COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.856   0.347   0.500  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.123   5.969  -0.375  1.00  0.00           C  
HETATM    3  C   UNL     1       0.227   2.318  -0.237  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.810  -0.977   1.572  1.00  0.00           O  
HETATM    5  C   UNL     1       2.278   1.113  -0.340  1.00  0.00           C  
HETATM    6  N   UNL     1       3.686  -0.918   0.684  1.00  0.00           N  
HETATM    7  C   UNL     1       3.679   0.951  -0.873  1.00  0.00           C  
HETATM    8  C   UNL     1       4.337  -0.227  -0.203  1.00  0.00           C  
HETATM    9  N   UNL     1       4.240  -2.019   1.338  1.00  0.00           N  
HETATM   10  C   UNL     1       5.499  -2.434   1.086  1.00  0.00           C  
HETATM   11  C   UNL     1       6.299  -1.704   0.095  1.00  0.00           C  
HETATM   12  C   UNL     1       7.605  -2.076  -0.218  1.00  0.00           C  
HETATM   13  C   UNL     1       8.311  -1.355  -1.156  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.656  -0.426   0.030  1.00  0.00           N  
HETATM   15  C   UNL     1       7.734  -0.264  -1.793  1.00  0.00           C  
HETATM   16  C   UNL     1       6.445   0.122  -1.500  1.00  0.00           C  
HETATM   17  C   UNL     1       5.710  -0.593  -0.552  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.730   0.073   1.309  1.00  0.00           S  
HETATM   19  O   UNL     1      -3.632   0.579   2.284  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.167  -1.439  -0.920  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.069  -2.666  -0.803  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.522  -2.268  -0.828  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.452  -3.246  -1.157  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.799  -2.951  -1.189  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.230  -1.672  -0.890  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.308  -0.698  -0.566  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.952  -0.992  -0.539  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.998   0.120  -0.199  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.774   1.446   0.756  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.527   1.238   0.199  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.277   3.611  -0.111  1.00  0.00           C  
HETATM   32  O   UNL     1       0.458   4.673  -0.536  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.528   3.811   0.450  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.273   2.730   0.882  1.00  0.00           C  
HETATM   35  N   UNL     1       1.494   2.110  -0.798  1.00  0.00           N  
HETATM   36  O   UNL     1       5.963  -3.398   1.670  1.00  0.00           O  
HETATM   37  H   UNL     1      -1.059   6.019  -0.930  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.316   6.151   0.682  1.00  0.00           H  
HETATM   39  H   UNL     1       0.565   6.725  -0.754  1.00  0.00           H  
HETATM   40  H   UNL     1       3.641   0.783  -1.949  1.00  0.00           H  
HETATM   41  H   UNL     1       4.253   1.854  -0.666  1.00  0.00           H  
HETATM   42  H   UNL     1       3.707  -2.497   1.992  1.00  0.00           H  
HETATM   43  H   UNL     1       8.062  -2.923   0.273  1.00  0.00           H  
HETATM   44  H   UNL     1       9.323  -1.641  -1.400  1.00  0.00           H  
HETATM   45  H   UNL     1       8.303   0.289  -2.525  1.00  0.00           H  
HETATM   46  H   UNL     1       6.004   0.972  -2.000  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.211  -1.044  -1.935  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.141  -1.711  -0.674  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.868  -3.340  -1.636  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.855  -3.181   0.134  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.118  -4.246  -1.390  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.516  -3.717  -1.447  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.284  -1.436  -0.910  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.644   0.301  -0.331  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.339   0.633   0.700  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.966   0.826  -1.029  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.139   0.235   0.102  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.921   4.812   0.549  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.249   2.888   1.318  1.00  0.00           H  
HETATM   60  H   UNL     1       1.807   2.682  -1.515  1.00  0.00           H  
CONECT    1    5    5                                                 
CONECT    2   32   37   38   39                                       
CONECT    3   35   31   31   30                                       
CONECT    4   18   18                                                 
CONECT    5    7   35    1    1                                       
CONECT    6    8    8    9                                            
CONECT    7    5    8   40   41                                       
CONECT    8    7    6    6   17                                       
CONECT    9    6   10   42                                            
CONECT   10    9   11   36   36                                       
CONECT   11   17   10   12   12                                       
CONECT   12   11   11   13   43                                       
CONECT   13   15   15   12   44                                       
CONECT   14   18   28   20                                            
CONECT   15   16   13   13   45                                       
CONECT   16   17   17   15   46                                       
CONECT   17    8   16   16   11                                       
CONECT   18    4    4   29   19                                       
CONECT   18   19   14                                                 
CONECT   19   18   18                                                 
CONECT   20   14   21   47   48                                       
CONECT   21   20   22   49   50                                       
CONECT   22   27   21   23   23                                       
CONECT   23   22   22   24   51                                       
CONECT   24   25   25   23   52                                       
CONECT   25   26   24   24   53                                       
CONECT   26   27   27   25   54                                       
CONECT   27   28   26   26   22                                       
CONECT   28   14   27   55   56                                       
CONECT   29   30   30   18   34                                       
CONECT   30    3   29   29   57                                       
CONECT   31   32    3    3   33                                       
CONECT   32    2   31                                                 
CONECT   33   31   34   34   58                                       
CONECT   34   33   33   29   59                                       
CONECT   35    3    5   60                                            
CONECT   36   10   10                                                 
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   30                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
