Mercurial > repos > marcel > caddsuite_mac10_6
comparison CADDSuite-1.6/data/atomtyping/SYBYLTypes.dat @ 8:dbb480e39d95 draft
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author | marcel |
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date | Sat, 15 Dec 2012 13:15:46 -0500 |
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7:bfab27640f5e | 8:dbb480e39d95 |
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1 C.3 6 4 * * * * | |
2 C.cat 6 3 * * * (N3,N3,N3) | |
3 C.ar 6 3 * * [AR1] * | |
4 C.2 6 3 * * * * | |
5 C.1 6 2 * * * * | |
6 C.1 6 1 * * * * | |
7 H 1 -1 * * * * | |
8 F 9 -1 * * * * | |
9 Cl 17 -1 * * * * | |
10 Br 35 -1 * * * * | |
11 I 53 -1 * * * * | |
12 P.3 15 -1 * * * * | |
13 N.4 7 4 * * * * | |
14 N.am 7 3 * * * (C3(XA1)) | |
15 N.pl3 7 3 * * * (O1,O1) | |
16 N.pl3 7 3 * * [AR1.AR2.AR3] * | |
17 N.3 7 3 * * * * | |
18 N.ar 7 2 * * [AR1] * | |
19 N.2 7 2 * * * * | |
20 N.1 7 1 * * * * | |
21 O.co2 8 1 * * * (C3(O1)) | |
22 O.co2 8 1 * * * (P(O1)) | |
23 O.2 8 1 * * * * | |
24 O.3 8 2 * * * * | |
25 S.2 16 1 * * * * | |
26 S.3 16 2 * * * * | |
27 S.o 16 3 * * * (O1[DB']) | |
28 S.o2 16 4 * * * (O1[DB'],O1[DB']) | |
29 s.3 16 -1 * * * * | |
30 Li 3 -1 * * * * | |
31 Be 4 -1 * * * * | |
32 B 5 -1 * * * * | |
33 Na 11 -1 * * * * | |
34 Mg 12 -1 * * * * | |
35 Al 13 -1 * * * * | |
36 Si 14 -1 * * * * | |
37 K 19 -1 * * * * | |
38 Ca 20 -1 * * * * | |
39 Sr 38 -1 * * * * | |
40 Ba 56 -1 * * * * | |
41 Sc 21 -1 * * * * | |
42 Ti 22 -1 * * * * | |
43 V 23 -1 * * * * | |
44 Cr 24 -1 * * * * | |
45 Mn 25 -1 * * * * | |
46 Fe 26 -1 * * * * | |
47 Co 27 -1 * * * * | |
48 Ni 28 -1 * * * * | |
49 Cu 29 -1 * * * * | |
50 Zn 30 -1 * * * * | |
51 Ga 31 -1 * * * * | |
52 Ge 32 -1 * * * * | |
53 As 33 -1 * * * * | |
54 Se 34 -1 * * * * | |
55 Ru 44 -1 * * * * | |
56 Rh 45 -1 * * * * | |
57 Pd 46 -1 * * * * | |
58 Ag 47 -1 * * * * | |
59 Cd 48 -1 * * * * | |
60 Pt 78 -1 * * * * | |
61 Au 79 -1 * * * * | |
62 Hg 80 -1 * * * * | |
63 Tl 81 -1 * * * * | |
64 Pb 82 -1 * * * * | |
65 lp 0 1 * * * * | |
66 ANY -1 -1 * * * * * |