Mercurial > repos > marcel > caddsuite_linux_x86_64
annotate CADDSuite/data/OpenBabel/mmffdfsb.par @ 7:5b29b679ee6d
Uploaded Version 0.95
author | marcel |
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date | Tue, 12 Jul 2011 10:29:49 -0400 |
parents | bac3c274238f |
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1 * |
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2 * Copyright (c) Merck and Co., Inc., 1994 |
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3 * All Rights Reserved |
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4 * |
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5 * MMFF Default Stretch-Bend Parameters |
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6 * Row in |
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7 * Periodic Table |
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8 * IR JR KR F(I_J,K) F(K_J,I) |
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9 0 1 0 0.15 0.15 |
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10 0 1 1 0.10 0.30 |
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11 0 1 2 0.05 0.35 |
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12 0 1 3 0.05 0.35 |
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13 0 1 4 0.05 0.35 |
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14 0 2 0 0.00 0.00 |
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15 0 2 1 0.00 0.15 |
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16 0 2 2 0.00 0.15 |
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17 0 2 3 0.00 0.15 |
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18 0 2 4 0.00 0.15 |
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19 1 1 1 0.30 0.30 |
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20 1 1 2 0.30 0.50 |
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21 1 1 3 0.30 0.50 |
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22 1 1 4 0.30 0.50 |
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23 2 1 2 0.50 0.50 |
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24 2 1 3 0.50 0.50 |
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25 2 1 4 0.50 0.50 |
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26 3 1 3 0.50 0.50 |
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27 3 1 4 0.50 0.50 |
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28 4 1 4 0.50 0.50 |
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29 1 2 1 0.30 0.30 |
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30 1 2 2 0.25 0.25 |
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31 1 2 3 0.25 0.25 |
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32 1 2 4 0.25 0.25 |
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33 2 2 2 0.25 0.25 |
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34 2 2 3 0.25 0.25 |
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35 2 2 4 0.25 0.25 |
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36 3 2 3 0.25 0.25 |
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37 3 2 4 0.25 0.25 |
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38 4 2 4 0.25 0.25 |
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39 $ |