CC3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O27	C26	doub	1.23Å	1.23Å
C26	N25	sing	1.40Å	1.34Å
C26	C28	sing	1.51Å	1.51Å
C28	C30	sing	1.48Å	1.53Å
C28	C29	sing	1.48Å	1.52Å
C28	H28	sing	1.07Å	1.10Å
C30	C29	sing	1.50Å	1.52Å
C30	H301	sing	1.08Å	1.10Å
C30	H302	sing	1.08Å	1.10Å
C29	H291	sing	1.08Å	1.10Å
C29	H292	sing	1.08Å	1.10Å
N25	C21	sing	1.40Å	1.37Å
N25	HN25	sing	1.03Å	1.00Å
C21	C20	sing	1.39Å	1.39Å	Aromatic
C21	C22	doub	1.39Å	1.40Å	Aromatic
C20	C19	doub	1.40Å	1.39Å	Aromatic
C20	H20	sing	1.09Å	1.08Å
C22	C23	sing	1.40Å	1.39Å	Aromatic
C22	H22	sing	1.09Å	1.08Å
C23	C24	doub	1.39Å	1.40Å	Aromatic
C23	H23	sing	1.09Å	1.08Å
C24	C19	sing	1.40Å	1.39Å	Aromatic
C24	H24	sing	1.09Å	1.08Å
C19	N18	sing	1.41Å	1.36Å
N18	C16	sing	1.41Å	1.36Å
N18	HN18	sing	1.01Å	1.00Å
C16	N15	doub	1.35Å	1.35Å	Aromatic
C16	N17	sing	1.35Å	1.36Å	Aromatic
N15	C14	sing	1.35Å	1.34Å	Aromatic
C14	C13	doub	1.38Å	1.39Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
C13	C12	sing	1.38Å	1.39Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
N17	C12	doub	1.35Å	1.36Å	Aromatic
C12	N11	sing	1.41Å	1.36Å
N11	C1	sing	1.41Å	1.36Å
N11	HN11	sing	1.02Å	1.00Å
C1	C6	doub	1.40Å	1.39Å	Aromatic
C1	C2	sing	1.39Å	1.40Å	Aromatic
C6	C5	sing	1.39Å	1.40Å	Aromatic
C6	H6	sing	1.09Å	1.08Å
C5	C7	sing	1.49Å	1.51Å
C5	C4	doub	1.40Å	1.40Å	Aromatic
C7	F10	sing	1.37Å	1.33Å
C7	F9	sing	1.37Å	1.32Å
C7	F8	sing	1.36Å	1.33Å
C4	C3	sing	1.39Å	1.39Å	Aromatic
C4	H4	sing	1.09Å	1.08Å
C3	C2	doub	1.39Å	1.39Å	Aromatic
C3	H3	sing	1.09Å	1.08Å
C2	H2	sing	1.09Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O27	C26	N25	124.2°	127.5°
O27	C26	C28	119.5°	120.8°
N25	C26	C28	116.3°	111.7°
C26	N25	C21	126.4°	128.1°
C26	N25	HN25	116.8°	115.6°
C26	C28	C30	111.3°	117.8°
C26	C28	C29	110.5°	117.8°
C26	C28	H28	100.3°	112.8°
C30	C28	C29	59.9°	60.8°
C30	C28	H28	135.2°	119.2°
C28	C30	C29	59.9°	59.6°
C28	C30	H301	130.9°	116.8°
C28	C30	H302	136.1°	119.9°
C29	C28	H28	135.8°	119.2°
C28	C29	C30	60.2°	59.6°
C28	C29	H291	130.8°	120.0°
C28	C29	H292	135.9°	116.8°
C29	C30	H301	130.9°	117.9°
C29	C30	H302	136.0°	117.6°
C30	C29	H291	130.8°	117.7°
C30	C29	H292	135.9°	117.6°
H301	C30	H302	74.7°	114.4°
H291	C29	H292	74.9°	114.4°
C21	N25	HN25	116.8°	116.3°
N25	C21	C20	118.1°	120.0°
N25	C21	C22	123.2°	120.0°
C20	C21	C22	118.6°	120.0°
C21	C20	C19	121.4°	120.1°
C21	C20	H20	119.3°	120.0°
C21	C22	C23	120.8°	120.0°
C21	C22	H22	119.6°	120.7°
C19	C20	H20	119.3°	119.9°
C20	C19	C24	119.1°	119.8°
C20	C19	N18	117.1°	120.1°
C23	C22	H22	119.6°	119.3°
C22	C23	C24	119.6°	120.0°
C22	C23	H23	120.2°	120.0°
C24	C23	H23	120.2°	120.0°
C23	C24	C19	120.3°	120.1°
C23	C24	H24	119.8°	119.3°
C19	C24	H24	119.8°	120.6°
C24	C19	N18	123.8°	120.1°
C19	N18	C16	129.2°	132.6°
C19	N18	HN18	115.4°	113.9°
C16	N18	HN18	115.4°	113.6°
N18	C16	N15	117.3°	116.5°
N18	C16	N17	123.0°	116.6°
N15	C16	N17	119.8°	126.9°
C16	N15	C14	121.3°	115.0°
C16	N17	C12	121.1°	115.3°
N15	C14	C13	120.0°	123.8°
N15	C14	H14	120.0°	115.3°
C13	C14	H14	120.0°	120.9°
C14	C13	C12	118.8°	115.9°
C14	C13	H13	120.6°	121.5°
C12	C13	H13	120.6°	122.6°
C13	C12	N17	119.0°	123.2°
C13	C12	N11	118.1°	117.7°
N17	C12	N11	122.9°	119.2°
C12	N11	C1	127.4°	132.6°
C12	N11	HN11	116.3°	113.8°
C1	N11	HN11	116.3°	113.6°
N11	C1	C6	117.6°	120.0°
N11	C1	C2	123.6°	120.0°
C6	C1	C2	118.8°	120.0°
C1	C6	C5	120.8°	120.0°
C1	C6	H6	119.6°	120.2°
C1	C2	C3	121.1°	120.0°
C1	C2	H2	119.5°	120.6°
C5	C6	H6	119.6°	119.9°
C6	C5	C7	119.6°	120.0°
C6	C5	C4	119.7°	120.0°
C7	C5	C4	120.7°	120.0°
C5	C7	F10	110.6°	113.6°
C5	C7	F9	107.5°	113.6°
C5	C7	F8	110.7°	112.7°
C5	C4	C3	119.9°	120.0°
C5	C4	H4	120.0°	120.4°
F10	C7	F9	108.8°	105.1°
F10	C7	F8	109.3°	105.6°
F9	C7	F8	109.9°	105.6°
C3	C4	H4	120.1°	119.6°
C4	C3	C2	119.8°	120.0°
C4	C3	H3	120.1°	120.0°
C2	C3	H3	120.1°	120.0°
C3	C2	H2	119.5°	119.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O27	C26	N25	C28	178.8°	179.8°
O27	C26	C28	C30	117.8°	94.9°
O27	C26	C28	C29	53.2°	25.1°
O27	C26	C28	H28	94.5°	120.0°
O27	C26	N25	C21	3.5°	0.3°
O27	C26	N25	HN25	176.5°	179.8°
N25	C26	C28	C30	63.3°	84.9°
N25	C26	C28	C29	127.9°	154.7°
N25	C26	C28	H28	84.3°	60.2°
C26	N25	C21	HN25	180.0°	179.9°
C26	N25	C21	C20	157.2°	0.0°
C26	N25	C21	C22	24.3°	180.0°
C26	C28	C30	C29	102.0°	108.1°
C26	C28	C30	H28	131.6°	142.8°
C26	C28	C29	H28	131.2°	142.8°
C26	C28	C30	H301	138.0°	143.8°
C26	C28	C30	H302	24.7°	1.7°
C26	C28	C29	H291	136.6°	1.5°
C26	C28	C29	H292	23.3°	144.1°
C28	C26	N25	C21	175.3°	179.9°
C28	C26	N25	HN25	4.7°	0.0°
C30	C28	C29	H28	125.4°	109.2°
C28	C30	C29	H301	120.0°	106.3°
C28	C30	C29	H302	126.7°	110.3°
C28	C30	H301	H302	138.7°	147.5°
C30	C28	C29	H291	120.0°	106.5°
C30	C28	C29	H292	126.7°	107.9°
C28	C29	H291	H292	138.5°	146.4°
H28	C28	C30	H301	6.4°	1.0°
H28	C28	C30	H302	107.0°	144.6°
H28	C28	C29	H291	5.4°	144.4°
H28	C28	C29	H292	107.9°	1.3°
C29	C30	H301	H302	138.6°	144.5°
C30	C29	H291	H292	138.5°	144.5°
H301	C30	C29	H291	0.0°	143.4°
H301	C30	C29	H292	113.3°	0.1°
H302	C30	C29	H291	113.3°	0.0°
H302	C30	C29	H292	0.0°	143.4°
N25	C21	C20	C22	178.6°	180.0°
N25	C21	C20	C19	178.8°	180.0°
N25	C21	C20	H20	1.1°	0.1°
N25	C21	C22	C23	179.1°	180.0°
N25	C21	C22	H22	0.9°	0.0°
HN25	N25	C21	C20	22.7°	180.0°
HN25	N25	C21	C22	155.8°	0.1°
C21	C20	C19	H20	180.0°	180.0°
C20	C21	C22	C23	0.6°	0.0°
C20	C21	C22	H22	179.4°	180.0°
C21	C20	C19	C24	0.1°	0.1°
C21	C20	C19	N18	179.9°	180.0°
C22	C21	C20	C19	0.3°	0.0°
C22	C21	C20	H20	179.7°	180.0°
C21	C22	C23	H22	180.0°	180.0°
C21	C22	C23	C24	0.6°	0.0°
C21	C22	C23	H23	179.4°	180.0°
C20	C19	C24	C23	0.1°	0.1°
C20	C19	C24	N18	179.8°	180.0°
C20	C19	C24	H24	179.9°	179.9°
C20	C19	N18	C16	177.4°	30.0°
C20	C19	N18	HN18	2.6°	150.0°
H20	C20	C19	C24	179.9°	180.0°
H20	C20	C19	N18	0.1°	0.0°
C22	C23	C24	H23	180.0°	180.0°
C22	C23	C24	C19	0.2°	0.0°
C22	C23	C24	H24	179.8°	179.9°
H22	C22	C23	C24	179.5°	180.0°
H22	C22	C23	H23	0.5°	0.0°
C23	C24	C19	H24	180.0°	179.9°
C23	C24	C19	N18	179.9°	180.0°
H23	C23	C24	C19	179.8°	180.0°
H23	C23	C24	H24	0.2°	0.1°
C24	C19	N18	C16	2.4°	150.0°
C24	C19	N18	HN18	177.6°	30.1°
H24	C24	C19	N18	0.1°	0.1°
C19	N18	C16	HN18	180.0°	180.0°
C19	N18	C16	N15	178.1°	180.0°
C19	N18	C16	N17	2.1°	0.0°
N18	C16	N15	N17	179.7°	180.0°
N18	C16	N15	C14	180.0°	180.0°
N18	C16	N17	C12	179.6°	180.0°
HN18	N18	C16	N15	1.9°	0.1°
HN18	N18	C16	N17	177.9°	180.0°
C16	N15	C14	C13	0.3°	0.0°
C16	N15	C14	H14	179.7°	180.0°
N15	C16	N17	C12	0.1°	0.0°
N17	C16	N15	C14	0.2°	0.0°
C16	N17	C12	C13	0.3°	0.0°
C16	N17	C12	N11	179.6°	180.0°
N15	C14	C13	H14	180.0°	180.0°
N15	C14	C13	C12	0.1°	0.0°
N15	C14	C13	H13	179.9°	180.0°
C14	C13	C12	H13	180.0°	180.0°
C14	C13	C12	N17	0.2°	0.0°
C14	C13	C12	N11	179.7°	180.0°
H14	C14	C13	C12	180.0°	180.0°
H14	C14	C13	H13	0.1°	0.0°
C13	C12	N17	N11	179.9°	180.0°
C13	C12	N11	C1	175.4°	150.1°
C13	C12	N11	HN11	4.6°	30.0°
H13	C13	C12	N17	179.8°	180.0°
H13	C13	C12	N11	0.3°	0.0°
N17	C12	N11	C1	4.5°	29.9°
N17	C12	N11	HN11	175.5°	150.0°
C12	N11	C1	HN11	180.0°	179.9°
C12	N11	C1	C6	177.3°	0.1°
C12	N11	C1	C2	2.4°	179.9°
N11	C1	C6	C2	179.8°	180.0°
N11	C1	C6	C5	179.8°	179.9°
N11	C1	C6	H6	0.2°	0.1°
N11	C1	C2	C3	179.6°	179.9°
N11	C1	C2	H2	0.4°	0.0°
HN11	N11	C1	C6	2.7°	180.0°
HN11	N11	C1	C2	177.5°	0.0°
C1	C6	C5	H6	180.0°	179.8°
C1	C6	C5	C7	179.5°	179.9°
C1	C6	C5	C4	0.2°	0.1°
C6	C1	C2	C3	0.2°	0.1°
C6	C1	C2	H2	179.8°	180.0°
C2	C1	C6	C5	0.0°	0.1°
C2	C1	C6	H6	180.0°	179.9°
C1	C2	C3	C4	0.2°	0.1°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	H3	179.9°	180.0°
C6	C5	C7	C4	179.3°	180.0°
C6	C5	C7	F10	31.4°	180.0°
C6	C5	C7	F9	87.3°	59.9°
C6	C5	C7	F8	152.7°	60.0°
C6	C5	C4	C3	0.2°	0.0°
C6	C5	C4	H4	179.8°	180.0°
H6	C6	C5	C7	0.5°	0.1°
H6	C6	C5	C4	179.8°	179.9°
C5	C7	F10	F9	117.9°	124.7°
C5	C7	F10	F8	122.1°	124.0°
C5	C7	F9	F8	120.6°	123.9°
C7	C5	C4	C3	179.5°	180.0°
C7	C5	C4	H4	0.4°	0.0°
C4	C5	C7	F10	149.3°	0.0°
C4	C5	C7	F9	92.0°	120.1°
C4	C5	C7	F8	28.0°	120.0°
C5	C4	C3	H4	180.0°	180.0°
C5	C4	C3	C2	0.0°	0.0°
C5	C4	C3	H3	180.0°	180.0°
F10	C7	F9	F8	119.6°	111.3°
C4	C3	C2	H3	180.0°	179.9°
C4	C3	C2	H2	179.8°	180.0°
H4	C4	C3	C2	179.9°	180.0°
H4	C4	C3	H3	0.1°	0.1°
H3	C3	C2	H2	0.1°	0.1°

Definition date:	2006-10-27
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2NP8