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 |