annotate CADDSuite-1.0.1/data/OpenBabel/mmffdfsb.par @ 9:2cff9609f2c7

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author marcel
date Tue, 15 Nov 2011 10:40:26 -0500
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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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19 1 1 1 0.30 0.30
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20 1 1 2 0.30 0.50
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39 $