989

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O22	C21	sing	1.35Å	1.35Å
O22	H22	sing	0.97Å	0.95Å
C21	O23	doub	1.21Å	1.20Å
C21	C18	sing	1.49Å	1.56Å
C18	O20	doub	1.21Å	1.23Å
C18	N17	sing	1.35Å	1.42Å
N17	C19	sing	1.39Å	1.46Å
N17	C10	sing	1.40Å	1.42Å
C19	C28	doub	1.39Å	1.44Å	Aromatic
C19	C24	sing	1.40Å	1.47Å	Aromatic
C28	C27	sing	1.38Å	1.41Å	Aromatic
C28	H28	sing	1.08Å	1.10Å
C27	C26	doub	1.38Å	1.40Å	Aromatic
C27	H27	sing	1.08Å	1.10Å
C26	C25	sing	1.38Å	1.40Å	Aromatic
C26	H26	sing	1.08Å	1.10Å
C25	C24	doub	1.40Å	1.43Å	Aromatic
C25	H25	sing	1.08Å	1.10Å
C24	C33	sing	1.47Å	1.49Å
C33	O34	doub	1.21Å	1.19Å
C33	O35	sing	1.35Å	1.35Å
O35	H35	sing	0.97Å	0.95Å
C10	C9	doub	1.38Å	1.44Å	Aromatic
C10	C4	sing	1.41Å	1.46Å	Aromatic
C9	C8	sing	1.39Å	1.40Å	Aromatic
C9	H9	sing	1.08Å	1.10Å
C8	C7	doub	1.36Å	1.42Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C7	C3	sing	1.41Å	1.47Å	Aromatic
C7	C36	sing	1.51Å	1.53Å
C3	C4	doub	1.42Å	1.46Å	Aromatic
C3	C2	sing	1.41Å	1.45Å	Aromatic
C4	C5	sing	1.40Å	1.44Å	Aromatic
C5	C6	doub	1.36Å	1.42Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	C1	sing	1.39Å	1.42Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C1	C2	doub	1.36Å	1.42Å	Aromatic
C1	H1	sing	1.08Å	1.10Å
C2	H2	sing	1.08Å	1.10Å
C36	C37	sing	1.53Å	1.56Å
C36	H361	sing	1.09Å	1.12Å
C36	H362	sing	1.09Å	1.11Å
C37	N41	sing	1.46Å	1.47Å
C37	C40	sing	1.51Å	1.55Å
C37	H37	sing	1.09Å	1.12Å
N41	C61	sing	1.35Å	1.35Å
N41	H41	sing	0.97Å	1.02Å
C61	O66	doub	1.21Å	1.23Å
C61	C62	sing	1.51Å	1.52Å
C62	H621	sing	1.09Å	1.12Å
C62	H622	sing	1.09Å	1.12Å
C62	H623	sing	1.09Å	1.11Å
C40	O43	doub	1.21Å	1.23Å
C40	N44	sing	1.35Å	1.36Å
N44	C45	sing	1.46Å	1.46Å
N44	H44	sing	0.97Å	1.02Å
C45	C46	sing	1.53Å	1.54Å
C45	H451	sing	1.09Å	1.12Å
C45	H452	sing	1.09Å	1.12Å
C46	C49	sing	1.53Å	1.54Å
C46	H461	sing	1.09Å	1.11Å
C46	H462	sing	1.09Å	1.12Å
C49	C52	sing	1.53Å	1.54Å
C49	H491	sing	1.09Å	1.11Å
C49	H492	sing	1.09Å	1.11Å
C52	C55	sing	1.53Å	1.53Å
C52	H521	sing	1.09Å	1.12Å
C52	H522	sing	1.09Å	1.12Å
C55	H551	sing	1.09Å	1.12Å
C55	H552	sing	1.09Å	1.11Å
C55	H553	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C21	O22	H22	121.8°	120.0°
O22	C21	O23	121.9°	120.0°
O22	C21	C18	117.4°	120.0°
O23	C21	C18	120.8°	120.0°
C21	C18	O20	115.6°	120.0°
C21	C18	N17	121.9°	120.0°
O20	C18	N17	122.4°	120.0°
C18	N17	C19	121.9°	120.0°
C18	N17	C10	119.3°	120.0°
C19	N17	C10	118.8°	120.0°
N17	C19	C28	116.7°	120.2°
N17	C19	C24	127.1°	120.2°
N17	C10	C9	117.1°	120.3°
N17	C10	C4	124.7°	120.3°
C28	C19	C24	116.2°	119.6°
C19	C28	C27	122.7°	120.1°
C19	C28	H28	120.0°	119.9°
C19	C24	C25	118.9°	119.6°
C19	C24	C33	126.1°	120.2°
C27	C28	H28	117.2°	120.0°
C28	C27	C26	120.2°	120.4°
C28	C27	H27	120.2°	119.8°
C26	C27	H27	119.6°	119.8°
C27	C26	C25	119.6°	120.4°
C27	C26	H26	120.0°	119.8°
C25	C26	H26	120.4°	119.8°
C26	C25	C24	122.3°	119.9°
C26	C25	H25	117.8°	120.0°
C24	C25	H25	119.8°	120.1°
C25	C24	C33	115.0°	120.2°
C24	C33	O34	123.3°	119.9°
C24	C33	O35	115.9°	120.0°
O34	C33	O35	120.8°	120.0°
C33	O35	H35	115.9°	120.0°
C9	C10	C4	118.2°	119.3°
C10	C9	C8	122.0°	120.8°
C10	C9	H9	120.5°	119.6°
C10	C4	C3	119.9°	119.3°
C10	C4	C5	120.9°	121.2°
C8	C9	H9	117.6°	119.6°
C9	C8	C7	121.5°	121.1°
C9	C8	H8	118.4°	119.4°
C7	C8	H8	120.1°	119.5°
C8	C7	C3	118.9°	120.0°
C8	C7	C36	117.6°	120.0°
C3	C7	C36	123.5°	120.0°
C7	C3	C4	119.6°	119.5°
C7	C3	C2	122.2°	121.1°
C7	C36	C37	111.9°	109.5°
C7	C36	H361	111.3°	109.5°
C7	C36	H362	111.3°	109.6°
C4	C3	C2	118.3°	119.3°
C3	C4	C5	119.2°	119.4°
C3	C2	C1	121.2°	119.6°
C3	C2	H2	120.4°	120.2°
C4	C5	C6	120.8°	119.7°
C4	C5	H5	120.3°	120.1°
C6	C5	H5	118.9°	120.2°
C5	C6	C1	120.3°	121.0°
C5	C6	H6	119.8°	119.6°
C1	C6	H6	119.9°	119.5°
C6	C1	C2	120.1°	121.0°
C6	C1	H1	120.1°	119.5°
C2	C1	H1	119.8°	119.5°
C1	C2	H2	118.3°	120.2°
C37	C36	H361	111.3°	109.5°
C37	C36	H362	111.3°	109.5°
C36	C37	N41	108.4°	109.5°
C36	C37	C40	113.9°	109.5°
C36	C37	H37	107.8°	109.4°
H361	C36	H362	99.1°	109.4°
N41	C37	C40	111.2°	109.5°
N41	C37	H37	110.7°	109.5°
C37	N41	C61	121.1°	120.0°
C37	N41	H41	123.7°	120.0°
C40	C37	H37	104.8°	109.5°
C37	C40	O43	118.1°	120.0°
C37	C40	N44	119.7°	120.0°
C61	N41	H41	115.2°	120.0°
N41	C61	O66	125.2°	120.0°
N41	C61	C62	113.7°	120.0°
O66	C61	C62	121.1°	120.0°
C61	C62	H621	113.7°	109.5°
C61	C62	H622	110.7°	109.4°
C61	C62	H623	110.7°	109.5°
H621	C62	H622	110.6°	109.5°
H621	C62	H623	110.7°	109.5°
H622	C62	H623	99.7°	109.5°
O43	C40	N44	122.2°	120.0°
C40	N44	C45	126.1°	120.0°
C40	N44	H44	112.8°	119.9°
C45	N44	H44	121.1°	120.1°
N44	C45	C46	112.5°	109.4°
N44	C45	H451	111.1°	109.5°
N44	C45	H452	111.1°	109.5°
C46	C45	H451	111.1°	109.5°
C46	C45	H452	111.1°	109.5°
C45	C46	C49	112.5°	109.5°
C45	C46	H461	111.1°	109.4°
C45	C46	H462	111.1°	109.5°
H451	C45	H452	99.2°	109.5°
C49	C46	H461	111.2°	109.5°
C49	C46	H462	111.1°	109.5°
C46	C49	C52	112.1°	109.5°
C46	C49	H491	111.2°	109.5°
C46	C49	H492	111.2°	109.5°
H461	C46	H462	99.2°	109.5°
C52	C49	H491	111.2°	109.4°
C52	C49	H492	111.2°	109.5°
C49	C52	C55	112.9°	109.5°
C49	C52	H521	110.9°	109.4°
C49	C52	H522	110.9°	109.5°
H491	C49	H492	99.1°	109.5°
C55	C52	H521	111.0°	109.5°
C55	C52	H522	111.0°	109.5°
C52	C55	H551	112.9°	109.5°
C52	C55	H552	110.9°	109.5°
C52	C55	H553	110.9°	109.5°
H521	C52	H522	99.3°	109.5°
H551	C55	H552	111.0°	109.4°
H551	C55	H553	111.0°	109.5°
H552	C55	H553	99.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O22	C21	O23	C18	178.6°	180.0°
O22	C21	C18	O20	102.7°	0.0°
O22	C21	C18	N17	77.1°	180.0°
H22	O22	C21	O23	180.0°	0.0°
H22	O22	C21	C18	1.3°	180.0°
O23	C21	C18	O20	78.6°	180.0°
O23	C21	C18	N17	101.6°	0.0°
C21	C18	O20	N17	179.8°	180.0°
C21	C18	N17	C19	179.4°	180.0°
C21	C18	N17	C10	3.1°	0.0°
O20	C18	N17	C19	0.4°	0.0°
O20	C18	N17	C10	177.1°	180.0°
C18	N17	C19	C10	177.5°	180.0°
C18	N17	C19	C28	127.4°	97.9°
C18	N17	C19	C24	53.0°	82.3°
C18	N17	C10	C9	75.1°	95.9°
C18	N17	C10	C4	105.0°	84.1°
N17	C19	C28	C24	179.6°	179.8°
N17	C19	C28	C27	179.7°	179.9°
N17	C19	C28	H28	0.3°	0.0°
N17	C19	C24	C25	179.6°	179.7°
N17	C19	C24	C33	0.4°	0.3°
C19	N17	C10	C9	102.5°	84.1°
C19	N17	C10	C4	77.4°	95.9°
C10	N17	C19	C28	50.1°	82.1°
C10	N17	C19	C24	129.5°	97.7°
N17	C10	C9	C4	179.9°	179.9°
N17	C10	C9	C8	179.7°	179.9°
N17	C10	C9	H9	0.2°	0.0°
N17	C10	C4	C3	179.7°	179.8°
N17	C10	C4	C5	0.1°	0.0°
C19	C28	C27	H28	180.0°	179.9°
C19	C28	C27	C26	0.1°	0.1°
C19	C28	C27	H27	179.9°	180.0°
C28	C19	C24	C25	0.0°	0.5°
C28	C19	C24	C33	180.0°	180.0°
C24	C19	C28	C27	0.0°	0.2°
C24	C19	C28	H28	180.0°	179.7°
C19	C24	C25	C26	0.1°	0.6°
C19	C24	C25	C33	180.0°	179.4°
C19	C24	C25	H25	180.0°	179.7°
C19	C24	C33	O34	40.8°	5.5°
C19	C24	C33	O35	138.7°	174.4°
C28	C27	C26	H27	180.0°	179.9°
C28	C27	C26	C25	0.1°	0.1°
C28	C27	C26	H26	179.9°	180.0°
H28	C28	C27	C26	179.9°	180.0°
H28	C28	C27	H27	0.1°	0.1°
C27	C26	C25	H26	180.0°	180.0°
C27	C26	C25	C24	0.1°	0.3°
C27	C26	C25	H25	179.9°	180.0°
H27	C27	C26	C25	179.9°	180.0°
H27	C27	C26	H26	0.1°	0.1°
C26	C25	C24	H25	180.0°	179.8°
C26	C25	C24	C33	180.0°	180.0°
H26	C26	C25	C24	179.9°	179.7°
H26	C26	C25	H25	0.1°	0.1°
C25	C24	C33	O34	139.2°	173.9°
C25	C24	C33	O35	41.2°	6.1°
H25	C25	C24	C33	0.0°	0.2°
C24	C33	O34	O35	179.6°	180.0°
C24	C33	O35	H35	180.0°	180.0°
O34	C33	O35	H35	0.5°	0.0°
C10	C9	C8	H9	180.0°	179.9°
C10	C9	C8	C7	0.1°	0.1°
C10	C9	C8	H8	180.0°	180.0°
C9	C10	C4	C3	0.2°	0.2°
C9	C10	C4	C5	180.0°	180.0°
C4	C10	C9	C8	0.1°	0.0°
C4	C10	C9	H9	179.9°	179.9°
C10	C4	C3	C7	0.1°	0.4°
C10	C4	C3	C5	179.8°	179.8°
C10	C4	C3	C2	179.8°	179.8°
C10	C4	C5	C6	179.9°	180.0°
C10	C4	C5	H5	0.0°	0.0°
C9	C8	C7	H8	180.0°	179.9°
C9	C8	C7	C3	0.2°	0.3°
C9	C8	C7	C36	179.5°	180.0°
H9	C9	C8	C7	179.9°	180.0°
H9	C9	C8	H8	0.1°	0.0°
C8	C7	C3	C36	179.6°	179.7°
C8	C7	C3	C4	0.1°	0.5°
C8	C7	C3	C2	180.0°	179.8°
C8	C7	C36	C37	100.8°	90.0°
C8	C7	C36	H361	24.4°	30.0°
C8	C7	C36	H362	134.0°	149.9°
H8	C8	C7	C3	179.9°	179.7°
H8	C8	C7	C36	0.5°	0.1°
C7	C3	C4	C2	179.9°	179.3°
C7	C3	C4	C5	179.9°	179.8°
C7	C3	C2	C1	180.0°	179.7°
C7	C3	C2	H2	0.1°	0.4°
C3	C7	C36	C37	78.9°	90.3°
C3	C7	C36	H361	155.9°	149.7°
C3	C7	C36	H362	46.4°	29.7°
C36	C7	C3	C4	179.5°	179.8°
C36	C7	C3	C2	0.4°	0.5°
C7	C36	C37	H361	125.2°	120.0°
C7	C36	C37	H362	125.3°	120.1°
C7	C36	H361	H362	117.2°	120.1°
C7	C36	C37	N41	179.3°	59.9°
C7	C36	C37	C40	56.4°	180.0°
C7	C36	C37	H37	59.4°	60.1°
C3	C4	C5	C6	0.1°	0.2°
C3	C4	C5	H5	179.8°	179.8°
C4	C3	C2	C1	0.1°	0.4°
C4	C3	C2	H2	179.9°	179.7°
C2	C3	C4	C5	0.1°	0.4°
C3	C2	C1	C6	0.1°	0.2°
C3	C2	C1	H2	179.9°	179.8°
C3	C2	C1	H1	179.9°	179.8°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C1	0.1°	0.0°
C4	C5	C6	H6	180.0°	180.0°
C5	C6	C1	H6	179.9°	180.0°
C5	C6	C1	C2	0.1°	0.0°
C5	C6	C1	H1	179.9°	180.0°
H5	C5	C6	C1	179.9°	180.0°
H5	C5	C6	H6	0.1°	0.0°
C6	C1	C2	H1	180.0°	180.0°
C6	C1	C2	H2	179.8°	180.0°
H6	C6	C1	C2	179.9°	180.0°
H6	C6	C1	H1	0.1°	0.0°
H1	C1	C2	H2	0.2°	0.1°
C37	C36	H361	H362	117.2°	119.9°
C36	C37	N41	C40	125.9°	120.1°
C36	C37	N41	H37	118.1°	119.9°
C36	C37	C40	H37	117.6°	119.9°
C36	C37	N41	C61	113.6°	60.1°
C36	C37	N41	H41	66.4°	120.0°
C36	C37	C40	O43	85.6°	90.0°
C36	C37	C40	N44	94.1°	89.9°
H361	C36	C37	N41	55.5°	60.1°
H361	C36	C37	C40	68.8°	60.0°
H361	C36	C37	H37	175.4°	180.0°
H362	C36	C37	N41	54.0°	180.0°
H362	C36	C37	C40	178.3°	59.9°
H362	C36	C37	H37	65.9°	60.1°
N41	C37	C40	H37	119.6°	120.0°
C37	N41	C61	H41	179.9°	179.9°
C37	N41	C61	O66	0.2°	0.1°
C37	N41	C61	C62	179.7°	180.0°
N41	C37	C40	O43	151.5°	30.0°
N41	C37	C40	N44	28.7°	150.1°
C40	C37	N41	C61	120.5°	60.0°
C40	C37	N41	H41	59.5°	119.9°
C37	C40	O43	N44	179.7°	179.9°
C37	C40	N44	C45	179.7°	180.0°
C37	C40	N44	H44	0.4°	0.1°
H37	C37	N41	C61	4.4°	180.0°
H37	C37	N41	H41	175.5°	0.1°
H37	C37	C40	O43	32.0°	150.0°
H37	C37	C40	N44	148.3°	30.0°
N41	C61	O66	C62	179.9°	179.9°
N41	C61	C62	H621	179.9°	180.0°
N41	C61	C62	H622	54.8°	59.9°
N41	C61	C62	H623	54.7°	60.1°
H41	N41	C61	O66	179.7°	180.0°
H41	N41	C61	C62	0.4°	0.1°
O66	C61	C62	H621	0.1°	0.0°
O66	C61	C62	H622	125.3°	120.0°
O66	C61	C62	H623	125.2°	120.0°
C61	C62	H621	H622	125.2°	120.0°
C61	C62	H621	H623	125.3°	120.0°
C61	C62	H622	H623	116.6°	120.0°
H621	C62	H622	H623	116.5°	120.0°
O43	C40	N44	C45	0.0°	0.0°
O43	C40	N44	H44	179.9°	180.0°
C40	N44	C45	H44	179.9°	179.9°
C40	N44	C45	C46	150.1°	179.9°
C40	N44	C45	H451	84.6°	60.0°
C40	N44	C45	H452	24.8°	60.1°
N44	C45	C46	H451	125.3°	120.0°
N44	C45	C46	H452	125.3°	120.0°
N44	C45	H451	H452	117.0°	120.0°
N44	C45	C46	C49	76.6°	180.0°
N44	C45	C46	H461	48.7°	60.0°
N44	C45	C46	H462	158.1°	60.0°
H44	N44	C45	C46	29.9°	0.0°
H44	N44	C45	H451	95.3°	119.9°
H44	N44	C45	H452	155.3°	120.0°
C46	C45	H451	H452	117.0°	120.0°
C45	C46	C49	H461	125.3°	119.9°
C45	C46	C49	H462	125.3°	120.0°
C45	C46	H461	H462	116.9°	120.0°
C45	C46	C49	C52	179.6°	NaN°
C45	C46	C49	H491	54.4°	60.0°
C45	C46	C49	H492	55.1°	60.0°
H451	C45	C46	C49	158.1°	60.0°
H451	C45	C46	H461	76.6°	180.0°
H451	C45	C46	H462	32.8°	60.0°
H452	C45	C46	C49	48.7°	60.0°
H452	C45	C46	H461	174.0°	60.0°
H452	C45	C46	H462	76.6°	180.0°
C49	C46	H461	H462	117.0°	120.1°
C46	C49	C52	H491	125.2°	120.0°
C46	C49	C52	H492	125.3°	120.0°
C46	C49	H491	H492	117.1°	120.0°
C46	C49	C52	C55	155.5°	NaN°
C46	C49	C52	H521	30.2°	60.0°
C46	C49	C52	H522	79.2°	60.0°
H461	C46	C49	C52	55.1°	60.1°
H461	C46	C49	H491	179.7°	180.0°
H461	C46	C49	H492	70.2°	60.0°
H462	C46	C49	C52	54.4°	60.0°
H462	C46	C49	H491	70.9°	60.0°
H462	C46	C49	H492	179.7°	180.0°
C52	C49	H491	H492	117.1°	120.0°
C49	C52	C55	H521	125.3°	119.9°
C49	C52	C55	H522	125.3°	120.0°
C49	C52	H521	H522	116.8°	120.0°
C49	C52	C55	H551	180.0°	179.9°
C49	C52	C55	H552	54.7°	60.0°
C49	C52	C55	H553	54.8°	60.0°
H491	C49	C52	C55	79.2°	60.0°
H491	C49	C52	H521	155.4°	180.0°
H491	C49	C52	H522	46.1°	60.0°
H492	C49	C52	C55	30.3°	60.0°
H492	C49	C52	H521	95.1°	60.0°
H492	C49	C52	H522	155.6°	180.0°
C55	C52	H521	H522	116.8°	120.0°
C52	C55	H551	H552	125.2°	120.0°
C52	C55	H551	H553	125.2°	120.1°
C52	C55	H552	H553	116.8°	120.1°
H521	C52	C55	H551	54.7°	60.0°
H521	C52	C55	H552	180.0°	59.9°
H521	C52	C55	H553	70.5°	180.0°
H522	C52	C55	H551	54.7°	60.0°
H522	C52	C55	H552	70.5°	180.0°
H522	C52	C55	H553	180.0°	60.0°
H551	C55	H552	H553	116.9°	120.0°

Definition date:	2003-01-30
Last modified:	2020-05-26
Release status:	REL
Processing site:	RCSB
Derived from:	1NL9