EEX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C11	doub	1.21Å	1.20Å
O2	C10	doub	1.21Å	1.27Å
C13	S1	sing	1.81Å	1.83Å
C13	C12	sing	1.53Å	1.52Å
C11	C12	sing	1.51Å	1.52Å
C11	N1	sing	1.35Å	1.43Å
C10	O1	sing	1.34Å	1.27Å
C10	C7	sing	1.51Å	1.51Å
C14	C12	sing	1.53Å	1.53Å
C7	N1	sing	1.47Å	1.44Å
C7	C5	sing	1.51Å	1.57Å
N1	C8	sing	1.47Å	1.40Å
C4	C5	doub	1.39Å	1.50Å	Aromatic
C4	C3	sing	1.38Å	1.33Å	Aromatic
C5	C6	sing	1.38Å	1.35Å	Aromatic
C8	C9	sing	1.53Å	1.46Å
C3	C2	doub	1.38Å	1.54Å	Aromatic
C6	C9	sing	1.51Å	1.52Å
C6	C1	doub	1.39Å	1.51Å	Aromatic
C2	C1	sing	1.38Å	1.33Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.09Å	1.10Å
C8	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.08Å	1.08Å
C12	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.09Å	1.10Å
C2	H12	sing	1.08Å	1.08Å
C3	H13	sing	1.08Å	1.08Å
C9	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.09Å	1.10Å
O1	H16	sing	0.97Å	0.95Å
S1	H17	sing	1.35Å	1.30Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C11	C12	123.8°	120.0°
O3	C11	N1	118.0°	119.9°
O2	C10	O1	119.8°	120.0°
O2	C10	C7	117.8°	120.0°
S1	C13	C12	113.1°	109.4°
S1	C13	H5	108.5°	109.5°
S1	C13	H6	108.5°	109.5°
C13	S1	H17	102.0°	103.0°
C13	C12	C11	110.6°	109.5°
C13	C12	C14	109.0°	109.5°
C12	C13	H5	108.5°	109.4°
C12	C13	H6	108.6°	109.4°
C13	C12	H8	110.3°	109.5°
C12	C11	N1	118.1°	120.0°
C11	C12	C14	106.5°	109.5°
C11	C12	H8	110.2°	109.5°
C11	N1	C7	115.8°	121.3°
C11	N1	C8	124.6°	121.4°
O1	C10	C7	122.4°	120.0°
C10	O1	H16	109.5°	117.0°
C10	C7	N1	117.0°	109.4°
C10	C7	C5	106.4°	109.5°
C10	C7	H2	108.6°	109.4°
C14	C12	H8	110.1°	109.5°
C12	C14	H9	109.5°	109.5°
C12	C14	H10	109.5°	109.5°
C12	C14	H11	109.5°	109.5°
N1	C7	C5	107.2°	109.7°
C7	N1	C8	119.6°	117.3°
N1	C7	H2	109.5°	109.4°
C7	C5	C4	118.1°	117.8°
C7	C5	C6	120.0°	122.3°
C5	C7	H2	107.8°	109.4°
N1	C8	C9	120.4°	107.9°
N1	C8	H3	106.7°	109.8°
N1	C8	H4	106.7°	109.7°
C5	C4	C3	117.9°	120.5°
C4	C5	C6	121.9°	119.9°
C5	C4	H1	121.1°	119.7°
C4	C3	C2	121.3°	119.7°
C3	C4	H1	121.1°	119.8°
C4	C3	H13	119.3°	120.2°
C5	C6	C9	118.7°	122.9°
C5	C6	C1	120.1°	119.5°
C8	C9	C6	104.9°	110.9°
C9	C8	H3	106.6°	109.8°
C9	C8	H4	106.7°	109.8°
C8	C9	H14	110.6°	109.2°
C8	C9	H15	110.6°	109.2°
C3	C2	C1	120.3°	119.8°
C3	C2	H12	119.9°	120.1°
C2	C3	H13	119.4°	120.1°
C9	C6	C1	121.1°	117.7°
C6	C9	H14	110.6°	109.2°
C6	C9	H15	110.6°	109.2°
C6	C1	C2	118.5°	120.6°
C6	C1	H7	120.7°	119.7°
C2	C1	H7	120.8°	119.7°
C1	C2	H12	119.9°	120.1°
H3	C8	H4	109.5°	109.8°
H5	C13	H6	109.5°	109.5°
H9	C14	H10	109.5°	109.5°
H9	C14	H11	109.5°	109.5°
H10	C14	H11	109.5°	109.4°
H14	C9	H15	109.5°	109.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C11	C12	C13	52.7°	24.6°
O3	C11	C12	N1	179.1°	180.0°
O3	C11	C12	C14	65.6°	95.4°
O3	C11	N1	C7	3.5°	175.3°
O3	C11	N1	C8	177.7°	5.0°
O3	C11	C12	H8	175.0°	144.5°
O2	C10	O1	C7	178.7°	179.9°
O2	C10	C7	N1	169.8°	0.1°
O2	C10	C7	C5	70.5°	120.1°
O2	C10	C7	H2	45.3°	119.9°
O2	C10	O1	H16	0.0°	0.0°
S1	C13	C12	H5	120.5°	120.0°
S1	C13	C12	H6	120.5°	120.0°
S1	C13	C12	C11	63.4°	175.0°
S1	C13	C12	C14	179.8°	65.0°
S1	C13	H5	H6	118.3°	120.1°
S1	C13	C12	H8	58.8°	55.0°
C13	C12	C11	C14	118.4°	120.0°
C13	C12	C11	H8	122.3°	120.0°
C13	C12	C11	N1	126.4°	155.5°
C13	C12	C14	H8	121.2°	120.0°
C12	C13	H5	H6	118.4°	119.9°
C13	C12	C14	H9	180.0°	64.2°
C13	C12	C14	H10	60.0°	55.8°
C13	C12	C14	H11	60.0°	175.8°
C12	C13	S1	H17	180.0°	180.0°
C11	C12	C14	H8	119.4°	120.0°
C12	C11	N1	C7	177.3°	4.8°
C12	C11	N1	C8	1.5°	175.0°
C11	C12	C13	H5	176.1°	55.0°
C11	C12	C13	H6	57.1°	65.0°
C11	C12	C14	H9	60.6°	175.8°
C11	C12	C14	H10	179.4°	64.2°
C11	C12	C14	H11	59.4°	55.8°
C11	N1	C7	C10	92.1°	104.1°
N1	C11	C12	C14	115.3°	84.5°
C11	N1	C7	C8	178.8°	179.7°
C11	N1	C7	C5	148.7°	135.8°
C11	N1	C8	C9	167.0°	116.0°
C11	N1	C7	H2	32.0°	15.8°
C11	N1	C8	H3	45.5°	124.3°
C11	N1	C8	H4	71.4°	3.6°
N1	C11	C12	H8	4.1°	35.5°
O1	C10	C7	N1	11.5°	180.0°
O1	C10	C7	C5	108.2°	59.8°
O1	C10	C7	H2	136.0°	60.1°
C10	C7	N1	C5	119.3°	120.1°
C10	C7	N1	H2	124.0°	119.8°
C10	C7	C5	H2	116.3°	119.9°
C10	C7	N1	C8	89.1°	75.7°
C10	C7	C5	C4	91.2°	70.9°
C10	C7	C5	C6	87.1°	108.4°
C7	C10	O1	H16	178.7°	179.9°
C14	C12	C13	H5	59.3°	175.0°
C14	C12	C13	H6	59.7°	55.0°
C12	C14	H9	H10	120.0°	120.0°
C12	C14	H9	H11	120.0°	120.0°
C12	C14	H10	H11	120.0°	120.0°
N1	C7	C5	H2	117.8°	120.0°
N1	C7	C5	C4	143.0°	169.0°
N1	C7	C5	C6	38.8°	11.7°
C7	N1	C8	C9	14.2°	64.2°
C7	N1	C8	H3	135.8°	55.4°
C7	N1	C8	H4	107.3°	176.2°
C5	C7	N1	C8	30.2°	44.4°
C7	C5	C4	C6	178.2°	179.3°
C7	C5	C4	C3	179.3°	178.9°
C7	C5	C6	C9	2.1°	1.6°
C7	C5	C6	C1	178.6°	178.6°
C7	C5	C4	H1	0.7°	1.1°
N1	C8	C9	H3	121.5°	119.7°
N1	C8	C9	H4	121.6°	119.6°
N1	C8	C9	C6	50.2°	47.5°
C8	N1	C7	H2	146.9°	164.5°
N1	C8	H3	H4	115.1°	120.7°
N1	C8	C9	H14	69.1°	72.9°
N1	C8	C9	H15	169.4°	167.9°
C5	C4	C3	H1	180.0°	180.0°
C5	C4	C3	C2	1.0°	0.0°
C4	C5	C6	C9	179.7°	179.1°
C4	C5	C6	C1	0.4°	0.7°
C4	C5	C7	H2	25.1°	49.0°
C5	C4	C3	H13	179.0°	180.0°
C3	C4	C5	C6	1.1°	0.4°
C4	C3	C2	H13	180.0°	180.0°
C4	C3	C2	C1	0.3°	0.1°
C4	C3	C2	H12	179.7°	179.8°
C5	C6	C9	C8	40.2°	20.2°
C5	C6	C9	C1	179.3°	179.8°
C5	C6	C1	C2	0.4°	0.5°
C6	C5	C4	H1	178.9°	179.6°
C6	C5	C7	H2	156.6°	131.7°
C5	C6	C1	H7	179.6°	179.6°
C5	C6	C9	H14	79.0°	100.2°
C5	C6	C9	H15	159.5°	140.6°
C8	C9	C6	H14	119.2°	120.4°
C8	C9	C6	H15	119.3°	120.4°
C8	C9	C6	C1	139.1°	160.0°
C9	C8	H3	H4	115.0°	120.8°
C8	C9	H14	H15	122.1°	119.3°
C3	C2	C1	C6	0.5°	0.1°
C3	C2	C1	H12	180.0°	180.0°
C2	C3	C4	H1	179.0°	180.0°
C3	C2	C1	H7	179.5°	180.0°
C9	C6	C1	C2	178.9°	179.3°
C6	C9	C8	H3	171.7°	72.1°
C6	C9	C8	H4	71.4°	167.1°
C9	C6	C1	H7	1.1°	0.6°
C6	C9	H14	H15	122.1°	119.3°
C6	C1	C2	H7	180.0°	179.9°
C6	C1	C2	H12	179.5°	180.0°
C1	C6	C9	H14	101.7°	79.6°
C1	C6	C9	H15	19.8°	39.6°
C1	C2	C3	H13	179.7°	179.8°
H1	C4	C3	H13	1.0°	0.0°
H3	C8	C9	H14	52.4°	167.5°
H3	C8	C9	H15	69.0°	48.3°
H4	C8	C9	H14	169.3°	46.7°
H4	C8	C9	H15	47.9°	72.5°
H5	C13	C12	H8	61.7°	65.0°
H5	C13	S1	H17	59.5°	60.1°
H6	C13	C12	H8	179.3°	175.0°
H6	C13	S1	H17	59.5°	60.0°
H7	C1	C2	H12	0.5°	0.0°
H8	C12	C14	H9	58.9°	55.8°
H8	C12	C14	H10	61.2°	175.8°
H8	C12	C14	H11	178.8°	64.2°
H9	C14	H10	H11	120.0°	120.0°
H12	C2	C3	H13	0.3°	0.2°

Release date:	2020-12-16
Definition date:	2019-12-17
Last modified:	2020-12-11
Release status:	REL
Processing site:	PDBJ
Derived from:	6LJ1