Rev 20 | Details | Compare with Previous | Last modification | View Log | RSS feed
| Rev | Author | Line No. | Line |
|---|---|---|---|
| 20 | reyssat | 1 | HEADER |
| 2 | COMPND IO2F2 (exp) |
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| 16843 | obado | 3 | Gerard Dupuis |
| 4 | REMARK : cree a partir des longueurs de liaison exp. |
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| 20 | reyssat | 5 | |
| 6 | |||
| 16843 | obado | 7 | ATOM 1 I 0.000 0.000 0.000 |
| 20 | reyssat | 8 | ATOM 2 O 1,240 1,478 0,000 |
| 16843 | obado | 9 | ATOM 3 O 1,240 -1.478 0.000 |
| 10 | ATOM 4 F 0.000 0,000 2.000 |
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| 20 | reyssat | 11 | ATOM 5 F 0,000 0,000 -2,000 |
| 12 | |||
| 13 | |||
| 14 | CONECT 1 2 2 |
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| 15 | CONECT 1 3 3 |
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| 16 | CONECT 1 4 |
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| 17 | CONECT 1 5 |
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| 18 | |||
| 19 | |||
| 20 | |||
| 21 | MASTER 0 0 0 0 0 0 0 0 3 0 0 0 |
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| 22 | END |