M8G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C32	C30	doub	1.39Å	1.37Å	Aromatic
C32	C34	sing	1.38Å	1.40Å	Aromatic
C30	C28	sing	1.38Å	1.38Å	Aromatic
C34	C36	doub	1.40Å	1.41Å	Aromatic
C28	C27	doub	1.39Å	1.41Å	Aromatic
C36	C27	sing	1.41Å	1.41Å	Aromatic
C36	C37	sing	1.47Å	1.48Å
C27	N24	sing	1.39Å	1.41Å
O26	C23	doub	1.22Å	1.24Å
C37	C39	doub	1.35Å	1.34Å
C39	C41	sing	1.46Å	1.49Å
C03	C05	doub	1.38Å	1.40Å	Aromatic
C03	C01	sing	1.38Å	1.40Å	Aromatic
C05	C07	sing	1.38Å	1.41Å	Aromatic
N24	C23	sing	1.35Å	1.38Å
C01	C10	doub	1.38Å	1.40Å	Aromatic
C23	C14	sing	1.47Å	1.51Å
N43	C41	sing	1.35Å	1.35Å
N43	O45	sing	1.42Å	1.40Å
C41	O42	doub	1.22Å	1.22Å
C07	C09	doub	1.39Å	1.42Å	Aromatic
C10	C09	sing	1.39Å	1.41Å	Aromatic
C09	O12	sing	1.36Å	1.40Å
C14	C15	doub	1.40Å	1.41Å	Aromatic
C14	C13	sing	1.40Å	1.42Å	Aromatic
C15	C17	sing	1.38Å	1.41Å	Aromatic
O12	C13	sing	1.36Å	1.39Å
C13	C21	doub	1.39Å	1.41Å	Aromatic
C17	C19	doub	1.39Å	1.41Å	Aromatic
C21	C19	sing	1.38Å	1.39Å	Aromatic
C01	H1	sing	1.08Å	1.08Å
C03	H2	sing	1.08Å	1.08Å
C05	H3	sing	1.08Å	1.08Å
C07	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
C15	H6	sing	1.08Å	1.08Å
C17	H7	sing	1.08Å	1.08Å
C19	H8	sing	1.08Å	1.08Å
C21	H9	sing	1.08Å	1.08Å
N24	H10	sing	0.97Å	1.00Å
C28	H11	sing	1.08Å	1.08Å
C30	H12	sing	1.08Å	1.08Å
C32	H13	sing	1.08Å	1.08Å
C34	H14	sing	1.08Å	1.08Å
C37	H15	sing	1.08Å	1.08Å
C39	H16	sing	1.08Å	1.08Å
N43	H17	sing	0.97Å	1.00Å
O45	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C30	C32	C34	120.6°	120.3°
C32	C30	C28	118.4°	120.5°
C32	C30	H12	120.8°	119.7°
C30	C32	H13	119.7°	119.9°
C32	C34	C36	122.3°	119.9°
C34	C32	H13	119.7°	119.8°
C32	C34	H14	118.8°	120.1°
C30	C28	C27	122.1°	120.1°
C30	C28	H11	118.9°	120.0°
C28	C30	H12	120.8°	119.8°
C34	C36	C27	116.1°	119.6°
C34	C36	C37	117.2°	120.2°
C36	C34	H14	118.8°	120.0°
C28	C27	C36	120.4°	119.6°
C28	C27	N24	111.3°	120.1°
C27	C28	H11	119.0°	120.0°
C27	C36	C37	126.7°	120.2°
C36	C27	N24	128.3°	120.2°
C36	C37	C39	126.3°	120.0°
C36	C37	H15	116.9°	120.0°
C27	N24	C23	125.2°	120.0°
C27	N24	H10	117.4°	120.0°
O26	C23	N24	122.6°	120.0°
O26	C23	C14	119.8°	120.0°
C37	C39	C41	120.9°	120.0°
C39	C37	H15	116.9°	120.0°
C37	C39	H16	119.5°	120.0°
C39	C41	N43	112.6°	120.0°
C39	C41	O42	130.0°	120.0°
C41	C39	H16	119.6°	119.9°
C05	C03	C01	120.0°	120.1°
C03	C05	C07	120.0°	120.1°
C05	C03	H2	120.0°	119.9°
C03	C05	H3	120.0°	120.0°
C03	C01	C10	120.2°	120.1°
C03	C01	H1	119.9°	119.9°
C01	C03	H2	120.0°	120.0°
C05	C07	C09	120.7°	119.9°
C07	C05	H3	120.0°	120.0°
C05	C07	H4	119.7°	120.0°
N24	C23	C14	117.6°	120.0°
C23	N24	H10	117.4°	120.0°
C01	C10	C09	120.8°	119.9°
C10	C01	H1	119.9°	120.0°
C01	C10	H5	119.6°	120.0°
C23	C14	C15	116.6°	120.2°
C23	C14	C13	125.7°	120.2°
C41	N43	O45	116.6°	120.0°
N43	C41	O42	117.4°	120.0°
C41	N43	H17	121.7°	120.0°
O45	N43	H17	121.7°	120.0°
N43	O45	H18	109.5°	114.0°
C07	C09	C10	118.4°	119.9°
C07	C09	O12	119.1°	120.0°
C09	C07	H4	119.7°	120.1°
C10	C09	O12	122.5°	120.1°
C09	C10	H5	119.6°	120.1°
C09	O12	C13	121.0°	118.0°
C15	C14	C13	117.7°	119.6°
C14	C15	C17	120.5°	119.9°
C14	C15	H6	119.8°	120.1°
C14	C13	O12	122.1°	120.1°
C14	C13	C21	121.9°	119.7°
C15	C17	C19	121.1°	120.3°
C17	C15	H6	119.8°	120.0°
C15	C17	H7	119.5°	119.9°
O12	C13	C21	116.1°	120.1°
C13	C21	C19	119.8°	120.0°
C13	C21	H9	120.1°	120.0°
C17	C19	C21	119.1°	120.4°
C19	C17	H7	119.5°	119.8°
C17	C19	H8	120.5°	119.8°
C21	C19	H8	120.4°	119.8°
C19	C21	H9	120.1°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C30	C32	C34	H13	180.0°	180.0°
C32	C30	C28	H12	180.0°	180.0°
C30	C32	C34	C36	0.5°	0.3°
C32	C30	C28	C27	0.4°	0.0°
C32	C30	C28	H11	179.6°	180.0°
C30	C32	C34	H14	179.5°	179.9°
C34	C32	C30	C28	0.3°	0.0°
C32	C34	C36	H14	180.0°	179.7°
C32	C34	C36	C27	1.1°	0.6°
C32	C34	C36	C37	178.2°	180.0°
C34	C32	C30	H12	179.7°	180.0°
C30	C28	C27	H11	180.0°	180.0°
C30	C28	C27	C36	0.3°	0.3°
C30	C28	C27	N24	179.7°	180.0°
C28	C30	C32	H13	179.7°	180.0°
C34	C36	C27	C28	1.0°	0.5°
C34	C36	C27	C37	176.8°	179.4°
C34	C36	C27	N24	179.0°	179.7°
C34	C36	C37	C39	37.4°	0.1°
C36	C34	C32	H13	179.6°	179.7°
C34	C36	C37	H15	142.5°	180.0°
C28	C27	C36	N24	180.0°	179.8°
C28	C27	C36	C37	177.8°	179.9°
C28	C27	N24	C23	70.7°	24.9°
C28	C27	N24	H10	109.3°	155.2°
C27	C28	C30	H12	179.6°	180.0°
C27	C36	C37	C39	145.8°	179.5°
C36	C27	N24	C23	109.3°	155.4°
C36	C27	N24	H10	70.7°	24.5°
C36	C27	C28	H11	179.7°	179.7°
C27	C36	C34	H14	178.9°	179.7°
C27	C36	C37	H15	34.2°	0.6°
C37	C36	C27	N24	2.2°	0.3°
C36	C37	C39	H15	180.0°	179.9°
C36	C37	C39	C41	177.3°	180.0°
C37	C36	C34	H14	1.8°	0.3°
C36	C37	C39	H16	2.7°	0.1°
C27	N24	C23	O26	0.1°	5.6°
C27	N24	C23	H10	180.0°	179.9°
C27	N24	C23	C14	179.8°	174.3°
N24	C27	C28	H11	0.3°	0.0°
O26	C23	N24	C14	179.9°	179.9°
O26	C23	C14	C15	27.2°	180.0°
O26	C23	C14	C13	152.3°	0.1°
O26	C23	N24	H10	179.9°	174.3°
C37	C39	C41	H16	180.0°	179.9°
C37	C39	C41	N43	169.9°	180.0°
C37	C39	C41	O42	8.6°	0.0°
C39	C41	N43	O42	178.7°	180.0°
C39	C41	N43	O45	179.4°	180.0°
C41	C39	C37	H15	2.7°	0.1°
C39	C41	N43	H17	0.7°	0.0°
C05	C03	C01	H2	180.0°	179.9°
C03	C05	C07	H3	180.0°	180.0°
C05	C03	C01	C10	0.2°	0.1°
C03	C05	C07	C09	0.2°	0.1°
C05	C03	C01	H1	179.8°	179.8°
C03	C05	C07	H4	179.8°	179.9°
C01	C03	C05	C07	0.2°	0.1°
C03	C01	C10	H1	180.0°	179.7°
C03	C01	C10	C09	0.5°	0.1°
C01	C03	C05	H3	179.8°	180.0°
C03	C01	C10	H5	179.5°	179.7°
C05	C07	C09	H4	180.0°	179.9°
C05	C07	C09	C10	0.1°	0.1°
C05	C07	C09	O12	179.2°	180.0°
C07	C05	C03	H2	179.8°	180.0°
N24	C23	C14	C15	152.9°	0.1°
N24	C23	C14	C13	27.6°	180.0°
C01	C10	C09	C07	0.5°	0.1°
C01	C10	C09	H5	180.0°	179.8°
C01	C10	C09	O12	179.5°	180.0°
C10	C01	C03	H2	179.8°	180.0°
C23	C14	C15	C13	179.5°	180.0°
C23	C14	C15	C17	178.6°	180.0°
C23	C14	C13	O12	0.2°	0.4°
C23	C14	C13	C21	179.0°	180.0°
C23	C14	C15	H6	1.4°	0.0°
C14	C23	N24	H10	0.2°	5.8°
C41	N43	O45	H17	180.0°	179.9°
N43	C41	C39	H16	10.1°	0.0°
C41	N43	O45	H18	1.0°	180.0°
O45	N43	C41	O42	2.0°	0.0°
O42	C41	C39	H16	171.4°	180.0°
O42	C41	N43	H17	178.0°	180.0°
C07	C09	C10	O12	179.0°	179.9°
C07	C09	O12	C13	11.1°	65.5°
C09	C07	C05	H3	179.8°	180.0°
C07	C09	C10	H5	179.5°	179.7°
C10	C09	O12	C13	167.9°	114.4°
C09	C10	C01	H1	179.5°	179.8°
C10	C09	C07	H4	179.9°	180.0°
C09	O12	C13	C14	71.2°	174.5°
C09	O12	C13	C21	108.1°	5.1°
O12	C09	C07	H4	0.8°	0.1°
O12	C09	C10	H5	0.5°	0.2°
C14	C15	C17	H6	180.0°	180.0°
C15	C14	C13	O12	179.7°	179.7°
C15	C14	C13	C21	0.5°	0.1°
C14	C15	C17	C19	0.5°	0.0°
C14	C15	C17	H7	179.5°	180.0°
C13	C14	C15	C17	0.9°	0.0°
C14	C13	O12	C21	179.3°	179.6°
C14	C13	C21	C19	0.4°	0.1°
C13	C14	C15	H6	179.1°	180.0°
C14	C13	C21	H9	179.6°	180.0°
C15	C17	C19	H7	180.0°	179.9°
C15	C17	C19	C21	0.3°	0.1°
C15	C17	C19	H8	179.7°	179.9°
O12	C13	C21	C19	178.9°	179.7°
O12	C13	C21	H9	1.1°	0.4°
C13	C21	C19	C17	0.7°	0.1°
C13	C21	C19	H9	180.0°	179.9°
C13	C21	C19	H8	179.3°	179.9°
C17	C19	C21	H8	180.0°	180.0°
C19	C17	C15	H6	179.5°	180.0°
C17	C19	C21	H9	179.2°	180.0°
C21	C19	C17	H7	179.7°	180.0°
H1	C01	C03	H2	0.1°	0.4°
H1	C01	C10	H5	0.5°	0.0°
H2	C03	C05	H3	0.2°	0.1°
H3	C05	C07	H4	0.2°	0.1°
H6	C15	C17	H7	0.5°	0.1°
H7	C17	C19	H8	0.3°	0.0°
H8	C19	C21	H9	0.7°	0.0°
H11	C28	C30	H12	0.4°	0.0°
H12	C30	C32	H13	0.3°	0.0°
H13	C32	C34	H14	0.5°	0.0°
H15	C37	C39	H16	177.3°	180.0°
H17	N43	O45	H18	179.0°	0.1°

Release date:	2020-04-01
Definition date:	2019-03-27
Last modified:	2020-03-27
Release status:	REL
Processing site:	RCSB
Derived from:	6ODB