1TN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O23	N21	doub	1.22Å	1.17Å
O13	C04	sing	1.36Å	1.41Å
C05	C04	doub	1.39Å	1.40Å	Aromatic
C05	C06	sing	1.38Å	1.40Å	Aromatic
C04	C03	sing	1.39Å	1.39Å	Aromatic
C06	C07	sing	1.51Å	1.52Å
C06	C01	doub	1.38Å	1.39Å	Aromatic
C03	O14	sing	1.36Å	1.41Å
C03	C02	doub	1.39Å	1.41Å	Aromatic
O14	C15	sing	1.36Å	1.40Å
C07	C08	sing	1.53Å	1.53Å
C01	C02	sing	1.38Å	1.40Å	Aromatic
N21	O22	sing	1.22Å	1.17Å
N21	C16	sing	1.48Å	1.45Å
C15	C16	doub	1.39Å	1.40Å	Aromatic
C15	C20	sing	1.39Å	1.40Å	Aromatic
C16	C17	sing	1.38Å	1.40Å	Aromatic
C08	C09	sing	1.53Å	1.52Å
C09	C10	sing	1.53Å	1.53Å
C20	C19	doub	1.38Å	1.40Å	Aromatic
C17	C18	doub	1.38Å	1.40Å	Aromatic
C19	C18	sing	1.38Å	1.40Å	Aromatic
C10	C11	sing	1.53Å	1.52Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C17	H3	sing	1.08Å	1.08Å
C20	H4	sing	1.08Å	1.08Å
C01	H5	sing	1.08Å	1.08Å
C02	H6	sing	1.08Å	1.08Å
C05	H7	sing	1.08Å	1.08Å
C07	H8	sing	1.09Å	1.10Å
C07	H9	sing	1.09Å	1.10Å
C08	H10	sing	1.09Å	1.10Å
C09	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
O13	H15	sing	0.97Å	0.95Å
C18	H16	sing	1.08Å	1.08Å
C19	H17	sing	1.08Å	1.08Å
C11	C12	sing	1.53Å	45.56Å
C08	H18	sing	1.09Å	1.10Å
C09	H19	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	0.00Å
C12	H20	sing	1.09Å	0.00Å
C12	H21	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O23	N21	O22	119.9°	120.0°
O23	N21	C16	120.3°	120.0°
O13	C04	C05	120.5°	120.1°
O13	C04	C03	119.9°	120.1°
C04	O13	H15	109.5°	114.0°
C04	C05	C06	120.9°	120.0°
C05	C04	C03	119.6°	119.9°
C04	C05	H7	119.5°	120.0°
C05	C06	C07	119.2°	120.0°
C05	C06	C01	120.0°	120.1°
C06	C05	H7	119.6°	120.0°
C04	C03	O14	119.2°	120.1°
C04	C03	C02	119.6°	119.9°
C07	C06	C01	120.6°	119.9°
C06	C07	C08	111.9°	109.5°
C06	C07	H8	108.9°	109.5°
C06	C07	H9	108.9°	109.4°
C06	C01	C02	119.1°	120.2°
C06	C01	H5	120.4°	119.9°
O14	C03	C02	121.2°	120.1°
C03	O14	C15	118.0°	118.0°
C03	C02	C01	120.7°	119.9°
C03	C02	H6	119.6°	120.0°
O14	C15	C16	120.1°	120.0°
O14	C15	C20	120.3°	120.1°
C07	C08	C09	121.9°	109.5°
C08	C07	H8	108.9°	109.5°
C08	C07	H9	108.9°	109.5°
C07	C08	H10	106.3°	109.5°
C07	C08	H18	106.3°	109.4°
C02	C01	H5	120.4°	119.9°
C01	C02	H6	119.6°	120.0°
O22	N21	C16	119.8°	120.0°
N21	C16	C15	119.5°	120.0°
N21	C16	C17	120.0°	120.1°
C16	C15	C20	119.5°	119.9°
C15	C16	C17	120.5°	119.9°
C15	C20	C19	119.9°	120.0°
C15	C20	H4	120.1°	120.0°
C16	C17	C18	119.8°	120.1°
C16	C17	H3	120.1°	119.9°
C08	C09	C10	115.1°	109.4°
C09	C08	H10	106.3°	109.5°
C08	C09	H11	108.0°	109.5°
C09	C08	H18	106.3°	109.5°
C08	C09	H19	108.1°	109.5°
C09	C10	C11	118.0°	109.4°
C09	C10	H1	107.3°	109.5°
C09	C10	H2	107.3°	109.5°
C10	C09	H11	108.1°	109.5°
C10	C09	H19	108.1°	109.5°
C20	C19	C18	120.6°	120.1°
C19	C20	H4	120.1°	120.0°
C20	C19	H17	119.7°	120.0°
C17	C18	C19	119.7°	120.1°
C18	C17	H3	120.1°	120.0°
C17	C18	H16	120.2°	120.0°
C19	C18	H16	120.1°	119.9°
C18	C19	H17	119.7°	119.9°
C11	C10	H1	107.3°	109.5°
C11	C10	H2	107.3°	109.5°
C10	C11	H12	113.3°	109.5°
C10	C11	H13	113.3°	109.5°
C10	C11	C12	93.7°	109.5°
H1	C10	H2	109.5°	109.5°
H8	C07	H9	109.5°	109.5°
H10	C08	H18	109.5°	109.4°
H11	C09	H19	109.4°	109.5°
H12	C11	H13	109.4°	109.4°
H12	C11	C12	113.3°	109.5°
H13	C11	C12	113.3°	109.4°
C11	C12	H14	90.0°	109.5°
C11	C12	H20	90.0°	109.5°
C11	C12	H21	90.0°	109.5°
H14	C12	H20	90.0°	109.5°
H14	C12	H21	90.0°	109.5°
H20	C12	H21	90.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O23	N21	O22	C16	179.2°	179.9°
O23	N21	C16	C15	39.7°	0.0°
O23	N21	C16	C17	138.6°	180.0°
O13	C04	C05	C03	178.3°	179.9°
O13	C04	C05	C06	178.4°	179.8°
O13	C04	C03	O14	1.7°	0.0°
O13	C04	C03	C02	178.4°	180.0°
O13	C04	C05	H7	1.6°	0.1°
C04	C05	C06	H7	180.0°	179.7°
C04	C05	C06	C07	175.4°	180.0°
C04	C05	C06	C01	0.6°	0.5°
C05	C04	C03	O14	179.9°	179.9°
C05	C04	C03	C02	0.2°	0.1°
C05	C04	O13	H15	180.0°	90.0°
C06	C05	C04	C03	0.2°	0.3°
C05	C06	C07	C01	174.8°	179.5°
C05	C06	C07	C08	111.8°	90.0°
C05	C06	C01	C02	1.1°	0.5°
C05	C06	C01	H5	178.9°	179.7°
C05	C06	C07	H8	8.6°	150.0°
C05	C06	C07	H9	127.9°	30.0°
C04	C03	O14	C02	179.9°	180.0°
C04	C03	O14	C15	85.5°	85.7°
C04	C03	C02	C01	0.6°	0.0°
C04	C03	C02	H6	179.3°	180.0°
C03	C04	C05	H7	179.8°	180.0°
C03	C04	O13	H15	1.7°	90.1°
C06	C07	C08	H8	120.4°	120.0°
C06	C07	C08	H9	120.4°	120.0°
C07	C06	C01	C02	175.8°	180.0°
C06	C07	C08	C09	111.6°	180.0°
C07	C06	C01	H5	4.2°	0.2°
C07	C06	C05	H7	4.6°	0.2°
C06	C07	H8	H9	118.9°	120.0°
C06	C07	C08	H10	126.7°	60.0°
C06	C07	C08	H18	10.2°	60.0°
C06	C01	C02	C03	1.1°	0.2°
C01	C06	C07	C08	63.0°	90.5°
C06	C01	C02	H5	180.0°	179.8°
C06	C01	C02	H6	178.9°	179.8°
C01	C06	C05	H7	179.4°	179.8°
C01	C06	C07	H8	176.6°	29.5°
C01	C06	C07	H9	57.4°	149.6°
O14	C03	C02	C01	179.5°	180.0°
C03	O14	C15	C16	167.7°	174.5°
C03	O14	C15	C20	9.8°	5.3°
O14	C03	C02	H6	0.6°	0.0°
C02	C03	O14	C15	94.6°	94.4°
C03	C02	C01	H6	180.0°	180.0°
C03	C02	C01	H5	178.9°	180.0°
O14	C15	C16	N21	4.3°	0.3°
O14	C15	C16	C20	177.6°	179.8°
O14	C15	C16	C17	177.4°	179.8°
O14	C15	C20	C19	177.6°	179.7°
O14	C15	C20	H4	2.4°	0.2°
C07	C08	C09	H10	121.8°	120.0°
C07	C08	C09	H18	121.7°	120.0°
C07	C08	C09	C10	164.4°	180.0°
C08	C07	H8	H9	118.9°	120.0°
C07	C08	H10	H18	114.4°	119.9°
C07	C08	C09	H11	43.5°	60.0°
C07	C08	C09	H19	74.8°	60.0°
O22	N21	C16	C15	139.5°	179.9°
O22	N21	C16	C17	42.3°	0.1°
N21	C16	C15	C17	178.3°	180.0°
N21	C16	C15	C20	178.1°	179.9°
N21	C16	C17	C18	178.3°	179.9°
N21	C16	C17	H3	1.7°	0.1°
C16	C15	C20	C19	0.0°	0.1°
C15	C16	C17	C18	0.0°	0.0°
C15	C16	C17	H3	180.0°	180.0°
C16	C15	C20	H4	180.0°	180.0°
C20	C15	C16	C17	0.2°	0.0°
C15	C20	C19	H4	180.0°	179.9°
C15	C20	C19	C18	0.3°	0.1°
C15	C20	C19	H17	179.7°	179.9°
C16	C17	C18	H3	180.0°	180.0°
C16	C17	C18	C19	0.3°	0.1°
C16	C17	C18	H16	179.7°	180.0°
C08	C09	C10	H11	120.8°	120.0°
C08	C09	C10	H19	120.8°	120.0°
C08	C09	C10	C11	155.4°	180.0°
C08	C09	C10	H1	34.2°	60.0°
C08	C09	C10	H2	83.4°	60.0°
C09	C08	C07	H8	8.8°	60.0°
C09	C08	C07	H9	128.0°	60.0°
C09	C08	H10	H18	114.4°	120.1°
C08	C09	H11	H19	117.4°	120.0°
C09	C10	C11	H1	121.2°	120.0°
C09	C10	C11	H2	121.2°	120.1°
C09	C10	H1	H2	116.2°	120.1°
C10	C09	C08	H10	73.9°	60.0°
C10	C09	H11	H19	117.5°	120.0°
C09	C10	C11	H12	142.8°	60.0°
C09	C10	C11	H13	91.8°	60.0°
C09	C10	C11	C12	25.5°	180.0°
C10	C09	C08	H18	42.7°	60.0°
C20	C19	C18	C17	0.5°	0.1°
C20	C19	C18	H17	180.0°	179.9°
C20	C19	C18	H16	179.5°	179.9°
C17	C18	C19	H16	180.0°	180.0°
C17	C18	C19	H17	179.5°	180.0°
C19	C18	C17	H3	179.7°	179.9°
C18	C19	C20	H4	179.7°	180.0°
C11	C10	H1	H2	116.1°	120.0°
C11	C10	C09	H11	83.8°	60.0°
C10	C11	H12	H13	127.5°	120.1°
C10	C11	H12	C12	105.1°	120.0°
C10	C11	H13	C12	105.1°	120.0°
C11	C10	C09	H19	34.5°	60.0°
C10	C11	C12	H14	90.0°	60.0°
C10	C11	C12	H20	90.0°	60.0°
C10	C11	C12	H21	90.0°	179.9°
H1	C10	C09	H11	155.0°	60.0°
H1	C10	C11	H12	21.6°	NaN°
H1	C10	C11	H13	147.0°	60.0°
H1	C10	C11	C12	95.7°	60.0°
H1	C10	C09	H19	86.7°	180.0°
H2	C10	C09	H11	37.4°	180.0°
H2	C10	C11	H12	96.0°	60.0°
H2	C10	C11	H13	29.4°	180.0°
H2	C10	C11	C12	146.7°	60.0°
H2	C10	C09	H19	155.7°	60.0°
H3	C17	C18	H16	0.3°	0.0°
H4	C20	C19	H17	0.4°	0.1°
H5	C01	C02	H6	1.1°	0.0°
H8	C07	C08	H10	112.9°	180.0°
H8	C07	C08	H18	130.5°	60.1°
H9	C07	C08	H10	6.3°	60.0°
H9	C07	C08	H18	110.2°	179.9°
H10	C08	C09	H11	165.3°	60.0°
H10	C08	C09	H19	47.0°	NaN°
H11	C09	C08	H18	78.2°	180.0°
H12	C11	H13	C12	127.4°	119.9°
H12	C11	C12	H14	90.0°	NaN°
H12	C11	C12	H20	90.0°	60.0°
H12	C11	C12	H21	90.0°	60.0°
H13	C11	C12	H14	90.0°	60.1°
H13	C11	C12	H20	90.0°	179.9°
H13	C11	C12	H21	90.0°	60.0°
H16	C18	C19	H17	0.5°	0.0°
C11	C12	H14	H20	90.0°	120.0°
C11	C12	H14	H21	90.0°	120.0°
C11	C12	H20	H21	90.0°	120.0°
H18	C08	C09	H19	163.5°	60.0°
H14	C12	H20	H21	90.0°	120.0°

Release date:	2014-04-30
Definition date:	2014-02-10
Last modified:	2014-09-05
Release status:	REL
Processing site:	RCSB
Derived from:	4OXY