U72

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C11	sing	1.51Å	1.51Å
C12	C15	sing	1.53Å	1.50Å
C10	C11	sing	1.39Å	1.39Å	Aromatic
C10	C9	doub	1.38Å	1.38Å	Aromatic
C11	C6	doub	1.39Å	1.42Å	Aromatic
C15	C14	sing	1.54Å	1.51Å
C9	C8	sing	1.38Å	1.38Å	Aromatic
C14	N1	sing	1.46Å	1.48Å
C6	N1	sing	1.40Å	1.41Å
C6	C7	sing	1.39Å	1.42Å	Aromatic
N1	C2	sing	1.38Å	1.38Å
C8	C7	doub	1.38Å	1.39Å	Aromatic
C7	C4	sing	1.51Å	1.51Å
C2	N5	doub	1.30Å	1.30Å
C2	N3	sing	1.39Å	1.38Å
C4	N3	sing	1.47Å	1.46Å
N3	C13	sing	1.46Å	1.46Å
C8	H1	sing	1.08Å	1.08Å
C9	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.09Å	1.10Å
C12	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
C15	H11	sing	1.09Å	1.10Å
C15	H12	sing	1.09Å	1.10Å
C4	H13	sing	1.09Å	1.10Å
N5	H14	sing	0.97Å	1.00Å
C4	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C12	C15	112.0°	110.2°
C12	C11	C10	120.8°	118.8°
C12	C11	C6	120.2°	121.7°
C11	C12	H4	108.8°	109.4°
C11	C12	H5	108.8°	109.4°
C12	C15	C14	109.5°	109.0°
C15	C12	H4	108.8°	109.3°
C15	C12	H5	108.9°	109.4°
C12	C15	H11	109.5°	109.6°
C12	C15	H12	109.5°	109.6°
C11	C10	C9	120.9°	120.5°
C10	C11	C6	119.0°	119.5°
C11	C10	H3	119.5°	119.9°
C10	C9	C8	120.3°	120.0°
C10	C9	H2	119.9°	120.0°
C9	C10	H3	119.6°	119.6°
C11	C6	N1	120.2°	120.3°
C11	C6	C7	119.6°	120.0°
C15	C14	N1	112.7°	108.5°
C15	C14	H9	108.7°	109.3°
C15	C14	H10	108.7°	109.9°
C14	C15	H11	109.4°	110.3°
C14	C15	H12	109.5°	108.6°
C9	C8	C7	120.9°	120.2°
C9	C8	H1	119.5°	119.9°
C8	C9	H2	119.8°	120.0°
C14	N1	C6	119.6°	120.5°
C14	N1	C2	119.8°	120.4°
N1	C14	H9	108.6°	109.7°
N1	C14	H10	108.6°	109.7°
N1	C6	C7	120.2°	119.7°
C6	N1	C2	120.5°	119.1°
C6	C7	C8	119.3°	119.9°
C6	C7	C4	121.0°	121.2°
N1	C2	N5	116.4°	122.2°
N1	C2	N3	121.6°	115.7°
C8	C7	C4	119.7°	118.9°
C7	C8	H1	119.6°	119.9°
C7	C4	N3	113.6°	109.6°
C7	C4	H13	108.4°	109.5°
C7	C4	H16	108.4°	109.5°
N5	C2	N3	122.0°	122.1°
C2	N5	H14	112.0°	120.0°
C2	N3	C4	123.0°	116.6°
C2	N3	C13	120.2°	121.7°
C4	N3	C13	115.3°	121.7°
N3	C4	H13	108.4°	109.2°
N3	C4	H16	108.4°	109.6°
N3	C13	H6	109.5°	109.5°
N3	C13	H7	109.5°	109.5°
N3	C13	H8	109.5°	109.5°
H4	C12	H5	109.5°	109.2°
H6	C13	H7	109.5°	109.4°
H6	C13	H8	109.5°	109.5°
H7	C13	H8	109.5°	109.5°
H9	C14	H10	109.5°	109.7°
H11	C15	H12	109.5°	109.8°
H13	C4	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C12	C15	H4	120.4°	120.2°
C11	C12	C15	H5	120.4°	120.2°
C12	C11	C10	C6	178.6°	178.6°
C12	C11	C10	C9	178.8°	179.0°
C11	C12	C15	C14	52.6°	52.5°
C12	C11	C6	N1	0.9°	2.3°
C12	C11	C6	C7	179.3°	178.4°
C12	C11	C10	H3	1.2°	1.7°
C11	C12	H4	H5	118.8°	119.7°
C11	C12	C15	H11	67.4°	173.3°
C11	C12	C15	H12	172.6°	66.2°
C15	C12	C11	C10	155.1°	156.9°
C15	C12	C11	C6	26.3°	21.6°
C12	C15	C14	H11	120.0°	120.4°
C12	C15	C14	H12	120.0°	119.3°
C12	C15	C14	N1	56.1°	61.2°
C15	C12	H4	H5	118.9°	119.6°
C12	C15	C14	H9	176.5°	58.4°
C12	C15	C14	H10	64.4°	178.8°
C12	C15	H11	H12	120.0°	120.4°
C11	C10	C9	H3	180.0°	179.3°
C11	C10	C9	C8	2.3°	0.5°
C10	C11	C6	N1	179.5°	179.1°
C10	C11	C6	C7	2.1°	0.2°
C11	C10	C9	H2	177.7°	179.3°
C10	C11	C12	H4	34.8°	82.9°
C10	C11	C12	H5	84.4°	36.7°
C9	C10	C11	C6	2.6°	0.4°
C10	C9	C8	H2	180.0°	179.9°
C10	C9	C8	C7	1.3°	0.1°
C10	C9	C8	H1	178.7°	179.9°
C11	C6	N1	C14	3.9°	7.2°
C11	C6	N1	C7	178.4°	179.3°
C11	C6	N1	C2	179.8°	172.7°
C11	C6	C7	C8	1.2°	0.7°
C11	C6	C7	C4	179.0°	179.6°
C6	C11	C10	H3	177.3°	179.7°
C6	C11	C12	H4	146.6°	98.6°
C6	C11	C12	H5	94.1°	141.9°
C15	C14	N1	H9	120.5°	119.4°
C15	C14	N1	H10	120.5°	120.1°
C15	C14	N1	C6	32.1°	39.0°
C15	C14	N1	C2	151.6°	140.9°
C14	C15	C12	H4	173.0°	67.7°
C14	C15	C12	H5	67.8°	172.8°
C15	C14	H9	H10	118.6°	120.6°
C14	C15	H11	H12	120.0°	119.6°
C9	C8	C7	C6	0.8°	0.5°
C9	C8	C7	H1	180.0°	179.9°
C9	C8	C7	C4	178.7°	179.7°
C8	C9	C10	H3	177.7°	179.8°
C14	N1	C6	C2	176.3°	179.9°
C14	N1	C6	C7	177.8°	172.1°
C14	N1	C2	N5	2.0°	32.4°
C14	N1	C2	N3	178.0°	147.3°
N1	C14	H9	H10	118.5°	120.5°
N1	C14	C15	H11	63.9°	178.5°
N1	C14	C15	H12	176.1°	58.1°
N1	C6	C7	C8	179.6°	178.7°
N1	C6	C7	C4	2.6°	1.1°
C6	N1	C2	N5	178.3°	147.5°
C6	N1	C2	N3	1.7°	32.8°
C6	N1	C14	H9	152.6°	80.4°
C6	N1	C14	H10	88.4°	159.1°
C7	C6	N1	C2	1.5°	8.0°
C6	C7	C8	C4	177.9°	179.8°
C6	C7	C4	N3	3.7°	16.9°
C6	C7	C8	H1	179.2°	179.5°
C6	C7	C4	H13	116.9°	102.8°
C6	C7	C4	H16	124.3°	137.2°
N1	C2	N5	N3	180.0°	179.7°
N1	C2	N3	C4	3.1°	51.3°
N1	C2	N3	C13	161.9°	128.7°
C2	N1	C14	H9	31.1°	99.8°
C2	N1	C14	H10	87.9°	20.8°
N1	C2	N5	H14	180.0°	179.7°
C8	C7	C4	N3	178.5°	162.8°
C7	C8	C9	H2	178.7°	179.8°
C8	C7	C4	H13	60.9°	77.4°
C8	C7	C4	H16	57.9°	42.6°
C7	C4	N3	C2	3.9°	41.5°
C7	C4	N3	H13	120.6°	119.9°
C7	C4	N3	H16	120.6°	120.2°
C7	C4	N3	C13	161.7°	138.5°
C4	C7	C8	H1	1.4°	0.2°
C7	C4	H13	H16	118.1°	120.0°
N5	C2	N3	C4	176.9°	129.0°
N5	C2	N3	C13	18.1°	51.0°
C2	N3	C4	C13	165.7°	180.0°
C2	N3	C13	H6	180.0°	0.0°
C2	N3	C13	H7	60.0°	120.0°
C2	N3	C13	H8	60.0°	120.0°
C2	N3	C4	H13	116.7°	78.5°
N3	C2	N5	H14	0.0°	0.0°
C2	N3	C4	H16	124.5°	161.6°
C4	N3	C13	H6	13.9°	180.0°
C4	N3	C13	H7	106.1°	60.0°
C4	N3	C13	H8	133.9°	60.0°
N3	C4	H13	H16	118.1°	120.0°
N3	C13	H6	H7	120.0°	120.0°
N3	C13	H6	H8	120.0°	120.0°
N3	C13	H7	H8	120.0°	120.0°
C13	N3	C4	H13	77.7°	101.6°
C13	N3	C4	H16	41.1°	18.3°
H1	C8	C9	H2	1.3°	0.2°
H2	C9	C10	H3	2.3°	0.0°
H4	C12	C15	H11	53.0°	53.1°
H4	C12	C15	H12	67.0°	173.6°
H5	C12	C15	H11	172.2°	66.4°
H5	C12	C15	H12	52.2°	54.1°
H6	C13	H7	H8	120.0°	120.0°
H9	C14	C15	H11	56.6°	62.0°
H9	C14	C15	H12	63.5°	177.7°
H10	C14	C15	H11	175.6°	58.5°
H10	C14	C15	H12	55.6°	61.8°

Release date:	2021-03-17
Definition date:	2021-01-27
Last modified:	2021-03-12
Release status:	REL
Processing site:	PDBE
Derived from:	7NBQ