V8N

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.21Å	1.23Å
C	C20	sing	1.51Å	1.52Å
C20	C21	sing	1.51Å	1.51Å
C21	C22	doub	1.38Å	1.39Å	Aromatic
C21	C33	sing	1.38Å	1.39Å	Aromatic
C22	C23	sing	1.38Å	1.39Å	Aromatic
C23	C24	sing	1.51Å	1.51Å
C23	C31	doub	1.38Å	1.39Å	Aromatic
C24	N	sing	1.47Å	1.46Å
C31	C32	sing	1.38Å	1.38Å	Aromatic
C32	C33	doub	1.38Å	1.39Å	Aromatic
C20	H1	sing	1.09Å	1.10Å
C20	H3	sing	1.09Å	1.10Å
C22	H4	sing	1.08Å	1.08Å
C24	H5	sing	1.09Å	1.10Å
C24	H6	sing	1.09Å	1.10Å
C31	H7	sing	1.08Å	1.08Å
C32	H8	sing	1.08Å	1.08Å
C33	H9	sing	1.08Å	1.08Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
C	OXT	sing	1.34Å	1.33Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C20	122.4°	120.0°
O	C	OXT	122.7°	120.0°
C	C20	C21	113.9°	109.5°
C	C20	H1	108.4°	109.5°
C	C20	H3	108.4°	109.5°
C20	C	OXT	114.9°	120.0°
C20	C21	C22	120.1°	120.0°
C20	C21	C33	121.2°	120.0°
C21	C20	H1	108.4°	109.5°
C21	C20	H3	108.4°	109.5°
C22	C21	C33	118.6°	120.0°
C21	C22	C23	121.5°	120.0°
C21	C22	H4	119.2°	120.0°
C21	C33	C32	120.5°	120.0°
C21	C33	H9	119.8°	120.0°
C22	C23	C24	119.8°	120.0°
C22	C23	C31	118.7°	120.0°
C23	C22	H4	119.2°	120.0°
C24	C23	C31	121.5°	120.0°
C23	C24	N	109.8°	109.5°
C23	C24	H5	109.4°	109.5°
C23	C24	H6	109.4°	109.5°
C23	C31	C32	120.6°	119.9°
C23	C31	H7	119.7°	120.0°
N	C24	H5	109.4°	109.4°
N	C24	H6	109.4°	109.5°
C24	N	H	109.5°	111.0°
C24	N	H2	109.5°	111.0°
C31	C32	C33	120.0°	120.0°
C32	C31	H7	119.7°	120.1°
C31	C32	H8	120.0°	119.9°
C33	C32	H8	120.0°	120.0°
C32	C33	H9	119.7°	120.0°
H1	C20	H3	109.4°	109.5°
H5	C24	H6	109.5°	109.5°
H	N	H2	109.5°	111.0°
C	OXT	HXT	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C20	OXT	179.3°	179.7°
O	C	C20	C21	22.5°	0.0°
O	C	C20	H1	98.1°	119.9°
O	C	C20	H3	143.2°	120.0°
O	C	OXT	HXT	0.0°	0.0°
C	C20	C21	H1	120.7°	120.0°
C	C20	C21	H3	120.6°	120.0°
C	C20	C21	C22	104.0°	90.0°
C	C20	C21	C33	78.5°	90.3°
C	C20	H1	H3	118.0°	120.0°
C20	C	OXT	HXT	179.3°	179.7°
C20	C21	C22	C33	177.6°	179.7°
C20	C21	C22	C23	176.0°	180.0°
C20	C21	C33	C32	177.1°	179.8°
C21	C20	H1	H3	118.0°	120.0°
C20	C21	C22	H4	4.0°	0.0°
C20	C21	C33	H9	3.0°	0.0°
C21	C20	C	OXT	158.2°	179.7°
C21	C22	C23	H4	180.0°	180.0°
C21	C22	C23	C24	179.3°	180.0°
C21	C22	C23	C31	1.6°	0.1°
C22	C21	C33	C32	0.5°	0.5°
C22	C21	C20	H1	16.7°	30.0°
C22	C21	C20	H3	135.3°	150.0°
C22	C21	C33	H9	179.5°	179.7°
C33	C21	C22	C23	1.6°	0.3°
C21	C33	C32	C31	0.5°	0.5°
C21	C33	C32	H9	180.0°	179.8°
C33	C21	C20	H1	160.9°	149.7°
C33	C21	C20	H3	42.2°	29.7°
C33	C21	C22	H4	178.4°	179.7°
C21	C33	C32	H8	179.5°	179.7°
C22	C23	C24	C31	179.1°	180.0°
C22	C23	C24	N	70.1°	90.0°
C22	C23	C31	C32	0.5°	0.0°
C22	C23	C24	H5	49.9°	150.0°
C22	C23	C24	H6	169.8°	30.0°
C22	C23	C31	H7	179.5°	180.0°
C23	C24	N	H5	120.0°	120.0°
C23	C24	N	H6	120.1°	120.0°
C24	C23	C31	C32	179.6°	180.0°
C24	C23	C22	H4	0.7°	0.0°
C23	C24	H5	H6	119.9°	120.0°
C24	C23	C31	H7	0.3°	0.0°
C23	C24	N	H	180.0°	56.0°
C23	C24	N	H2	60.0°	180.0°
C31	C23	C24	N	109.0°	90.0°
C23	C31	C32	H7	180.0°	180.0°
C23	C31	C32	C33	0.5°	0.2°
C31	C23	C22	H4	178.4°	180.0°
C31	C23	C24	H5	131.0°	30.0°
C31	C23	C24	H6	11.1°	150.0°
C23	C31	C32	H8	179.5°	180.0°
N	C24	H5	H6	119.8°	120.0°
C24	N	H	H2	120.0°	124.0°
C31	C32	C33	H8	180.0°	179.8°
C31	C32	C33	H9	179.5°	179.8°
C33	C32	C31	H7	179.5°	179.8°
H1	C20	C	OXT	81.2°	59.7°
H3	C20	C	OXT	37.5°	60.3°
H5	C24	N	H	60.0°	64.0°
H5	C24	N	H2	180.0°	60.0°
H6	C24	N	H	59.9°	176.0°
H6	C24	N	H2	60.1°	60.0°
H7	C31	C32	H8	0.5°	0.0°
H8	C32	C33	H9	0.5°	0.0°

Release date:	2022-04-06
Definition date:	2021-04-29
Last modified:	2023-11-03
Release status:	REL
Processing site:	PDBE
Derived from:	7OC2