COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.572   1.464  -0.495  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.129  -1.123  -0.313  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.390  -3.422  -0.138  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.654  -5.693   0.036  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.350  -1.914  -0.250  1.00  0.00           C  
HETATM    6  C   UNL     1       8.592  -1.248   2.423  1.00  0.00           C  
HETATM    7  S   UNL     1       9.292  -1.544   0.776  1.00  0.00           S  
HETATM    8  O   UNL     1      10.244  -0.541   0.450  1.00  0.00           O  
HETATM    9  O   UNL     1       9.592  -2.923   0.602  1.00  0.00           O  
HETATM   10  N   UNL     1       8.033  -1.266  -0.264  1.00  0.00           N  
HETATM   11  C   UNL     1       7.488   0.015  -0.373  1.00  0.00           C  
HETATM   12  C   UNL     1       8.324   1.121  -0.469  1.00  0.00           C  
HETATM   13  C   UNL     1       7.788   2.390  -0.578  1.00  0.00           C  
HETATM   14  C   UNL     1       6.419   2.567  -0.591  1.00  0.00           C  
HETATM   15  C   UNL     1       4.101   1.651  -0.516  1.00  0.00           C  
HETATM   16  C   UNL     1       3.533   2.866  -0.620  1.00  0.00           C  
HETATM   17  S   UNL     1       1.783   2.658  -0.609  1.00  0.00           S  
HETATM   18  C   UNL     1       1.990   0.916  -0.461  1.00  0.00           C  
HETATM   19  N   UNL     1       0.959  -0.013  -0.392  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.323   0.401  -0.425  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.577   1.583  -0.515  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.442  -0.606  -0.350  1.00  0.00           C  
HETATM   23  S   UNL     1      -3.033   0.253  -0.417  1.00  0.00           S  
HETATM   24  N   UNL     1      -3.615  -2.325  -0.221  1.00  0.00           N  
HETATM   25  N   UNL     1      -3.861  -4.643  -0.044  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.037  -5.541   0.023  1.00  0.00           C  
HETATM   27  N   UNL     1      -6.578  -4.343  -0.070  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.796  -3.275  -0.150  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.551  -1.720  -0.260  1.00  0.00           O  
HETATM   30  N   UNL     1      -5.473  -0.886  -0.327  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.969   0.489  -0.427  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.138   1.073   0.977  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.648   2.487   0.875  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.009   2.731   0.861  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.477   4.029   0.767  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.585   5.081   0.687  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.225   4.837   0.701  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.756   3.540   0.801  1.00  0.00           C  
HETATM   39  N   UNL     1       3.256   0.633  -0.438  1.00  0.00           N  
HETATM   40  C   UNL     1       6.111   0.184  -0.386  1.00  0.00           C  
HETATM   41  H   UNL     1      -4.226  -6.681   0.112  1.00  0.00           H  
HETATM   42  H   UNL     1       9.361  -1.410   3.179  1.00  0.00           H  
HETATM   43  H   UNL     1       8.233  -0.221   2.486  1.00  0.00           H  
HETATM   44  H   UNL     1       7.763  -1.934   2.595  1.00  0.00           H  
HETATM   45  H   UNL     1       7.675  -1.993  -0.797  1.00  0.00           H  
HETATM   46  H   UNL     1       9.396   0.988  -0.459  1.00  0.00           H  
HETATM   47  H   UNL     1       8.442   3.246  -0.653  1.00  0.00           H  
HETATM   48  H   UNL     1       6.004   3.560  -0.676  1.00  0.00           H  
HETATM   49  H   UNL     1       4.058   3.806  -0.697  1.00  0.00           H  
HETATM   50  H   UNL     1       1.162  -0.959  -0.320  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.366  -1.297  -1.189  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.368  -1.162   0.586  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.672  -6.412   0.088  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.256   1.092  -0.988  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.931   0.491  -0.940  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.851   0.469   1.539  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.176   1.070   1.490  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.706   1.909   0.923  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.540   4.220   0.755  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.951   6.095   0.613  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.528   5.660   0.638  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.693   3.350   0.816  1.00  0.00           H  
HETATM   63  H   UNL     1       5.459  -0.674  -0.311  1.00  0.00           H  
CONECT    1   14   15   40   40                                       
CONECT    2   30   24   24   23                                       
CONECT    3   28   28   25   24                                       
CONECT    4   26   25   25   41                                       
CONECT    5   29   29   28   30                                       
CONECT    6    7   42   43   44                                       
CONECT    7   10    8    8    6                                       
CONECT    7    9    9                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10   11    7   45                                            
CONECT   11   12   12   40   10                                       
CONECT   12   13   11   11   46                                       
CONECT   13   14   14   12   47                                       
CONECT   14   13   13    1   48                                       
CONECT   15   39    1   16   16                                       
CONECT   16   17   15   15   49                                       
CONECT   17   18   16                                                 
CONECT   18   19   39   39   17                                       
CONECT   19   20   18   50                                            
CONECT   20   22   19   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   23   20   51   52                                       
CONECT   23    2   22                                                 
CONECT   24    3    2    2                                            
CONECT   25    4    4    3                                            
CONECT   26   27   27    4   53                                       
CONECT   27   26   26   28                                            
CONECT   28   27    5    3    3                                       
CONECT   29    5    5                                                 
CONECT   30    5   31    2                                            
CONECT   31   32   30   54   55                                       
CONECT   32   33   31   56   57                                       
CONECT   33   32   38   38   34                                       
CONECT   34   33   35   35   58                                       
CONECT   35   34   34   36   59                                       
CONECT   36   37   37   35   60                                       
CONECT   37   38   36   36   61                                       
CONECT   38   33   33   37   62                                       
CONECT   39   18   18   15                                            
CONECT   40    1    1   11   63                                       
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   16                                                      
CONECT   50   19                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   26                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
CONECT   58   34                                                      
CONECT   59   35                                                      
CONECT   60   36                                                      
CONECT   61   37                                                      
CONECT   62   38                                                      
CONECT   63   40                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
