Rev 20 | Show entire file | Ignore whitespace | Details | Blame | Last modification | View Log | RSS feed
Rev 20 | Rev 16843 | ||
---|---|---|---|
Line 1... | Line 1... | ||
1 | HEADER |
1 | HEADER |
2 | COMPND COH2 |
2 | COMPND COH2 |
3 | Gérard Dupuis |
3 | Gérard Dupuis |
4 | REMARK : créé à partir des longueurs de liaison exp. |
4 | REMARK : créé à partir des longueurs de liaison exp. |
5 | d(C-H) = 0,112 nm d(C-O) = 0,121 nm |
5 | d(C-H) = 0,112 nm d(C-O) = 0,121 nm |
6 | angle (HCH) = 116,5° |
6 | angle (HCH) = 116,5° |
7 | 7 | ||
8 | ATOM 1 C 0.000 0.000 0.000 |
8 | ATOM 1 C 0.000 0.000 0.000 |
9 | ATOM 2 O -1,210 0,000 0,000 |
9 | ATOM 2 O -1,210 0,000 0,000 |
10 | ATOM 3 H 0,589 0.952 0.000 |
10 | ATOM 3 H 0,589 0.952 0.000 |
11 | ATOM 4 H 0,589 -0.952 0.000 |
11 | ATOM 4 H 0,589 -0.952 0.000 |
12 | CONECT 1 2 |
12 | CONECT 1 2 |
13 | CONECT 2 1 |
13 | CONECT 2 1 |
14 | CONECT 1 3 |
14 | CONECT 1 3 |
15 | CONECT 1 4 |
15 | CONECT 1 4 |
16 | MASTER 0 0 0 0 0 0 0 0 3 0 0 0 |
16 | MASTER 0 0 0 0 0 0 0 0 3 0 0 0 |