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| 1 | HEADER |
1 | HEADER |
| 2 | COMPND NSF (exp) |
2 | COMPND NSF (exp) |
| 3 | AUTHOR |
3 | AUTHOR Gerard Dupuis |
| 4 | 4 | ||
| 5 |
|
5 | cree a partir des valeurs experimentales. |
| 6 | 6 | ||
| 7 | ATOM 1 N 0.000 0.000 0.000 |
7 | ATOM 1 N 0.000 0.000 0.000 |
| 8 | ATOM 2 S 1.450 0.000 0.000 |
8 | ATOM 2 S 1.450 0.000 0.000 |
| 9 | ATOM 3 F 2.182 1.467 0.000 |
9 | ATOM 3 F 2.182 1.467 0.000 |
| 10 | 10 | ||
| 11 | 11 | ||
| 12 | CONECT 1 2 2 2 |
12 | CONECT 1 2 2 2 |
| 13 | CONECT 2 3 |
13 | CONECT 2 3 |
| 14 | 14 | ||
| 15 | MASTER 0 0 0 0 0 0 0 0 5 0 0 0 |
15 | MASTER 0 0 0 0 0 0 0 0 5 0 0 0 |
| 16 | END |
16 | END |