COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.453  -1.414   6.706  1.00  0.00           O  
HETATM    2  C   UNL     1       1.986  -0.193   6.400  1.00  0.00           C  
HETATM    3  O   UNL     1       2.174   0.731   7.155  1.00  0.00           O  
HETATM    4  C   UNL     1       1.228   0.023   5.116  1.00  0.00           C  
HETATM    5  C   UNL     1       2.208   0.400   4.003  1.00  0.00           C  
HETATM    6  N   UNL     1       1.485   0.512   2.734  1.00  0.00           N  
HETATM    7  C   UNL     1       2.162   0.735   1.590  1.00  0.00           C  
HETATM    8  O   UNL     1       3.361   0.939   1.622  1.00  0.00           O  
HETATM    9  C   UNL     1       1.454   0.732   0.308  1.00  0.00           C  
HETATM   10  C   UNL     1       1.966   0.847  -0.947  1.00  0.00           C  
HETATM   11  C   UNL     1       1.116   0.817  -2.081  1.00  0.00           C  
HETATM   12  C   UNL     1       1.346   0.909  -3.535  1.00  0.00           C  
HETATM   13  C   UNL     1       0.314   0.855  -4.382  1.00  0.00           C  
HETATM   14  C   UNL     1       0.335   0.930  -5.887  1.00  0.00           C  
HETATM   15  C   UNL     1       0.475  -0.478  -6.466  1.00  0.00           C  
HETATM   16  C   UNL     1       0.496  -0.402  -7.994  1.00  0.00           C  
HETATM   17  C   UNL     1       0.637  -1.812  -8.576  1.00  0.00           C  
HETATM   18  C   UNL     1       0.542  -1.738 -10.101  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.767  -1.207 -10.492  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.833   0.180 -10.024  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.813   0.213  -8.494  1.00  0.00           C  
HETATM   22  S   UNL     1      -1.092   0.671  -3.301  1.00  0.00           S  
HETATM   23  C   UNL     1      -0.245   0.675  -1.759  1.00  0.00           C  
HETATM   24  S   UNL     1      -0.297   0.584  -0.001  1.00  0.00           S  
HETATM   25  N   UNL     1       0.523  -1.207   4.751  1.00  0.00           N  
HETATM   26  S   UNL     1      -1.059  -1.416   5.189  1.00  0.00           S  
HETATM   27  O   UNL     1      -1.448  -2.670   4.646  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.130  -1.057   6.562  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.008  -0.206   4.329  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.614  -0.517   3.121  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.350   0.465   2.479  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.456   1.715   3.060  1.00  0.00           C  
HETATM   33  N   UNL     1      -2.866   1.976   4.210  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.163   1.063   4.852  1.00  0.00           C  
HETATM   35  H   UNL     1       2.940  -1.553   7.530  1.00  0.00           H  
HETATM   36  H   UNL     1       0.506   0.829   5.252  1.00  0.00           H  
HETATM   37  H   UNL     1       2.677   1.354   4.239  1.00  0.00           H  
HETATM   38  H   UNL     1       2.974  -0.370   3.917  1.00  0.00           H  
HETATM   39  H   UNL     1       0.518   0.426   2.716  1.00  0.00           H  
HETATM   40  H   UNL     1       3.032   0.959  -1.081  1.00  0.00           H  
HETATM   41  H   UNL     1       2.350   1.021  -3.916  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.593   1.377  -6.241  1.00  0.00           H  
HETATM   43  H   UNL     1       1.178   1.541  -6.209  1.00  0.00           H  
HETATM   44  H   UNL     1       1.404  -0.926  -6.112  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.367  -1.090  -6.144  1.00  0.00           H  
HETATM   46  H   UNL     1       1.337   0.211  -8.317  1.00  0.00           H  
HETATM   47  H   UNL     1       1.603  -2.229  -8.291  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.161  -2.446  -8.192  1.00  0.00           H  
HETATM   49  H   UNL     1       1.326  -1.084 -10.482  1.00  0.00           H  
HETATM   50  H   UNL     1       0.668  -2.736 -10.521  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.778  -1.174 -11.500  1.00  0.00           H  
HETATM   52  H   UNL     1       0.023   0.733 -10.409  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.752   0.642 -10.384  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.656  -0.359  -8.107  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.885   1.245  -8.151  1.00  0.00           H  
HETATM   56  H   UNL     1       0.984  -1.900   4.253  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.513  -1.503   2.690  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.835   0.258   1.536  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.028   2.486   2.566  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.694   1.314   5.792  1.00  0.00           H  
CONECT    1    2   35                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   25   36                                       
CONECT    5    4    6   37   38                                       
CONECT    6    5    7   39                                            
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   10   24                                       
CONECT   10    9    9   11   40                                       
CONECT   11   10   12   23   23                                       
CONECT   12   11   13   13   41                                       
CONECT   13   12   12   14   22                                       
CONECT   14   13   15   42   43                                       
CONECT   15   14   16   44   45                                       
CONECT   16   15   17   21   46                                       
CONECT   17   16   18   47   48                                       
CONECT   18   17   19   49   50                                       
CONECT   19   18   20   51                                            
CONECT   20   19   21   52   53                                       
CONECT   21   16   20   54   55                                       
CONECT   22   13   23                                                 
CONECT   23   11   11   22   24                                       
CONECT   24    9   23                                                 
CONECT   25    4   26   56                                            
CONECT   26   25   27   27   28                                       
CONECT   26   28   29                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29   26   30   30   34                                       
CONECT   30   29   29   31   57                                       
CONECT   31   30   32   32   58                                       
CONECT   32   31   31   33   59                                       
CONECT   33   32   34   34                                            
CONECT   34   29   33   33   60                                       
CONECT   35    1                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   25                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   34                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
