YX6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	S13	sing	1.71Å	1.72Å	Aromatic
C12	C11	doub	1.35Å	1.39Å	Aromatic
S13	C14	sing	1.71Å	1.73Å	Aromatic
O01	C02	doub	1.22Å	1.20Å
C11	C02	sing	1.47Å	1.52Å
C11	N15	sing	1.34Å	1.32Å	Aromatic
C02	N03	sing	1.35Å	1.45Å
C14	N15	doub	1.29Å	1.33Å	Aromatic
C10	N09	sing	1.46Å	1.54Å
C10	C04	sing	1.53Å	1.49Å
N09	C07	sing	1.33Å	1.54Å
N03	C04	sing	1.47Å	1.45Å
C04	C05	sing	1.53Å	1.46Å
C07	O08	doub	1.21Å	1.19Å
C07	C06	sing	1.50Å	1.58Å
C05	C06	sing	1.53Å	1.46Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
N03	H3	sing	0.97Å	1.00Å
C04	H4	sing	1.09Å	1.10Å
C05	H5	sing	1.09Å	1.10Å
C05	H6	sing	1.09Å	1.10Å
C06	H7	sing	1.09Å	1.10Å
C06	H8	sing	1.09Å	1.10Å
N09	H9	sing	0.97Å	1.00Å
C12	H10	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S13	C12	C11	104.1°	108.9°
C12	S13	C14	95.0°	91.2°
S13	C12	H10	128.0°	125.6°
C12	C11	C02	120.1°	123.2°
C12	C11	N15	117.8°	113.7°
C11	C12	H10	128.0°	125.5°
S13	C14	N15	107.2°	110.5°
S13	C14	H11	126.4°	124.7°
O01	C02	C11	118.4°	120.0°
O01	C02	N03	123.6°	120.0°
C02	C11	N15	122.1°	123.1°
C11	C02	N03	117.9°	120.0°
C11	N15	C14	115.9°	115.8°
C02	N03	C04	125.3°	120.0°
C02	N03	H3	117.4°	120.0°
N15	C14	H11	126.4°	124.7°
N09	C10	C04	114.8°	110.5°
C10	N09	C07	115.8°	124.1°
N09	C10	H1	108.1°	109.2°
N09	C10	H2	108.1°	109.3°
C10	N09	H9	122.1°	118.0°
C10	C04	N03	112.3°	109.6°
C10	C04	C05	115.5°	108.7°
C04	C10	H1	108.1°	109.3°
C04	C10	H2	108.1°	109.4°
C10	C04	H4	106.5°	109.6°
N09	C07	O08	122.6°	118.2°
N09	C07	C06	114.0°	123.5°
C07	N09	H9	122.1°	118.0°
N03	C04	C05	108.3°	109.6°
C04	N03	H3	117.4°	119.9°
N03	C04	H4	106.9°	109.6°
C04	C05	C06	119.8°	108.4°
C05	C04	H4	106.9°	109.8°
C04	C05	H5	106.9°	109.7°
C04	C05	H6	106.8°	109.7°
O08	C07	C06	123.4°	118.3°
C07	C06	C05	117.3°	109.9°
C07	C06	H7	107.5°	109.4°
C07	C06	H8	107.5°	109.3°
C06	C05	H5	106.8°	109.7°
C06	C05	H6	106.8°	109.6°
C05	C06	H7	107.5°	109.4°
C05	C06	H8	107.5°	109.4°
H1	C10	H2	109.5°	109.2°
H5	C05	H6	109.5°	109.7°
H7	C06	H8	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S13	C12	C11	H10	180.0°	179.9°
S13	C12	C11	C02	179.2°	180.0°
S13	C12	C11	N15	0.5°	0.3°
C12	S13	C14	N15	0.2°	0.3°
C12	S13	C14	H11	179.9°	180.0°
C11	C12	S13	C14	0.3°	0.0°
C12	C11	C02	O01	1.4°	0.3°
C12	C11	C02	N15	178.7°	179.7°
C12	C11	C02	N03	178.8°	179.7°
C12	C11	N15	C14	0.4°	0.5°
S13	C14	N15	C11	0.1°	0.5°
S13	C14	N15	H11	180.0°	179.7°
C14	S13	C12	H10	179.7°	179.9°
O01	C02	C11	N03	179.7°	180.0°
O01	C02	C11	N15	179.9°	180.0°
O01	C02	N03	C04	1.7°	0.0°
O01	C02	N03	H3	178.3°	180.0°
C02	C11	N15	C14	179.1°	179.8°
C11	C02	N03	C04	178.6°	180.0°
C11	C02	N03	H3	1.4°	0.0°
C02	C11	C12	H10	0.8°	0.1°
N15	C11	C02	N03	0.2°	0.0°
N15	C11	C12	H10	179.5°	179.8°
C11	N15	C14	H11	179.9°	179.8°
C02	N03	C04	C10	74.1°	85.0°
C02	N03	C04	H3	180.0°	180.0°
C02	N03	C04	C05	157.2°	155.8°
C02	N03	C04	H4	42.4°	35.3°
N09	C10	C04	H1	120.8°	120.2°
N09	C10	C04	H2	120.8°	120.3°
C10	N09	C07	H9	180.0°	180.0°
N09	C10	C04	N03	172.7°	170.6°
N09	C10	C04	C05	48.0°	50.8°
C10	N09	C07	O08	179.8°	177.8°
C10	N09	C07	C06	1.4°	2.2°
N09	C10	H1	H2	117.6°	119.4°
N09	C10	C04	H4	70.5°	69.2°
C04	C10	N09	C07	38.3°	19.1°
C10	C04	N03	C05	128.7°	119.2°
C10	C04	N03	H4	116.5°	120.3°
C10	C04	C05	H4	118.3°	119.9°
C10	C04	C05	C06	15.3°	67.6°
C04	C10	H1	H2	117.6°	119.6°
C10	C04	N03	H3	105.9°	95.0°
C10	C04	C05	H5	106.1°	52.2°
C10	C04	C05	H6	136.7°	172.8°
C04	C10	N09	H9	141.8°	160.9°
N09	C07	O08	C06	178.3°	180.0°
N09	C07	C06	C05	33.3°	17.6°
C07	N09	C10	H1	82.5°	139.3°
C07	N09	C10	H2	159.0°	101.3°
N09	C07	C06	H7	154.4°	137.7°
N09	C07	C06	H8	87.8°	102.5°
N03	C04	C05	H4	114.8°	120.4°
N03	C04	C05	C06	142.2°	172.7°
N03	C04	C10	H1	52.0°	69.2°
N03	C04	C10	H2	66.5°	50.3°
N03	C04	C05	H5	20.7°	67.6°
N03	C04	C05	H6	96.4°	53.0°
C04	C05	C06	C07	25.6°	48.9°
C04	C05	C06	H5	121.5°	119.8°
C04	C05	C06	H6	121.4°	119.7°
C05	C04	C10	H1	72.8°	171.0°
C05	C04	C10	H2	168.7°	69.5°
C05	C04	N03	H3	22.8°	24.2°
C04	C05	H5	H6	115.3°	120.6°
C04	C05	C06	H7	146.8°	169.0°
C04	C05	C06	H8	95.5°	71.1°
O08	C07	C06	C05	148.3°	162.4°
O08	C07	C06	H7	27.2°	42.3°
O08	C07	C06	H8	90.6°	77.5°
O08	C07	N09	H9	0.2°	2.2°
C07	C06	C05	H7	121.1°	120.1°
C07	C06	C05	H8	121.1°	120.0°
C07	C06	C05	H5	147.1°	70.9°
C07	C06	C05	H6	95.8°	168.6°
C07	C06	H7	H8	116.4°	119.7°
C06	C07	N09	H9	178.6°	177.8°
C06	C05	C04	H4	103.0°	52.3°
C06	C05	H5	H6	115.3°	120.4°
C05	C06	H7	H8	116.5°	119.9°
H1	C10	C04	H4	168.7°	51.1°
H1	C10	N09	H9	97.5°	40.7°
H2	C10	C04	H4	50.2°	170.5°
H2	C10	N09	H9	21.0°	78.7°
H3	N03	C04	H4	137.6°	144.7°
H4	C04	C05	H5	135.5°	172.0°
H4	C04	C05	H6	18.4°	67.4°
H5	C05	C06	H7	91.7°	49.2°
H5	C05	C06	H8	26.0°	169.1°
H6	C05	C06	H7	25.4°	71.3°
H6	C05	C06	H8	143.1°	48.6°

Release date:	2023-07-12
Definition date:	2023-06-22
Last modified:	2023-07-07
Release status:	REL
Processing site:	RCSB
Derived from:	7G84