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| Rev | Author | Line No. | Line |
|---|---|---|---|
| 20 | reyssat | 1 | HEADER |
| 2 | COMPND CO2 (exp) |
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| 3 | AUTHOR Gérard Dupuis |
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| 4 | |||
| 5 | créé à partir des valeurs expérimentales. |
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| 6 | |||
| 7 | ATOM 1 O 0.000 0.000 0.000 |
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| 8 | ATOM 2 O 2.320 0,000 0.000 |
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| 9 | ATOM 3 C 1.160 0.000 0.000 |
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| 10 | |||
| 11 | |||
| 12 | CONECT 1 3 3 |
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| 13 | CONECT 2 3 3 |
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| 14 | |||
| 15 | MASTER 0 0 0 0 0 0 0 0 5 0 0 0 |
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| 16 | END |