COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.280  -2.135   0.987  1.00  0.00           C  
HETATM    2  C   UNL     1       3.605  -0.441   0.133  1.00  0.00           C  
HETATM    3  C   UNL     1       4.948  -1.122  -0.139  1.00  0.00           C  
HETATM    4  C   UNL     1       7.350  -0.740  -0.710  1.00  0.00           C  
HETATM    5  C   UNL     1       9.715  -0.357  -1.402  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.401   1.191  -0.897  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.195   0.522  -0.972  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.699  -0.138   0.143  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.416  -0.125   1.330  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.622   0.544   1.400  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.114   1.202   0.288  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.427   1.938   0.369  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.550   1.005  -0.005  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.906   1.318  -0.049  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.134  -0.827  -0.680  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.062  -1.454   1.258  1.00  0.00           C  
HETATM   17  C   UNL     1       2.562  -1.487   0.428  1.00  0.00           C  
HETATM   18  C   UNL     1       6.007  -0.059  -0.439  1.00  0.00           C  
HETATM   19  C   UNL     1       8.410   0.322  -1.010  1.00  0.00           C  
HETATM   20  C   UNL     1      10.940  -0.143  -0.510  1.00  0.00           C  
HETATM   21  N   UNL     1      -9.740   0.348  -0.405  1.00  0.00           N  
HETATM   22  N   UNL     1       1.295  -1.118   0.699  1.00  0.00           N  
HETATM   23  O   UNL     1      -9.311   2.433   0.229  1.00  0.00           O  
HETATM   24  O   UNL     1      -9.650  -1.868  -1.026  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.512  -0.797   0.072  1.00  0.00           O  
HETATM   26  O   UNL     1       2.863  -2.662   0.422  1.00  0.00           O  
HETATM   27  S   UNL     1      -7.411  -0.495  -0.425  1.00  0.00           S  
HETATM   28  S   UNL     1      10.740   1.535   0.227  1.00  0.00           S  
HETATM   29  S   UNL     1       8.686   1.351   0.484  1.00  0.00           S  
HETATM   30  H   UNL     1       0.580  -2.710   1.863  1.00  0.00           H  
HETATM   31  H   UNL     1       0.183  -2.803   0.130  1.00  0.00           H  
HETATM   32  H   UNL     1       3.703   0.227   0.989  1.00  0.00           H  
HETATM   33  H   UNL     1       3.306   0.134  -0.743  1.00  0.00           H  
HETATM   34  H   UNL     1       5.248  -1.696   0.738  1.00  0.00           H  
HETATM   35  H   UNL     1       4.850  -1.789  -0.995  1.00  0.00           H  
HETATM   36  H   UNL     1       7.650  -1.315   0.166  1.00  0.00           H  
HETATM   37  H   UNL     1       7.253  -1.408  -1.567  1.00  0.00           H  
HETATM   38  H   UNL     1       9.527  -1.429  -1.454  1.00  0.00           H  
HETATM   39  H   UNL     1       9.974  -0.022  -2.406  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.786   1.709  -1.763  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.638   0.513  -1.897  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.032  -0.639   2.199  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.181   0.555   2.324  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.579   2.299   1.386  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.413   2.783  -0.319  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.796  -2.203   1.559  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.943  -0.722   2.057  1.00  0.00           H  
HETATM   48  H   UNL     1       5.708   0.516  -1.315  1.00  0.00           H  
HETATM   49  H   UNL     1       6.105   0.608   0.418  1.00  0.00           H  
HETATM   50  H   UNL     1       8.068   0.956  -1.829  1.00  0.00           H  
HETATM   51  H   UNL     1      10.969  -0.897   0.276  1.00  0.00           H  
HETATM   52  H   UNL     1      11.851  -0.186  -1.106  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.700   0.472  -0.463  1.00  0.00           H  
HETATM   54  H   UNL     1       1.054  -0.178   0.704  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.928  -0.416  -1.678  1.00  0.00           H  
CONECT    1   22   16   30   31                                       
CONECT    2    3   17   32   33                                       
CONECT    3    2   18   34   35                                       
CONECT    4   19   18   36   37                                       
CONECT    5   20   38   39   19                                       
CONECT    6    7   11   11   40                                       
CONECT    7    8    8    6   41                                       
CONECT    8   25    7    7    9                                       
CONECT    9    8   10   10   42                                       
CONECT   10    9    9   11   43                                       
CONECT   11    6    6   10   12                                       
CONECT   12   11   13   44   45                                       
CONECT   13   12   27   27   14                                       
CONECT   14   13   21   23   23                                       
CONECT   15   27   24   24   21                                       
CONECT   16    1   25   46   47                                       
CONECT   17    2   26   26   22                                       
CONECT   18    4    3   48   49                                       
CONECT   19   29    4   50    5                                       
CONECT   20   28    5   51   52                                       
CONECT   21   15   14   53                                            
CONECT   22   17    1   54                                            
CONECT   23   14   14                                                 
CONECT   24   15   15                                                 
CONECT   25   16    8                                                 
CONECT   26   17   17                                                 
CONECT   27   13   13   15   55                                       
CONECT   28   29   20                                                 
CONECT   29   28   19                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   27                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
