10T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C4	sing	1.53Å	1.51Å
C5	C4	sing	1.51Å	1.52Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C17	C5	doub	1.38Å	1.39Å	Aromatic
N6	C5	sing	1.32Å	1.36Å	Aromatic
C12	C7	sing	1.39Å	1.39Å	Aromatic
C7	C8	sing	1.51Å	1.52Å
C7	N6	doub	1.32Å	1.36Å	Aromatic
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C8	H8B	sing	1.09Å	1.10Å
O14	C13	doub	1.21Å	1.24Å
C13	C12	sing	1.48Å	1.50Å
C13	O15	sing	1.35Å	1.25Å
C16	C17	sing	1.40Å	1.39Å	Aromatic
C17	C18	sing	1.51Å	1.52Å
C21	C20	doub	1.39Å	1.39Å	Aromatic
C20	C16	sing	1.48Å	1.49Å	Aromatic
C20	C26	sing	1.39Å	1.40Å	Aromatic
C22	C21	sing	1.38Å	1.39Å	Aromatic
C21	H21	sing	1.08Å	1.08Å
C22	C23	doub	1.38Å	1.40Å	Aromatic
C22	H22	sing	1.08Å	1.08Å
C24	C23	sing	1.51Å	1.51Å
C24	H24	sing	1.09Å	1.10Å
C24	H24A	sing	1.09Å	1.10Å
C24	H24B	sing	1.09Å	1.10Å
C25	C26	doub	1.38Å	1.40Å	Aromatic
C26	H26	sing	1.08Å	1.08Å
O15	HO15	sing	0.97Å	0.95Å
C12	C16	doub	1.41Å	1.40Å	Aromatic
C23	C25	sing	1.38Å	1.40Å	Aromatic
C25	H25	sing	1.08Å	1.08Å
C18	N19	sing	1.47Å	1.45Å
C18	H18	sing	1.09Å	1.10Å
C18	H18A	sing	1.09Å	1.10Å
N19	HN19	sing	1.01Å	1.00Å
N19	HN1A	sing	1.01Å	1.00Å
C3	C2	sing	1.53Å	1.53Å
C2	C1	sing	1.53Å	1.52Å
C2	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C3	H3B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C4	C5	113.1°	109.5°
C2	C4	H4	108.3°	109.5°
C2	C4	H4A	108.3°	109.5°
C4	C2	C3	110.3°	109.5°
C4	C2	C1	109.7°	109.5°
C4	C2	H2	109.7°	109.5°
C5	C4	H4	108.3°	109.5°
C5	C4	H4A	108.3°	109.5°
C4	C5	C17	121.7°	119.4°
C4	C5	N6	118.6°	119.4°
H4	C4	H4A	110.6°	109.5°
C17	C5	N6	119.6°	121.2°
C5	C17	C16	119.2°	119.2°
C5	C17	C18	120.7°	120.4°
C5	N6	C7	122.4°	122.2°
C12	C7	C8	120.9°	119.7°
C12	C7	N6	119.4°	120.7°
C7	C12	C13	119.3°	120.7°
C7	C12	C16	119.3°	118.7°
C8	C7	N6	119.7°	119.7°
C7	C8	H8	109.5°	109.4°
C7	C8	H8A	109.5°	109.5°
C7	C8	H8B	109.5°	109.5°
H8	C8	H8A	109.4°	109.4°
H8	C8	H8B	109.5°	109.5°
H8A	C8	H8B	109.4°	109.5°
O14	C13	C12	119.0°	120.0°
O14	C13	O15	121.4°	120.0°
C12	C13	O15	119.6°	120.0°
C13	C12	C16	121.4°	120.6°
C13	O15	HO15	109.5°	117.0°
C16	C17	C18	120.1°	120.4°
C17	C16	C20	117.9°	121.0°
C17	C16	C12	120.0°	118.0°
C17	C18	N19	109.7°	109.5°
C17	C18	H18	109.4°	109.5°
C17	C18	H18A	109.4°	109.5°
C21	C20	C16	119.1°	120.1°
C21	C20	C26	120.8°	119.7°
C20	C21	C22	119.6°	119.8°
C20	C21	H21	120.2°	120.1°
C16	C20	C26	120.0°	120.1°
C20	C16	C12	122.0°	121.0°
C20	C26	C25	119.6°	119.9°
C20	C26	H26	120.2°	120.1°
C22	C21	H21	120.2°	120.1°
C21	C22	C23	119.8°	120.2°
C21	C22	H22	120.1°	119.9°
C23	C22	H22	120.1°	119.9°
C22	C23	C24	118.8°	119.9°
C22	C23	C25	120.8°	120.3°
C23	C24	H24	109.5°	109.5°
C23	C24	H24A	109.5°	109.5°
C23	C24	H24B	109.5°	109.4°
C24	C23	C25	120.4°	119.8°
H24	C24	H24A	109.4°	109.5°
H24	C24	H24B	109.5°	109.4°
H24A	C24	H24B	109.5°	109.5°
C25	C26	H26	120.2°	120.0°
C26	C25	C23	119.4°	120.1°
C26	C25	H25	120.3°	120.0°
C23	C25	H25	120.3°	119.9°
N19	C18	H18	109.4°	109.5°
N19	C18	H18A	109.4°	109.4°
C18	N19	HN19	109.5°	111.0°
C18	N19	HN1A	109.5°	111.0°
H18	C18	H18A	109.5°	109.4°
HN19	N19	HN1A	109.5°	110.9°
C3	C2	C1	112.0°	109.5°
C3	C2	H2	107.2°	109.4°
C2	C3	H3	109.5°	109.5°
C2	C3	H3A	109.4°	109.5°
C2	C3	H3B	109.4°	109.4°
C1	C2	H2	107.8°	109.5°
C2	C1	H1	109.5°	109.5°
C2	C1	H1A	109.4°	109.5°
C2	C1	H1B	109.4°	109.5°
H1	C1	H1A	109.5°	109.4°
H1	C1	H1B	109.5°	109.5°
H1A	C1	H1B	109.5°	109.5°
H3	C3	H3A	109.5°	109.6°
H3	C3	H3B	109.5°	109.5°
H3A	C3	H3B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C4	C5	H4	120.0°	120.0°
C2	C4	C5	H4A	120.0°	120.0°
C2	C4	H4	H4A	118.5°	120.0°
C2	C4	C5	C17	90.3°	90.0°
C2	C4	C5	N6	90.5°	90.3°
C4	C2	C3	C1	122.5°	120.0°
C4	C2	C3	H2	119.4°	120.0°
C4	C2	C1	H2	119.4°	120.0°
C4	C2	C1	H1	180.0°	60.0°
C4	C2	C1	H1A	60.0°	180.0°
C4	C2	C1	H1B	60.0°	60.0°
C4	C2	C3	H3	180.0°	59.9°
C4	C2	C3	H3A	60.0°	180.0°
C4	C2	C3	H3B	60.0°	60.0°
C5	C4	H4	H4A	118.5°	120.0°
C4	C5	C17	N6	179.2°	179.7°
C4	C5	N6	C7	179.5°	179.9°
C4	C5	C17	C16	179.3°	180.0°
C4	C5	C17	C18	0.5°	0.1°
C5	C4	C2	C3	56.3°	175.0°
C5	C4	C2	C1	179.8°	65.0°
C5	C4	C2	H2	61.6°	55.0°
H4	C4	C5	C17	149.7°	150.0°
H4	C4	C5	N6	29.5°	29.7°
H4	C4	C2	C3	63.7°	65.0°
H4	C4	C2	C1	60.2°	55.0°
H4	C4	C2	H2	178.4°	175.0°
H4A	C4	C5	C17	29.7°	30.0°
H4A	C4	C5	N6	149.5°	149.7°
H4A	C4	C2	C3	176.3°	55.0°
H4A	C4	C2	C1	59.8°	175.0°
H4A	C4	C2	H2	58.4°	65.0°
C17	C5	N6	C7	0.3°	0.2°
C5	C17	C16	C18	179.8°	179.9°
C5	C17	C16	C20	179.4°	180.0°
C5	C17	C16	C12	0.4°	0.0°
C5	C17	C18	N19	106.2°	85.9°
C5	C17	C18	H18	13.8°	154.0°
C5	C17	C18	H18A	133.8°	34.1°
C5	N6	C7	C12	0.8°	0.1°
C5	N6	C7	C8	179.9°	180.0°
N6	C5	C17	C16	0.2°	0.3°
N6	C5	C17	C18	179.6°	179.8°
C12	C7	C8	N6	179.1°	180.0°
C12	C7	C8	H8	179.1°	90.0°
C12	C7	C8	H8A	59.1°	30.0°
C12	C7	C8	H8B	60.9°	150.0°
C7	C12	C13	O14	107.6°	89.9°
C7	C12	C13	C16	179.9°	179.8°
C7	C12	C13	O15	72.8°	90.0°
C7	C12	C16	C17	0.8°	0.2°
C7	C12	C16	C20	179.7°	179.7°
C7	C8	H8	H8A	120.0°	120.0°
C7	C8	H8	H8B	120.0°	120.0°
C7	C8	H8A	H8B	120.0°	120.1°
C8	C7	C12	C13	0.0°	0.1°
C8	C7	C12	C16	179.9°	179.7°
N6	C7	C8	H8	0.0°	90.0°
N6	C7	C8	H8A	120.0°	150.1°
N6	C7	C8	H8B	120.0°	30.0°
N6	C7	C12	C13	179.1°	179.9°
N6	C7	C12	C16	1.0°	0.3°
H8	C8	H8A	H8B	120.0°	120.0°
O14	C13	C12	O15	179.7°	180.0°
O14	C13	O15	HO15	0.0°	0.0°
O14	C13	C12	C16	72.3°	90.3°
C13	C12	C16	C17	179.3°	180.0°
C13	C12	C16	C20	0.4°	0.1°
C12	C13	O15	HO15	179.6°	180.0°
O15	C13	C12	C16	107.4°	89.8°
C17	C16	C20	C21	67.5°	68.4°
C17	C16	C20	C12	178.9°	180.0°
C17	C16	C20	C26	110.7°	111.3°
C16	C17	C18	N19	73.6°	94.2°
C16	C17	C18	H18	166.4°	25.9°
C16	C17	C18	H18A	46.4°	145.9°
C18	C17	C16	C20	0.4°	0.0°
C18	C17	C16	C12	179.4°	180.0°
C17	C18	N19	H18	120.0°	120.1°
C17	C18	N19	H18A	120.0°	120.0°
C17	C18	H18	H18A	119.9°	120.0°
C17	C18	N19	HN19	180.0°	62.4°
C17	C18	N19	HN1A	60.0°	173.7°
C21	C20	C16	C26	178.2°	179.7°
C20	C21	C22	H21	180.0°	180.0°
C20	C21	C22	C23	0.2°	0.0°
C20	C21	C22	H22	179.8°	180.0°
C21	C20	C26	C25	1.1°	0.2°
C21	C20	C26	H26	178.9°	179.7°
C21	C20	C16	C12	113.6°	111.6°
C16	C20	C21	C22	178.6°	180.0°
C16	C20	C21	H21	1.4°	0.0°
C16	C20	C26	C25	179.2°	180.0°
C16	C20	C26	H26	0.8°	0.0°
C26	C20	C21	C22	0.4°	0.2°
C26	C20	C21	H21	179.6°	179.8°
C20	C26	C25	H26	180.0°	179.9°
C26	C20	C16	C12	68.2°	68.7°
C20	C26	C25	C23	1.1°	0.1°
C20	C26	C25	H25	178.8°	179.7°
C21	C22	C23	H22	180.0°	180.0°
C21	C22	C23	C24	179.6°	180.0°
C21	C22	C23	C25	0.1°	0.3°
H21	C21	C22	C23	179.8°	180.0°
H21	C21	C22	H22	0.2°	0.0°
C22	C23	C24	C25	179.7°	179.7°
C22	C23	C24	H24	89.9°	90.0°
C22	C23	C24	H24A	150.2°	150.0°
C22	C23	C24	H24B	30.1°	30.0°
C22	C23	C25	C26	0.6°	0.3°
C22	C23	C25	H25	179.4°	180.0°
H22	C22	C23	C24	0.4°	0.0°
H22	C22	C23	C25	179.9°	179.7°
C23	C24	H24	H24A	120.0°	120.0°
C23	C24	H24	H24B	120.0°	119.9°
C23	C24	H24A	H24B	120.0°	120.0°
C24	C23	C25	C26	179.8°	180.0°
C24	C23	C25	H25	0.3°	0.3°
H24	C24	H24A	H24B	120.0°	120.0°
H24	C24	C23	C25	89.8°	89.8°
H24A	C24	C23	C25	30.2°	30.3°
H24B	C24	C23	C25	150.2°	150.3°
C26	C25	C23	H25	180.0°	179.7°
H26	C26	C25	C23	178.9°	180.0°
H26	C26	C25	H25	1.2°	0.3°
N19	C18	H18	H18A	119.9°	119.9°
C18	N19	HN19	HN1A	120.0°	124.0°
H18	C18	N19	HN19	60.0°	57.7°
H18	C18	N19	HN1A	180.0°	66.2°
H18A	C18	N19	HN19	60.0°	177.6°
H18A	C18	N19	HN1A	60.0°	53.7°
C3	C2	C1	H2	117.8°	120.0°
C3	C2	C1	H1	57.1°	60.0°
C3	C2	C1	H1A	177.2°	59.9°
C3	C2	C1	H1B	62.8°	180.0°
C2	C3	H3	H3A	120.0°	120.0°
C2	C3	H3	H3B	120.0°	119.9°
C2	C3	H3A	H3B	120.0°	119.9°
C2	C1	H1	H1A	120.0°	120.0°
C2	C1	H1	H1B	120.0°	120.0°
C2	C1	H1A	H1B	120.0°	120.1°
C1	C2	C3	H3	57.5°	179.9°
C1	C2	C3	H3A	62.5°	60.0°
C1	C2	C3	H3B	177.5°	60.0°
H2	C2	C1	H1	60.6°	180.0°
H2	C2	C1	H1A	59.4°	60.0°
H2	C2	C1	H1B	179.4°	60.1°
H2	C2	C3	H3	60.6°	60.1°
H2	C2	C3	H3A	179.4°	60.0°
H2	C2	C3	H3B	59.4°	180.0°
H1	C1	H1A	H1B	120.0°	120.0°
H3	C3	H3A	H3B	120.0°	120.0°

Definition date:	2010-08-06
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	3O9V