Mercurial > repos > marcel > caddsuite_mac10_6
comparison CADDSuite/data/atomtyping/AMBERTypes.dat @ 0:8ce0411aaeb3
Uploaded CADDSuite version 0.94
author | marcel |
---|---|
date | Sun, 26 Jun 2011 14:01:09 -0400 |
parents | |
children |
comparison
equal
deleted
inserted
replaced
-1:000000000000 | 0:8ce0411aaeb3 |
---|---|
1 CT 6 4 * * * * | |
2 C 6 3 * * * (XA1) | |
3 CN 6 3 * * [RG5,RG6,AR1.AR2.AR3] (C3,C3,N3(H)) | |
4 CB 6 3 * * [RG5,RG6,AR1.AR2.AR3] * | |
5 CR 6 3 * * [RG5,AR1.AR2.AR3] (N3,N3) | |
6 CR 6 3 * * [RG5,AR1.AR2.AR3] (N2,N3(H)) | |
7 CK 6 3 * * [RG5,AR1.AR2.AR3] (N2,N3) | |
8 CC 6 3 0 * [RG5,AR1.AR2.AR3] (C3,N3(C3,H)) | |
9 CC 6 3 0 * [RG5,AR1.AR2.AR3] (C3,N2(C3)) | |
10 CW 6 3 * * [RG5,AR1.AR2.AR3] (C3,N3(H)) | |
11 CV 6 3 * * [RG5,AR1.AR2.AR3] (C3,N2) | |
12 C* 6 3 * * [RG5,AR1.AR2.AR3] (C3,C3) | |
13 CQ 6 3 * * [RG6,AR1.AR2.AR3] (N2,N2) | |
14 CM 6 3 * * [RG6,AR1.AR2.AR3] (C3,C3(N2(C3(N3(C3))))) | |
15 CM 6 3 * * [RG6,AR1.AR2.AR3] (C3,C3(N3(C3(N3(C3))))) | |
16 CM 6 3 * * [RG6,AR1.AR2.AR3] (C3,N3(C3(N2(C3(C3))))) | |
17 CM 6 3 * * [RG6,AR1.AR2.AR3] (N3,C3(C3(N3(C3(N3))))) | |
18 CA 6 3 * * [AR1.AR2.AR3] * | |
19 CD 6 3 * * * (C3,C3) | |
20 CM 6 3 * * * * | |
21 CZ 6 2 * * * * | |
22 H 1 1 * * * (N) | |
23 HS 1 1 * * * (S) | |
24 HP 1 1 * * * (C(N4)) | |
25 HW 1 1 * * * (O(H1)) | |
26 HO 1 1 * * * (O) | |
27 H1 1 1 * 1 * (C4) | |
28 H2 1 1 * 2 * (C4) | |
29 H3 1 1 * 3 * (C4) | |
30 HC 1 1 * * * (C4) | |
31 H4 1 1 * 1 * (XX[AR1.AR2.AR3]) | |
32 H5 1 1 * 2 * (XX[AR1.AR2.AR3]) | |
33 HA 1 1 * * * (XX[AR1.AR2.AR3]) | |
34 F 9 1 * * * * | |
35 Cl 17 1 * * * * | |
36 Br 35 1 * * * * | |
37 I 53 1 * * * * | |
38 N1 7 1 * * * * | |
39 NB 7 2 * * [RG5,AR1.AR2.AR3] * | |
40 NC 7 2 * * [RG6,AR1.AR2.AR3] * | |
41 N2 7 -1 * * * (C3(N3,N3)) | |
42 NO 7 -1 * * * (O1,O1) | |
43 NA 7 3 1 * [RG5.RG6,AR1.AR2.AR3] * | |
44 N2 7 3 * * [NR] (XX[AR1.AR2.AR3]) | |
45 N* 7 3 * * [AR1.AR2.AR3] * | |
46 N 7 3 * * * (C3(XA1)) | |
47 NT 7 3 * * * * | |
48 N3 7 4 * * * * | |
49 O2 8 1 * * * (C(O1)) | |
50 O2 8 1 * * * (P) | |
51 O 8 1 * * * (C) | |
52 O 8 1 * * * (S) | |
53 OH 8 2 1 * * * | |
54 OW 8 2 2 * * * | |
55 OS 8 2 * * * * | |
56 SH 16 2 1 * * * | |
57 SH 16 2 2 * * * | |
58 S 16 2 * * * * | |
59 SO 16 4 * * * * | |
60 LP 0 -1 * * * * | |
61 DU -1 -1 * * * * |