Mercurial > repos > greg > gregs_test_repo

comparison CADDSuite-1.0.1/data/OpenBabel/mmffprop.par @ 26:2f19ad95a19d

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Uploaded https://github.com/downloads/CADDSuite/main/CADDSuite_1.0.1_Linux_x86-64.tar.gz
author greg
date Tue, 15 Nov 2011 11:55:29 -0500
parents 389056b8864a
children
comparison
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25:a4ddf6ef032d 26:2f19ad95a19d
1 *
2 * Copyright (c) Merck and Co., Inc., 1993
3 * All Rights Reserved
4 *
5 * MMFFPROP - MMFF atom-type properties
6 *
7 * atype aspec crd val pilp mltb arom lin sbmb
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9 2 6 3 4 0 2 0 0 1
10 3 6 3 4 0 2 0 0 1
11 4 6 2 4 0 3 0 1 1
12 5 1 1 1 0 0 0 0 0
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15 8 7 3 3 1 0 0 0 0
16 9 7 2 3 0 2 0 0 1
17 10 7 3 3 1 1 0 0 0
18 11 9 1 1 1 0 0 0 0
19 12 17 1 1 1 0 0 0 0
20 13 35 1 1 1 0 0 0 0
21 14 53 1 1 1 0 0 0 0
22 15 16 2 2 1 0 0 0 0
23 16 16 1 2 0 2 0 0 0
24 17 16 3 4 0 2 0 0 0
25 18 16 4 4 0 0 0 0 0
26 19 14 4 4 0 0 0 0 0
27 20 6 4 4 0 0 0 0 0
28 21 1 1 1 0 0 0 0 0
29 22 6 4 4 0 0 0 0 0
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59 52 1 1 1 0 0 0 0 0
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62 55 7 3 34 0 1 0 0 0
63 56 7 3 34 0 1 0 0 0
64 57 6 3 4 0 2 0 0 1
65 58 7 3 4 0 1 1 0 1
66 59 8 2 2 1 1 1 0 0
67 60 6 1 3 0 3 0 0 0
68 61 7 2 4 0 3 0 1 0
69 62 7 2 2 1 0 0 0 0
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81 74 16 2 4 0 2 0 0 0
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84 77 17 4 4 0 0 0 0 0
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88 81 7 3 4 0 1 1 0 1
89 82 7 3 4 0 1 1 0 0
90 87 26 0 0 0 0 0 0 0
91 88 26 0 0 0 0 0 0 0
92 89 9 0 0 0 0 0 0 0
93 90 17 0 0 0 0 0 0 0
94 91 35 0 0 0 0 0 0 0
95 92 3 0 0 0 0 0 0 0
96 93 11 0 0 0 0 0 0 0
97 94 19 0 0 0 0 0 0 0
98 95 30 0 0 0 0 0 0 0
99 96 20 0 0 0 0 0 0 0
100 97 29 0 0 0 0 0 0 0
101 98 29 0 0 0 0 0 0 0
102 99 12 0 0 0 0 0 0 0
103 $