C9G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	N	sing	1.46Å	1.46Å
C1	N	sing	1.37Å	1.37Å
C1	C2	doub	1.34Å	1.33Å
N	C16	sing	1.35Å	1.40Å
C2	C3	sing	1.46Å	1.43Å
C16	O1	doub	1.22Å	1.22Å
C16	C15	sing	1.47Å	1.47Å
C3	C15	doub	1.41Å	1.40Å	Aromatic
C3	C4	sing	1.40Å	1.39Å	Aromatic
C15	N4	sing	1.33Å	1.35Å	Aromatic
C4	C5	doub	1.37Å	1.38Å	Aromatic
N4	C6	doub	1.32Å	1.34Å	Aromatic
C5	C6	sing	1.40Å	1.39Å	Aromatic
C6	C7	sing	1.48Å	1.47Å
N3	C7	sing	1.34Å	1.37Å	Aromatic
N3	N2	doub	1.29Å	1.32Å	Aromatic
C7	C8	doub	1.36Å	1.37Å	Aromatic
N2	N1	sing	1.40Å	1.36Å	Aromatic
C8	N1	sing	1.35Å	1.35Å	Aromatic
N1	C9	sing	1.40Å	1.43Å
C10	C9	doub	1.39Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C9	C14	sing	1.39Å	1.38Å	Aromatic
C11	C12	doub	1.39Å	1.39Å	Aromatic
C14	C13	doub	1.38Å	1.38Å	Aromatic
C12	C13	sing	1.39Å	1.39Å	Aromatic
C12	O	sing	1.36Å	1.37Å
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
C11	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C14	H7	sing	1.08Å	1.08Å
C	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å
O	H11	sing	0.97Å	0.95Å
C1	H12	sing	1.08Å	1.08Å
C2	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	N	C1	119.5°	118.9°
C	N	C16	117.4°	118.8°
N	C	H8	109.5°	109.4°
N	C	H9	109.5°	109.4°
N	C	H10	109.5°	109.5°
N	C1	C2	122.4°	122.3°
C1	N	C16	123.1°	122.3°
N	C1	H12	118.8°	118.8°
C1	C2	C3	120.0°	119.4°
C2	C1	H12	118.8°	118.9°
C1	C2	H13	120.0°	120.3°
N	C16	O1	120.7°	120.3°
N	C16	C15	115.0°	119.3°
C2	C3	C15	118.9°	118.6°
C2	C3	C4	123.9°	122.0°
C3	C2	H13	120.0°	120.3°
O1	C16	C15	124.4°	120.3°
C16	C15	C3	120.7°	118.0°
C16	C15	N4	116.3°	121.8°
C15	C3	C4	117.2°	119.5°
C3	C15	N4	123.0°	120.2°
C3	C4	C5	120.5°	118.1°
C3	C4	H1	119.7°	121.0°
C15	N4	C6	118.0°	121.1°
C4	C5	C6	118.2°	119.8°
C5	C4	H1	119.8°	121.0°
C4	C5	H2	120.9°	120.1°
N4	C6	C5	123.1°	121.4°
N4	C6	C7	116.0°	119.3°
C5	C6	C7	120.9°	119.3°
C6	C5	H2	120.9°	120.1°
C6	C7	N3	123.8°	125.7°
C6	C7	C8	128.0°	125.7°
C7	N3	N2	109.0°	109.7°
N3	C7	C8	108.2°	108.6°
N3	N2	N1	107.0°	108.3°
C7	C8	N1	105.4°	106.8°
C7	C8	H3	127.3°	126.6°
N2	N1	C8	110.5°	106.7°
N2	N1	C9	121.6°	126.7°
C8	N1	C9	128.0°	126.7°
N1	C8	H3	127.3°	126.7°
N1	C9	C10	120.6°	120.0°
N1	C9	C14	119.3°	120.0°
C9	C10	C11	119.7°	120.0°
C10	C9	C14	120.1°	120.0°
C9	C10	H4	120.1°	120.0°
C10	C11	C12	120.0°	120.0°
C11	C10	H4	120.2°	120.0°
C10	C11	H5	120.0°	120.0°
C9	C14	C13	120.3°	120.0°
C9	C14	H7	119.9°	120.1°
C11	C12	C13	120.0°	120.0°
C11	C12	O	122.9°	120.0°
C12	C11	H5	120.0°	120.0°
C14	C13	C12	119.9°	120.0°
C14	C13	H6	120.0°	120.0°
C13	C14	H7	119.9°	119.9°
C13	C12	O	117.2°	120.0°
C12	C13	H6	120.0°	120.0°
C12	O	H11	109.5°	114.0°
H8	C	H9	109.5°	109.4°
H8	C	H10	109.5°	109.5°
H9	C	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	N	C1	C16	178.6°	180.0°
C	N	C1	C2	178.3°	179.7°
C	N	C16	O1	1.5°	0.0°
C	N	C16	C15	178.2°	180.0°
N	C	H8	H9	120.0°	119.9°
N	C	H8	H10	120.0°	120.0°
N	C	H9	H10	120.0°	120.0°
C	N	C1	H12	1.6°	0.0°
N	C1	C2	H12	180.0°	179.7°
N	C1	C2	C3	0.1°	0.3°
C1	N	C16	O1	179.9°	180.0°
C1	N	C16	C15	0.4°	0.1°
C1	N	C	H8	180.0°	89.9°
C1	N	C	H9	60.0°	30.0°
C1	N	C	H10	60.0°	150.0°
N	C1	C2	H13	179.9°	180.0°
C2	C1	N	C16	0.3°	0.3°
C1	C2	C3	H13	180.0°	179.7°
C1	C2	C3	C15	0.1°	0.0°
C1	C2	C3	C4	179.4°	179.4°
N	C16	O1	C15	179.7°	179.9°
N	C16	C15	C3	0.5°	0.2°
N	C16	C15	N4	179.2°	180.0°
C16	N	C	H8	1.3°	90.1°
C16	N	C	H9	118.7°	150.0°
C16	N	C	H10	121.3°	29.9°
C16	N	C1	H12	179.7°	180.0°
C2	C3	C15	C16	0.3°	0.3°
C2	C3	C15	C4	179.4°	179.4°
C2	C3	C15	N4	179.3°	179.9°
C2	C3	C4	C5	178.4°	179.9°
C2	C3	C4	H1	1.6°	0.4°
C3	C2	C1	H12	179.9°	180.0°
O1	C16	C15	C3	179.9°	179.7°
O1	C16	C15	N4	0.5°	0.1°
C16	C15	C3	N4	179.6°	179.8°
C16	C15	C3	C4	179.7°	179.6°
C16	C15	N4	C6	178.6°	179.9°
C15	C3	C4	C5	0.9°	0.6°
C3	C15	N4	C6	1.0°	0.2°
C15	C3	C4	H1	179.1°	179.7°
C15	C3	C2	H13	179.9°	179.7°
C4	C3	C15	N4	0.0°	0.6°
C3	C4	C5	H1	180.0°	179.7°
C3	C4	C5	C6	0.8°	0.3°
C3	C4	C5	H2	179.3°	179.7°
C4	C3	C2	H13	0.6°	0.3°
C15	N4	C6	C5	1.2°	0.0°
C15	N4	C6	C7	179.7°	179.9°
C4	C5	C6	N4	0.3°	0.0°
C4	C5	C6	H2	180.0°	180.0°
C4	C5	C6	C7	179.4°	180.0°
N4	C6	C5	C7	179.1°	180.0°
N4	C6	C7	N3	10.6°	179.8°
N4	C6	C7	C8	169.1°	0.0°
N4	C6	C5	H2	179.6°	180.0°
C5	C6	C7	N3	170.3°	0.1°
C5	C6	C7	C8	10.1°	180.0°
C6	C5	C4	H1	179.3°	180.0°
C6	C7	N3	C8	179.7°	179.9°
C6	C7	N3	N2	179.5°	179.9°
C6	C7	C8	N1	179.7°	180.0°
C7	C6	C5	H2	0.6°	0.0°
C6	C7	C8	H3	0.3°	0.0°
C7	N3	N2	N1	0.4°	0.1°
N3	C7	C8	N1	0.0°	0.2°
N3	C7	C8	H3	180.0°	179.9°
N2	N3	C7	C8	0.2°	0.0°
N3	N2	N1	C8	0.4°	0.2°
N3	N2	N1	C9	179.7°	180.0°
C7	C8	N1	N2	0.2°	0.2°
C7	C8	N1	H3	180.0°	180.0°
C7	C8	N1	C9	179.5°	180.0°
N2	N1	C8	C9	179.3°	179.8°
N2	N1	C9	C10	29.9°	180.0°
N2	N1	C9	C14	153.6°	0.3°
N2	N1	C8	H3	179.8°	179.8°
C8	N1	C9	C10	150.9°	0.3°
C8	N1	C9	C14	25.7°	180.0°
N1	C9	C10	C14	176.5°	179.8°
N1	C9	C10	C11	175.9°	180.0°
N1	C9	C14	C13	175.5°	179.8°
C9	N1	C8	H3	0.5°	0.1°
N1	C9	C10	H4	4.0°	0.0°
N1	C9	C14	H7	4.5°	0.1°
C9	C10	C11	H4	180.0°	180.0°
C9	C10	C11	C12	0.5°	0.0°
C10	C9	C14	C13	1.0°	0.5°
C9	C10	C11	H5	179.5°	180.0°
C10	C9	C14	H7	178.9°	179.7°
C11	C10	C9	C14	0.6°	0.2°
C10	C11	C12	H5	180.0°	180.0°
C10	C11	C12	C13	1.1°	0.0°
C10	C11	C12	O	178.7°	179.9°
C9	C14	C13	H7	180.0°	179.8°
C9	C14	C13	C12	0.4°	0.5°
C14	C9	C10	H4	179.4°	179.8°
C9	C14	C13	H6	179.6°	179.7°
C11	C12	C13	C14	0.7°	0.2°
C11	C12	C13	O	179.8°	179.9°
C12	C11	C10	H4	179.5°	180.0°
C11	C12	C13	H6	179.3°	179.9°
C11	C12	O	H11	180.0°	90.0°
C14	C13	C12	H6	180.0°	179.8°
C14	C13	C12	O	179.2°	179.8°
C13	C12	C11	H5	178.9°	180.0°
C12	C13	C14	H7	179.6°	179.7°
C13	C12	O	H11	0.2°	90.0°
O	C12	C11	H5	1.3°	0.0°
O	C12	C13	H6	0.8°	0.0°
H1	C4	C5	H2	0.7°	0.0°
H4	C10	C11	H5	0.5°	0.1°
H6	C13	C14	H7	0.4°	0.1°
H8	C	H9	H10	120.0°	120.1°
H12	C1	C2	H13	0.1°	0.3°

Release date:	2018-01-03
Definition date:	2017-09-20
Last modified:	2017-12-29
Release status:	REL
Processing site:	RCSB
Derived from:	6B1K