SYBYL atom types
Carbon sp3 (C.3) 1.6.1, 2.5.1, 2.5.2, 2.5.3, 3.5
Carbon sp2 (C.2) 1.6.5, 2.5.2, 2.5.3
Carbon sp (C.1) 1.6.4, 2.5.2, 2.5.3
Carbon aromatic (C.ar) 1.6.3
Carbocation (guanadinium) (C.cat) 1.6.2
Nitrogen sp3 (N.3) 1.8.6, 2.7.2, 2.7.4, 3.7
Nitrogen sp2 (N.2) 1.8.7, 2.7.5
Nitrogen sp (N.1) 1.8.3, 1.8.4, 2.7.2, 2.7.5
Nitrogen aromatic (N.ar) 1.8.2
Nitrogen amide (N.am) 1.8.5, 2.7.3
Nitrogen trigonal planar (N.pl3) 1.8.6, 2.7.4
Nitrogen sp3 positively charged (N.4) 1.8.1, 2.7.1
Oxygen sp3 (O.3) 1.7.2, 2.6.2, 2.6.3, 3.6
Oxygen sp2 (O.2) 1.7.3, 2.6.4
Oxygen in carboxylates and phosphates (O.co2) 1.7.1, 2.6.1
Sulphur sp3 (S.3) 1.9.3, 2.8.3, 3.8
Sulphur sp2 (S.2) 1.9.4, 2.8.4
Sulphoxide sulphur (S.o) 1.9.1, 2.8.1
Sulphone sulphur (S.o2) 1.9.2, 2.8.2
Phosphorus sp3 (P.3) 1.4, 2.3, 3.3
Titanium (Ti.th, Ti.oh) 1.10, 2.9, 3.4
Chromium (Cr.th, Cr.oh) 1.10, 2.9, 3.4
Cobalt (Co.oh) 1.5, 2.4, 3.4
Ruthenium (Ru.oh) 1.5, 2.4, 3.4
Deuterium 1.3, 2.2, 3.2
Polymeric atoms 1.2
Suppressed atoms 1.1, 2.1, 3.1
Other atoms 1.11, 2.10, 3.9
Matched entries 1
Unmatched entries 2
Entries with no crystal connectivity 3