COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.179   4.710   0.383  1.00  0.00           C  
HETATM    2  C   UNL     1       1.928   3.671  -0.453  1.00  0.00           C  
HETATM    3  C   UNL     1       1.868   2.333   0.238  1.00  0.00           C  
HETATM    4  O   UNL     1       1.284   2.222   1.295  1.00  0.00           O  
HETATM    5  N   UNL     1       2.464   1.259  -0.319  1.00  0.00           N  
HETATM    6  C   UNL     1       3.599  -0.902  -0.082  1.00  0.00           C  
HETATM    7  O   UNL     1       4.797  -0.385   0.500  1.00  0.00           O  
HETATM    8  C   UNL     1       3.381  -2.342   0.391  1.00  0.00           C  
HETATM    9  O   UNL     1       4.577  -3.097   0.188  1.00  0.00           O  
HETATM   10  C   UNL     1       2.236  -2.975  -0.407  1.00  0.00           C  
HETATM   11  C   UNL     1       1.852  -4.316   0.222  1.00  0.00           C  
HETATM   12  O   UNL     1       0.866  -4.958  -0.589  1.00  0.00           O  
HETATM   13  N   UNL     1       1.083  -2.071  -0.376  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.215  -2.364  -0.670  1.00  0.00           C  
HETATM   15  C   UNL     1       1.137  -0.761  -0.040  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.062  -0.262  -0.117  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.917  -1.224  -0.502  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.400  -1.059  -0.712  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.034  -0.488   0.558  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.517  -0.323   0.349  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.379  -1.358   0.661  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.739  -1.206   0.469  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.238  -0.019  -0.035  1.00  0.00           C  
HETATM   24  C   UNL     1       2.405  -0.041   0.353  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.376   1.016  -0.346  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.016   0.866  -0.150  1.00  0.00           C  
HETATM   27  S   UNL     1       1.251   6.321  -0.449  1.00  0.00           S  
HETATM   28  H   UNL     1       0.139   4.405   0.494  1.00  0.00           H  
HETATM   29  H   UNL     1       1.643   4.788   1.366  1.00  0.00           H  
HETATM   30  H   UNL     1       1.465   3.593  -1.437  1.00  0.00           H  
HETATM   31  H   UNL     1       2.969   3.975  -0.565  1.00  0.00           H  
HETATM   32  H   UNL     1       0.564   7.123   0.384  1.00  0.00           H  
HETATM   33  H   UNL     1       2.931   1.348  -1.164  1.00  0.00           H  
HETATM   34  H   UNL     1       2.429   0.102   1.433  1.00  0.00           H  
HETATM   35  H   UNL     1       3.684  -0.885  -1.168  1.00  0.00           H  
HETATM   36  H   UNL     1       5.593  -0.884   0.270  1.00  0.00           H  
HETATM   37  H   UNL     1       3.128  -2.342   1.452  1.00  0.00           H  
HETATM   38  H   UNL     1       5.345  -2.753   0.664  1.00  0.00           H  
HETATM   39  H   UNL     1       2.552  -3.132  -1.438  1.00  0.00           H  
HETATM   40  H   UNL     1       2.735  -4.951   0.291  1.00  0.00           H  
HETATM   41  H   UNL     1       1.448  -4.147   1.220  1.00  0.00           H  
HETATM   42  H   UNL     1       0.575  -5.816  -0.249  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.607  -3.323  -0.977  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.576  -0.376  -1.543  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.845  -2.028  -0.937  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.858  -1.171   1.390  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.588   0.481   0.783  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.989  -2.285   1.055  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.343   1.676  -0.389  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.412  -2.015   0.712  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.301   0.099  -0.185  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.766   1.943  -0.740  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    1    3   30   31                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3   24   33                                            
CONECT    6    7    8   24   35                                       
CONECT    7    6   36                                                 
CONECT    8    6    9   10   37                                       
CONECT    9    8   38                                                 
CONECT   10    8   11   13   39                                       
CONECT   11   10   12   40   41                                       
CONECT   12   11   42                                                 
CONECT   13   10   14   15                                            
CONECT   14   13   17   17   43                                       
CONECT   15   13   16   16   24                                       
CONECT   16   15   15   17                                            
CONECT   17   14   14   16   18                                       
CONECT   18   17   19   44   45                                       
CONECT   19   18   20   46   47                                       
CONECT   20   19   21   26   26                                       
CONECT   21   20   22   22   48                                       
CONECT   22   21   21   23   50                                       
CONECT   23   22   25   25   51                                       
CONECT   24    5    6   15   34                                       
CONECT   25   23   23   26   52                                       
CONECT   26   20   20   25   49                                       
CONECT   27    1   32                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32   27                                                      
CONECT   33    5                                                      
CONECT   34   24                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   26                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
