COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.099  -0.883  -2.038  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.316  -0.185  -2.649  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.510  -0.327  -1.700  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.142   0.267  -0.337  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.896   0.809  -0.088  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.901  -0.444   0.206  1.00  0.00           C  
HETATM    7  C   UNL     1       0.960   3.015   0.411  1.00  0.00           C  
HETATM    8  C   UNL     1       1.852   2.494  -0.717  1.00  0.00           C  
HETATM    9  C   UNL     1       2.790   1.447  -0.174  1.00  0.00           C  
HETATM   10  C   UNL     1       4.053   1.640   0.240  1.00  0.00           C  
HETATM   11  C   UNL     1       3.667  -0.549   0.541  1.00  0.00           C  
HETATM   12  C   UNL     1       2.497   0.026   0.011  1.00  0.00           C  
HETATM   13  C   UNL     1       1.384  -0.797  -0.217  1.00  0.00           C  
HETATM   14  C   UNL     1       2.602  -2.589   0.577  1.00  0.00           C  
HETATM   15  N   UNL     1       4.588   0.453   0.668  1.00  0.00           N  
HETATM   16  N   UNL     1       0.213  -0.278  -0.737  1.00  0.00           N  
HETATM   17  N   UNL     1       1.485  -2.090   0.080  1.00  0.00           N  
HETATM   18  N   UNL     1       3.669  -1.855   0.806  1.00  0.00           N  
HETATM   19  O   UNL     1      -3.786  -1.352   0.938  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.268   0.803   1.986  1.00  0.00           O  
HETATM   21  S   UNL     1      -3.524   0.040   0.815  1.00  0.00           S  
HETATM   22  H   UNL     1      -0.318  -1.942  -1.903  1.00  0.00           H  
HETATM   23  H   UNL     1       0.756  -0.771  -2.705  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.093   0.872  -2.797  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.557  -0.645  -3.607  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.367   0.206  -2.110  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.757  -1.382  -1.582  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.932   1.331  -0.449  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.041   0.293  -1.037  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.807   0.739   0.507  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.665   1.857  -0.276  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.628  -0.014   1.170  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.116  -1.506   0.331  1.00  0.00           H  
HETATM   34  H   UNL     1       0.382   2.190   0.827  1.00  0.00           H  
HETATM   35  H   UNL     1       1.581   3.454   1.192  1.00  0.00           H  
HETATM   36  H   UNL     1       0.282   3.772   0.018  1.00  0.00           H  
HETATM   37  H   UNL     1       1.231   2.055  -1.498  1.00  0.00           H  
HETATM   38  H   UNL     1       2.431   3.319  -1.134  1.00  0.00           H  
HETATM   39  H   UNL     1       4.569   2.589   0.236  1.00  0.00           H  
HETATM   40  H   UNL     1       2.641  -3.645   0.804  1.00  0.00           H  
HETATM   41  H   UNL     1       5.488   0.341   1.012  1.00  0.00           H  
CONECT    1    2   16   22   23                                       
CONECT    2    1    3   24   25                                       
CONECT    3    2    4   26   27                                       
CONECT    4    3    6   21   28                                       
CONECT    5   21   29   30   31                                       
CONECT    6    4   16   32   33                                       
CONECT    7    8   34   35   36                                       
CONECT    8    7    9   37   38                                       
CONECT    9    8   10   10   12                                       
CONECT   10    9    9   15   39                                       
CONECT   11   12   12   15   18                                       
CONECT   12    9   11   11   13                                       
CONECT   13   12   16   17   17                                       
CONECT   14   17   18   18   40                                       
CONECT   15   10   11   41                                            
CONECT   16    1    6   13                                            
CONECT   17   13   13   14                                            
CONECT   18   11   14   14                                            
CONECT   19   21   21                                                 
CONECT   20   21   21                                                 
CONECT   21    4    5   19   19                                       
CONECT   21   20   20                                                 
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
