COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -9.722  -0.414  -0.125  1.00  0.00           N  
HETATM    2  N   UNL     1       8.679  -1.976  -0.609  1.00  0.00           N  
HETATM    3  C   UNL     1       1.152   1.247  -1.175  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.128   1.300  -1.565  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.942   1.098  -0.361  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.372   1.074  -0.287  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.545   1.055  -0.226  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.610   0.827   1.077  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.117   1.189  -1.226  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.245   0.961   0.072  1.00  0.00           C  
HETATM   11  C   UNL     1     -11.630  -1.887  -0.553  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.069   0.937   0.671  1.00  0.00           C  
HETATM   13  C   UNL     1       2.492   0.970   0.588  1.00  0.00           C  
HETATM   14  C   UNL     1       7.373   0.706  -1.564  1.00  0.00           C  
HETATM   15  C   UNL     1       6.663  -0.971   2.217  1.00  0.00           C  
HETATM   16  O   UNL     1       6.999   1.518   1.413  1.00  0.00           O  
HETATM   17  S   UNL     1       7.492   0.217   1.124  1.00  0.00           S  
HETATM   18  O   UNL     1       8.892  -0.022   1.174  1.00  0.00           O  
HETATM   19  C   UNL     1       6.878  -0.284  -0.508  1.00  0.00           C  
HETATM   20  C   UNL     1       7.387  -1.664  -0.834  1.00  0.00           C  
HETATM   21  O   UNL     1       6.635  -2.494  -1.300  1.00  0.00           O  
HETATM   22  O   UNL     1       9.158  -3.273  -0.916  1.00  0.00           O  
HETATM   23  C   UNL     1       5.348  -0.295  -0.496  1.00  0.00           C  
HETATM   24  C   UNL     1       4.829   1.132  -0.304  1.00  0.00           C  
HETATM   25  N   UNL     1       3.369   1.140  -0.415  1.00  0.00           N  
HETATM   26  O   UNL     1       2.820   0.781   1.742  1.00  0.00           O  
HETATM   27  N   UNL     1       1.210   1.027   0.178  1.00  0.00           N  
HETATM   28  C   UNL     1       2.586   1.340  -1.646  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.975   1.031  -0.151  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.741   1.213  -1.306  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.740   0.986  -0.007  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.988   0.806   1.141  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.306  -1.281   0.988  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.772  -2.713   0.714  1.00  0.00           C  
HETATM   35  O   UNL     1     -11.189  -2.720   0.524  1.00  0.00           O  
HETATM   36  C   UNL     1     -11.183  -0.446  -0.292  1.00  0.00           C  
HETATM   37  H   UNL     1       9.281  -1.312  -0.237  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.491   1.461  -2.570  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.024   0.681   1.972  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.711   1.329  -2.117  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.660   1.604  -0.704  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.564   1.320   1.050  1.00  0.00           H  
HETATM   43  H   UNL     1     -11.194  -2.240  -1.487  1.00  0.00           H  
HETATM   44  H   UNL     1     -12.717  -1.925  -0.621  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.336   0.766   1.704  1.00  0.00           H  
HETATM   46  H   UNL     1       8.463   0.714  -1.573  1.00  0.00           H  
HETATM   47  H   UNL     1       7.004   0.405  -2.545  1.00  0.00           H  
HETATM   48  H   UNL     1       7.004   1.704  -1.328  1.00  0.00           H  
HETATM   49  H   UNL     1       5.583  -0.865   2.115  1.00  0.00           H  
HETATM   50  H   UNL     1       6.957  -1.984   1.942  1.00  0.00           H  
HETATM   51  H   UNL     1       6.952  -0.776   3.250  1.00  0.00           H  
HETATM   52  H   UNL     1      10.096  -3.402  -0.720  1.00  0.00           H  
HETATM   53  H   UNL     1       4.980  -0.691  -1.442  1.00  0.00           H  
HETATM   54  H   UNL     1       4.996  -0.923   0.322  1.00  0.00           H  
HETATM   55  H   UNL     1       5.121   1.495   0.682  1.00  0.00           H  
HETATM   56  H   UNL     1       5.255   1.780  -1.070  1.00  0.00           H  
HETATM   57  H   UNL     1       2.799   0.551  -2.368  1.00  0.00           H  
HETATM   58  H   UNL     1       2.792   2.320  -2.076  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.256   1.371  -2.258  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.481   0.648   2.089  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.220  -1.262   1.077  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.754  -0.923   1.915  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.282  -3.090  -0.184  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.516  -3.348   1.562  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.661  -0.075   0.615  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.466   0.181  -1.137  1.00  0.00           H  
CONECT    1   10   33   36                                            
CONECT    2   22   20   37                                            
CONECT    3   27   28    4    4                                       
CONECT    4    3    3    5   38                                       
CONECT    5   12   12    4    6                                       
CONECT    6    5    7    7    7                                       
CONECT    7    6    6    6   29                                       
CONECT    8   29   29   32   39                                       
CONECT    9   30   30   31   40                                       
CONECT   10   31    1   41   42                                       
CONECT   11   36   35   43   44                                       
CONECT   12   27    5    5   45                                       
CONECT   13   26   26   25   27                                       
CONECT   14   19   46   47   48                                       
CONECT   15   17   49   50   51                                       
CONECT   16   17   17                                                 
CONECT   17   18   18   16   16                                       
CONECT   17   19   15                                                 
CONECT   18   17   17                                                 
CONECT   19   14   17   20   23                                       
CONECT   20   19    2   21   21                                       
CONECT   21   20   20                                                 
CONECT   22    2   52                                                 
CONECT   23   19   24   53   54                                       
CONECT   24   23   25   55   56                                       
CONECT   25   24   13   28                                            
CONECT   26   13   13                                                 
CONECT   27   13   12    3                                            
CONECT   28   25    3   57   58                                       
CONECT   29    7    8    8   30                                       
CONECT   30   29    9    9   59                                       
CONECT   31   32   32    9   10                                       
CONECT   32    8   31   31   60                                       
CONECT   33    1   34   61   62                                       
CONECT   34   33   35   63   64                                       
CONECT   35   34   11                                                 
CONECT   36    1   11   65   66                                       
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   30                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
