GOQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	N	sing	1.22Å	1.39Å
O5	C16	doub	1.22Å	1.23Å
O6	C16	sing	1.35Å	1.31Å
N	O1	doub	1.22Å	1.39Å
N	C8	sing	1.48Å	1.40Å
C16	C11	sing	1.47Å	1.49Å
C8	C9	doub	1.35Å	1.38Å	Aromatic
C8	C7	sing	1.41Å	1.50Å	Aromatic
C11	C7	doub	1.42Å	1.52Å	Aromatic
C11	C12	sing	1.39Å	1.39Å	Aromatic
C	O	sing	1.43Å	1.43Å
C9	C10	sing	1.41Å	1.40Å	Aromatic
C7	C6	sing	1.41Å	1.49Å	Aromatic
C12	C13	doub	1.39Å	1.37Å	Aromatic
O	C1	sing	1.36Å	1.36Å
C10	C1	doub	1.41Å	1.48Å	Aromatic
C10	C5	sing	1.41Å	1.46Å	Aromatic
C6	C5	sing	1.47Å	1.48Å	Aromatic
C6	C14	doub	1.40Å	1.45Å	Aromatic
C13	C14	sing	1.39Å	1.44Å	Aromatic
C13	O4	sing	1.37Å	1.34Å
C1	C2	sing	1.38Å	1.39Å	Aromatic
C5	C4	doub	1.40Å	1.40Å	Aromatic
C14	O3	sing	1.36Å	1.35Å
O4	C15	sing	1.44Å	1.45Å
C2	C3	doub	1.39Å	1.41Å	Aromatic
C4	C3	sing	1.38Å	1.39Å	Aromatic
O3	C15	sing	1.44Å	1.43Å
C	H1	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H3	sing	1.09Å	1.10Å
C12	H4	sing	1.08Å	1.08Å
C15	H5	sing	1.09Å	1.10Å
C15	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.08Å	1.08Å
C3	H8	sing	1.08Å	1.08Å
C4	H9	sing	1.08Å	1.08Å
C9	H10	sing	1.08Å	1.08Å
O6	H11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	N	O1	119.1°	119.9°
O2	N	C8	127.4°	120.0°
O5	C16	O6	118.5°	120.0°
O5	C16	C11	117.8°	120.0°
O6	C16	C11	123.4°	120.0°
C16	O6	H11	109.5°	117.0°
O1	N	C8	113.0°	120.0°
N	C8	C9	116.0°	119.3°
N	C8	C7	124.7°	119.2°
C16	C11	C7	125.2°	120.1°
C16	C11	C12	113.1°	120.2°
C9	C8	C7	119.0°	121.4°
C8	C9	C10	125.0°	121.4°
C8	C9	H10	117.5°	119.3°
C8	C7	C11	125.9°	120.8°
C8	C7	C6	116.2°	120.0°
C7	C11	C12	121.7°	119.7°
C11	C7	C6	117.9°	119.2°
C11	C12	C13	119.2°	120.7°
C11	C12	H4	120.4°	119.7°
C	O	C1	126.3°	117.0°
O	C	H1	109.5°	109.5°
O	C	H2	109.4°	109.5°
O	C	H3	109.4°	109.5°
C9	C10	C1	120.6°	120.9°
C9	C10	C5	121.5°	119.8°
C10	C9	H10	117.5°	119.3°
C7	C6	C5	122.9°	118.7°
C7	C6	C14	116.8°	120.1°
C12	C13	C14	123.7°	120.5°
C12	C13	O4	129.1°	130.9°
C13	C12	H4	120.4°	119.7°
O	C1	C10	118.3°	120.2°
O	C1	C2	122.3°	120.2°
C1	C10	C5	117.9°	119.3°
C10	C1	C2	119.3°	119.6°
C10	C5	C6	115.4°	118.7°
C10	C5	C4	119.9°	119.9°
C5	C6	C14	120.3°	121.3°
C6	C5	C4	124.7°	121.4°
C6	C14	C13	120.7°	119.9°
C6	C14	O3	129.1°	131.4°
C14	C13	O4	107.1°	108.6°
C13	C14	O3	110.2°	108.7°
C13	O4	C15	105.6°	105.4°
C1	C2	C3	120.3°	120.7°
C1	C2	H7	119.8°	119.6°
C5	C4	C3	120.0°	119.8°
C5	C4	H9	120.0°	120.1°
C14	O3	C15	103.9°	105.5°
O4	C15	O3	106.0°	103.6°
O4	C15	H5	110.3°	110.6°
O4	C15	H6	110.3°	110.7°
C2	C3	C4	122.5°	120.7°
C3	C2	H7	119.8°	119.7°
C2	C3	H8	118.8°	119.6°
C4	C3	H8	118.7°	119.7°
C3	C4	H9	120.0°	120.1°
O3	C15	H5	110.3°	110.6°
O3	C15	H6	110.3°	110.6°
H1	C	H2	109.5°	109.5°
H1	C	H3	109.5°	109.4°
H2	C	H3	109.5°	109.4°
H5	C15	H6	109.5°	110.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	N	O1	C8	172.8°	179.8°
O2	N	C8	C9	50.1°	66.1°
O2	N	C8	C7	136.8°	113.9°
O5	C16	O6	C11	173.0°	180.0°
O5	C16	C11	C7	55.0°	65.3°
O5	C16	C11	C12	122.2°	114.6°
O5	C16	O6	H11	0.0°	0.0°
O6	C16	C11	C7	132.0°	114.7°
O6	C16	C11	C12	50.8°	65.4°
O1	N	C8	C9	121.9°	114.1°
O1	N	C8	C7	51.1°	65.9°
N	C8	C9	C7	173.5°	180.0°
N	C8	C7	C11	6.5°	0.1°
N	C8	C9	C10	176.1°	180.0°
N	C8	C7	C6	175.0°	180.0°
N	C8	C9	H10	3.9°	0.0°
C16	C11	C7	C8	1.2°	0.2°
C16	C11	C7	C12	177.0°	179.9°
C16	C11	C7	C6	177.3°	180.0°
C16	C11	C12	C13	177.0°	179.9°
C16	C11	C12	H4	3.0°	0.0°
C11	C16	O6	H11	173.0°	180.0°
C9	C8	C7	C11	179.4°	179.9°
C8	C9	C10	H10	180.0°	180.0°
C9	C8	C7	C6	2.1°	0.0°
C8	C9	C10	C1	177.9°	180.0°
C8	C9	C10	C5	1.3°	0.1°
C8	C7	C11	C6	178.4°	179.9°
C8	C7	C11	C12	178.2°	179.9°
C7	C8	C9	C10	2.6°	0.0°
C8	C7	C6	C5	0.7°	0.1°
C8	C7	C6	C14	177.6°	180.0°
C7	C8	C9	H10	177.4°	180.0°
C7	C11	C12	C13	0.3°	0.0°
C11	C7	C6	C5	179.3°	180.0°
C11	C7	C6	C14	1.0°	0.1°
C7	C11	C12	H4	179.7°	179.9°
C12	C11	C7	C6	0.2°	0.1°
C11	C12	C13	H4	180.0°	180.0°
C11	C12	C13	C14	0.1°	0.0°
C11	C12	C13	O4	177.0°	179.9°
C	O	C1	C10	89.1°	179.7°
C	O	C1	C2	95.1°	0.1°
O	C	H1	H2	120.0°	120.0°
O	C	H1	H3	120.0°	120.0°
O	C	H2	H3	120.0°	120.0°
C9	C10	C1	O	2.5°	0.1°
C9	C10	C1	C5	179.2°	179.9°
C9	C10	C5	C6	0.2°	0.1°
C9	C10	C1	C2	178.3°	179.8°
C9	C10	C5	C4	179.5°	179.9°
C7	C6	C5	C10	0.5°	0.1°
C7	C6	C5	C14	178.2°	180.0°
C7	C6	C14	C13	1.3°	0.1°
C7	C6	C5	C4	179.7°	180.0°
C7	C6	C14	O3	178.4°	179.9°
C12	C13	C14	C6	0.8°	0.1°
C12	C13	C14	O4	177.5°	180.0°
C12	C13	C14	O3	178.4°	179.9°
C12	C13	O4	C15	162.0°	162.7°
O	C1	C10	C2	175.9°	179.6°
O	C1	C10	C5	178.3°	179.9°
O	C1	C2	C3	178.2°	180.0°
C1	O	C	H1	180.0°	60.0°
C1	O	C	H2	60.0°	60.1°
C1	O	C	H3	60.0°	180.0°
O	C1	C2	H7	1.8°	0.1°
C1	C10	C5	C6	179.5°	179.9°
C1	C10	C5	C4	1.3°	0.0°
C10	C1	C2	C3	2.5°	0.3°
C10	C1	C2	H7	177.5°	179.7°
C1	C10	C9	H10	2.1°	0.0°
C10	C5	C6	C4	179.2°	179.9°
C10	C5	C6	C14	178.6°	179.9°
C5	C10	C1	C2	2.4°	0.3°
C10	C5	C4	C3	0.3°	0.2°
C10	C5	C4	H9	179.7°	180.0°
C5	C10	C9	H10	178.7°	179.9°
C5	C6	C14	C13	179.6°	180.0°
C5	C6	C14	O3	3.3°	0.0°
C6	C5	C4	C3	179.4°	179.7°
C6	C5	C4	H9	0.6°	0.1°
C6	C14	C13	O3	177.6°	180.0°
C6	C14	C13	O4	176.7°	179.9°
C14	C6	C5	C4	2.2°	0.0°
C6	C14	O3	C15	160.5°	162.5°
C14	C13	O4	C15	15.3°	17.3°
C13	C14	O3	C15	16.8°	17.5°
C14	C13	C12	H4	179.9°	179.9°
O4	C13	C14	O3	0.9°	0.1°
C13	O4	C15	O3	25.8°	27.2°
O4	C13	C12	H4	3.0°	0.1°
C13	O4	C15	H5	145.3°	91.4°
C13	O4	C15	H6	93.6°	145.8°
C1	C2	C3	H7	180.0°	180.0°
C1	C2	C3	C4	1.5°	0.1°
C1	C2	C3	H8	178.5°	180.0°
C5	C4	C3	C2	0.3°	0.2°
C5	C4	C3	H9	180.0°	179.7°
C5	C4	C3	H8	179.7°	179.7°
C14	O3	C15	O4	25.8°	27.3°
C14	O3	C15	H5	145.2°	91.3°
C14	O3	C15	H6	93.7°	146.0°
O4	C15	O3	H5	119.4°	118.6°
O4	C15	O3	H6	119.5°	118.7°
O4	C15	H5	H6	121.6°	123.0°
C2	C3	C4	H8	180.0°	179.9°
C2	C3	C4	H9	179.7°	180.0°
C4	C3	C2	H7	178.5°	180.0°
O3	C15	H5	H6	121.6°	122.8°
H1	C	H2	H3	120.0°	120.0°
H7	C2	C3	H8	1.5°	0.0°
H8	C3	C4	H9	0.3°	0.0°

Release date:	2019-10-23
Definition date:	2018-10-02
Last modified:	2019-10-18
Release status:	REL
Processing site:	RCSB
Derived from:	6HSC