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| Rev | Author | Line No. | Line |
|---|---|---|---|
| 20 | reyssat | 1 | HEADER |
| 2 | COMPND H2O (exp) |
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| 3 | |||
| 4 | Gérard Dupuis |
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| 5 | REMARK construit à partir des données exp. |
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| 6 | (longueur O-H : 0,0957 nm) |
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| 7 | (angle entre les liaisons 104,52°) |
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| 8 | |||
| 9 | ATOM 1 O 0.000 0.000 0.000 |
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| 10 | ATOM 2 H 0.957 0.000 0.000 |
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| 11 | ATOM 3 H -0.240 0.926 0.000 |
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| 12 | CONECT 1 2 3 |
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| 13 | MASTER 0 0 0 0 0 0 0 0 3 0 0 0 |
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| 14 | END |