REMARK
REMARK TITLE MOLECULE
REMARK CHARGE-VALUE 0
REMARK MULTIPLICITY-VALUE 1
REMARK
REMARK REORIENT 1 5 6 | 6 5 1
REMARK
ATOM      1 CT1  ACT     1      1.288  -0.608   0.000          C1
ATOM      2  H1  ACT     1      1.336  -1.250  -0.874          H11
ATOM      3  H1  ACT     1      1.336  -1.250   0.874          H12
ATOM      4  H1  ACT     1      2.134   0.066  -0.000          H13
ATOM      5  C2  ACT     1      0.000   0.188   0.000          C2
ATOM      6  O3  ACT     1      0.000   1.380   0.000          O3
ATOM      7 CT1  ACT     1     -1.288  -0.608   0.000          C4
ATOM      8  H1  ACT     1     -1.336  -1.250   0.874          H41
ATOM      9  H1  ACT     1     -1.336  -1.250  -0.874          H42
ATOM     10  H1  ACT     1     -2.134   0.066   0.000          H43
CONECT    1    2    3    4    5  
CONECT    2    1  
CONECT    3    1  
CONECT    4    1  
CONECT    5    1    6    7  
CONECT    6    5  
CONECT    7    5    8    9   10  
CONECT    8    7  
CONECT    9    7  
CONECT   10    7  
END