MBE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O7	N1	sing	1.22Å	1.38Å
O8	N1	doub	1.22Å	1.38Å
N1	C10	sing	1.48Å	1.39Å
C10	C11	doub	1.38Å	1.38Å	Aromatic
C10	C9	sing	1.38Å	1.38Å	Aromatic
C11	C12	sing	1.38Å	1.38Å	Aromatic
C9	C8	doub	1.38Å	1.38Å	Aromatic
C12	C7	doub	1.39Å	1.38Å	Aromatic
C8	C7	sing	1.39Å	1.39Å	Aromatic
C7	O1	sing	1.36Å	1.36Å
O1	C1	sing	1.43Å	1.42Å
C1	O5	sing	1.43Å	1.43Å
C1	C2	sing	1.53Å	1.52Å
O5	C5	sing	1.43Å	1.43Å
C2	O2	sing	1.43Å	1.43Å
C2	C3	sing	1.53Å	1.52Å
C5	C6	sing	1.53Å	1.52Å
C5	C4	sing	1.53Å	1.53Å
C3	C4	sing	1.53Å	1.54Å
C3	O3	sing	1.43Å	1.43Å
C6	O6	sing	1.43Å	1.44Å
C4	O4	sing	1.43Å	1.44Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C11	H10	sing	1.08Å	1.08Å
C12	H11	sing	1.08Å	1.08Å
O2	HO2	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O7	N1	O8	121.5°	120.0°
O7	N1	C10	118.9°	120.0°
O8	N1	C10	119.6°	120.0°
N1	C10	C11	117.6°	119.9°
N1	C10	C9	121.1°	120.0°
C11	C10	C9	121.3°	120.1°
C10	C11	C12	120.0°	120.0°
C10	C11	H10	120.0°	120.0°
C10	C9	C8	118.9°	120.1°
C10	C9	H9	120.6°	119.9°
C11	C12	C7	119.1°	120.0°
C12	C11	H10	120.0°	120.0°
C11	C12	H11	120.5°	120.0°
C9	C8	C7	119.6°	119.9°
C9	C8	H8	120.2°	120.0°
C8	C9	H9	120.5°	120.0°
C12	C7	C8	121.1°	119.9°
C12	C7	O1	117.6°	120.1°
C7	C12	H11	120.5°	120.0°
C8	C7	O1	121.3°	120.1°
C7	C8	H8	120.2°	120.0°
C7	O1	C1	120.2°	117.0°
O1	C1	O5	106.6°	109.4°
O1	C1	C2	106.8°	109.5°
O1	C1	H1	111.2°	109.5°
O5	C1	C2	111.4°	109.4°
C1	O5	C5	113.0°	114.1°
O5	C1	H1	111.1°	109.5°
C1	C2	O2	109.6°	109.5°
C1	C2	C3	109.3°	109.2°
C2	C1	H1	109.7°	109.5°
C1	C2	H2	109.0°	109.5°
O5	C5	C6	107.2°	109.5°
O5	C5	C4	109.2°	109.4°
O5	C5	H5	110.1°	109.5°
O2	C2	C3	109.8°	109.6°
O2	C2	H2	110.2°	109.5°
C2	O2	HO2	109.5°	114.0°
C2	C3	C4	109.7°	109.0°
C2	C3	O3	109.2°	109.6°
C3	C2	H2	109.0°	109.5°
C2	C3	H3	108.4°	109.6°
C6	C5	C4	113.1°	109.5°
C5	C6	O6	111.7°	109.5°
C6	C5	H5	108.7°	109.4°
C5	C6	H61	108.9°	109.5°
C5	C6	H62	108.9°	109.5°
C5	C4	C3	111.0°	109.2°
C5	C4	O4	109.6°	109.5°
C5	C4	H4	108.6°	109.6°
C4	C5	H5	108.6°	109.5°
C4	C3	O3	111.8°	109.6°
C3	C4	O4	109.1°	109.5°
C4	C3	H3	108.2°	109.5°
C3	C4	H4	108.6°	109.5°
O3	C3	H3	109.5°	109.6°
C3	O3	HO3	109.5°	114.0°
O6	C6	H61	108.9°	109.5°
O6	C6	H62	108.9°	109.5°
C6	O6	HO6	109.5°	114.1°
O4	C4	H4	109.9°	109.5°
C4	O4	HO4	109.5°	114.0°
H61	C6	H62	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O7	N1	O8	C10	178.0°	179.9°
O7	N1	C10	C11	0.4°	0.0°
O7	N1	C10	C9	179.9°	179.7°
O8	N1	C10	C11	177.7°	180.0°
O8	N1	C10	C9	2.0°	0.3°
N1	C10	C11	C9	179.7°	179.7°
N1	C10	C11	C12	179.7°	180.0°
N1	C10	C9	C8	179.6°	179.7°
N1	C10	C9	H9	0.3°	0.3°
N1	C10	C11	H10	0.3°	0.2°
C10	C11	C12	H10	180.0°	179.8°
C11	C10	C9	C8	0.0°	0.0°
C10	C11	C12	C7	0.6°	0.5°
C11	C10	C9	H9	180.0°	180.0°
C10	C11	C12	H11	179.4°	180.0°
C9	C10	C11	C12	0.6°	0.3°
C10	C9	C8	H9	180.0°	180.0°
C10	C9	C8	C7	0.6°	0.0°
C10	C9	C8	H8	179.3°	180.0°
C9	C10	C11	H10	179.3°	179.9°
C11	C12	C7	H11	180.0°	179.5°
C11	C12	C7	C8	0.0°	0.5°
C11	C12	C7	O1	179.9°	179.7°
C9	C8	C7	C12	0.6°	0.2°
C9	C8	C7	H8	180.0°	180.0°
C9	C8	C7	O1	179.5°	180.0°
C12	C7	C8	O1	179.9°	179.8°
C12	C7	O1	C1	168.9°	0.2°
C12	C7	C8	H8	179.3°	179.8°
C7	C12	C11	H10	179.3°	179.7°
C8	C7	O1	C1	11.2°	180.0°
C7	C8	C9	H9	179.4°	180.0°
C8	C7	C12	H11	180.0°	180.0°
C7	O1	C1	O5	79.4°	65.1°
C7	O1	C1	C2	161.5°	175.1°
C7	O1	C1	H1	41.8°	54.9°
O1	C7	C8	H8	0.5°	0.0°
O1	C7	C12	H11	0.1°	0.2°
O1	C1	O5	C2	116.1°	120.0°
O1	C1	O5	H1	121.3°	120.0°
O1	C1	C2	H1	120.6°	120.1°
O1	C1	O5	C5	177.9°	178.9°
O1	C1	C2	O2	52.6°	57.6°
O1	C1	C2	C3	173.0°	177.6°
O1	C1	C2	H2	68.0°	62.5°
O5	C1	C2	H1	123.4°	120.0°
O5	C1	C2	O2	63.4°	62.3°
O5	C1	C2	C3	57.0°	57.6°
C1	O5	C5	C6	176.9°	178.8°
C1	O5	C5	C4	60.2°	61.2°
O5	C1	C2	H2	176.0°	177.6°
C1	O5	C5	H5	58.9°	58.8°
C2	C1	O5	C5	61.8°	61.2°
C1	C2	O2	C3	120.1°	119.8°
C1	C2	O2	H2	119.9°	120.1°
C1	C2	C3	H2	119.0°	119.9°
C1	C2	C3	C4	53.4°	57.0°
C1	C2	C3	O3	176.2°	176.9°
C1	C2	C3	H3	64.6°	62.8°
C1	C2	O2	HO2	180.0°	60.0°
O5	C5	C6	C4	120.4°	119.9°
O5	C5	C6	H5	118.9°	120.0°
O5	C5	C4	H5	120.0°	120.0°
O5	C5	C4	C3	56.1°	57.6°
O5	C5	C6	O6	59.3°	65.0°
O5	C5	C4	O4	176.7°	177.5°
C5	O5	C1	H1	60.8°	58.8°
O5	C5	C4	H4	63.2°	62.3°
O5	C5	C6	H61	61.1°	174.9°
O5	C5	C6	H62	179.6°	55.0°
O2	C2	C3	H2	120.7°	120.1°
O2	C2	C3	C4	66.9°	63.0°
O2	C2	C3	O3	55.9°	56.9°
O2	C2	C1	H1	173.2°	177.7°
O2	C2	C3	H3	175.1°	177.2°
C2	C3	C4	C5	54.0°	57.0°
C2	C3	C4	O3	121.3°	119.9°
C2	C3	C4	H3	118.1°	119.9°
C2	C3	O3	H3	118.6°	120.3°
C2	C3	C4	O4	174.9°	176.9°
C3	C2	C1	H1	66.4°	62.3°
C2	C3	C4	H4	65.3°	63.0°
C3	C2	O2	HO2	59.9°	179.7°
C2	C3	O3	HO3	180.0°	60.0°
C6	C5	C4	H5	120.8°	120.0°
C6	C5	C4	C3	175.4°	177.6°
C5	C6	O6	H61	120.3°	120.0°
C5	C6	O6	H62	120.3°	120.0°
C6	C5	C4	O4	64.1°	62.5°
C6	C5	C4	H4	56.0°	57.7°
C5	C6	H61	H62	119.0°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
C5	C4	C3	O4	120.9°	119.9°
C5	C4	C3	H4	119.3°	120.0°
C5	C4	C3	O3	175.3°	176.8°
C4	C5	C6	O6	61.1°	175.0°
C5	C4	O4	H4	119.3°	120.2°
C5	C4	C3	H3	64.0°	62.9°
C4	C5	C6	H61	178.6°	55.0°
C4	C5	C6	H62	59.2°	65.0°
C5	C4	O4	HO4	180.0°	179.7°
C4	C3	O3	H3	119.9°	120.2°
C3	C4	O4	H4	119.0°	120.1°
C4	C3	C2	H2	172.3°	176.9°
C3	C4	C5	H5	63.9°	62.4°
C4	C3	O3	HO3	58.5°	179.5°
C3	C4	O4	HO4	58.3°	60.0°
O3	C3	C4	O4	63.8°	63.2°
O3	C3	C2	H2	64.9°	63.2°
O3	C3	C4	H4	55.9°	56.8°
O6	C6	C5	H5	178.2°	55.0°
O6	C6	H61	H62	119.0°	120.0°
O4	C4	C3	H3	56.8°	57.0°
O4	C4	C5	H5	56.7°	57.5°
H1	C1	C2	H2	52.6°	57.6°
H2	C2	C3	H3	54.4°	57.1°
H2	C2	O2	HO2	60.1°	60.1°
H3	C3	C4	H4	176.6°	177.1°
H3	C3	O3	HO3	61.4°	60.2°
H4	C4	C5	H5	176.8°	177.6°
H4	C4	O4	HO4	60.7°	60.1°
H5	C5	C6	H61	57.9°	65.1°
H5	C5	C6	H62	61.5°	175.0°
H61	C6	O6	HO6	59.7°	60.0°
H62	C6	O6	HO6	59.7°	60.0°
H8	C8	C9	H9	0.6°	0.1°
H10	C11	C12	H11	0.7°	0.2°

Release date:	2016-08-10
Definition date:	2016-07-07
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	5GGK