COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.137   0.953   1.735  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.808   0.696   0.263  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.613   1.703  -0.063  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.161   1.597  -0.227  1.00  0.00           C  
HETATM    5  C   UNL     1       0.691   2.652  -0.397  1.00  0.00           C  
HETATM    6  C   UNL     1       4.454   0.676  -1.635  1.00  0.00           C  
HETATM    7  C   UNL     1       5.694   0.069  -1.706  1.00  0.00           C  
HETATM    8  C   UNL     1       3.591   0.346  -0.586  1.00  0.00           C  
HETATM    9  C   UNL     1       2.259   0.967  -0.470  1.00  0.00           C  
HETATM   10  C   UNL     1       2.009   2.309  -0.530  1.00  0.00           C  
HETATM   11  S   UNL     1       0.752   0.094  -0.227  1.00  0.00           S  
HETATM   12  O   UNL     1      -2.149   2.796  -0.072  1.00  0.00           O  
HETATM   13  N   UNL     1      -3.407   2.139   2.200  1.00  0.00           N  
HETATM   14  C   UNL     1       4.372  -2.055   2.047  1.00  0.00           C  
HETATM   15  C   UNL     1       3.458  -1.199   1.557  1.00  0.00           C  
HETATM   16  C   UNL     1       4.037  -0.602   0.356  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.459  -0.589  -0.181  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.356   0.590   0.099  1.00  0.00           N  
HETATM   19  C   UNL     1      -5.642  -0.553  -0.895  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.239  -1.732  -1.302  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.652  -2.945  -0.996  1.00  0.00           C  
HETATM   22  N   UNL     1       6.086  -0.814  -0.810  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.469  -2.981  -0.282  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.870  -1.802   0.121  1.00  0.00           C  
HETATM   25  C   UNL     1       5.315  -1.172   0.209  1.00  0.00           C  
HETATM   26  N   UNL     1       5.486  -2.050   1.253  1.00  0.00           N  
HETATM   27  H   UNL     1      -5.209   1.120   1.844  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.842   0.088   2.329  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.183   1.521  -0.343  1.00  0.00           H  
HETATM   30  H   UNL     1       0.351   3.677  -0.426  1.00  0.00           H  
HETATM   31  H   UNL     1       4.157   1.401  -2.379  1.00  0.00           H  
HETATM   32  H   UNL     1       6.359   0.326  -2.517  1.00  0.00           H  
HETATM   33  H   UNL     1       2.790   3.041  -0.671  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.608   2.330   3.171  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.415   2.035   2.050  1.00  0.00           H  
HETATM   36  H   UNL     1       4.245  -2.656   2.935  1.00  0.00           H  
HETATM   37  H   UNL     1       2.483  -0.993   1.972  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.929  -0.281   0.106  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.100   0.395  -1.135  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.163  -1.704  -1.860  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.119  -3.866  -1.313  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.011  -3.929  -0.043  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.943  -1.829   0.675  1.00  0.00           H  
HETATM   44  H   UNL     1       6.280  -2.586   1.404  1.00  0.00           H  
CONECT    1    2   13   27   28                                       
CONECT    2    1   17   18   29                                       
CONECT    3    4   12   12   18                                       
CONECT    4    3    5    5   11                                       
CONECT    5    4    4   10   30                                       
CONECT    6    7    7    8   31                                       
CONECT    7    6    6   22   32                                       
CONECT    8    6    9   16   16                                       
CONECT    9    8   10   10   11                                       
CONECT   10    5    9    9   33                                       
CONECT   11    4    9                                                 
CONECT   12    3    3                                                 
CONECT   13    1   34   35                                            
CONECT   14   15   15   26   36                                       
CONECT   15   14   14   16   37                                       
CONECT   16    8    8   15   25                                       
CONECT   17    2   19   19   24                                       
CONECT   18    2    3   38                                            
CONECT   19   17   17   20   39                                       
CONECT   20   19   21   21   40                                       
CONECT   21   20   20   23   41                                       
CONECT   22    7   25   25                                            
CONECT   23   21   24   24   42                                       
CONECT   24   17   23   23   43                                       
CONECT   25   16   22   22   26                                       
CONECT   26   14   25   44                                            
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
