COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.636   0.538  -0.442  1.00  0.00           C  
HETATM    2  C   UNL     1       0.254   0.526  -1.129  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.207   0.515  -0.382  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.408  -0.294   0.051  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.102  -0.545  -0.252  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.977   2.068   0.105  1.00  0.00           C  
HETATM    7  C   UNL     1       7.579  -0.551   0.422  1.00  0.00           C  
HETATM    8  C   UNL     1       6.273  -1.335   0.576  1.00  0.00           C  
HETATM    9  C   UNL     1       4.958   0.624   0.149  1.00  0.00           C  
HETATM   10  C   UNL     1       6.211   1.487  -0.023  1.00  0.00           C  
HETATM   11  C   UNL     1       7.342   0.906   0.831  1.00  0.00           C  
HETATM   12  C   UNL     1       6.487  -2.778   0.112  1.00  0.00           C  
HETATM   13  C   UNL     1       1.602   1.148  -1.389  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.879   1.202  -0.845  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.661   1.817  -0.201  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.891   1.008   0.239  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.324   1.034   0.556  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.013  -0.780  -1.149  1.00  0.00           N  
HETATM   19  N   UNL     1      -1.258  -0.978  -0.887  1.00  0.00           N  
HETATM   20  N   UNL     1      -1.863   0.272  -0.688  1.00  0.00           N  
HETATM   21  N   UNL     1      -7.975  -0.136   0.625  1.00  0.00           N  
HETATM   22  O   UNL     1       5.256  -0.724  -0.220  1.00  0.00           O  
HETATM   23  O   UNL     1       6.976   0.961   2.211  1.00  0.00           O  
HETATM   24  O   UNL     1       8.008  -0.601  -0.941  1.00  0.00           O  
HETATM   25  O   UNL     1       5.304  -3.539   0.364  1.00  0.00           O  
HETATM   26  O   UNL     1       5.932   2.823   0.400  1.00  0.00           O  
HETATM   27  O   UNL     1       3.914   1.127  -0.688  1.00  0.00           O  
HETATM   28  O   UNL     1      -7.903   2.085   0.751  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.630  -2.052   1.497  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.168  -1.898  -0.952  1.00  0.00           O  
HETATM   31  S   UNL     1      -6.835  -1.314   0.300  1.00  0.00           S  
HETATM   32  H   UNL     1       2.341   0.728   0.590  1.00  0.00           H  
HETATM   33  H   UNL     1       2.694  -0.538  -0.611  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.762  -1.561  -0.391  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.311   3.086   0.243  1.00  0.00           H  
HETATM   36  H   UNL     1       8.345  -0.989   1.062  1.00  0.00           H  
HETATM   37  H   UNL     1       5.968  -1.331   1.622  1.00  0.00           H  
HETATM   38  H   UNL     1       4.635   0.654   1.189  1.00  0.00           H  
HETATM   39  H   UNL     1       6.510   1.491  -1.071  1.00  0.00           H  
HETATM   40  H   UNL     1       8.253   1.482   0.671  1.00  0.00           H  
HETATM   41  H   UNL     1       6.704  -2.787  -0.956  1.00  0.00           H  
HETATM   42  H   UNL     1       7.323  -3.215   0.657  1.00  0.00           H  
HETATM   43  H   UNL     1       1.544   2.224  -1.220  1.00  0.00           H  
HETATM   44  H   UNL     1       1.897   0.958  -2.421  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.986   2.274  -0.758  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.970   2.641  -0.301  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.915  -0.271   0.824  1.00  0.00           H  
HETATM   48  H   UNL     1       6.810   1.856   2.539  1.00  0.00           H  
HETATM   49  H   UNL     1       8.829  -0.119  -1.112  1.00  0.00           H  
HETATM   50  H   UNL     1       5.367  -4.465   0.094  1.00  0.00           H  
HETATM   51  H   UNL     1       5.220   3.252  -0.096  1.00  0.00           H  
CONECT    1   27   13   32   33                                       
CONECT    2   13   14   14   18                                       
CONECT    3   15   20    5    5                                       
CONECT    4   16   16    5   31                                       
CONECT    5    3    3    4   34                                       
CONECT    6   15   15   16   35                                       
CONECT    7   24   11    8   36                                       
CONECT    8   12    7   22   37                                       
CONECT    9   22   10   27   38                                       
CONECT   10   11   26    9   39                                       
CONECT   11    7   23   10   40                                       
CONECT   12    8   25   41   42                                       
CONECT   13    1    2   43   44                                       
CONECT   14    2    2   20   45                                       
CONECT   15    6    6    3   46                                       
CONECT   16    6   17    4    4                                       
CONECT   17   28   28   16   21                                       
CONECT   18    2   19   19                                            
CONECT   19   20   18   18                                            
CONECT   20   14    3   19                                            
CONECT   21   17   31   47                                            
CONECT   22    8    9                                                 
CONECT   23   11   48                                                 
CONECT   24    7   49                                                 
CONECT   25   12   50                                                 
CONECT   26   10   51                                                 
CONECT   27    9    1                                                 
CONECT   28   17   17                                                 
CONECT   29   31   31                                                 
CONECT   30   31   31                                                 
CONECT   31    4   21   29   29                                       
CONECT   31   30   30                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
