COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       7.368   3.485  -0.459  1.00  0.00           C  
HETATM    2  C   UNL     1       7.660  -0.020   0.369  1.00  0.00           C  
HETATM    3  C   UNL     1       6.908   1.069   0.046  1.00  0.00           C  
HETATM    4  C   UNL     1       4.781  -0.057   0.089  1.00  0.00           C  
HETATM    5  C   UNL     1       4.735  -2.304   0.608  1.00  0.00           C  
HETATM    6  C   UNL     1       3.360  -2.303   0.470  1.00  0.00           C  
HETATM    7  C   UNL     1       2.725  -1.103   0.126  1.00  0.00           C  
HETATM    8  C   UNL     1       1.258  -1.049  -0.033  1.00  0.00           C  
HETATM    9  C   UNL     1       0.561   0.047  -0.359  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.828  -0.159  -0.450  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.143   0.722   0.399  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.084   1.821   1.342  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.507   2.295   1.031  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.789   0.491  -0.519  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.369  -0.001  -0.224  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.702  -1.522  -0.321  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.193  -1.452  -0.186  1.00  0.00           C  
HETATM   18  N   UNL     1       7.751   2.115  -0.109  1.00  0.00           N  
HETATM   19  N   UNL     1       9.054   1.658   0.126  1.00  0.00           N  
HETATM   20  C   UNL     1       8.998   0.383   0.416  1.00  0.00           C  
HETATM   21  N   UNL     1       5.523   1.098  -0.100  1.00  0.00           N  
HETATM   22  N   UNL     1       5.407  -1.180   0.413  1.00  0.00           N  
HETATM   23  N   UNL     1       3.467  -0.010  -0.054  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.055   0.617  -0.754  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.076   1.801  -1.033  1.00  0.00           O  
HETATM   26  N   UNL     1      -3.138  -0.170  -0.680  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.521   0.250  -0.917  1.00  0.00           C  
HETATM   28  N   UNL     1      -6.530   1.143   0.161  1.00  0.00           N  
HETATM   29  O   UNL     1      -9.299   1.175   0.628  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.331  -1.945   1.008  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.086  -2.510  -1.424  1.00  0.00           C  
HETATM   32  S   UNL     1       0.173  -2.413   0.169  1.00  0.00           S  
HETATM   33  H   UNL     1       7.174   4.052   0.451  1.00  0.00           H  
HETATM   34  H   UNL     1       8.178   3.958  -1.015  1.00  0.00           H  
HETATM   35  H   UNL     1       6.469   3.465  -1.074  1.00  0.00           H  
HETATM   36  H   UNL     1       7.289  -1.016   0.559  1.00  0.00           H  
HETATM   37  H   UNL     1       5.256  -3.212   0.872  1.00  0.00           H  
HETATM   38  H   UNL     1       2.788  -3.207   0.623  1.00  0.00           H  
HETATM   39  H   UNL     1       1.025   1.006  -0.535  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.130  -0.095   1.121  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.570   1.562   0.791  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.462   2.680   1.594  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.107   1.128   2.183  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.942   2.747   1.922  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.478   3.029   0.226  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.768   1.173  -1.370  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.428  -0.361  -0.751  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.397  -0.724   0.591  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.955  -0.473  -1.115  1.00  0.00           H  
HETATM   50  H   UNL     1       9.841  -0.250   0.647  1.00  0.00           H  
HETATM   51  H   UNL     1       5.077   1.928  -0.334  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.094  -0.591  -1.309  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.534   1.066  -1.638  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.054  -1.232   1.785  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.416  -1.967   0.906  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.971  -2.938   1.281  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.726  -3.505  -1.163  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.171  -2.533  -1.529  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.636  -2.197  -2.366  1.00  0.00           H  
CONECT    1   18   33   34   35                                       
CONECT    2   20    3    3   36                                       
CONECT    3    2    2   18   21                                       
CONECT    4   21   23   23   22                                       
CONECT    5   22   22    6   37                                       
CONECT    6    7    7    5   38                                       
CONECT    7   23    8    6    6                                       
CONECT    8   32    7    9    9                                       
CONECT    9    8    8   10   39                                       
CONECT   10   17   17    9   24                                       
CONECT   11   27   28   40   41                                       
CONECT   12   13   28   42   43                                       
CONECT   13   12   29   44   45                                       
CONECT   14   29   15   46   47                                       
CONECT   15   28   14   48   49                                       
CONECT   16   30   17   31   26                                       
CONECT   17   32   16   10   10                                       
CONECT   18   19    3    1                                            
CONECT   19   20   20   18                                            
CONECT   20   19   19    2   50                                       
CONECT   21    3    4   51                                            
CONECT   22    4    5    5                                            
CONECT   23    4    4    7                                            
CONECT   24   26   10   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   16   27   24                                            
CONECT   27   26   11   52   53                                       
CONECT   28   12   11   15                                            
CONECT   29   13   14                                                 
CONECT   30   16   54   55   56                                       
CONECT   31   16   57   58   59                                       
CONECT   32   17    8                                                 
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
