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 IOF5(estim) |
2 | COMPND IOF5(estim) |
| 3 |
|
3 | Gerard Dupuis |
| 4 | REMARK : |
4 | REMARK : cree a partir des longueurs de liaison estimees. |
| 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 F -1,414 1,414 0,000 |
8 | ATOM 2 F -1,414 1,414 0,000 |
| 9 | ATOM 3 F -1,414 -1,414 0,000 |
9 | ATOM 3 F -1,414 -1,414 0,000 |
| 10 | ATOM 4 F 1,414 1.414 0.000 |
10 | ATOM 4 F 1,414 1.414 0.000 |
| 11 | ATOM 5 F 1,414 -1,414 0,000 |
11 | ATOM 5 F 1,414 -1,414 0,000 |
| 12 | ATOM 6 F 0,000 0,000 -2,000 |
12 | ATOM 6 F 0,000 0,000 -2,000 |
| 13 | ATOM 7 O 0,000 0,000 1,930 |
13 | ATOM 7 O 0,000 0,000 1,930 |
| 14 | 14 | ||
| 15 | CONECT 1 2 |
15 | CONECT 1 2 |
| 16 | CONECT 1 3 |
16 | CONECT 1 3 |
| 17 | CONECT 1 4 |
17 | CONECT 1 4 |
| 18 | CONECT 1 5 |
18 | CONECT 1 5 |
| 19 | CONECT 1 6 |
19 | CONECT 1 6 |
| 20 | CONECT 1 7 7 |
20 | CONECT 1 7 7 |
| 21 | 21 | ||