EF0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C6	doub	1.21Å	1.23Å
S1	C8	sing	1.81Å	1.82Å
C8	C7	sing	1.53Å	1.55Å
C6	C7	sing	1.51Å	1.52Å
C6	N1	sing	1.35Å	1.35Å
C9	C7	sing	1.53Å	1.55Å
C3	C4	sing	1.53Å	1.52Å
C3	N1	sing	1.47Å	1.50Å
C4	C5	sing	1.53Å	1.53Å
N1	C2	sing	1.47Å	1.47Å
O3	C10	doub	1.21Å	1.25Å
C2	C1	sing	1.53Å	1.53Å
C5	C1	sing	1.54Å	1.52Å
C5	C10	sing	1.51Å	1.54Å
C10	O2	sing	1.34Å	1.25Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C2	H9	sing	1.09Å	1.10Å
C2	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.09Å	1.10Å
C3	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.09Å	1.10Å
O2	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)
O1	C6	C7	118.3°	120.0°
O1	C6	N1	123.3°	120.0°
S1	C8	C7	114.3°	109.5°
S1	C8	H5	108.3°	109.5°
S1	C8	H6	108.3°	109.5°
C8	S1	H17	102.0°	103.0°
C8	C7	C6	112.5°	109.5°
C8	C7	C9	107.1°	109.5°
C8	C7	H4	109.5°	109.5°
C7	C8	H5	108.3°	109.5°
C7	C8	H6	108.2°	109.4°
C7	C6	N1	118.3°	120.0°
C6	C7	C9	108.3°	109.5°
C6	C7	H4	109.9°	109.5°
C6	N1	C3	122.8°	120.6°
C6	N1	C2	124.6°	120.6°
C9	C7	H4	109.4°	109.5°
C7	C9	H13	109.5°	109.5°
C7	C9	H14	109.5°	109.5°
C7	C9	H15	109.5°	109.5°
C4	C3	N1	108.4°	108.8°
C3	C4	C5	110.0°	109.3°
C3	C4	H1	109.3°	109.6°
C3	C4	H2	109.4°	109.4°
C4	C3	H11	109.7°	109.6°
C4	C3	H12	109.7°	109.6°
C3	N1	C2	112.6°	118.7°
N1	C3	H11	109.7°	109.6°
N1	C3	H12	109.7°	109.6°
C4	C5	C1	107.1°	109.4°
C4	C5	C10	110.1°	109.5°
C5	C4	H1	109.3°	109.5°
C5	C4	H2	109.3°	109.5°
C4	C5	H3	110.1°	109.4°
N1	C2	C1	107.7°	108.8°
N1	C2	H9	109.9°	109.6°
N1	C2	H10	109.9°	109.6°
O3	C10	C5	117.5°	120.0°
O3	C10	O2	125.6°	120.0°
C2	C1	C5	111.0°	109.1°
C2	C1	H7	109.1°	109.5°
C2	C1	H8	109.1°	109.9°
C1	C2	H9	109.9°	109.6°
C1	C2	H10	109.9°	109.6°
C1	C5	C10	109.2°	109.5°
C1	C5	H3	110.3°	109.5°
C5	C1	H7	109.1°	109.5°
C5	C1	H8	109.1°	109.5°
C5	C10	O2	116.9°	120.0°
C10	C5	H3	110.0°	109.5°
C10	O2	H16	109.5°	117.0°
H1	C4	H2	109.5°	109.5°
H5	C8	H6	109.5°	109.5°
H7	C1	H8	109.5°	109.5°
H9	C2	H10	109.5°	109.7°
H11	C3	H12	109.5°	109.7°
H13	C9	H14	109.5°	109.4°
H13	C9	H15	109.5°	109.5°
H14	C9	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C6	C7	C8	52.9°	19.8°
O1	C6	C7	N1	177.1°	180.0°
O1	C6	C7	C9	65.3°	100.2°
O1	C6	N1	C3	0.1°	5.6°
O1	C6	N1	C2	176.9°	174.7°
O1	C6	C7	H4	175.2°	139.8°
S1	C8	C7	H5	120.7°	120.0°
S1	C8	C7	H6	120.7°	120.0°
S1	C8	C7	C6	62.2°	175.0°
S1	C8	C7	C9	178.8°	65.0°
S1	C8	C7	H4	60.2°	55.0°
S1	C8	H5	H6	117.8°	120.0°
C8	C7	C6	C9	118.2°	120.0°
C8	C7	C6	H4	122.3°	120.0°
C8	C7	C6	N1	130.0°	160.2°
C8	C7	C9	H4	118.6°	120.0°
C7	C8	H5	H6	117.8°	120.0°
C8	C7	C9	H13	180.0°	173.8°
C8	C7	C9	H14	60.0°	66.3°
C8	C7	C9	H15	60.0°	53.8°
C7	C8	S1	H17	180.0°	180.0°
C6	C7	C9	H4	119.8°	120.0°
C7	C6	N1	C3	177.0°	174.4°
C7	C6	N1	C2	0.0°	5.3°
C6	C7	C8	H5	177.1°	55.0°
C6	C7	C8	H6	58.5°	65.1°
C6	C7	C9	H13	58.4°	53.8°
C6	C7	C9	H14	178.4°	173.7°
C6	C7	C9	H15	61.6°	66.2°
N1	C6	C7	C9	111.8°	79.7°
C6	N1	C3	C4	122.0°	126.7°
C6	N1	C3	C2	177.3°	179.7°
C6	N1	C2	C1	123.0°	126.4°
N1	C6	C7	H4	7.7°	40.3°
C6	N1	C2	H9	3.2°	6.6°
C6	N1	C2	H10	117.3°	113.8°
C6	N1	C3	H11	2.1°	113.5°
C6	N1	C3	H12	118.2°	6.9°
C9	C7	C8	H5	58.1°	175.0°
C9	C7	C8	H6	60.5°	55.0°
C7	C9	H13	H14	120.0°	120.0°
C7	C9	H13	H15	120.0°	120.0°
C7	C9	H14	H15	120.0°	120.1°
C4	C3	N1	H11	119.8°	119.8°
C4	C3	N1	H12	119.9°	119.8°
C3	C4	C5	H1	120.1°	120.1°
C3	C4	C5	H2	120.1°	119.9°
C4	C3	N1	C2	60.8°	53.6°
C3	C4	C5	C1	60.0°	61.5°
C3	C4	C5	C10	178.6°	178.5°
C3	C4	H1	H2	119.8°	120.0°
C3	C4	C5	H3	59.9°	58.5°
C4	C3	H11	H12	120.5°	120.4°
N1	C3	C4	C5	59.8°	54.6°
C3	N1	C2	C1	59.8°	53.9°
N1	C3	C4	H1	179.9°	65.4°
N1	C3	C4	H2	60.2°	174.6°
C3	N1	C2	H9	179.5°	173.7°
C3	N1	C2	H10	59.9°	65.9°
N1	C3	H11	H12	120.5°	120.3°
C4	C5	C10	O3	24.4°	0.0°
C4	C5	C1	C2	60.2°	61.6°
C4	C5	C1	C10	119.2°	120.0°
C4	C5	C1	H3	119.8°	119.9°
C4	C5	C10	H3	121.5°	120.0°
C4	C5	C10	O2	156.1°	180.0°
C5	C4	H1	H2	119.8°	120.0°
C4	C5	C1	H7	60.1°	178.7°
C4	C5	C1	H8	179.6°	58.7°
C5	C4	C3	H11	179.6°	65.2°
C5	C4	C3	H12	60.0°	174.4°
N1	C2	C1	H9	119.7°	119.8°
N1	C2	C1	H10	119.7°	119.8°
N1	C2	C1	C5	59.8°	54.9°
N1	C2	C1	H7	60.4°	174.7°
N1	C2	C1	H8	180.0°	65.1°
N1	C2	H9	H10	120.8°	120.3°
C2	N1	C3	H11	179.4°	66.2°
C2	N1	C3	H12	59.1°	173.4°
O3	C10	C5	C1	93.0°	120.0°
O3	C10	C5	O2	179.5°	180.0°
O3	C10	C5	H3	145.9°	120.0°
O3	C10	O2	H16	0.0°	0.0°
C2	C1	C5	H7	120.2°	119.8°
C2	C1	C5	H8	120.2°	120.2°
C2	C1	C5	C10	179.3°	178.4°
C2	C1	C5	H3	59.7°	58.4°
C2	C1	H7	H8	119.3°	120.5°
C1	C2	H9	H10	120.9°	120.3°
C1	C5	C10	H3	121.1°	120.0°
C1	C5	C10	O2	86.6°	60.0°
C1	C5	C4	H1	179.9°	58.6°
C1	C5	C4	H2	60.1°	178.7°
C5	C1	H7	H8	119.3°	120.0°
C5	C1	C2	H9	179.5°	174.7°
C5	C1	C2	H10	59.9°	64.9°
C10	C5	C4	H1	61.3°	61.4°
C10	C5	C4	H2	58.6°	58.6°
C10	C5	C1	H7	59.1°	58.7°
C10	C5	C1	H8	60.5°	61.3°
C5	C10	O2	H16	179.5°	180.0°
O2	C10	C5	H3	34.6°	60.0°
H1	C4	C5	H3	60.2°	178.6°
H1	C4	C3	H11	60.3°	174.8°
H1	C4	C3	H12	60.0°	54.4°
H2	C4	C5	H3	180.0°	61.4°
H2	C4	C3	H11	59.6°	54.8°
H2	C4	C3	H12	179.9°	65.6°
H3	C5	C1	H7	179.9°	61.4°
H3	C5	C1	H8	60.5°	178.6°
H4	C7	C8	H5	60.5°	65.0°
H4	C7	C8	H6	179.1°	175.0°
H4	C7	C9	H13	61.4°	66.2°
H4	C7	C9	H14	58.6°	53.7°
H4	C7	C9	H15	178.6°	173.8°
H5	C8	S1	H17	59.3°	60.0°
H6	C8	S1	H17	59.3°	60.0°
H7	C1	C2	H9	59.3°	65.5°
H7	C1	C2	H10	179.9°	54.9°
H8	C1	C2	H9	60.3°	54.7°
H8	C1	C2	H10	60.3°	175.1°
H13	C9	H14	H15	120.0°	120.0°

Release date:	2020-12-16
Definition date:	2019-12-17
Last modified:	2020-12-11
Release status:	REL
Processing site:	PDBJ
Derived from:	6LJ5