IBC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C11	sing	1.34Å	1.27Å
O4	HO4	sing	0.97Å	0.95Å
C11	O3	doub	1.21Å	1.29Å
C11	C10	sing	1.51Å	1.57Å
C10	N2	sing	1.47Å	1.52Å
C10	C9	sing	1.53Å	1.56Å
C10	H10	sing	1.09Å	1.11Å
N2	HN21	sing	1.01Å	1.02Å
N2	HN22	sing	1.01Å	1.02Å
C9	C4	sing	1.51Å	1.53Å
C9	H91	sing	1.09Å	1.11Å
C9	H92	sing	1.09Å	1.11Å
C4	C1	sing	1.47Å	1.47Å
C4	C5	doub	1.33Å	1.37Å
C1	C3	doub	1.36Å	1.39Å	Aromatic
C1	C2	sing	1.46Å	1.49Å	Aromatic
C5	C6	sing	1.50Å	1.53Å
C5	H5	sing	1.08Å	1.10Å
C6	C7	sing	1.53Å	1.54Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å
C7	C8	sing	1.53Å	1.55Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.11Å
C8	C3	sing	1.50Å	1.50Å
C8	H81	sing	1.09Å	1.12Å
C8	H82	sing	1.09Å	1.12Å
C3	O1	sing	1.33Å	1.34Å	Aromatic
O1	N1	sing	1.22Å	1.45Å	Aromatic
N1	C2	doub	1.31Å	1.35Å	Aromatic
C2	O2	sing	1.36Å	1.27Å
O2	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	O4	HO4	125.2°	120.0°
O4	C11	O3	125.2°	120.0°
O4	C11	C10	118.9°	119.9°
O3	C11	C10	115.9°	120.1°
C11	C10	N2	111.5°	109.4°
C11	C10	C9	107.9°	109.6°
C11	C10	H10	110.3°	109.5°
N2	C10	C9	112.5°	109.5°
N2	C10	H10	105.4°	109.4°
C10	N2	HN21	111.4°	106.7°
C10	N2	HN22	111.5°	106.7°
C9	C10	H10	109.2°	109.4°
C10	C9	C4	114.5°	109.5°
C10	C9	H91	110.4°	109.5°
C10	C9	H92	110.4°	109.4°
HN21	N2	HN22	111.5°	106.7°
C4	C9	H91	110.4°	109.5°
C4	C9	H92	110.4°	109.5°
C9	C4	C1	119.2°	121.3°
C9	C4	C5	116.7°	121.3°
H91	C9	H92	99.9°	109.4°
C1	C4	C5	124.1°	117.4°
C4	C1	C3	128.1°	122.4°
C4	C1	C2	127.8°	133.2°
C4	C5	C6	129.4°	118.3°
C4	C5	H5	108.6°	120.9°
C3	C1	C2	104.1°	104.4°
C1	C3	C8	135.3°	122.7°
C1	C3	O1	111.7°	106.4°
C1	C2	N1	108.7°	104.3°
C1	C2	O2	127.3°	127.9°
C6	C5	H5	122.0°	120.8°
C5	C6	C7	114.9°	115.3°
C5	C6	H61	110.2°	108.4°
C5	C6	H62	110.2°	108.3°
C7	C6	H61	110.2°	108.3°
C7	C6	H62	110.3°	108.3°
C6	C7	C8	116.1°	109.3°
C6	C7	H71	109.8°	109.5°
C6	C7	H72	109.8°	109.6°
H61	C6	H62	100.0°	108.0°
C8	C7	H71	109.8°	109.5°
C8	C7	H72	109.8°	109.5°
C7	C8	C3	118.3°	109.8°
C7	C8	H81	109.0°	109.4°
C7	C8	H82	109.0°	109.4°
H71	C7	H72	100.4°	109.5°
C3	C8	H81	109.0°	109.4°
C3	C8	H82	109.0°	109.4°
C8	C3	O1	113.0°	130.9°
H81	C8	H82	101.1°	109.3°
C3	O1	N1	108.1°	112.7°
O1	N1	C2	107.3°	112.1°
N1	C2	O2	124.0°	127.8°
C2	O2	HO2	127.2°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C11	O3	C10	178.4°	180.0°
O4	C11	C10	N2	172.7°	150.0°
O4	C11	C10	C9	63.2°	90.0°
O4	C11	C10	H10	56.0°	30.1°
HO4	O4	C11	O3	180.0°	0.0°
HO4	O4	C11	C10	1.6°	179.9°
O3	C11	C10	N2	5.8°	30.0°
O3	C11	C10	C9	118.3°	90.0°
O3	C11	C10	H10	122.6°	150.0°
C11	C10	N2	C9	121.4°	120.1°
C11	C10	N2	H10	119.7°	120.0°
C11	C10	C9	H10	119.9°	120.1°
C11	C10	N2	HN21	54.7°	60.0°
C11	C10	N2	HN22	180.0°	173.8°
C11	C10	C9	C4	174.3°	179.9°
C11	C10	C9	H91	60.4°	60.0°
C11	C10	C9	H92	49.0°	59.9°
N2	C10	C9	H10	116.7°	119.9°
C10	N2	HN21	HN22	125.3°	113.8°
N2	C10	C9	C4	50.9°	60.0°
N2	C10	C9	H91	176.1°	180.0°
N2	C10	C9	H92	74.4°	60.0°
C9	C10	N2	HN21	66.7°	60.0°
C9	C10	N2	HN22	58.6°	53.7°
C10	C9	C4	H91	125.3°	120.0°
C10	C9	C4	H92	125.3°	120.0°
C10	C9	H91	H92	116.2°	119.9°
C10	C9	C4	C1	63.1°	90.3°
C10	C9	C4	C5	113.7°	90.0°
H10	C10	N2	HN21	174.4°	180.0°
H10	C10	N2	HN22	60.3°	66.2°
H10	C10	C9	C4	65.8°	60.0°
H10	C10	C9	H91	59.4°	60.1°
H10	C10	C9	H92	168.9°	180.0°
C4	C9	H91	H92	116.2°	120.0°
C9	C4	C1	C5	176.6°	179.7°
C9	C4	C1	C3	159.4°	133.8°
C9	C4	C1	C2	20.7°	47.2°
C9	C4	C5	C6	178.4°	172.4°
C9	C4	C5	H5	1.6°	7.5°
H91	C9	C4	C1	62.2°	29.8°
H91	C9	C4	C5	121.0°	150.0°
H92	C9	C4	C1	171.7°	149.7°
H92	C9	C4	C5	11.5°	30.0°
C4	C1	C3	C2	179.9°	179.3°
C1	C4	C5	C6	1.8°	7.9°
C1	C4	C5	H5	178.2°	172.2°
C4	C1	C3	C8	0.7°	0.9°
C4	C1	C3	O1	179.7°	179.3°
C4	C1	C2	N1	180.0°	179.2°
C4	C1	C2	O2	0.2°	1.0°
C5	C4	C1	C3	17.1°	45.9°
C5	C4	C1	C2	162.8°	133.1°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	C7	51.2°	80.9°
C4	C5	C6	H61	74.0°	157.6°
C4	C5	C6	H62	176.5°	40.6°
C1	C3	C8	C7	2.5°	72.5°
C1	C3	C8	O1	178.9°	179.7°
C1	C3	C8	H81	122.8°	47.6°
C1	C3	C8	H82	127.7°	167.4°
C1	C3	O1	N1	0.6°	0.1°
C3	C1	C2	N1	0.0°	0.1°
C3	C1	C2	O2	179.8°	179.9°
C2	C1	C3	C8	179.3°	179.8°
C2	C1	C3	O1	0.4°	0.0°
C1	C2	N1	O1	0.3°	0.1°
C1	C2	N1	O2	179.8°	179.8°
C1	C2	O2	HO2	180.0°	89.8°
C5	C6	C7	H61	125.3°	121.6°
C5	C6	C7	H62	125.3°	121.5°
C5	C6	H61	H62	116.0°	117.2°
C5	C6	C7	C8	72.8°	44.5°
C5	C6	C7	H71	161.9°	75.4°
C5	C6	C7	H72	52.5°	164.5°
H5	C5	C6	C7	128.8°	99.2°
H5	C5	C6	H61	106.0°	22.3°
H5	C5	C6	H62	3.5°	139.3°
C7	C6	H61	H62	116.1°	117.0°
C6	C7	C8	H71	125.3°	119.9°
C6	C7	C8	H72	125.3°	120.0°
C6	C7	H71	H72	115.6°	120.2°
C6	C7	C8	C3	43.2°	41.6°
C6	C7	C8	H81	82.1°	78.5°
C6	C7	C8	H82	168.4°	161.7°
H61	C6	C7	C8	52.5°	166.1°
H61	C6	C7	H71	72.8°	46.2°
H61	C6	C7	H72	177.7°	73.9°
H62	C6	C7	C8	161.9°	77.0°
H62	C6	C7	H71	36.7°	163.1°
H62	C6	C7	H72	72.8°	43.0°
C8	C7	H71	H72	115.6°	120.0°
C7	C8	C3	H81	125.3°	120.1°
C7	C8	C3	H82	125.2°	120.1°
C7	C8	H81	H82	114.8°	119.8°
C7	C8	C3	O1	176.4°	107.7°
H71	C7	C8	C3	168.5°	161.6°
H71	C7	C8	H81	43.2°	41.5°
H71	C7	C8	H82	66.3°	78.3°
H72	C7	C8	C3	82.1°	78.4°
H72	C7	C8	H81	152.7°	161.5°
H72	C7	C8	H82	43.2°	41.7°
C3	C8	H81	H82	114.8°	119.8°
C8	C3	O1	N1	179.8°	179.6°
H81	C8	C3	O1	58.3°	132.2°
H82	C8	C3	O1	51.2°	12.4°
C3	O1	N1	C2	0.6°	0.2°
O1	N1	C2	O2	179.9°	179.9°
N1	C2	O2	HO2	0.3°	89.9°

Definition date:	2004-12-16
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1WVJ