COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.504   0.317   0.904  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.949   0.789   0.733  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.853  -0.424   0.496  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.358  -1.186  -0.737  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.901  -1.602  -0.522  1.00  0.00           C  
HETATM    6  N   UNL     1       1.732  -2.281   0.091  1.00  0.00           N  
HETATM    7  C   UNL     1       1.609  -0.905   0.028  1.00  0.00           C  
HETATM    8  N   UNL     1       0.414  -0.339  -0.043  1.00  0.00           N  
HETATM    9  C   UNL     1       0.282   0.981  -0.103  1.00  0.00           C  
HETATM   10  S   UNL     1      -1.335   1.674  -0.197  1.00  0.00           S  
HETATM   11  C   UNL     1      -2.328   0.161  -0.174  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.812   0.524  -0.249  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.652  -0.755  -0.229  1.00  0.00           C  
HETATM   14  N   UNL     1      -6.077  -0.406  -0.301  1.00  0.00           N  
HETATM   15  N   UNL     1       1.326   1.789  -0.095  1.00  0.00           N  
HETATM   16  C   UNL     1       2.573   1.301  -0.024  1.00  0.00           C  
HETATM   17  C   UNL     1       2.761  -0.075   0.045  1.00  0.00           C  
HETATM   18  C   UNL     1       4.172  -0.451   0.116  1.00  0.00           C  
HETATM   19  C   UNL     1       5.005   0.588   0.105  1.00  0.00           C  
HETATM   20  C   UNL     1       6.516   0.493   0.186  1.00  0.00           C  
HETATM   21  C   UNL     1       7.033  -0.542  -0.810  1.00  0.00           C  
HETATM   22  C   UNL     1       7.090  -1.907  -0.130  1.00  0.00           C  
HETATM   23  C   UNL     1       5.952  -2.023   0.883  1.00  0.00           C  
HETATM   24  C   UNL     1       4.613  -1.905   0.191  1.00  0.00           C  
HETATM   25  S   UNL     1       4.129   2.110   0.013  1.00  0.00           S  
HETATM   26  H   UNL     1      -5.855   1.179   1.059  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.438  -0.346   1.767  1.00  0.00           H  
HETATM   28  H   UNL     1      -8.270   1.312   1.634  1.00  0.00           H  
HETATM   29  H   UNL     1      -8.012   1.463  -0.122  1.00  0.00           H  
HETATM   30  H   UNL     1      -8.820  -1.079   1.367  1.00  0.00           H  
HETATM   31  H   UNL     1      -9.877  -0.089   0.331  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.972  -2.075  -0.886  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.429  -0.544  -1.614  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.833  -2.255   0.347  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.541  -2.132  -1.404  1.00  0.00           H  
HETATM   36  H   UNL     1       2.555  -2.707  -0.195  1.00  0.00           H  
HETATM   37  H   UNL     1       0.996  -2.819   0.422  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.063  -0.461  -1.029  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.134  -0.387   0.748  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.078   1.146   0.606  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.007   1.072  -1.171  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.386  -1.377  -1.084  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.458  -1.303   0.693  1.00  0.00           H  
HETATM   44  H   UNL     1       6.952   1.465  -0.044  1.00  0.00           H  
HETATM   45  H   UNL     1       6.806   0.197   1.194  1.00  0.00           H  
HETATM   46  H   UNL     1       6.362  -0.590  -1.668  1.00  0.00           H  
HETATM   47  H   UNL     1       8.032  -0.260  -1.144  1.00  0.00           H  
HETATM   48  H   UNL     1       6.989  -2.691  -0.880  1.00  0.00           H  
HETATM   49  H   UNL     1       8.045  -2.017   0.384  1.00  0.00           H  
HETATM   50  H   UNL     1       6.011  -2.989   1.385  1.00  0.00           H  
HETATM   51  H   UNL     1       6.039  -1.225   1.620  1.00  0.00           H  
HETATM   52  H   UNL     1       3.864  -2.481   0.735  1.00  0.00           H  
HETATM   53  H   UNL     1       4.710  -2.306  -0.818  1.00  0.00           H  
CONECT    1   14    2   26   27                                       
CONECT    2    1    3   28   29                                       
CONECT    3    4    2   30   31                                       
CONECT    4    5    3   32   33                                       
CONECT    5   14    4   34   35                                       
CONECT    6    7   36   37                                            
CONECT    7   17    6    8    8                                       
CONECT    8    7    7    9                                            
CONECT    9   15   15    8   10                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   38   39                                       
CONECT   12   11   13   40   41                                       
CONECT   13   12   14   42   43                                       
CONECT   14   13    5    1                                            
CONECT   15   16    9    9                                            
CONECT   16   25   17   17   15                                       
CONECT   17   18   16   16    7                                       
CONECT   18   19   19   24   17                                       
CONECT   19   20   25   18   18                                       
CONECT   20   21   19   44   45                                       
CONECT   21   22   20   46   47                                       
CONECT   22   21   23   48   49                                       
CONECT   23   22   24   50   51                                       
CONECT   24   23   18   52   53                                       
CONECT   25   19   16                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
