163   0.528  1.00  0.00           H  
HETATM   47  H   UNL     1       1.975  -1.757   1.526  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.142  -2.499   0.775  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.701  -1.093   1.773  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.891   0.402   0.193  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.332  -1.004  -0.805  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.563  -1.980   1.113  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.122  -0.574   2.112  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.392   0.361  -0.231  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.540   1.487   0.298  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.279  -0.214   1.963  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.707   1.638   2.020  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.469   2.619   1.208  1.00  0.00           H  
HETATM   59  H   UNL     1     -11.199   2.452   0.200  1.00  0.00           H  
HETATM   60  H   UNL     1     -12.177   1.852  -1.974  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.994   0.284  -3.464  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.841  -0.679  -2.768  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.817  -0.266  -1.355  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.656  -1.309  -0.185  1.00  0.00           H  
CONECT    1    2   36   37                                            
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5   38                                       
CONECT    5    4    4    6                                            
CONECT    6    5    7    7   10                                       
CONECT    7    2    6    6    8                                       
CONECT    8    7    9    9                                            
CONECT    9    8    8   10   39                                       
CONECT   10    6    9   11                                            
CONECT   11   10   12   16   40                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   18   41                                       
CONECT   14   13   15   16   42                                       
CONECT   15   14   43                                                 
CONECT   16   11   14   17   44                                       
CONECT   17   16   45                                                 
CONECT   18   13   19   46   47                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   48   49                                       
CONECT   21   20   22   50   51                                       
CONECT   22   21   23   52   53                                       
CONECT   23   22   24   54                                            
CONECT   24   23   25   35   35                                       
CONECT   25   24   26   34   55                                       
CONECT   26   25   27   56                                            
CONECT   27   26   28   57   58                                       
CONECT   28   27   29   29   33                                       
CONECT   29   28   28   30   59                                       
CONECT   30   29   31   31   60                                       
CONECT   31   30   30   32   61                                       
CONECT   32   31   33   33   62                                       
CONECT   33   28   32   32   34                                       
CONECT   34   25   33   63   64                                       
CONECT   35   24   24                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    4                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
