COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.151   0.187  -0.993  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.603   0.667  -0.951  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.979   3.006  -1.012  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.405   1.256   1.334  1.00  0.00           O  
HETATM    5  O   UNL     1       5.635  -0.822  -0.335  1.00  0.00           O  
HETATM    6  C   UNL     1       1.141  -1.888   0.009  1.00  0.00           C  
HETATM    7  C   UNL     1       1.409  -3.249  -0.169  1.00  0.00           C  
HETATM    8  C   UNL     1       3.653  -2.795  -0.304  1.00  0.00           C  
HETATM    9  C   UNL     1       3.389  -1.427  -0.121  1.00  0.00           C  
HETATM   10  C   UNL     1       4.500  -0.454  -0.097  1.00  0.00           C  
HETATM   11  C   UNL     1       5.292   1.778   0.118  1.00  0.00           C  
HETATM   12  C   UNL     1       5.031   3.072  -0.314  1.00  0.00           C  
HETATM   13  C   UNL     1       6.055   3.996  -0.380  1.00  0.00           C  
HETATM   14  C   UNL     1       7.339   3.634  -0.018  1.00  0.00           C  
HETATM   15  C   UNL     1       7.603   2.346   0.412  1.00  0.00           C  
HETATM   16  C   UNL     1       6.582   1.419   0.486  1.00  0.00           C  
HETATM   17  N   UNL     1      -6.672   1.957  -0.252  1.00  0.00           N  
HETATM   18  C   UNL     1      -5.079  -1.156  -1.722  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.181  -1.093   1.347  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.842   0.364   0.411  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.066   2.336   0.017  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.868  -0.559   0.497  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.595  -1.913   0.425  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.295  -2.350   0.266  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.257  -1.424   0.179  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.539  -0.061   0.247  1.00  0.00           C  
HETATM   27  N   UNL     1       2.651  -3.667  -0.320  1.00  0.00           N  
HETATM   28  N   UNL     1       4.955  -3.234  -0.463  1.00  0.00           N  
HETATM   29  N   UNL     1       2.136  -1.012   0.032  1.00  0.00           N  
HETATM   30  N   UNL     1       4.257   0.840   0.187  1.00  0.00           N  
HETATM   31  S   UNL     1      -4.530  -0.009   0.699  1.00  0.00           S  
HETATM   32  H   UNL     1      -4.541   0.920  -1.522  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.977   0.785  -1.969  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.213  -0.065  -0.423  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.446   3.114  -1.991  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.045   3.951  -0.472  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.931   2.732  -1.138  1.00  0.00           H  
HETATM   38  H   UNL     1       0.596  -3.960  -0.182  1.00  0.00           H  
HETATM   39  H   UNL     1       4.028   3.356  -0.597  1.00  0.00           H  
HETATM   40  H   UNL     1       5.853   5.003  -0.716  1.00  0.00           H  
HETATM   41  H   UNL     1       8.140   4.357  -0.075  1.00  0.00           H  
HETATM   42  H   UNL     1       8.607   2.066   0.694  1.00  0.00           H  
HETATM   43  H   UNL     1       6.788   0.414   0.822  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.045  -1.499  -1.752  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.689  -1.889  -1.194  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.453  -1.039  -2.739  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.061   1.420   0.469  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.535   1.575   0.641  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.088   3.295   0.536  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.608   2.420  -0.924  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.400  -2.630   0.492  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.083  -3.408   0.211  1.00  0.00           H  
HETATM   53  H   UNL     1       0.261   0.661   0.180  1.00  0.00           H  
HETATM   54  H   UNL     1       5.144  -4.184  -0.509  1.00  0.00           H  
HETATM   55  H   UNL     1       5.678  -2.591  -0.529  1.00  0.00           H  
HETATM   56  H   UNL     1       3.363   1.122   0.439  1.00  0.00           H  
CONECT    1   31    2   18   32                                       
CONECT    2    1   17   33   34                                       
CONECT    3   17   35   36   37                                       
CONECT    4   31   31                                                 
CONECT    5   10   10                                                 
CONECT    6   29   25    7    7                                       
CONECT    7    6    6   27   38                                       
CONECT    8    9   28   27   27                                       
CONECT    9   10   29   29    8                                       
CONECT   10   30    5    5    9                                       
CONECT   11   16   16   12   30                                       
CONECT   12   13   13   11   39                                       
CONECT   13   14   12   12   40                                       
CONECT   14   15   15   13   41                                       
CONECT   15   14   14   16   42                                       
CONECT   16   15   11   11   43                                       
CONECT   17   21    2    3                                            
CONECT   18    1   44   45   46                                       
CONECT   19   31   31                                                 
CONECT   20   26   26   22   47                                       
CONECT   21   17   48   49   50                                       
CONECT   22   20   31   23   23                                       
CONECT   23   22   22   24   51                                       
CONECT   24   25   25   23   52                                       
CONECT   25   26    6   24   24                                       
CONECT   26   20   20   25   53                                       
CONECT   27    8    8    7                                            
CONECT   28    8   54   55                                            
CONECT   29    9    9    6                                            
CONECT   30   11   10   56                                            
CONECT   31    4    4   22   19                                       
CONECT   31   19    1                                                 
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    7                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   26                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
