Rev 20 | Details | Compare with Previous | Last modification | View Log | RSS feed
| Rev | Author | Line No. | Line |
|---|---|---|---|
| 20 | reyssat | 1 | HEADER |
| 2 | COMPND XeOF4(estim) |
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| 16843 | obado | 3 | AUTHOR : Gerard Dupuis |
| 4 | REMARK : cree a partir des longueurs de liaison estimees. |
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| 20 | reyssat | 5 | |
| 6 | |||
| 16843 | obado | 7 | ATOM 1 Xe 0.000 0.000 0.000 |
| 20 | reyssat | 8 | ATOM 2 F -1,900 0,000 0,000 |
| 9 | ATOM 3 F 1,900 0,000 0,000 |
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| 16843 | obado | 10 | ATOM 4 F 0,000 1.900 0.000 |
| 11 | ATOM 5 F 0,000 -1,900 0,000 |
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| 20 | reyssat | 12 | ATOM 6 O 0,000 0,000 1,800 |
| 13 | |||
| 14 | |||
| 16843 | obado | 15 | CONECT 1 2 |
| 16 | CONECT 1 3 |
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| 20 | reyssat | 17 | CONECT 1 4 |
| 18 | CONECT 1 5 |
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| 19 | CONECT 1 6 6 |
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| 20 | |||
| 21 | |||
| 22 | MASTER 0 0 0 0 0 0 0 0 6 0 0 0 |
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| 23 | END |