A1CSV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N02	C01	sing	1.47Å	1.45Å
C04	C03	sing	1.53Å	1.53Å
C05	C04	sing	1.51Å	1.54Å
C06	C05	doub	1.38Å	1.35Å	Aromatic
C08	C07	doub	1.38Å	1.39Å	Aromatic
C09	C08	sing	1.38Å	1.39Å	Aromatic
C10	C09	doub	1.38Å	1.45Å	Aromatic
C07	C06	sing	1.39Å	1.42Å	Aromatic
C11	C06	sing	1.51Å	1.55Å
C12	C11	sing	1.53Å	1.46Å
C03	N02	sing	1.47Å	1.46Å
C13	N02	sing	1.47Å	1.46Å
C03	C12	sing	1.53Å	1.53Å
C05	C10	sing	1.39Å	1.42Å	Aromatic
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C03	H5	sing	1.09Å	1.10Å
C04	H6	sing	1.09Å	1.10Å
C04	H7	sing	1.09Å	1.10Å
C07	H8	sing	1.08Å	1.08Å
C08	H9	sing	1.08Å	1.08Å
C09	H10	sing	1.08Å	1.08Å
C10	H11	sing	1.08Å	1.08Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C13	H16	sing	1.09Å	1.10Å
C13	H17	sing	1.09Å	1.10Å
C13	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	N02	C03	112.5°	111.0°
C01	N02	C13	112.0°	111.0°
N02	C01	H1	109.5°	109.4°
N02	C01	H2	109.5°	109.5°
N02	C01	H3	109.5°	109.5°
C03	C04	C05	107.3°	110.6°
C04	C03	N02	110.5°	109.7°
C04	C03	C12	108.6°	108.4°
C04	C03	H5	107.1°	109.7°
C03	C04	H6	110.0°	109.2°
C03	C04	H7	110.0°	109.3°
C04	C05	C06	120.4°	122.6°
C04	C05	C10	116.9°	117.7°
C05	C04	H6	110.0°	109.3°
C05	C04	H7	110.0°	109.2°
C05	C06	C07	120.6°	119.7°
C05	C06	C11	126.0°	122.5°
C06	C05	C10	122.6°	119.7°
C07	C08	C09	120.8°	119.8°
C08	C07	C06	119.1°	120.6°
C08	C07	H8	120.4°	119.8°
C07	C08	H9	119.6°	120.2°
C08	C09	C10	120.8°	119.8°
C09	C08	H9	119.6°	120.1°
C08	C09	H10	119.6°	120.1°
C09	C10	C05	116.0°	120.6°
C10	C09	H10	119.6°	120.1°
C09	C10	H11	122.0°	119.7°
C07	C06	C11	113.4°	117.8°
C06	C07	H8	120.5°	119.7°
C06	C11	C12	109.6°	110.6°
C06	C11	H12	109.4°	109.2°
C06	C11	H13	109.4°	109.2°
C11	C12	C03	117.0°	108.4°
C12	C11	H12	109.5°	109.3°
C12	C11	H13	109.4°	109.2°
C11	C12	H14	107.6°	109.6°
C11	C12	H15	107.6°	109.7°
C03	N02	C13	114.3°	111.0°
N02	C03	C12	115.3°	109.7°
N02	C03	H5	108.0°	109.7°
N02	C13	H16	109.5°	109.5°
N02	C13	H17	109.5°	109.5°
N02	C13	H18	109.5°	109.5°
C12	C03	H5	107.1°	109.7°
C03	C12	H14	107.5°	109.7°
C03	C12	H15	107.5°	109.7°
C05	C10	H11	122.0°	119.7°
H1	C01	H2	109.4°	109.5°
H1	C01	H3	109.5°	109.5°
H2	C01	H3	109.4°	109.5°
H6	C04	H7	109.5°	109.3°
H12	C11	H13	109.5°	109.3°
H14	C12	H15	109.5°	109.7°
H16	C13	H17	109.5°	109.5°
H16	C13	H18	109.5°	109.5°
H17	C13	H18	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	N02	C03	C04	173.3°	57.9°
C01	N02	C03	C13	129.2°	124.0°
C01	N02	C03	C12	63.1°	61.1°
N02	C01	H1	H2	120.0°	120.0°
N02	C01	H1	H3	120.0°	120.0°
N02	C01	H2	H3	120.0°	120.0°
C01	N02	C03	H5	56.5°	178.4°
C01	N02	C13	H16	180.0°	64.0°
C01	N02	C13	H17	60.0°	56.0°
C01	N02	C13	H18	60.0°	176.0°
C03	C04	C05	H6	119.7°	120.2°
C03	C04	C05	H7	119.7°	120.3°
C03	C04	C05	C06	29.6°	17.9°
C04	C03	C12	C11	62.4°	69.9°
C04	C03	N02	C12	123.6°	118.9°
C04	C03	N02	H5	116.8°	120.5°
C04	C03	N02	C13	57.4°	66.1°
C04	C03	C12	H5	115.3°	119.8°
C03	C04	C05	C10	149.9°	162.2°
C03	C04	H6	H7	121.0°	119.5°
C04	C03	C12	H14	58.7°	170.4°
C04	C03	C12	H15	176.5°	49.8°
C04	C05	C06	C10	179.5°	179.9°
C04	C05	C10	C09	179.8°	179.8°
C04	C05	C06	C07	179.7°	179.6°
C04	C05	C06	C11	1.0°	0.8°
C05	C04	C03	N02	175.2°	170.9°
C05	C04	C03	C12	57.5°	51.2°
C05	C04	C03	H5	57.8°	68.6°
C05	C04	H6	H7	121.0°	119.5°
C04	C05	C10	H11	0.2°	0.3°
C05	C06	C07	C08	0.0°	0.3°
C06	C05	C10	C09	0.3°	0.1°
C05	C06	C07	C11	179.4°	179.6°
C05	C06	C11	C12	1.9°	17.8°
C06	C05	C04	H6	90.0°	102.4°
C06	C05	C04	H7	149.3°	138.1°
C05	C06	C07	H8	180.0°	179.8°
C06	C05	C10	H11	179.6°	179.8°
C05	C06	C11	H12	118.1°	138.1°
C05	C06	C11	H13	121.9°	102.5°
C07	C08	C09	H9	180.0°	180.0°
C07	C08	C09	C10	0.0°	0.2°
C08	C07	C06	H8	180.0°	180.0°
C08	C07	C06	C11	179.4°	179.3°
C07	C08	C09	H10	180.0°	179.9°
C08	C09	C10	H10	180.0°	180.0°
C09	C08	C07	C06	0.1°	0.0°
C08	C09	C10	C05	0.2°	0.1°
C09	C08	C07	H8	179.9°	180.0°
C08	C09	C10	H11	179.8°	179.9°
C09	C10	C05	H11	180.0°	179.9°
C10	C09	C08	H9	180.0°	179.9°
C07	C06	C11	C12	178.8°	162.6°
C07	C06	C05	C10	0.3°	0.3°
C06	C07	C08	H9	179.9°	179.9°
C07	C06	C11	H12	61.2°	42.3°
C07	C06	C11	H13	58.8°	77.1°
C06	C11	C12	H12	120.0°	120.3°
C06	C11	C12	H13	120.0°	120.2°
C06	C11	C12	C03	30.0°	51.1°
C11	C06	C05	C10	179.6°	179.3°
C11	C06	C07	H8	0.6°	0.6°
C06	C11	H12	H13	119.9°	119.4°
C06	C11	C12	H14	91.0°	170.8°
C06	C11	C12	H15	151.1°	68.6°
C11	C12	C03	N02	173.0°	170.4°
C11	C12	C03	H14	121.1°	119.7°
C11	C12	C03	H15	121.1°	119.7°
C11	C12	C03	H5	52.9°	49.9°
C12	C11	H12	H13	120.0°	119.5°
C11	C12	H14	H15	116.6°	120.5°
N02	C03	C12	H5	120.1°	120.5°
C03	N02	C01	H1	180.0°	60.0°
C03	N02	C01	H2	60.0°	180.0°
C03	N02	C01	H3	60.0°	60.0°
N02	C03	C04	H6	65.2°	50.6°
N02	C03	C04	H7	55.5°	68.9°
N02	C03	C12	H14	65.9°	50.7°
N02	C03	C12	H15	52.0°	69.9°
C03	N02	C13	H16	50.5°	60.0°
C03	N02	C13	H17	69.5°	180.0°
C03	N02	C13	H18	170.6°	60.0°
C13	N02	C03	C12	66.2°	175.0°
C13	N02	C01	H1	49.5°	176.1°
C13	N02	C01	H2	70.4°	56.1°
C13	N02	C01	H3	169.6°	64.0°
C13	N02	C03	H5	174.2°	54.4°
N02	C13	H16	H17	120.0°	120.0°
N02	C13	H16	H18	120.0°	120.0°
N02	C13	H17	H18	120.0°	120.0°
C12	C03	C04	H6	62.2°	69.1°
C12	C03	C04	H7	177.1°	171.4°
C03	C12	C11	H12	150.0°	171.4°
C03	C12	C11	H13	90.0°	69.2°
C03	C12	H14	H15	116.6°	120.6°
C10	C05	C04	H6	90.5°	77.5°
C10	C05	C04	H7	30.2°	42.0°
C05	C10	C09	H10	179.8°	179.9°
H1	C01	H2	H3	120.0°	120.1°
H5	C03	C04	H6	177.5°	171.1°
H5	C03	C04	H7	61.8°	51.7°
H5	C03	C12	H14	174.0°	69.8°
H5	C03	C12	H15	68.2°	169.6°
H8	C07	C08	H9	0.1°	0.0°
H9	C08	C09	H10	0.0°	0.1°
H10	C09	C10	H11	0.2°	0.0°
H12	C11	C12	H14	29.0°	68.9°
H12	C11	C12	H15	88.9°	51.6°
H13	C11	C12	H14	149.0°	50.6°
H13	C11	C12	H15	31.1°	171.1°
H16	C13	H17	H18	120.0°	120.0°

Release date:	2025-12-17
Definition date:	2025-09-09
Last modified:	2025-12-12
Release status:	REL
Processing site:	RCSB
Derived from:	9Y6J