COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.208   0.118   0.102  1.00  0.00           O  
HETATM    2  S   UNL     1      -6.216   0.634  -0.775  1.00  0.00           S  
HETATM    3  O   UNL     1      -6.011   0.221  -2.119  1.00  0.00           O  
HETATM    4  N   UNL     1      -6.479   2.268  -0.841  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.676   0.381   0.044  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.642   0.234   1.418  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.437   0.035   2.063  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.258  -0.016   1.329  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.296   0.138  -0.051  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.505   0.331  -0.690  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.037  -0.217   1.979  1.00  0.00           N  
HETATM   12  C   UNL     1       0.112  -0.417   1.242  1.00  0.00           C  
HETATM   13  N   UNL     1       0.194  -1.453   0.352  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.698  -2.463  -0.031  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.089  -3.192  -0.933  1.00  0.00           C  
HETATM   16  C   UNL     1       1.333  -1.647  -0.377  1.00  0.00           C  
HETATM   17  N   UNL     1       1.130  -2.711  -1.147  1.00  0.00           N  
HETATM   18  N   UNL     1       2.379  -0.825  -0.232  1.00  0.00           N  
HETATM   19  C   UNL     1       2.337   0.185   0.623  1.00  0.00           C  
HETATM   20  C   UNL     1       1.185   0.416   1.388  1.00  0.00           C  
HETATM   21  N   UNL     1       3.433   1.019   0.758  1.00  0.00           N  
HETATM   22  C   UNL     1       4.638   0.780  -0.040  1.00  0.00           C  
HETATM   23  C   UNL     1       5.413   2.090  -0.199  1.00  0.00           C  
HETATM   24  C   UNL     1       6.671   1.841  -1.032  1.00  0.00           C  
HETATM   25  C   UNL     1       7.554   0.809  -0.326  1.00  0.00           C  
HETATM   26  N   UNL     1       8.762   0.570  -1.127  1.00  0.00           N  
HETATM   27  C   UNL     1       6.779  -0.501  -0.167  1.00  0.00           C  
HETATM   28  C   UNL     1       5.521  -0.251   0.666  1.00  0.00           C  
HETATM   29  H   UNL     1      -6.987   2.648  -1.575  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.125   2.845  -0.146  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.558   0.273   1.988  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.411  -0.081   3.137  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.381   0.099  -0.624  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.535   0.447  -1.763  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.997  -0.215   2.948  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.513  -4.054  -1.426  1.00  0.00           H  
HETATM   37  H   UNL     1       1.146   1.241   2.084  1.00  0.00           H  
HETATM   38  H   UNL     1       3.403   1.762   1.381  1.00  0.00           H  
HETATM   39  H   UNL     1       4.355   0.404  -1.023  1.00  0.00           H  
HETATM   40  H   UNL     1       5.696   2.466   0.784  1.00  0.00           H  
HETATM   41  H   UNL     1       4.784   2.825  -0.701  1.00  0.00           H  
HETATM   42  H   UNL     1       7.223   2.774  -1.145  1.00  0.00           H  
HETATM   43  H   UNL     1       6.388   1.465  -2.015  1.00  0.00           H  
HETATM   44  H   UNL     1       7.837   1.185   0.656  1.00  0.00           H  
HETATM   45  H   UNL     1       9.311  -0.113  -0.626  1.00  0.00           H  
HETATM   46  H   UNL     1       8.461   0.128  -1.982  1.00  0.00           H  
HETATM   47  H   UNL     1       6.496  -0.877  -1.150  1.00  0.00           H  
HETATM   48  H   UNL     1       7.408  -1.236   0.335  1.00  0.00           H  
HETATM   49  H   UNL     1       5.804   0.125   1.649  1.00  0.00           H  
HETATM   50  H   UNL     1       4.969  -1.185   0.779  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2   29   30                                            
CONECT    5    2    6    6   10                                       
CONECT    6    5    5    7   31                                       
CONECT    7    6    8    8   32                                       
CONECT    8    7    7    9   11                                       
CONECT    9    8   10   10   33                                       
CONECT   10    5    9    9   34                                       
CONECT   11    8   12   35                                            
CONECT   12   11   13   20   20                                       
CONECT   13   12   14   16                                            
CONECT   14   13   15   15                                            
CONECT   15   14   14   17   36                                       
CONECT   16   13   17   17   18                                       
CONECT   17   15   16   16                                            
CONECT   18   16   19   19                                            
CONECT   19   18   18   20   21                                       
CONECT   20   12   12   19   37                                       
CONECT   21   19   22   38                                            
CONECT   22   21   23   28   39                                       
CONECT   23   22   24   40   41                                       
CONECT   24   23   25   42   43                                       
CONECT   25   24   26   27   44                                       
CONECT   26   25   45   46                                            
CONECT   27   25   28   47   48                                       
CONECT   28   22   27   49   50                                       
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   15                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
