A1BCB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C18	doub	1.38Å	1.41Å	Aromatic
C17	C16	sing	1.38Å	1.40Å	Aromatic
C18	C01	sing	1.38Å	1.40Å	Aromatic
C16	C15	doub	1.38Å	1.42Å	Aromatic
C01	C02	doub	1.38Å	1.42Å	Aromatic
C15	C02	sing	1.39Å	1.39Å	Aromatic
C15	N07	sing	1.40Å	1.45Å
C02	O03	sing	1.36Å	1.46Å
C09	C08	sing	1.53Å	1.53Å
C08	N07	sing	1.46Å	1.46Å
C08	C10	sing	1.51Å	1.53Å
N07	C05	sing	1.35Å	1.42Å
O03	C04	sing	1.43Å	1.42Å
C04	C05	sing	1.51Å	1.52Å
C05	O06	doub	1.21Å	1.19Å
C10	O11	doub	1.21Å	1.19Å
C10	O12	sing	1.34Å	1.40Å
O12	C13	sing	1.45Å	1.40Å
C13	C14	sing	1.53Å	1.53Å
C13	H1	sing	1.09Å	1.10Å
C13	H2	sing	1.09Å	1.10Å
C17	H3	sing	1.08Å	1.08Å
C01	H4	sing	1.08Å	1.08Å
C04	H5	sing	1.09Å	1.10Å
C04	H6	sing	1.09Å	1.10Å
C08	H7	sing	1.09Å	1.10Å
C09	H8	sing	1.09Å	1.10Å
C09	H9	sing	1.09Å	1.10Å
C09	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.09Å	1.10Å
C14	H12	sing	1.09Å	1.10Å
C14	H13	sing	1.09Å	1.10Å
C16	H14	sing	1.08Å	1.08Å
C18	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C18	C17	C16	120.4°	120.2°
C17	C18	C01	119.8°	120.2°
C18	C17	H3	119.8°	119.9°
C17	C18	H15	120.1°	119.9°
C17	C16	C15	120.0°	119.8°
C16	C17	H3	119.8°	119.9°
C17	C16	H14	120.0°	120.1°
C18	C01	C02	119.7°	119.9°
C18	C01	H4	120.2°	120.1°
C01	C18	H15	120.1°	119.9°
C16	C15	C02	119.5°	120.0°
C16	C15	N07	120.4°	120.7°
C15	C16	H14	120.0°	120.1°
C01	C02	C15	120.6°	119.9°
C01	C02	O03	119.9°	120.7°
C02	C01	H4	120.2°	120.0°
C02	C15	N07	120.1°	119.3°
C15	C02	O03	119.4°	119.5°
C15	N07	C08	119.2°	120.5°
C15	N07	C05	119.9°	119.0°
C02	O03	C04	113.2°	116.7°
C09	C08	N07	111.7°	109.4°
C09	C08	C10	113.7°	109.5°
C09	C08	H7	106.9°	109.5°
C08	C09	H8	109.5°	109.5°
C08	C09	H9	109.5°	109.5°
C08	C09	H10	109.4°	109.5°
N07	C08	C10	109.4°	109.5°
C08	N07	C05	120.8°	120.5°
N07	C08	H7	107.9°	109.5°
C08	C10	O11	119.4°	120.0°
C08	C10	O12	121.1°	120.0°
C10	C08	H7	107.0°	109.5°
N07	C05	C04	114.8°	119.8°
N07	C05	O06	123.9°	120.1°
O03	C04	C05	115.8°	109.7°
O03	C04	H5	107.9°	109.4°
O03	C04	H6	107.9°	109.4°
C04	C05	O06	121.3°	120.1°
C05	C04	H5	107.8°	109.4°
C05	C04	H6	107.9°	109.5°
O11	C10	O12	119.5°	120.0°
C10	O12	C13	113.8°	117.0°
O12	C13	C14	108.8°	109.4°
O12	C13	H1	109.6°	109.4°
O12	C13	H2	109.7°	109.5°
C14	C13	H1	109.6°	109.5°
C14	C13	H2	109.6°	109.5°
C13	C14	H11	109.5°	109.5°
C13	C14	H12	109.5°	109.5°
C13	C14	H13	109.5°	109.4°
H1	C13	H2	109.5°	109.5°
H5	C04	H6	109.5°	109.4°
H8	C09	H9	109.4°	109.5°
H8	C09	H10	109.5°	109.5°
H9	C09	H10	109.5°	109.5°
H11	C14	H12	109.5°	109.5°
H11	C14	H13	109.5°	109.4°
H12	C14	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C18	C17	C16	H3	180.0°	179.8°
C17	C18	C01	H15	180.0°	179.8°
C18	C17	C16	C15	0.2°	0.1°
C17	C18	C01	C02	0.1°	0.5°
C17	C18	C01	H4	179.9°	180.0°
C18	C17	C16	H14	179.8°	180.0°
C16	C17	C18	C01	0.0°	0.2°
C17	C16	C15	H14	180.0°	179.9°
C17	C16	C15	C02	0.5°	0.1°
C17	C16	C15	N07	179.8°	179.7°
C16	C17	C18	H15	180.0°	180.0°
C18	C01	C02	H4	180.0°	179.4°
C18	C01	C02	C15	0.4°	0.5°
C18	C01	C02	O03	179.6°	179.6°
C01	C18	C17	H3	180.0°	180.0°
C16	C15	C02	C01	0.6°	0.2°
C16	C15	C02	N07	179.3°	179.7°
C16	C15	C02	O03	179.8°	179.9°
C16	C15	N07	C08	16.7°	15.2°
C16	C15	N07	C05	164.3°	164.8°
C15	C16	C17	H3	179.8°	179.7°
C01	C02	C15	O03	179.2°	179.9°
C01	C02	C15	N07	179.9°	180.0°
C01	C02	O03	C04	148.0°	147.2°
C02	C01	C18	H15	179.9°	179.7°
C02	C15	N07	C08	162.6°	164.5°
C02	C15	N07	C05	16.4°	15.5°
C15	C02	O03	C04	31.2°	32.7°
C15	C02	C01	H4	179.6°	180.0°
C02	C15	C16	H14	179.5°	180.0°
N07	C15	C02	O03	0.9°	0.1°
C15	N07	C08	C09	120.8°	120.0°
C15	N07	C08	C05	179.0°	180.0°
C15	N07	C08	C10	112.5°	120.0°
C15	N07	C05	C04	0.5°	1.7°
C15	N07	C05	O06	179.5°	178.3°
C15	N07	C08	H7	3.5°	0.0°
N07	C15	C16	H14	0.2°	0.2°
C02	O03	C04	C05	47.8°	46.4°
O03	C02	C01	H4	0.4°	0.1°
C02	O03	C04	H5	168.7°	73.7°
C02	O03	C04	H6	73.1°	166.4°
C09	C08	N07	C10	126.7°	120.0°
C09	C08	N07	H7	117.2°	120.0°
C09	C08	C10	H7	117.8°	120.0°
C09	C08	N07	C05	60.2°	60.0°
C09	C08	C10	O11	151.4°	120.0°
C09	C08	C10	O12	29.2°	59.7°
C08	C09	H8	H9	120.0°	120.0°
C08	C09	H8	H10	120.0°	120.0°
C08	C09	H9	H10	120.0°	120.0°
N07	C08	C10	H7	116.6°	120.0°
C08	N07	C05	C04	179.5°	178.3°
C08	N07	C05	O06	0.5°	1.7°
N07	C08	C10	O11	83.0°	0.0°
N07	C08	C10	O12	96.3°	179.7°
N07	C08	C09	H8	180.0°	60.0°
N07	C08	C09	H9	60.0°	60.0°
N07	C08	C09	H10	60.0°	180.0°
C10	C08	N07	C05	66.5°	60.0°
C08	C10	O11	O12	179.4°	179.7°
C08	C10	O12	C13	153.0°	179.7°
C10	C08	C09	H8	55.6°	60.0°
C10	C08	C09	H9	64.4°	180.0°
C10	C08	C09	H10	175.6°	60.0°
N07	C05	C04	O03	33.0°	31.4°
N07	C05	C04	O06	180.0°	180.0°
N07	C05	C04	H5	153.9°	88.7°
N07	C05	C04	H6	87.9°	151.4°
C05	N07	C08	H7	177.4°	180.0°
O03	C04	C05	H5	120.9°	120.1°
O03	C04	C05	H6	120.9°	120.0°
O03	C04	C05	O06	147.0°	148.6°
O03	C04	H5	H6	117.1°	119.9°
C05	C04	H5	H6	117.1°	120.0°
O06	C05	C04	H5	26.1°	91.3°
O06	C05	C04	H6	92.1°	28.6°
O11	C10	O12	C13	27.7°	0.0°
O11	C10	C08	H7	33.6°	120.0°
C10	O12	C13	C14	113.1°	180.0°
C10	O12	C13	H1	127.0°	60.0°
C10	O12	C13	H2	6.8°	60.0°
O12	C10	C08	H7	147.1°	60.3°
O12	C13	C14	H1	119.9°	119.9°
O12	C13	C14	H2	119.9°	120.0°
O12	C13	H1	H2	120.4°	120.0°
O12	C13	C14	H11	180.0°	60.0°
O12	C13	C14	H12	60.0°	60.0°
O12	C13	C14	H13	60.0°	180.0°
C14	C13	H1	H2	120.3°	120.1°
C13	C14	H11	H12	120.0°	120.0°
C13	C14	H11	H13	120.0°	120.0°
C13	C14	H12	H13	120.0°	120.0°
H1	C13	C14	H11	60.1°	59.9°
H1	C13	C14	H12	179.9°	179.9°
H1	C13	C14	H13	59.9°	60.0°
H2	C13	C14	H11	60.0°	180.0°
H2	C13	C14	H12	59.9°	60.0°
H2	C13	C14	H13	179.9°	60.0°
H3	C17	C16	H14	0.2°	0.2°
H3	C17	C18	H15	0.0°	0.2°
H4	C01	C18	H15	0.1°	0.2°
H7	C08	C09	H8	62.2°	NaN°
H7	C08	C09	H9	177.8°	60.0°
H7	C08	C09	H10	57.8°	60.0°
H8	C09	H9	H10	120.0°	120.0°
H11	C14	H12	H13	120.0°	120.0°

Release date:	2025-06-04
Definition date:	2024-10-03
Last modified:	2025-05-30
Release status:	REL
Processing site:	RCSB
Derived from:	9DSX