Mercurial > repos > marcel > caddsuite_mac10_6
view 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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C.3 6 4 * * * * C.cat 6 3 * * * (N3,N3,N3) C.ar 6 3 * * [AR1] * C.2 6 3 * * * * C.1 6 2 * * * * C.1 6 1 * * * * H 1 -1 * * * * F 9 -1 * * * * Cl 17 -1 * * * * Br 35 -1 * * * * I 53 -1 * * * * P.3 15 -1 * * * * N.4 7 4 * * * * N.am 7 3 * * * (C3(XA1)) N.pl3 7 3 * * * (O1,O1) N.pl3 7 3 * * [AR1.AR2.AR3] * N.3 7 3 * * * * N.ar 7 2 * * [AR1] * N.2 7 2 * * * * N.1 7 1 * * * * O.co2 8 1 * * * (C3(O1)) O.co2 8 1 * * * (P(O1)) O.2 8 1 * * * * O.3 8 2 * * * * S.2 16 1 * * * * S.3 16 2 * * * * S.o 16 3 * * * (O1[DB']) S.o2 16 4 * * * (O1[DB'],O1[DB']) s.3 16 -1 * * * * Li 3 -1 * * * * Be 4 -1 * * * * B 5 -1 * * * * Na 11 -1 * * * * Mg 12 -1 * * * * Al 13 -1 * * * * Si 14 -1 * * * * K 19 -1 * * * * Ca 20 -1 * * * * Sr 38 -1 * * * * Ba 56 -1 * * * * Sc 21 -1 * * * * Ti 22 -1 * * * * V 23 -1 * * * * Cr 24 -1 * * * * Mn 25 -1 * * * * Fe 26 -1 * * * * Co 27 -1 * * * * Ni 28 -1 * * * * Cu 29 -1 * * * * Zn 30 -1 * * * * Ga 31 -1 * * * * Ge 32 -1 * * * * As 33 -1 * * * * Se 34 -1 * * * * Ru 44 -1 * * * * Rh 45 -1 * * * * Pd 46 -1 * * * * Ag 47 -1 * * * * Cd 48 -1 * * * * Pt 78 -1 * * * * Au 79 -1 * * * * Hg 80 -1 * * * * Tl 81 -1 * * * * Pb 82 -1 * * * * lp 0 1 * * * * ANY -1 -1 * * * * *