7HH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C29	C30	doub	1.38Å	1.37Å	Aromatic
C29	C28	sing	1.38Å	1.38Å	Aromatic
C30	C31	sing	1.38Å	1.38Å	Aromatic
C28	C27	doub	1.38Å	1.38Å	Aromatic
C31	C10	doub	1.40Å	1.39Å	Aromatic
C27	C10	sing	1.40Å	1.39Å	Aromatic
CL1	C24	sing	1.74Å	1.74Å
C10	C9	sing	1.48Å	1.50Å
C23	C24	doub	1.38Å	1.38Å	Aromatic
C23	C22	sing	1.38Å	1.38Å	Aromatic
C24	C25	sing	1.38Å	1.37Å	Aromatic
C9	N8	sing	1.35Å	1.36Å
C9	O11	doub	1.22Å	1.23Å
C22	C21	doub	1.38Å	1.38Å	Aromatic
N8	C4	sing	1.40Å	1.42Å
C25	C26	doub	1.38Å	1.38Å	Aromatic
C21	C26	sing	1.38Å	1.38Å	Aromatic
C21	C20	sing	1.51Å	1.49Å
O19	C5	sing	1.36Å	1.37Å
O19	C20	sing	1.43Å	1.44Å
C4	C3	doub	1.38Å	1.39Å	Aromatic
C4	C5	sing	1.40Å	1.41Å	Aromatic
C3	C2	sing	1.40Å	1.40Å	Aromatic
C5	C6	doub	1.39Å	1.39Å	Aromatic
C2	C7	doub	1.40Å	1.39Å	Aromatic
C2	C12	sing	1.48Å	1.49Å
C6	C7	sing	1.38Å	1.38Å	Aromatic
O13	C12	doub	1.22Å	1.23Å
C12	N14	sing	1.35Å	1.34Å
N14	C15	sing	1.46Å	1.45Å
C15	C16	sing	1.51Å	1.51Å
C16	O17	sing	1.34Å	1.35Å
C16	O18	doub	1.21Å	1.22Å
N14	H36	sing	0.97Å	1.00Å
C15	H37	sing	1.09Å	1.10Å
C15	H38	sing	1.09Å	1.10Å
C20	H41	sing	1.09Å	1.10Å
C20	H40	sing	1.09Å	1.10Å
C22	H42	sing	1.08Å	1.08Å
C23	H43	sing	1.08Å	1.08Å
C27	H46	sing	1.08Å	1.08Å
C3	H32	sing	1.08Å	1.08Å
C6	H33	sing	1.08Å	1.08Å
C7	H34	sing	1.08Å	1.08Å
N8	H35	sing	0.97Å	1.00Å
O17	H39	sing	0.97Å	0.95Å
C25	H44	sing	1.08Å	1.08Å
C26	H45	sing	1.08Å	1.08Å
C28	H47	sing	1.08Å	1.08Å
C29	H48	sing	1.08Å	1.08Å
C30	H49	sing	1.08Å	1.08Å
C31	H50	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C30	C29	C28	119.8°	120.3°
C29	C30	C31	120.4°	120.1°
C30	C29	H48	120.1°	119.8°
C29	C30	H49	119.8°	119.9°
C29	C28	C27	120.6°	120.1°
C29	C28	H47	119.7°	119.9°
C28	C29	H48	120.1°	119.9°
C30	C31	C10	120.6°	119.9°
C31	C30	H49	119.8°	120.0°
C30	C31	H50	119.7°	120.1°
C28	C27	C10	120.3°	119.9°
C28	C27	H46	119.8°	120.0°
C27	C28	H47	119.7°	120.0°
C31	C10	C27	118.4°	119.7°
C31	C10	C9	118.8°	120.1°
C10	C31	H50	119.7°	120.1°
C27	C10	C9	122.8°	120.2°
C10	C27	H46	119.9°	120.1°
CL1	C24	C23	119.7°	120.0°
CL1	C24	C25	119.2°	120.0°
C10	C9	N8	117.0°	120.0°
C10	C9	O11	120.1°	120.0°
C24	C23	C22	119.3°	120.0°
C23	C24	C25	121.0°	120.0°
C24	C23	H43	120.4°	120.0°
C23	C22	C21	120.7°	120.0°
C23	C22	H42	119.6°	120.0°
C22	C23	H43	120.4°	120.0°
C24	C25	C26	119.2°	120.0°
C24	C25	H44	120.4°	120.0°
N8	C9	O11	122.9°	120.0°
C9	N8	C4	127.0°	120.0°
C9	N8	H35	116.5°	119.9°
C22	C21	C26	118.4°	120.0°
C22	C21	C20	120.2°	120.0°
C21	C22	H42	119.6°	120.0°
N8	C4	C3	122.8°	120.0°
N8	C4	C5	117.8°	120.0°
C4	N8	H35	116.5°	120.0°
C25	C26	C21	121.2°	120.1°
C26	C25	H44	120.4°	120.0°
C25	C26	H45	119.4°	120.0°
C26	C21	C20	120.5°	120.0°
C21	C26	H45	119.4°	120.0°
C21	C20	O19	105.7°	109.5°
C21	C20	H41	110.4°	109.5°
C21	C20	H40	110.4°	109.5°
C5	O19	C20	119.5°	117.0°
O19	C5	C4	114.9°	119.9°
O19	C5	C6	124.7°	119.9°
O19	C20	H41	110.4°	109.4°
O19	C20	H40	110.4°	109.4°
C3	C4	C5	119.3°	120.0°
C4	C3	C2	120.1°	119.8°
C4	C3	H32	119.9°	120.1°
C4	C5	C6	120.5°	120.1°
C3	C2	C7	119.6°	119.8°
C3	C2	C12	119.1°	120.0°
C2	C3	H32	120.0°	120.1°
C5	C6	C7	119.6°	120.1°
C5	C6	H33	120.2°	119.9°
C7	C2	C12	121.1°	120.1°
C2	C7	C6	120.9°	120.1°
C2	C7	H34	119.6°	119.9°
C2	C12	O13	119.5°	120.0°
C2	C12	N14	117.3°	120.0°
C7	C6	H33	120.2°	119.9°
C6	C7	H34	119.6°	120.0°
O13	C12	N14	123.3°	120.0°
C12	N14	C15	122.5°	120.0°
C12	N14	H36	118.7°	120.0°
N14	C15	C16	114.7°	109.5°
C15	N14	H36	118.8°	120.0°
N14	C15	H37	108.2°	109.5°
N14	C15	H38	108.1°	109.5°
C15	C16	O17	112.4°	120.0°
C15	C16	O18	124.3°	120.0°
C16	C15	H37	108.2°	109.5°
C16	C15	H38	108.1°	109.5°
O17	C16	O18	123.4°	120.0°
C16	O17	H39	109.5°	117.0°
H37	C15	H38	109.5°	109.4°
H41	C20	H40	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C30	C29	C28	H48	180.0°	179.8°
C29	C30	C31	H49	180.0°	179.8°
C30	C29	C28	C27	1.0°	0.1°
C29	C30	C31	C10	1.0°	0.5°
C30	C29	C28	H47	179.1°	180.0°
C29	C30	C31	H50	179.0°	180.0°
C28	C29	C30	C31	1.8°	0.2°
C29	C28	C27	H47	180.0°	180.0°
C29	C28	C27	C10	0.7°	0.0°
C29	C28	C27	H46	179.3°	179.7°
C28	C29	C30	H49	178.2°	180.0°
C30	C31	C10	H50	180.0°	179.5°
C30	C31	C10	C27	0.6°	0.5°
C30	C31	C10	C9	178.5°	179.5°
C31	C30	C29	H48	178.2°	180.0°
C28	C27	C10	C31	1.4°	0.2°
C28	C27	C10	H46	180.0°	179.7°
C28	C27	C10	C9	179.3°	179.7°
C27	C28	C29	H48	179.1°	179.7°
C31	C10	C27	C9	177.9°	180.0°
C31	C10	C9	N8	150.8°	0.0°
C31	C10	C9	O11	29.0°	180.0°
C31	C10	C27	H46	178.6°	180.0°
C10	C31	C30	H49	179.0°	179.7°
C27	C10	C9	N8	31.3°	180.0°
C27	C10	C9	O11	148.9°	0.0°
C10	C27	C28	H47	179.3°	180.0°
C27	C10	C31	H50	179.4°	180.0°
CL1	C24	C23	C25	178.7°	180.0°
CL1	C24	C23	C22	177.2°	180.0°
CL1	C24	C25	C26	177.7°	180.0°
CL1	C24	C23	H43	2.8°	0.0°
CL1	C24	C25	H44	2.3°	0.0°
C10	C9	N8	O11	179.8°	180.0°
C10	C9	N8	C4	173.8°	174.5°
C9	C10	C27	H46	0.7°	0.0°
C10	C9	N8	H35	6.2°	5.5°
C9	C10	C31	H50	1.4°	0.0°
C24	C23	C22	H43	180.0°	180.0°
C24	C23	C22	C21	1.2°	0.0°
C23	C24	C25	C26	1.1°	0.0°
C24	C23	C22	H42	178.8°	180.0°
C23	C24	C25	H44	179.0°	180.0°
C22	C23	C24	C25	1.5°	0.0°
C23	C22	C21	H42	180.0°	180.0°
C23	C22	C21	C26	4.2°	0.0°
C23	C22	C21	C20	165.0°	179.7°
C24	C25	C26	H44	180.0°	180.0°
C24	C25	C26	C21	2.1°	0.0°
C25	C24	C23	H43	178.5°	180.0°
C24	C25	C26	H45	177.9°	179.7°
C9	N8	C4	H35	180.0°	180.0°
C9	N8	C4	C3	62.1°	24.8°
C9	N8	C4	C5	121.7°	155.2°
O11	C9	N8	C4	6.5°	5.5°
O11	C9	N8	H35	173.5°	174.4°
C22	C21	C26	C25	4.6°	0.0°
C22	C21	C26	C20	169.2°	179.7°
C22	C21	C20	O19	43.8°	89.8°
C22	C21	C20	H41	75.6°	30.2°
C22	C21	C20	H40	163.2°	150.3°
C21	C22	C23	H43	178.8°	180.0°
C22	C21	C26	H45	175.4°	179.7°
N8	C4	C5	O19	4.4°	0.1°
N8	C4	C3	C5	176.1°	180.0°
N8	C4	C3	C2	174.1°	180.0°
N8	C4	C5	C6	174.4°	180.0°
N8	C4	C3	H32	6.0°	0.0°
C25	C26	C21	H45	180.0°	179.7°
C25	C26	C21	C20	164.5°	179.8°
C26	C21	C20	O19	125.1°	90.0°
C26	C21	C20	H41	115.5°	150.0°
C26	C21	C20	H40	5.7°	30.0°
C26	C21	C22	H42	175.8°	180.0°
C21	C26	C25	H44	177.9°	180.0°
C21	C20	O19	C5	180.0°	180.0°
C21	C20	O19	H41	119.4°	120.0°
C21	C20	O19	H40	119.4°	120.0°
C21	C20	H41	H40	121.8°	120.0°
C20	C21	C22	H42	15.0°	0.2°
C20	C21	C26	H45	15.5°	0.0°
O19	C5	C4	C3	179.3°	180.0°
O19	C5	C4	C6	178.7°	179.9°
O19	C5	C6	C7	177.5°	180.0°
C5	O19	C20	H41	60.6°	59.9°
C5	O19	C20	H40	60.6°	60.0°
O19	C5	C6	H33	2.5°	0.1°
C20	O19	C5	C4	165.4°	180.0°
C20	O19	C5	C6	16.0°	0.1°
O19	C20	H41	H40	121.8°	119.9°
C4	C3	C2	H32	180.0°	180.0°
C3	C4	C5	C6	2.0°	0.1°
C4	C3	C2	C7	0.9°	0.0°
C4	C3	C2	C12	172.7°	179.7°
C3	C4	N8	H35	117.9°	155.2°
C5	C4	C3	C2	2.1°	0.0°
C4	C5	C6	C7	1.1°	0.1°
C5	C4	C3	H32	177.9°	179.9°
C4	C5	C6	H33	178.9°	180.0°
C5	C4	N8	H35	58.3°	24.8°
C3	C2	C7	C12	173.4°	179.8°
C3	C2	C7	C6	4.0°	0.1°
C3	C2	C12	O13	34.3°	0.3°
C3	C2	C12	N14	145.8°	179.8°
C3	C2	C7	H34	175.9°	179.8°
C5	C6	C7	C2	4.2°	0.1°
C5	C6	C7	H33	180.0°	179.9°
C5	C6	C7	H34	175.8°	179.8°
C2	C7	C6	H34	180.0°	179.7°
C7	C2	C12	O13	139.1°	179.9°
C7	C2	C12	N14	40.7°	0.0°
C7	C2	C3	H32	179.1°	179.9°
C2	C7	C6	H33	175.9°	180.0°
C12	C2	C7	C6	169.4°	179.7°
C2	C12	O13	N14	179.8°	180.0°
C2	C12	N14	C15	169.4°	180.0°
C2	C12	N14	H36	10.6°	0.3°
C12	C2	C3	H32	7.3°	0.3°
C12	C2	C7	H34	10.7°	0.0°
O13	C12	N14	C15	10.8°	0.0°
O13	C12	N14	H36	169.2°	179.8°
C12	N14	C15	H36	180.0°	179.7°
C12	N14	C15	C16	105.1°	179.7°
C12	N14	C15	H37	15.7°	59.7°
C12	N14	C15	H38	134.1°	60.3°
N14	C15	C16	H37	120.8°	120.0°
N14	C15	C16	H38	120.8°	120.0°
N14	C15	C16	O17	155.1°	180.0°
N14	C15	C16	O18	24.7°	0.0°
N14	C15	H37	H38	117.6°	120.0°
C15	C16	O17	O18	179.8°	180.0°
C16	C15	N14	H36	74.9°	0.0°
C16	C15	H37	H38	117.6°	120.0°
C15	C16	O17	H39	179.8°	180.0°
O17	C16	C15	H37	84.1°	60.0°
O17	C16	C15	H38	34.3°	60.0°
O18	C16	C15	H37	96.1°	120.0°
O18	C16	C15	H38	145.5°	120.0°
O18	C16	O17	H39	0.0°	0.0°
H36	N14	C15	H37	164.3°	120.0°
H36	N14	C15	H38	45.9°	120.0°
H42	C22	C23	H43	1.2°	0.0°
H46	C27	C28	H47	0.7°	0.3°
H33	C6	C7	H34	4.2°	0.3°
H44	C25	C26	H45	2.1°	0.3°
H47	C28	C29	H48	0.9°	0.2°
H48	C29	C30	H49	1.8°	0.2°
H49	C30	C31	H50	1.0°	0.2°

Release date:	2016-11-30
Definition date:	2016-10-28
Last modified:	2016-11-25
Release status:	REL
Processing site:	RCSB
Derived from:	5TRK