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view CADDSuite-1.5/data/OpenBabel/mmffprop.par @ 15:ac342506cd4e draft
CADDSuite version 1.5
| author | Marcel Schumann <schumann.marcel@gmail.com> |
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| date | Tue, 24 Jul 2012 11:08:49 -0400 |
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* * Copyright (c) Merck and Co., Inc., 1993 * All Rights Reserved * * MMFFPROP - MMFF atom-type properties * * atype aspec crd val pilp mltb arom lin sbmb 1 6 4 4 0 0 0 0 0 2 6 3 4 0 2 0 0 1 3 6 3 4 0 2 0 0 1 4 6 2 4 0 3 0 1 1 5 1 1 1 0 0 0 0 0 6 8 2 2 1 0 0 0 0 7 8 1 2 0 2 0 0 0 8 7 3 3 1 0 0 0 0 9 7 2 3 0 2 0 0 1 10 7 3 3 1 1 0 0 0 11 9 1 1 1 0 0 0 0 12 17 1 1 1 0 0 0 0 13 35 1 1 1 0 0 0 0 14 53 1 1 1 0 0 0 0 15 16 2 2 1 0 0 0 0 16 16 1 2 0 2 0 0 0 17 16 3 4 0 2 0 0 0 18 16 4 4 0 0 0 0 0 19 14 4 4 0 0 0 0 0 20 6 4 4 0 0 0 0 0 21 1 1 1 0 0 0 0 0 22 6 4 4 0 0 0 0 0 23 1 1 1 0 0 0 0 0 24 1 1 1 0 0 0 0 0 25 15 4 4 0 0 0 0 0 26 15 3 3 1 0 0 0 0 27 1 1 1 0 0 0 0 0 28 1 1 1 0 0 0 0 0 29 1 1 1 0 0 0 0 0 30 6 3 4 0 2 0 0 1 31 1 1 1 0 0 0 0 0 32 8 1 12 1 1 0 0 0 33 1 1 1 0 0 0 0 0 34 7 4 4 0 0 0 0 0 35 8 1 1 1 1 0 0 0 36 1 1 1 0 0 0 0 0 37 6 3 4 0 2 1 0 1 38 7 2 3 0 2 1 0 0 39 7 3 3 1 1 1 0 1 40 7 3 3 1 0 0 0 0 41 6 3 4 0 1 0 0 0 42 7 1 3 0 3 0 0 0 43 7 3 3 1 0 0 0 0 44 16 2 2 1 1 1 0 0 45 7 3 4 0 2 0 0 0 46 7 2 3 0 2 0 0 0 47 7 1 2 0 2 0 0 0 48 7 2 2 0 0 0 0 0 49 8 3 3 0 0 0 0 0 50 1 1 1 0 0 0 0 0 51 8 2 3 0 2 0 0 0 52 1 1 1 0 0 0 0 0 53 7 2 4 0 2 0 1 0 54 7 3 4 0 2 0 0 1 55 7 3 34 0 1 0 0 0 56 7 3 34 0 1 0 0 0 57 6 3 4 0 2 0 0 1 58 7 3 4 0 1 1 0 1 59 8 2 2 1 1 1 0 0 60 6 1 3 0 3 0 0 0 61 7 2 4 0 3 0 1 0 62 7 2 2 1 0 0 0 0 63 6 3 4 0 2 1 0 1 64 6 3 4 0 2 1 0 1 65 7 2 3 0 2 1 0 0 66 7 2 3 0 2 1 0 0 67 7 3 4 0 2 0 0 1 68 7 4 4 0 0 0 0 0 69 7 3 4 0 1 1 0 0 70 8 2 2 1 0 0 0 0 71 1 1 1 0 0 0 0 0 72 16 1 1 1 1 0 0 0 73 16 3 3 0 0 0 0 0 74 16 2 4 0 2 0 0 0 75 15 2 3 0 2 0 0 1 76 7 2 2 1 0 0 0 0 77 17 4 4 0 0 0 0 0 78 6 3 4 0 2 1 0 1 79 7 2 3 0 2 1 0 0 80 6 3 4 0 2 0 0 1 81 7 3 4 0 1 1 0 1 82 7 3 4 0 1 1 0 0 87 26 0 0 0 0 0 0 0 88 26 0 0 0 0 0 0 0 89 9 0 0 0 0 0 0 0 90 17 0 0 0 0 0 0 0 91 35 0 0 0 0 0 0 0 92 3 0 0 0 0 0 0 0 93 11 0 0 0 0 0 0 0 94 19 0 0 0 0 0 0 0 95 30 0 0 0 0 0 0 0 96 20 0 0 0 0 0 0 0 97 29 0 0 0 0 0 0 0 98 29 0 0 0 0 0 0 0 99 12 0 0 0 0 0 0 0 $