VYP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.38Å	1.37Å
C2	N7	doub	1.33Å	1.39Å	Aromatic
C2	N3	sing	1.33Å	1.39Å	Aromatic
N7	C6	sing	1.32Å	1.34Å	Aromatic
N3	C4	doub	1.32Å	1.34Å	Aromatic
C6	C5	doub	1.40Å	1.41Å	Aromatic
C4	C5	sing	1.40Å	1.40Å	Aromatic
C5	C8	sing	1.48Å	1.46Å
C8	C9	doub	1.40Å	1.40Å	Aromatic
C8	N13	sing	1.33Å	1.36Å	Aromatic
C9	C10	sing	1.38Å	1.40Å	Aromatic
N13	C12	doub	1.32Å	1.38Å	Aromatic
C10	N11	doub	1.32Å	1.34Å	Aromatic
C12	N14	sing	1.38Å	1.40Å
C12	N11	sing	1.32Å	1.39Å	Aromatic
C18	C19	sing	1.53Å	1.54Å
C18	O17	sing	1.43Å	1.40Å
C19	N14	sing	1.47Å	1.48Å
N14	C15	sing	1.47Å	1.48Å
O17	C16	sing	1.43Å	1.40Å
C16	C15	sing	1.53Å	1.54Å
C9	H24	sing	1.08Å	1.08Å
C10	H25	sing	1.08Å	1.08Å
C4	H22	sing	1.08Å	1.08Å
C6	H23	sing	1.08Å	1.08Å
C15	H26	sing	1.09Å	1.10Å
C15	H27	sing	1.09Å	1.10Å
C19	H33	sing	1.09Å	1.10Å
C19	H32	sing	1.09Å	1.10Å
C16	H28	sing	1.09Å	1.10Å
C16	H29	sing	1.09Å	1.10Å
C18	H31	sing	1.09Å	1.10Å
C18	H30	sing	1.09Å	1.10Å
N1	H21	sing	0.97Å	1.00Å
N1	H20	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C2	N7	117.1°	119.1°
N1	C2	N3	117.3°	119.1°
C2	N1	H21	109.5°	120.0°
C2	N1	H20	109.4°	120.0°
N7	C2	N3	125.6°	121.9°
C2	N7	C6	115.2°	120.9°
C2	N3	C4	115.2°	120.9°
N7	C6	C5	123.8°	119.1°
N7	C6	H23	118.1°	120.5°
N3	C4	C5	123.9°	119.0°
N3	C4	H22	118.1°	120.5°
C6	C5	C4	116.4°	118.3°
C6	C5	C8	121.5°	120.9°
C5	C6	H23	118.1°	120.4°
C4	C5	C8	122.1°	120.8°
C5	C4	H22	118.1°	120.5°
C5	C8	C9	122.3°	120.5°
C5	C8	N13	115.4°	120.5°
C9	C8	N13	122.3°	119.0°
C8	C9	C10	117.1°	118.4°
C8	C9	H24	121.5°	120.7°
C8	N13	C12	116.1°	120.6°
C9	C10	N11	124.0°	119.3°
C10	C9	H24	121.4°	120.8°
C9	C10	H25	118.0°	120.3°
N13	C12	N14	116.8°	119.1°
N13	C12	N11	125.5°	121.7°
C10	N11	C12	114.9°	121.0°
N11	C10	H25	118.0°	120.4°
N14	C12	N11	117.6°	119.1°
C12	N14	C19	119.9°	111.0°
C12	N14	C15	119.5°	111.0°
C19	C18	O17	110.6°	109.3°
C18	C19	N14	107.4°	109.2°
C18	C19	H33	110.0°	109.5°
C18	C19	H32	110.0°	109.5°
C19	C18	H31	109.2°	109.5°
C19	C18	H30	109.2°	109.5°
C18	O17	C16	112.5°	113.7°
O17	C18	H31	109.2°	109.5°
O17	C18	H30	109.2°	109.4°
C19	N14	C15	113.5°	110.8°
N14	C19	H33	110.0°	109.5°
N14	C19	H32	110.0°	109.5°
N14	C15	C16	108.0°	109.3°
N14	C15	H26	109.9°	109.5°
N14	C15	H27	109.8°	109.5°
O17	C16	C15	110.8°	109.2°
O17	C16	H28	109.1°	109.5°
O17	C16	H29	109.1°	109.5°
C16	C15	H26	109.8°	109.5°
C16	C15	H27	109.9°	109.4°
C15	C16	H28	109.2°	109.5°
C15	C16	H29	109.1°	109.5°
H26	C15	H27	109.4°	109.5°
H33	C19	H32	109.5°	109.5°
H28	C16	H29	109.5°	109.6°
H31	C18	H30	109.5°	109.6°
H21	N1	H20	109.5°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	N7	N3	179.9°	179.2°
N1	C2	N7	C6	178.8°	180.0°
N1	C2	N3	C4	178.8°	179.7°
C2	N1	H21	H20	120.0°	180.0°
N7	C2	N3	C4	1.1°	0.5°
C2	N7	C6	C5	0.1°	0.6°
C2	N7	C6	H23	179.9°	179.5°
N7	C2	N1	H21	0.0°	0.0°
N7	C2	N1	H20	120.0°	179.9°
N3	C2	N7	C6	1.1°	0.8°
C2	N3	C4	C5	0.1°	0.0°
C2	N3	C4	H22	179.9°	179.7°
N3	C2	N1	H21	179.9°	179.2°
N3	C2	N1	H20	59.9°	0.9°
N7	C6	C5	H23	180.0°	179.9°
N7	C6	C5	C4	1.2°	0.1°
N7	C6	C5	C8	176.9°	180.0°
N3	C4	C5	C6	1.2°	0.2°
N3	C4	C5	H22	180.0°	179.7°
N3	C4	C5	C8	176.9°	179.7°
C6	C5	C4	C8	178.1°	180.0°
C6	C5	C8	C9	168.9°	0.0°
C6	C5	C8	N13	12.0°	179.9°
C6	C5	C4	H22	178.8°	180.0°
C4	C5	C8	C9	13.2°	180.0°
C4	C5	C8	N13	166.0°	0.0°
C4	C5	C6	H23	178.8°	179.9°
C5	C8	C9	N13	179.1°	180.0°
C5	C8	C9	C10	177.8°	180.0°
C5	C8	N13	C12	179.6°	179.4°
C5	C8	C9	H24	2.2°	0.3°
C8	C5	C4	H22	3.1°	0.0°
C8	C5	C6	H23	3.1°	0.1°
C8	C9	C10	H24	180.0°	179.8°
C9	C8	N13	C12	1.2°	0.5°
C8	C9	C10	N11	1.4°	0.3°
C8	C9	C10	H25	178.6°	179.8°
N13	C8	C9	C10	1.3°	0.0°
C8	N13	C12	N14	172.3°	179.8°
C8	N13	C12	N11	4.0°	0.8°
N13	C8	C9	H24	178.7°	179.8°
C9	C10	N11	H25	180.0°	180.0°
C9	C10	N11	C12	0.9°	0.0°
N13	C12	N11	C10	3.8°	0.5°
N13	C12	N14	N11	176.6°	179.5°
N13	C12	N14	C19	10.2°	179.5°
N13	C12	N14	C15	158.8°	56.9°
C10	N11	C12	N14	172.4°	180.0°
N11	C10	C9	H24	178.6°	180.0°
C12	N14	C19	C18	154.4°	177.7°
C12	N14	C19	C15	150.3°	123.8°
C12	N14	C15	C16	155.1°	177.6°
C12	N14	C15	H26	35.3°	62.5°
C12	N14	C15	H27	85.1°	57.7°
C12	N14	C19	H33	34.7°	57.7°
C12	N14	C19	H32	85.9°	62.4°
N11	C12	N14	C19	173.2°	0.0°
N11	C12	N14	C15	24.6°	123.6°
C12	N11	C10	H25	179.1°	180.0°
C19	C18	O17	H31	120.2°	120.0°
C19	C18	O17	H30	120.2°	119.9°
C18	C19	N14	H33	119.7°	120.0°
C18	C19	N14	H32	119.7°	119.9°
C18	C19	N14	C15	55.3°	58.6°
C19	C18	O17	C16	62.0°	58.6°
C18	C19	H33	H32	120.9°	120.1°
C19	C18	H31	H30	119.5°	120.2°
O17	C18	C19	N14	56.9°	56.8°
C18	O17	C16	C15	60.9°	58.7°
O17	C18	C19	H33	176.5°	176.7°
O17	C18	C19	H32	62.8°	63.1°
C18	O17	C16	H28	178.9°	61.3°
C18	O17	C16	H29	59.3°	178.6°
O17	C18	H31	H30	119.5°	120.0°
C19	N14	C15	C16	54.5°	58.7°
C19	N14	C15	H26	174.2°	61.3°
C19	N14	C15	H27	65.3°	178.6°
N14	C19	H33	H32	120.9°	120.1°
N14	C19	C18	H31	177.0°	176.8°
N14	C19	C18	H30	63.3°	63.1°
N14	C15	C16	O17	55.0°	56.9°
N14	C15	C16	H26	119.8°	120.0°
N14	C15	C16	H27	119.8°	119.9°
N14	C15	H26	H27	120.7°	120.1°
C15	N14	C19	H33	175.0°	178.5°
C15	N14	C19	H32	64.4°	61.3°
N14	C15	C16	H28	175.2°	63.0°
N14	C15	C16	H29	65.2°	176.8°
O17	C16	C15	H28	120.2°	119.9°
O17	C16	C15	H29	120.2°	119.9°
O17	C16	C15	H26	174.8°	63.1°
O17	C16	C15	H27	64.8°	176.9°
O17	C16	H28	H29	119.3°	120.1°
C16	O17	C18	H31	177.9°	178.6°
C16	O17	C18	H30	58.2°	61.3°
C16	C15	H26	H27	120.7°	120.0°
C15	C16	H28	H29	119.4°	120.1°
H24	C9	C10	H25	1.4°	0.0°
H26	C15	C16	H28	65.0°	177.0°
H26	C15	C16	H29	54.6°	56.8°
H27	C15	C16	H28	55.4°	56.9°
H27	C15	C16	H29	175.0°	63.3°
H33	C19	C18	H31	63.3°	63.3°
H33	C19	C18	H30	56.3°	56.9°
H32	C19	C18	H31	57.3°	56.8°
H32	C19	C18	H30	177.0°	177.0°

Release date:	2021-01-06
Definition date:	2020-09-22
Last modified:	2021-01-01
Release status:	REL
Processing site:	RCSB
Derived from:	7K71