G8H

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C5	doub	1.32Å	1.35Å	Aromatic
N1	C1	sing	1.32Å	1.34Å	Aromatic
C7	C6	sing	1.51Å	1.51Å
C7	C8	sing	1.51Å	1.51Å
N2	C1	sing	1.39Å	1.40Å
N2	C6	sing	1.35Å	1.36Å
C5	C4	sing	1.38Å	1.37Å	Aromatic
C1	C2	doub	1.39Å	1.40Å	Aromatic
C6	O1	doub	1.21Å	1.22Å
C4	C3	doub	1.39Å	1.38Å	Aromatic
C2	C3	sing	1.38Å	1.37Å	Aromatic
C9	C8	doub	1.39Å	1.41Å	Aromatic
C9	C10	sing	1.36Å	1.37Å	Aromatic
C8	C13	sing	1.36Å	1.38Å	Aromatic
C10	C11	doub	1.41Å	1.41Å	Aromatic
C13	C12	doub	1.41Å	1.42Å	Aromatic
C11	C12	sing	1.42Å	1.42Å	Aromatic
C11	C14	sing	1.40Å	1.42Å	Aromatic
C12	C17	sing	1.41Å	1.41Å	Aromatic
C14	C15	doub	1.36Å	1.35Å	Aromatic
C17	C16	doub	1.36Å	1.36Å	Aromatic
C15	C16	sing	1.39Å	1.41Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C14	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.08Å	1.08Å
C10	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å
N2	H9	sing	0.97Å	1.00Å
C3	H10	sing	1.08Å	1.08Å
C2	H11	sing	1.08Å	1.08Å
C15	H12	sing	1.08Å	1.08Å
C16	H13	sing	1.08Å	1.08Å
C17	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	N1	C1	117.1°	121.7°
N1	C5	C4	123.9°	120.8°
N1	C5	H3	118.0°	119.6°
N1	C1	N2	113.4°	119.7°
N1	C1	C2	122.7°	120.6°
C6	C7	C8	113.3°	109.4°
C7	C6	N2	116.3°	120.0°
C7	C6	O1	120.9°	120.0°
C6	C7	H4	108.5°	109.5°
C6	C7	H5	108.5°	109.5°
C7	C8	C9	120.1°	119.5°
C7	C8	C13	121.3°	119.5°
C8	C7	H4	108.5°	109.5°
C8	C7	H5	108.5°	109.4°
C1	N2	C6	127.4°	120.0°
N2	C1	C2	123.9°	119.7°
C1	N2	H9	116.3°	120.0°
N2	C6	O1	122.7°	120.0°
C6	N2	H9	116.3°	120.0°
C5	C4	C3	118.2°	119.3°
C5	C4	H1	120.9°	120.4°
C4	C5	H3	118.0°	119.6°
C1	C2	C3	118.1°	119.1°
C1	C2	H11	121.0°	120.5°
C4	C3	C2	120.0°	118.5°
C3	C4	H1	120.9°	120.3°
C4	C3	H10	120.0°	120.7°
C2	C3	H10	120.0°	120.7°
C3	C2	H11	120.9°	120.4°
C8	C9	C10	121.5°	121.0°
C9	C8	C13	118.5°	121.0°
C8	C9	H6	119.3°	119.5°
C9	C10	C11	120.8°	119.7°
C10	C9	H6	119.3°	119.5°
C9	C10	H7	119.6°	120.2°
C8	C13	C12	121.5°	119.6°
C8	C13	H8	119.2°	120.2°
C10	C11	C12	118.7°	119.3°
C10	C11	C14	122.1°	121.3°
C11	C10	H7	119.6°	120.1°
C13	C12	C11	119.0°	119.4°
C13	C12	C17	122.5°	121.3°
C12	C13	H8	119.3°	120.1°
C12	C11	C14	119.2°	119.4°
C11	C12	C17	118.5°	119.3°
C11	C14	C15	120.6°	119.6°
C11	C14	H2	119.7°	120.2°
C12	C17	C16	120.6°	119.7°
C12	C17	H14	119.7°	120.2°
C14	C15	C16	120.3°	121.0°
C15	C14	H2	119.7°	120.2°
C14	C15	H12	119.8°	119.5°
C17	C16	C15	120.7°	121.0°
C17	C16	H13	119.6°	119.5°
C16	C17	H14	119.7°	120.1°
C16	C15	H12	119.8°	119.5°
C15	C16	H13	119.7°	119.5°
H4	C7	H5	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	N1	C1	N2	179.6°	180.0°
N1	C5	C4	H3	180.0°	180.0°
C5	N1	C1	C2	1.7°	0.3°
N1	C5	C4	C3	0.3°	0.0°
N1	C5	C4	H1	179.7°	179.7°
N1	C1	N2	C2	178.7°	179.7°
N1	C1	N2	C6	173.5°	5.5°
C1	N1	C5	C4	1.6°	0.0°
N1	C1	C2	C3	0.6°	0.6°
C1	N1	C5	H3	178.4°	180.0°
N1	C1	N2	H9	6.5°	174.6°
N1	C1	C2	H11	179.4°	180.0°
C6	C7	C8	H4	120.6°	120.0°
C6	C7	C8	H5	120.6°	120.0°
C7	C6	N2	C1	176.8°	174.9°
C7	C6	N2	O1	176.7°	179.9°
C6	C7	C8	C9	100.3°	90.1°
C6	C7	C8	C13	80.9°	90.0°
C6	C7	H4	H5	118.3°	120.0°
C7	C6	N2	H9	3.2°	5.0°
C8	C7	C6	N2	95.0°	180.0°
C8	C7	C6	O1	88.2°	0.0°
C7	C8	C9	C13	178.9°	179.9°
C7	C8	C9	C10	179.2°	180.0°
C7	C8	C13	C12	179.7°	180.0°
C8	C7	H4	H5	118.2°	120.0°
C7	C8	C9	H6	0.8°	0.0°
C7	C8	C13	H8	0.3°	0.1°
C1	N2	C6	H9	180.0°	179.9°
C1	N2	C6	O1	0.1°	5.2°
N2	C1	C2	C3	179.1°	179.7°
N2	C1	C2	H11	0.9°	0.3°
C6	N2	C1	C2	5.2°	174.9°
N2	C6	C7	H4	25.6°	60.1°
N2	C6	C7	H5	144.4°	60.0°
C5	C4	C3	H1	180.0°	179.7°
C5	C4	C3	C2	0.8°	0.3°
C5	C4	C3	H10	179.1°	179.7°
C1	C2	C3	C4	0.7°	0.6°
C1	C2	C3	H11	180.0°	179.4°
C2	C1	N2	H9	174.8°	5.0°
C1	C2	C3	H10	179.2°	179.5°
O1	C6	C7	H4	151.2°	120.0°
O1	C6	C7	H5	32.3°	119.9°
O1	C6	N2	H9	179.9°	174.9°
C4	C3	C2	H10	180.0°	179.9°
C3	C4	C5	H3	179.7°	180.0°
C4	C3	C2	H11	179.3°	180.0°
C2	C3	C4	H1	179.1°	180.0°
C8	C9	C10	H6	180.0°	180.0°
C8	C9	C10	C11	0.1°	0.0°
C9	C8	C13	C12	0.8°	0.1°
C9	C8	C7	H4	20.3°	150.0°
C9	C8	C7	H5	139.1°	30.0°
C8	C9	C10	H7	179.9°	180.0°
C9	C8	C13	H8	179.2°	180.0°
C10	C9	C8	C13	0.3°	0.1°
C9	C10	C11	H7	180.0°	180.0°
C9	C10	C11	C12	0.0°	0.0°
C9	C10	C11	C14	179.6°	179.9°
C8	C13	C12	H8	180.0°	179.9°
C8	C13	C12	C11	0.9°	0.1°
C8	C13	C12	C17	179.5°	180.0°
C13	C8	C7	H4	158.5°	30.0°
C13	C8	C7	H5	39.7°	150.0°
C13	C8	C9	H6	179.7°	179.9°
C10	C11	C12	C13	0.4°	0.0°
C10	C11	C12	C14	179.6°	180.0°
C10	C11	C12	C17	179.9°	180.0°
C10	C11	C14	C15	179.3°	180.0°
C10	C11	C14	H2	0.7°	0.2°
C11	C10	C9	H6	179.9°	180.0°
C13	C12	C11	C17	179.7°	180.0°
C13	C12	C11	C14	180.0°	179.9°
C13	C12	C17	C16	179.8°	179.8°
C13	C12	C17	H14	0.2°	0.0°
C12	C11	C14	C15	0.3°	0.0°
C11	C12	C17	C16	0.6°	0.2°
C12	C11	C14	H2	179.7°	179.7°
C12	C11	C10	H7	180.0°	180.0°
C11	C12	C13	H8	179.1°	179.9°
C11	C12	C17	H14	179.4°	180.0°
C14	C11	C12	C17	0.3°	0.0°
C11	C14	C15	H2	180.0°	179.7°
C11	C14	C15	C16	0.6°	0.2°
C14	C11	C10	H7	0.4°	0.1°
C11	C14	C15	H12	179.4°	179.8°
C12	C17	C16	H14	180.0°	179.8°
C12	C17	C16	C15	0.3°	0.5°
C17	C12	C13	H8	0.5°	0.1°
C12	C17	C16	H13	179.7°	180.0°
C14	C15	C16	C17	0.3°	0.5°
C14	C15	C16	H12	180.0°	180.0°
C14	C15	C16	H13	179.7°	180.0°
C17	C16	C15	H13	180.0°	179.5°
C17	C16	C15	H12	179.7°	179.5°
C16	C15	C14	H2	179.4°	180.0°
C15	C16	C17	H14	179.7°	179.7°
H1	C4	C5	H3	0.3°	0.3°
H1	C4	C3	H10	0.9°	0.0°
H2	C14	C15	H12	0.6°	0.0°
H6	C9	C10	H7	0.1°	0.0°
H10	C3	C2	H11	0.8°	0.0°
H12	C15	C16	H13	0.3°	0.0°
H13	C16	C17	H14	0.3°	0.2°

Release date:	2018-10-24
Definition date:	2018-09-06
Last modified:	2018-10-19
Release status:	REL
Processing site:	EBI
Derived from:	6HK6