COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.132  -0.956   6.973  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.476  -0.026   6.010  1.00  0.00           C  
HETATM    3  C   UNL     1       0.506   0.566   5.240  1.00  0.00           C  
HETATM    4  C   UNL     1       1.834   0.237   5.440  1.00  0.00           C  
HETATM    5  C   UNL     1       2.178  -0.691   6.403  1.00  0.00           C  
HETATM    6  C   UNL     1       1.194  -1.289   7.170  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.923   0.336   5.795  1.00  0.00           C  
HETATM    8  C   UNL     1       0.131   1.580   4.189  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.106   0.878   2.877  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.456   1.589   1.787  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.573   0.953   0.546  1.00  0.00           C  
HETATM   12  O   UNL     1       0.015  -0.326   2.802  1.00  0.00           O  
HETATM   13  C   UNL     1       0.276  -0.094   0.217  1.00  0.00           C  
HETATM   14  C   UNL     1       0.157  -0.719  -1.008  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.805  -0.302  -1.908  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.653   0.741  -1.584  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.543   1.366  -0.357  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.701   1.192  -2.568  1.00  0.00           C  
HETATM   19  C   UNL     1       1.079  -1.857  -1.365  1.00  0.00           C  
HETATM   20  S   UNL     1      -0.953  -1.102  -3.471  1.00  0.00           S  
HETATM   21  N   UNL     1      -0.073  -0.222  -4.563  1.00  0.00           N  
HETATM   22  C   UNL     1       1.365  -0.031  -4.361  1.00  0.00           C  
HETATM   23  C   UNL     1       1.924   0.799  -5.487  1.00  0.00           C  
HETATM   24  O   UNL     1       3.232   1.103  -5.511  1.00  0.00           O  
HETATM   25  O   UNL     1       1.196   1.192  -6.367  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.272  -2.342  -3.336  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.312  -0.948  -3.856  1.00  0.00           O  
HETATM   28  H   UNL     1      -0.900  -1.423   7.572  1.00  0.00           H  
HETATM   29  H   UNL     1       2.602   0.704   4.841  1.00  0.00           H  
HETATM   30  H   UNL     1       3.215  -0.951   6.558  1.00  0.00           H  
HETATM   31  H   UNL     1       1.463  -2.015   7.923  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.186   1.175   6.439  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.077   0.615   4.753  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.552  -0.520   6.039  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.777   2.099   4.494  1.00  0.00           H  
HETATM   36  H   UNL     1       0.940   2.300   4.074  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.626   2.541   1.862  1.00  0.00           H  
HETATM   38  H   UNL     1       1.028  -0.420   0.920  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.206   2.181  -0.105  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.581   0.555  -2.480  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.977   2.225  -2.357  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.302   1.123  -3.581  1.00  0.00           H  
HETATM   43  H   UNL     1       0.583  -2.805  -1.155  1.00  0.00           H  
HETATM   44  H   UNL     1       1.328  -1.804  -2.424  1.00  0.00           H  
HETATM   45  H   UNL     1       1.991  -1.785  -0.773  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.510   0.167  -5.336  1.00  0.00           H  
HETATM   47  H   UNL     1       1.534   0.479  -3.413  1.00  0.00           H  
HETATM   48  H   UNL     1       1.861  -1.001  -4.344  1.00  0.00           H  
HETATM   49  H   UNL     1       3.591   1.636  -6.233  1.00  0.00           H  
CONECT    1    2    2    6   28                                       
CONECT    2    1    1    3    7                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   29                                       
CONECT    5    4    6    6   30                                       
CONECT    6    1    5    5   31                                       
CONECT    7    2   32   33   34                                       
CONECT    8    3    9   35   36                                       
CONECT    9    8   10   12   12                                       
CONECT   10    9   11   37                                            
CONECT   11   10   13   13   17                                       
CONECT   12    9    9                                                 
CONECT   13   11   11   14   38                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   20                                       
CONECT   16   15   17   17   18                                       
CONECT   17   11   16   16   39                                       
CONECT   18   16   40   41   42                                       
CONECT   19   14   43   44   45                                       
CONECT   20   15   21   26   26                                       
CONECT   20   27   27                                                 
CONECT   21   20   22   46                                            
CONECT   22   21   23   47   48                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23   49                                                 
CONECT   25   23   23                                                 
CONECT   26   20   20                                                 
CONECT   27   20   20                                                 
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
