Subversion Repositories wimsdev

Rev

Rev 20 | Blame | Compare with Previous | Last modification | View Log | RSS feed

HEADER
COMPND    COH2
Gérard Dupuis
REMARK : créé à partir des longueurs de liaison exp.
d(C-H) = 0,112 nm  d(C-O) = 0,121 nm
angle (HCH) = 116,5°

ATOM      1  C                 0.000   0.000   0.000
ATOM      2  O                -1,210   0,000   0,000
ATOM      3  H                 0,589   0.952   0.000
ATOM      4  H                 0,589  -0.952   0.000
CONECT    1    2
CONECT    2    1
CONECT    1    3
CONECT    1    4
MASTER        0    0    0    0    0    0    0    0    3    0    0    0
END