COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.235  -0.305   0.927  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.919  -0.621   2.054  1.00  0.00           O  
HETATM    3  N   UNL     1      -0.287  -0.125  -0.013  1.00  0.00           N  
HETATM    4  C   UNL     1       1.126  -0.312   0.326  1.00  0.00           C  
HETATM    5  C   UNL     1       1.489  -1.793   0.200  1.00  0.00           C  
HETATM    6  C   UNL     1       0.712  -2.599   1.243  1.00  0.00           C  
HETATM    7  C   UNL     1       1.981   0.496  -0.615  1.00  0.00           C  
HETATM    8  O   UNL     1       1.461   1.163  -1.485  1.00  0.00           O  
HETATM    9  N   UNL     1       3.323   0.478  -0.492  1.00  0.00           N  
HETATM   10  C   UNL     1       4.153   1.264  -1.407  1.00  0.00           C  
HETATM   11  C   UNL     1       6.327   0.050  -1.649  1.00  0.00           C  
HETATM   12  C   UNL     1       7.658  -0.132  -1.333  1.00  0.00           C  
HETATM   13  C   UNL     1       8.277   0.718  -0.416  1.00  0.00           C  
HETATM   14  C   UNL     1       7.544   1.746   0.176  1.00  0.00           C  
HETATM   15  C   UNL     1       6.216   1.921  -0.152  1.00  0.00           C  
HETATM   16  C   UNL     1       5.606   1.072  -1.058  1.00  0.00           C  
HETATM   17  C   UNL     1       9.704   0.528  -0.072  1.00  0.00           C  
HETATM   18  N   UNL     1      10.386  -0.434  -0.627  1.00  0.00           N  
HETATM   19  C   UNL     1       1.069  -4.058   1.118  1.00  0.00           C  
HETATM   20  O   UNL     1       1.867  -4.418   0.279  1.00  0.00           O  
HETATM   21  N   UNL     1       0.502  -4.963   1.940  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.212  -1.361  -0.134  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.460   0.111   1.803  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.689  -0.112   0.578  1.00  0.00           C  
HETATM   25  S   UNL     1      -3.785   1.654   2.308  1.00  0.00           S  
HETATM   26  O   UNL     1      -4.508   1.446   3.513  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.503   2.267   2.292  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.852   2.303   0.992  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.245   3.745   1.318  1.00  0.00           C  
HETATM   30  N   UNL     1      10.312   1.369   0.834  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.441   0.626  -3.955  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.140   0.079  -2.901  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.449  -0.478  -1.829  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.042  -0.470  -1.836  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.355   0.084  -2.918  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.053   0.627  -3.960  1.00  0.00           C  
HETATM   37  N   UNL     1      -6.846  -1.085  -0.659  1.00  0.00           N  
HETATM   38  C   UNL     1      -5.748  -1.462   0.065  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.628  -1.122  -0.592  1.00  0.00           C  
HETATM   40  H   UNL     1      -0.539   0.128  -0.915  1.00  0.00           H  
HETATM   41  H   UNL     1       1.301   0.019   1.350  1.00  0.00           H  
HETATM   42  H   UNL     1       1.231  -2.147  -0.798  1.00  0.00           H  
HETATM   43  H   UNL     1       2.559  -1.921   0.366  1.00  0.00           H  
HETATM   44  H   UNL     1       0.969  -2.246   2.241  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.358  -2.472   1.077  1.00  0.00           H  
HETATM   46  H   UNL     1       3.738  -0.055   0.204  1.00  0.00           H  
HETATM   47  H   UNL     1       3.979   0.933  -2.431  1.00  0.00           H  
HETATM   48  H   UNL     1       3.895   2.319  -1.317  1.00  0.00           H  
HETATM   49  H   UNL     1       5.847  -0.608  -2.359  1.00  0.00           H  
HETATM   50  H   UNL     1       8.220  -0.930  -1.795  1.00  0.00           H  
HETATM   51  H   UNL     1       8.018   2.408   0.887  1.00  0.00           H  
HETATM   52  H   UNL     1       5.648   2.718   0.306  1.00  0.00           H  
HETATM   53  H   UNL     1      11.321  -0.558  -0.402  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.136  -4.676   2.612  1.00  0.00           H  
HETATM   55  H   UNL     1       0.732  -5.902   1.860  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.582  -1.578  -0.997  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.190  -2.207   0.553  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.780  -0.646   2.319  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.793   0.751  -0.079  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.751   1.690   0.917  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.316   2.278   0.043  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.886   4.135   0.527  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.781   3.770   2.267  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.346   4.358   1.393  1.00  0.00           H  
HETATM   65  H   UNL     1       9.805   2.086   1.247  1.00  0.00           H  
HETATM   66  H   UNL     1      11.248   1.245   1.059  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.979   1.058  -4.786  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.220   0.083  -2.906  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.275   0.088  -2.929  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.521   1.059  -4.794  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.767  -1.225  -0.387  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.777  -1.959   1.023  1.00  0.00           H  
CONECT    1    2    2    3   24                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   40                                            
CONECT    4    3    5    7   41                                       
CONECT    5    4    6   42   43                                       
CONECT    6    5   19   44   45                                       
CONECT    7    4    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   46                                            
CONECT   10    9   16   47   48                                       
CONECT   11   12   16   16   49                                       
CONECT   12   11   13   13   50                                       
CONECT   13   12   12   14   17                                       
CONECT   14   13   15   15   51                                       
CONECT   15   14   14   16   52                                       
CONECT   16   10   11   11   15                                       
CONECT   17   13   18   18   30                                       
CONECT   18   17   17   53                                            
CONECT   19    6   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   54   55                                            
CONECT   22   24   39   56   57                                       
CONECT   23   24   25   58                                            
CONECT   24    1   22   23   59                                       
CONECT   25   23   26   26   27                                       
CONECT   25   27   28                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   29   60   61                                       
CONECT   29   28   62   63   64                                       
CONECT   30   17   65   66                                            
CONECT   31   32   32   36   67                                       
CONECT   32   31   31   33   68                                       
CONECT   33   32   34   34   37                                       
CONECT   34   33   33   35   39                                       
CONECT   35   34   36   36   69                                       
CONECT   36   31   35   35   70                                       
CONECT   37   33   38   71                                            
CONECT   38   37   39   39   72                                       
CONECT   39   22   34   38   38                                       
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   18                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
