COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.010   1.458  -3.642  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.519   1.542  -5.093  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.945   0.133  -5.453  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.408  -0.542  -4.279  1.00  0.00           N  
HETATM    5  S   UNL     1      -4.122   0.324  -2.809  1.00  0.00           S  
HETATM    6  O   UNL     1      -3.369  -0.507  -1.894  1.00  0.00           O  
HETATM    7  O   UNL     1      -5.340   1.004  -2.421  1.00  0.00           O  
HETATM    8  O   UNL     1      -3.909  -0.354  -6.571  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.907   2.722  -2.832  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.005   2.800  -1.772  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.910   3.972  -1.022  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.719   5.051  -1.341  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.621   4.988  -2.392  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.715   3.816  -3.142  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.615   6.320  -0.530  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.568   6.335   0.670  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.120   7.372   1.690  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.457   8.553   1.657  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.333   6.835   2.687  1.00  0.00           N  
HETATM   20  N   UNL     1      -4.922   6.671   0.289  1.00  0.00           N  
HETATM   21  C   UNL     1      -6.009   5.844   0.532  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.304   6.424  -0.026  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.952   4.750   1.089  1.00  0.00           O  
HETATM   24  N   UNL     1      -8.080   5.322  -0.536  1.00  0.00           N  
HETATM   25  C   UNL     1      -8.051   7.205   1.062  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.073   8.161   0.496  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.694   9.459   0.194  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.639  10.343  -0.328  1.00  0.00           C  
HETATM   29  C   UNL     1     -10.950   9.916  -0.542  1.00  0.00           C  
HETATM   30  C   UNL     1     -11.316   8.606  -0.233  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.371   7.723   0.289  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.940   4.823  -1.819  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.164   5.232  -2.676  1.00  0.00           O  
HETATM   34  C   UNL     1      -8.845   3.678  -2.132  1.00  0.00           C  
HETATM   35  H   UNL     1      -2.025   0.975  -3.634  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.736   1.895  -5.769  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.390   2.200  -5.178  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.445  -1.568  -4.273  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.371   1.953  -1.524  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.204   4.025  -0.197  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.254   5.836  -2.641  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.421   3.764  -3.967  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.579   6.460  -0.194  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.821   7.170  -1.194  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.613   5.353   1.155  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.998   7.444   3.427  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.077   5.853   2.708  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.085   7.557  -0.180  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.069   7.064  -0.885  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.766   4.889   0.079  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.339   7.755   1.692  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.565   6.515   1.744  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.676   9.801   0.358  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.354  11.363  -0.568  1.00  0.00           H  
HETATM   55  H   UNL     1     -11.685  10.604  -0.949  1.00  0.00           H  
HETATM   56  H   UNL     1     -12.336   8.274  -0.400  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.666   6.704   0.527  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.510   3.889  -2.985  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.290   2.769  -2.413  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.514   3.368  -1.313  1.00  0.00           H  
CONECT    1    2    5    9   35                                       
CONECT    2    1    3   36   37                                       
CONECT    3    2    4    8    8                                       
CONECT    4    3    5   38                                            
CONECT    5    1    4    6    6                                       
CONECT    5    7    7                                                 
CONECT    6    5    5                                                 
CONECT    7    5    5                                                 
CONECT    8    3    3                                                 
CONECT    9    1   10   14   14                                       
CONECT   10    9   11   11   39                                       
CONECT   11   10   10   12   40                                       
CONECT   12   11   13   13   15                                       
CONECT   13   12   12   14   41                                       
CONECT   14    9    9   13   42                                       
CONECT   15   12   16   43   44                                       
CONECT   16   15   17   20   45                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   46   47                                            
CONECT   20   16   21   48                                            
CONECT   21   20   22   23   23                                       
CONECT   22   21   24   25   49                                       
CONECT   23   21   21                                                 
CONECT   24   22   32   50                                            
CONECT   25   22   26   51   52                                       
CONECT   26   25   27   31   31                                       
CONECT   27   26   28   28   53                                       
CONECT   28   27   27   29   54                                       
CONECT   29   28   30   30   55                                       
CONECT   30   29   29   31   56                                       
CONECT   31   26   26   30   57                                       
CONECT   32   24   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   58   59   60                                       
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   34                                                      
CONECT   59   34                                                      
CONECT   60   34                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
