COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.637   0.805  -1.598  1.00  0.00           C  
HETATM    2  C   UNL     1       7.429  -0.321  -1.475  1.00  0.00           C  
HETATM    3  C   UNL     1       7.819  -0.758  -0.222  1.00  0.00           C  
HETATM    4  I   UNL     1       9.020  -2.465  -0.036  1.00  0.00           I  
HETATM    5  C   UNL     1       7.416  -0.069   0.907  1.00  0.00           C  
HETATM    6  C   UNL     1       6.624   1.057   0.783  1.00  0.00           C  
HETATM    7  C   UNL     1       6.239   1.497  -0.470  1.00  0.00           C  
HETATM    8  S   UNL     1       5.229   2.932  -0.627  1.00  0.00           S  
HETATM    9  O   UNL     1       5.443   3.704   0.547  1.00  0.00           O  
HETATM   10  O   UNL     1       5.448   3.435  -1.938  1.00  0.00           O  
HETATM   11  N   UNL     1       3.652   2.430  -0.576  1.00  0.00           N  
HETATM   12  C   UNL     1       3.115   1.824   0.645  1.00  0.00           C  
HETATM   13  C   UNL     1       1.610   1.796   0.573  1.00  0.00           C  
HETATM   14  C   UNL     1       0.839   0.764   0.158  1.00  0.00           C  
HETATM   15  N   UNL     1       0.774   2.784   0.911  1.00  0.00           N  
HETATM   16  N   UNL     1      -0.435   2.391   0.714  1.00  0.00           N  
HETATM   17  N   UNL     1      -0.443   1.186   0.263  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.634   0.404  -0.076  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.560   0.359   1.112  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.255   0.925   2.140  1.00  0.00           O  
HETATM   21  N   UNL     1      -3.727  -0.310   1.032  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.108  -1.005  -0.206  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.499  -0.525  -0.633  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.641  -0.362   2.181  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.027   0.112   1.732  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.480  -0.720   0.525  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.856  -0.280   0.097  1.00  0.00           C  
HETATM   28  N   UNL     1      -8.934  -1.023   0.063  1.00  0.00           N  
HETATM   29  O   UNL     1      -8.206   0.943  -0.314  1.00  0.00           O  
HETATM   30  N   UNL     1      -9.388   0.968  -0.586  1.00  0.00           N  
HETATM   31  C   UNL     1      -9.922  -0.211  -0.382  1.00  0.00           C  
HETATM   32  C   UNL     1     -11.335  -0.583  -0.593  1.00  0.00           C  
HETATM   33  C   UNL     1     -12.300   0.245  -1.043  1.00  0.00           C  
HETATM   34  C   UNL     1     -13.546  -0.331  -1.160  1.00  0.00           C  
HETATM   35  C   UNL     1     -13.610  -1.620  -0.810  1.00  0.00           C  
HETATM   36  S   UNL     1     -12.020  -2.177  -0.305  1.00  0.00           S  
HETATM   37  H   UNL     1       6.333   1.147  -2.576  1.00  0.00           H  
HETATM   38  H   UNL     1       7.744  -0.859  -2.357  1.00  0.00           H  
HETATM   39  H   UNL     1       7.720  -0.411   1.885  1.00  0.00           H  
HETATM   40  H   UNL     1       6.309   1.595   1.665  1.00  0.00           H  
HETATM   41  H   UNL     1       3.083   2.538  -1.354  1.00  0.00           H  
HETATM   42  H   UNL     1       3.494   0.807   0.742  1.00  0.00           H  
HETATM   43  H   UNL     1       3.427   2.411   1.509  1.00  0.00           H  
HETATM   44  H   UNL     1       1.178  -0.202  -0.186  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.146   0.868  -0.919  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.339  -0.610  -0.345  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.386  -0.778  -0.989  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.132  -2.080  -0.028  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.453   0.531  -0.897  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.834  -1.102  -1.495  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.707  -1.386   2.549  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.270   0.289   2.973  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.736  -0.013   2.550  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.977   1.164   1.451  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.506  -1.773   0.805  1.00  0.00           H  
HETATM   56  H   UNL     1     -12.110   1.279  -1.292  1.00  0.00           H  
HETATM   57  H   UNL     1     -14.409   0.219  -1.507  1.00  0.00           H  
HETATM   58  H   UNL     1     -14.502  -2.228  -0.837  1.00  0.00           H  
CONECT    1    7    7    2   37                                       
CONECT    2    1    3    3   38                                       
CONECT    3    2    2    5    4                                       
CONECT    4    3                                                      
CONECT    5    3    6    6   39                                       
CONECT    6    5    5    7   40                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7   10   10    9                                       
CONECT    8    9   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   12   41                                            
CONECT   12   11   13   42   43                                       
CONECT   13   12   15   14   14                                       
CONECT   14   13   13   17   44                                       
CONECT   15   13   16   16                                            
CONECT   16   15   15   17                                            
CONECT   17   14   16   18                                            
CONECT   18   17   19   45   46                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   24                                            
CONECT   22   21   23   47   48                                       
CONECT   23   22   26   49   50                                       
CONECT   24   21   25   51   52                                       
CONECT   25   24   26   53   54                                       
CONECT   26   23   25   27   55                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27   31                                            
CONECT   29   27   30                                                 
CONECT   30   29   31   31                                            
CONECT   31   28   30   30   32                                       
CONECT   32   31   33   33   36                                       
CONECT   33   32   32   34   56                                       
CONECT   34   33   35   35   57                                       
CONECT   35   34   34   36   58                                       
CONECT   36   32   35                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   33                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
