S9D

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	N13	sing	1.48Å	1.57Å
C12	C11	sing	1.54Å	1.50Å
N13	N14	sing	1.47Å	1.32Å
C11	C10	sing	1.55Å	1.34Å
N14	C10	sing	1.49Å	1.59Å
C10	C09	sing	1.51Å	1.54Å
C09	C08	doub	1.38Å	1.37Å	Aromatic
C09	C15	sing	1.38Å	1.43Å	Aromatic
C08	C07	sing	1.38Å	1.40Å	Aromatic
C15	C16	doub	1.38Å	1.42Å	Aromatic
C07	C06	doub	1.39Å	1.44Å	Aromatic
C16	C06	sing	1.39Å	1.35Å	Aromatic
C06	O05	sing	1.36Å	1.37Å
N03	C02	doub	1.32Å	1.34Å	Aromatic
N03	C04	sing	1.32Å	1.32Å	Aromatic
O05	C04	sing	1.36Å	1.42Å
C02	C01	sing	1.39Å	1.38Å	Aromatic
C04	N17	doub	1.32Å	1.32Å	Aromatic
C01	C18	doub	1.39Å	1.38Å	Aromatic
N17	C18	sing	1.32Å	1.33Å	Aromatic
C10	H1	sing	1.09Å	1.10Å
C15	H2	sing	1.08Å	1.08Å
C01	H3	sing	1.08Å	1.08Å
C02	H4	sing	1.08Å	1.08Å
C07	H5	sing	1.08Å	1.08Å
C08	H6	sing	1.08Å	1.08Å
C11	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.09Å	1.10Å
C12	H9	sing	1.09Å	1.10Å
C12	H10	sing	1.09Å	1.10Å
C16	H11	sing	1.08Å	1.08Å
C18	H12	sing	1.08Å	1.08Å
N13	H13	sing	1.01Å	1.00Å
N14	H14	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N13	C12	C11	107.0°	105.8°
C12	N13	N14	105.3°	105.8°
N13	C12	H9	110.1°	110.2°
N13	C12	H10	110.1°	110.2°
C12	N13	H13	110.5°	111.0°
C12	C11	C10	102.1°	104.5°
C12	C11	H7	111.3°	110.4°
C12	C11	H8	111.2°	110.5°
C11	C12	H9	110.1°	110.1°
C11	C12	H10	110.1°	110.3°
N13	N14	C10	104.8°	104.1°
N14	N13	H13	110.5°	111.0°
N13	N14	H14	110.6°	111.0°
C11	C10	N14	107.1°	103.6°
C11	C10	C09	121.6°	110.6°
C11	C10	H1	104.7°	110.6°
C10	C11	H7	111.3°	110.4°
C10	C11	H8	111.3°	110.4°
N14	C10	C09	115.8°	110.7°
N14	C10	H1	102.4°	110.6°
C10	N14	H14	110.6°	110.8°
C10	C09	C08	119.5°	120.0°
C10	C09	C15	122.1°	119.9°
C09	C10	H1	102.8°	110.5°
C08	C09	C15	118.3°	120.1°
C09	C08	C07	120.1°	120.1°
C09	C08	H6	119.9°	120.0°
C09	C15	C16	122.2°	120.0°
C09	C15	H2	118.9°	120.0°
C08	C07	C06	120.7°	120.0°
C08	C07	H5	119.7°	120.0°
C07	C08	H6	120.0°	120.0°
C15	C16	C06	118.4°	120.0°
C16	C15	H2	118.9°	120.0°
C15	C16	H11	120.8°	120.0°
C07	C06	C16	120.4°	119.9°
C07	C06	O05	120.5°	120.1°
C06	C07	H5	119.6°	120.0°
C16	C06	O05	119.1°	120.0°
C06	C16	H11	120.8°	120.1°
C06	O05	C04	113.3°	118.0°
C02	N03	C04	121.5°	120.8°
N03	C02	C01	119.6°	119.1°
N03	C02	H4	120.2°	120.4°
N03	C04	O05	122.2°	119.2°
N03	C04	N17	119.8°	121.6°
O05	C04	N17	118.0°	119.2°
C02	C01	C18	117.4°	118.6°
C02	C01	H3	121.3°	120.7°
C01	C02	H4	120.2°	120.5°
C04	N17	C18	121.7°	120.7°
C01	C18	N17	120.0°	119.2°
C18	C01	H3	121.3°	120.7°
C01	C18	H12	120.0°	120.4°
N17	C18	H12	120.0°	120.4°
H7	C11	H8	109.5°	110.4°
H9	C12	H10	109.4°	110.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N13	C12	C11	H9	119.6°	119.1°
N13	C12	C11	H10	119.6°	119.1°
C12	N13	N14	H13	119.3°	120.5°
N13	C12	C11	C10	20.8°	1.0°
C12	N13	N14	C10	22.2°	39.9°
N13	C12	C11	H7	139.7°	119.7°
N13	C12	C11	H8	98.0°	117.8°
N13	C12	H9	H10	121.1°	121.8°
C12	N13	N14	H14	97.1°	79.4°
C11	C12	N13	N14	3.2°	24.8°
C12	C11	C10	H7	118.8°	118.7°
C12	C11	C10	H8	118.8°	118.9°
C12	C11	C10	N14	34.0°	22.6°
C12	C11	C10	C09	170.3°	141.2°
C12	C11	C10	H1	74.2°	96.0°
C12	C11	H7	H8	123.4°	122.6°
C11	C12	H9	H10	121.1°	121.9°
C11	C12	N13	H13	122.5°	145.3°
N13	N14	C10	C11	38.6°	38.3°
N13	N14	C10	H14	119.3°	119.4°
N13	N14	C10	C09	177.8°	156.9°
N13	N14	C10	H1	71.2°	80.3°
N14	N13	C12	H9	122.8°	94.2°
N14	N13	C12	H10	116.4°	144.0°
C11	C10	N14	C09	139.2°	118.6°
C11	C10	N14	H1	109.8°	118.6°
C11	C10	C09	H1	116.5°	122.9°
C11	C10	C09	C08	42.0°	102.2°
C11	C10	C09	C15	143.0°	77.9°
C10	C11	H7	H8	123.4°	122.4°
C10	C11	C12	H9	98.8°	118.0°
C10	C11	C12	H10	140.5°	120.1°
C11	C10	N14	H14	80.7°	81.2°
N14	C10	C09	H1	110.7°	122.9°
N14	C10	C09	C08	174.8°	143.5°
N14	C10	C09	C15	10.2°	36.4°
N14	C10	C11	H7	152.8°	96.2°
N14	C10	C11	H8	84.8°	141.4°
C10	N14	N13	H13	141.5°	160.4°
C10	C09	C08	C15	175.2°	179.9°
C10	C09	C08	C07	176.9°	179.5°
C10	C09	C15	C16	177.0°	180.0°
C10	C09	C15	H2	3.0°	0.4°
C10	C09	C08	H6	3.1°	0.2°
C09	C10	C11	H7	70.9°	22.5°
C09	C10	C11	H8	51.5°	99.9°
C09	C10	N14	H14	58.5°	37.5°
C09	C08	C07	H6	180.0°	179.3°
C08	C09	C15	C16	1.9°	0.1°
C09	C08	C07	C06	1.0°	0.7°
C08	C09	C10	H1	74.5°	20.7°
C08	C09	C15	H2	178.0°	179.7°
C09	C08	C07	H5	179.0°	179.7°
C15	C09	C08	C07	1.8°	0.4°
C09	C15	C16	H2	180.0°	179.6°
C09	C15	C16	C06	1.3°	0.3°
C15	C09	C10	H1	100.5°	159.2°
C15	C09	C08	H6	178.2°	179.7°
C09	C15	C16	H11	178.7°	179.7°
C08	C07	C06	H5	180.0°	179.6°
C08	C07	C06	C16	0.3°	0.5°
C08	C07	C06	O05	179.1°	179.5°
C15	C16	C06	C07	0.4°	0.0°
C15	C16	C06	H11	180.0°	180.0°
C15	C16	C06	O05	179.0°	180.0°
C07	C06	C16	O05	179.4°	180.0°
C07	C06	O05	C04	63.1°	76.9°
C06	C07	C08	H6	179.0°	180.0°
C07	C06	C16	H11	179.6°	180.0°
C16	C06	O05	C04	116.3°	103.1°
C06	C16	C15	H2	178.7°	179.9°
C16	C06	C07	H5	179.7°	179.9°
C06	O05	C04	N03	7.9°	4.3°
C06	O05	C04	N17	173.7°	175.2°
O05	C06	C07	H5	0.9°	0.0°
O05	C06	C16	H11	1.1°	0.1°
C02	N03	C04	O05	179.6°	179.7°
N03	C02	C01	H4	180.0°	180.0°
C02	N03	C04	N17	1.2°	0.2°
N03	C02	C01	C18	0.5°	0.0°
N03	C02	C01	H3	179.5°	179.7°
N03	C04	O05	N17	178.4°	179.5°
C04	N03	C02	C01	1.0°	0.0°
N03	C04	N17	C18	1.0°	0.5°
C04	N03	C02	H4	179.0°	179.9°
O05	C04	N17	C18	179.4°	180.0°
C02	C01	C18	H3	180.0°	179.7°
C02	C01	C18	N17	0.3°	0.2°
C02	C01	C18	H12	179.7°	179.7°
C04	N17	C18	C01	0.5°	0.5°
C04	N17	C18	H12	179.4°	179.4°
C01	C18	N17	H12	180.0°	179.9°
C18	C01	C02	H4	179.5°	180.0°
N17	C18	C01	H3	179.7°	180.0°
H1	C10	C11	H7	44.6°	145.3°
H1	C10	C11	H8	167.0°	22.9°
H1	C10	N14	H14	169.5°	160.3°
H2	C15	C16	H11	1.3°	0.0°
H3	C01	C02	H4	0.6°	0.3°
H3	C01	C18	H12	0.3°	0.0°
H5	C07	C08	H6	1.0°	0.4°
H7	C11	C12	H9	20.0°	0.7°
H7	C11	C12	H10	100.7°	121.2°
H8	C11	C12	H9	142.4°	123.2°
H8	C11	C12	H10	21.7°	1.3°
H9	C12	N13	H13	117.8°	26.3°
H10	C12	N13	H13	2.9°	95.5°
H13	N13	N14	H14	22.2°	41.1°

Release date:	2020-04-22
Definition date:	2020-03-06
Last modified:	2020-04-17
Release status:	REL
Processing site:	RCSB
Derived from:	5RAR