J8G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O30	C2	sing	1.36Å	1.36Å
C1	C2	doub	1.38Å	1.40Å	Aromatic
C1	C6	sing	1.39Å	1.39Å	Aromatic
C2	C3	sing	1.40Å	1.40Å	Aromatic
O13	C9	doub	1.22Å	1.23Å
C01	O29	sing	1.43Å	1.22Å
C3	C9	sing	1.47Å	1.41Å
C3	C4	doub	1.41Å	1.40Å	Aromatic
C6	O29	sing	1.36Å	1.37Å
C6	C5	doub	1.39Å	1.39Å	Aromatic
C9	C10	sing	1.42Å	1.39Å
C4	C5	sing	1.39Å	1.40Å	Aromatic
C4	O12	sing	1.35Å	1.38Å
C10	O27	sing	1.36Å	1.36Å
C10	C11	doub	1.36Å	1.40Å
O12	C11	sing	1.34Å	1.38Å
C11	C14	sing	1.47Å	1.40Å
C14	C15	doub	1.40Å	1.41Å	Aromatic
C14	C19	sing	1.40Å	1.40Å	Aromatic
C15	C16	sing	1.38Å	1.40Å	Aromatic
C19	C18	doub	1.38Å	1.39Å	Aromatic
C16	C17	doub	1.39Å	1.39Å	Aromatic
C18	C17	sing	1.39Å	1.40Å	Aromatic
C18	O23	sing	1.36Å	1.36Å
C17	O24	sing	1.36Å	1.37Å
C1	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C19	H3	sing	1.08Å	1.08Å
O23	H4	sing	0.97Å	0.95Å
O24	H5	sing	0.97Å	0.95Å
C16	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.08Å	1.08Å
C01	H8	sing	1.09Å	1.10Å
C01	H9	sing	1.09Å	1.10Å
C01	H10	sing	1.09Å	1.10Å
O30	H11	sing	0.97Å	0.95Å
O27	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O30	C2	C1	120.9°	120.3°
O30	C2	C3	117.2°	120.2°
C2	O30	H11	109.5°	114.0°
C2	C1	C6	120.3°	120.2°
C1	C2	C3	121.9°	119.5°
C2	C1	H1	119.8°	119.9°
C1	C6	O29	121.1°	119.6°
C1	C6	C5	118.5°	120.6°
C6	C1	H1	119.9°	119.9°
C2	C3	C9	123.1°	121.3°
C2	C3	C4	116.9°	120.2°
O13	C9	C3	122.3°	121.3°
O13	C9	C10	119.5°	121.3°
C01	O29	C6	142.7°	117.0°
O29	C01	H8	109.5°	109.5°
O29	C01	H9	109.5°	109.5°
O29	C01	H10	109.5°	109.5°
C9	C3	C4	120.1°	118.5°
C3	C9	C10	118.2°	117.4°
C3	C4	C5	121.5°	119.4°
C3	C4	O12	119.2°	119.9°
O29	C6	C5	120.4°	119.7°
C6	C5	C4	120.9°	120.1°
C6	C5	H2	119.6°	120.0°
C9	C10	O27	117.7°	120.3°
C9	C10	C11	122.2°	119.4°
C5	C4	O12	119.3°	120.7°
C4	C5	H2	119.6°	120.0°
C4	O12	C11	122.5°	122.3°
O27	C10	C11	120.1°	120.3°
C10	O27	H12	109.5°	114.0°
C10	C11	O12	117.7°	122.4°
C10	C11	C14	126.9°	118.8°
O12	C11	C14	115.4°	118.8°
C11	C14	C15	121.3°	120.1°
C11	C14	C19	119.4°	120.0°
C15	C14	C19	119.3°	119.9°
C14	C15	C16	120.9°	120.0°
C14	C15	H7	119.6°	120.0°
C14	C19	C18	119.7°	119.8°
C14	C19	H3	120.2°	120.1°
C15	C16	C17	119.5°	120.1°
C15	C16	H6	120.2°	119.9°
C16	C15	H7	119.6°	120.0°
C19	C18	C17	120.8°	120.0°
C19	C18	O23	121.4°	120.0°
C18	C19	H3	120.1°	120.1°
C16	C17	C18	119.9°	120.2°
C16	C17	O24	122.0°	119.9°
C17	C16	H6	120.3°	119.9°
C17	C18	O23	117.9°	120.0°
C18	C17	O24	118.0°	119.9°
C18	O23	H4	109.5°	114.0°
C17	O24	H5	109.5°	114.0°
H8	C01	H9	109.5°	109.4°
H8	C01	H10	109.5°	109.4°
H9	C01	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O30	C2	C1	C3	179.6°	179.9°
O30	C2	C1	C6	179.9°	180.0°
O30	C2	C3	C9	0.4°	0.0°
O30	C2	C3	C4	179.8°	180.0°
O30	C2	C1	H1	0.1°	0.3°
C2	C1	C6	H1	180.0°	179.7°
C1	C2	C3	C9	179.9°	180.0°
C1	C2	C3	C4	0.6°	0.0°
C2	C1	C6	O29	179.6°	179.9°
C2	C1	C6	C5	0.4°	0.0°
C1	C2	O30	H11	179.4°	90.0°
C6	C1	C2	C3	0.5°	0.0°
C1	C6	O29	C01	21.7°	0.1°
C1	C6	O29	C5	180.0°	179.9°
C1	C6	C5	C4	0.4°	0.1°
C1	C6	C5	H2	179.6°	180.0°
C2	C3	C9	O13	1.5°	0.1°
C2	C3	C9	C4	179.4°	180.0°
C2	C3	C9	C10	178.4°	180.0°
C2	C3	C4	C5	0.5°	0.0°
C2	C3	C4	O12	179.2°	180.0°
C3	C2	C1	H1	179.5°	179.7°
C3	C2	O30	H11	0.2°	90.0°
O13	C9	C3	C10	179.9°	179.9°
O13	C9	C3	C4	179.2°	179.9°
O13	C9	C10	O27	0.1°	0.0°
O13	C9	C10	C11	179.2°	179.9°
C01	O29	C6	C5	158.3°	180.0°
O29	C01	H8	H9	120.0°	120.0°
O29	C01	H8	H10	120.0°	120.0°
O29	C01	H9	H10	120.0°	120.1°
C9	C3	C4	C5	179.9°	180.0°
C9	C3	C4	O12	0.2°	0.0°
C3	C9	C10	O27	179.8°	179.9°
C3	C9	C10	C11	0.9°	0.0°
C3	C4	C5	C6	0.4°	0.1°
C4	C3	C9	C10	1.0°	0.0°
C3	C4	C5	O12	179.7°	180.0°
C3	C4	O12	C11	0.7°	0.0°
C3	C4	C5	H2	179.6°	180.0°
O29	C6	C5	C4	179.6°	180.0°
O29	C6	C1	H1	0.5°	0.2°
O29	C6	C5	H2	0.4°	0.1°
C6	O29	C01	H8	180.0°	60.0°
C6	O29	C01	H9	60.0°	59.9°
C6	O29	C01	H10	60.0°	180.0°
C6	C5	C4	H2	180.0°	179.9°
C6	C5	C4	O12	179.3°	180.0°
C5	C6	C1	H1	179.6°	179.7°
C9	C10	O27	C11	179.3°	179.9°
C9	C10	C11	O12	0.1°	0.0°
C9	C10	C11	C14	178.4°	179.9°
C9	C10	O27	H12	0.1°	0.1°
C5	C4	O12	C11	179.1°	180.0°
C4	O12	C11	C10	0.7°	0.0°
C4	O12	C11	C14	177.8°	180.0°
O12	C4	C5	H2	0.7°	0.0°
O27	C10	C11	O12	179.4°	179.9°
O27	C10	C11	C14	2.3°	0.0°
C10	C11	O12	C14	178.5°	180.0°
C10	C11	C14	C15	42.9°	132.6°
C10	C11	C14	C19	139.5°	48.0°
C11	C10	O27	H12	179.2°	179.9°
O12	C11	C14	C15	135.4°	47.4°
O12	C11	C14	C19	42.2°	132.0°
C11	C14	C15	C19	177.6°	179.4°
C11	C14	C15	C16	179.0°	180.0°
C11	C14	C19	C18	178.9°	180.0°
C11	C14	C19	H3	1.1°	0.3°
C11	C14	C15	H7	1.0°	0.3°
C14	C15	C16	H7	180.0°	179.7°
C15	C14	C19	C18	1.3°	0.5°
C14	C15	C16	C17	0.9°	0.4°
C15	C14	C19	H3	178.7°	179.7°
C14	C15	C16	H6	179.1°	179.8°
C19	C14	C15	C16	1.5°	0.6°
C14	C19	C18	H3	180.0°	179.7°
C14	C19	C18	C17	0.5°	0.2°
C14	C19	C18	O23	179.4°	179.7°
C19	C14	C15	H7	178.5°	179.7°
C15	C16	C17	H6	180.0°	179.9°
C15	C16	C17	C18	0.1°	0.1°
C15	C16	C17	O24	179.9°	179.9°
C19	C18	C17	C16	0.0°	0.0°
C19	C18	C17	O23	180.0°	180.0°
C19	C18	C17	O24	179.9°	180.0°
C19	C18	O23	H4	180.0°	90.0°
C16	C17	C18	O24	179.9°	180.0°
C16	C17	C18	O23	180.0°	180.0°
C16	C17	O24	H5	180.0°	90.0°
C17	C16	C15	H7	179.1°	179.9°
C17	C18	C19	H3	179.5°	179.9°
C17	C18	O23	H4	0.0°	89.9°
C18	C17	O24	H5	0.1°	90.0°
C18	C17	C16	H6	179.8°	179.9°
O23	C18	C17	O24	0.0°	0.0°
O23	C18	C19	H3	0.6°	0.0°
O24	C17	C16	H6	0.1°	0.1°
H6	C16	C15	H7	0.9°	0.1°
H8	C01	H9	H10	120.0°	119.9°

Release date:	2019-01-23
Definition date:	2018-08-22
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	6M8E