Mercurial > repos > marcel > caddsuite_mac10_6
view CADDSuite/data/atomtyping/AMBERTypes.dat @ 0:8ce0411aaeb3
Uploaded CADDSuite version 0.94
author | marcel |
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date | Sun, 26 Jun 2011 14:01:09 -0400 |
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CT 6 4 * * * * C 6 3 * * * (XA1) CN 6 3 * * [RG5,RG6,AR1.AR2.AR3] (C3,C3,N3(H)) CB 6 3 * * [RG5,RG6,AR1.AR2.AR3] * CR 6 3 * * [RG5,AR1.AR2.AR3] (N3,N3) CR 6 3 * * [RG5,AR1.AR2.AR3] (N2,N3(H)) CK 6 3 * * [RG5,AR1.AR2.AR3] (N2,N3) CC 6 3 0 * [RG5,AR1.AR2.AR3] (C3,N3(C3,H)) CC 6 3 0 * [RG5,AR1.AR2.AR3] (C3,N2(C3)) CW 6 3 * * [RG5,AR1.AR2.AR3] (C3,N3(H)) CV 6 3 * * [RG5,AR1.AR2.AR3] (C3,N2) C* 6 3 * * [RG5,AR1.AR2.AR3] (C3,C3) CQ 6 3 * * [RG6,AR1.AR2.AR3] (N2,N2) CM 6 3 * * [RG6,AR1.AR2.AR3] (C3,C3(N2(C3(N3(C3))))) CM 6 3 * * [RG6,AR1.AR2.AR3] (C3,C3(N3(C3(N3(C3))))) CM 6 3 * * [RG6,AR1.AR2.AR3] (C3,N3(C3(N2(C3(C3))))) CM 6 3 * * [RG6,AR1.AR2.AR3] (N3,C3(C3(N3(C3(N3))))) CA 6 3 * * [AR1.AR2.AR3] * CD 6 3 * * * (C3,C3) CM 6 3 * * * * CZ 6 2 * * * * H 1 1 * * * (N) HS 1 1 * * * (S) HP 1 1 * * * (C(N4)) HW 1 1 * * * (O(H1)) HO 1 1 * * * (O) H1 1 1 * 1 * (C4) H2 1 1 * 2 * (C4) H3 1 1 * 3 * (C4) HC 1 1 * * * (C4) H4 1 1 * 1 * (XX[AR1.AR2.AR3]) H5 1 1 * 2 * (XX[AR1.AR2.AR3]) HA 1 1 * * * (XX[AR1.AR2.AR3]) F 9 1 * * * * Cl 17 1 * * * * Br 35 1 * * * * I 53 1 * * * * N1 7 1 * * * * NB 7 2 * * [RG5,AR1.AR2.AR3] * NC 7 2 * * [RG6,AR1.AR2.AR3] * N2 7 -1 * * * (C3(N3,N3)) NO 7 -1 * * * (O1,O1) NA 7 3 1 * [RG5.RG6,AR1.AR2.AR3] * N2 7 3 * * [NR] (XX[AR1.AR2.AR3]) N* 7 3 * * [AR1.AR2.AR3] * N 7 3 * * * (C3(XA1)) NT 7 3 * * * * N3 7 4 * * * * O2 8 1 * * * (C(O1)) O2 8 1 * * * (P) O 8 1 * * * (C) O 8 1 * * * (S) OH 8 2 1 * * * OW 8 2 2 * * * OS 8 2 * * * * SH 16 2 1 * * * SH 16 2 2 * * * S 16 2 * * * * SO 16 4 * * * * LP 0 -1 * * * * DU -1 -1 * * * *