Rev 20 | Show entire file | Ignore whitespace | Details | Blame | Last modification | View Log | RSS feed
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1 | HEADER |
1 | HEADER |
2 | COMPND CO2 (exp) |
2 | COMPND CO2 (exp) |
3 | AUTHOR |
3 | AUTHOR Gerard Dupuis |
4 | 4 | ||
5 |
|
5 | cree a partir des valeurs experimentales. |
6 | 6 | ||
7 | ATOM 1 O 0.000 0.000 0.000 |
7 | ATOM 1 O 0.000 0.000 0.000 |
8 | ATOM 2 O 2.320 0,000 0.000 |
8 | ATOM 2 O 2.320 0,000 0.000 |
9 | ATOM 3 C 1.160 0.000 0.000 |
9 | ATOM 3 C 1.160 0.000 0.000 |
10 | 10 | ||
11 | 11 | ||
12 | CONECT 1 3 3 |
12 | CONECT 1 3 3 |
13 | CONECT 2 3 3 |
13 | CONECT 2 3 3 |
14 | 14 |