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 IO2F2 (exp) |
2 | COMPND IO2F2 (exp) |
| 3 |
|
3 | Gerard Dupuis |
| 4 | REMARK : |
4 | REMARK : cree a partir des longueurs de liaison exp. |
| 5 | 5 | ||
| 6 | 6 | ||
| 7 | ATOM 1 I 0.000 0.000 0.000 |
7 | ATOM 1 I 0.000 0.000 0.000 |
| 8 | ATOM 2 O 1,240 1,478 0,000 |
8 | ATOM 2 O 1,240 1,478 0,000 |
| 9 | ATOM 3 O 1,240 -1.478 0.000 |
9 | ATOM 3 O 1,240 -1.478 0.000 |
| 10 | ATOM 4 F 0.000 0,000 2.000 |
10 | ATOM 4 F 0.000 0,000 2.000 |
| 11 | ATOM 5 F 0,000 0,000 -2,000 |
11 | ATOM 5 F 0,000 0,000 -2,000 |
| 12 | 12 | ||
| 13 | 13 | ||
| 14 | CONECT 1 2 2 |
14 | CONECT 1 2 2 |
| 15 | CONECT 1 3 3 |
15 | CONECT 1 3 3 |