EF9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C6	doub	1.21Å	1.18Å
S1	C8	sing	1.81Å	1.83Å
C8	C7	sing	1.53Å	1.53Å
O3	C10	doub	1.21Å	1.26Å
C6	C7	sing	1.51Å	1.51Å
C6	N1	sing	1.35Å	1.45Å
C9	C7	sing	1.53Å	1.53Å
C3	N1	sing	1.47Å	1.51Å
C3	C4	sing	1.53Å	1.54Å
C10	O2	sing	1.34Å	1.26Å
C10	C4	sing	1.51Å	1.57Å
N1	C2	sing	1.47Å	1.51Å
C4	C5	sing	1.53Å	1.47Å
C2	C1	sing	1.53Å	1.53Å
C5	C1	sing	1.53Å	1.47Å
C4	H1	sing	1.09Å	1.10Å
C5	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	118.9°	120.0°
O1	C6	N1	121.4°	120.0°
S1	C8	C7	112.0°	109.4°
S1	C8	H5	108.9°	109.5°
S1	C8	H6	108.8°	109.5°
C8	S1	H17	102.0°	103.0°
C8	C7	C6	111.2°	109.4°
C8	C7	C9	108.4°	109.5°
C8	C7	H4	110.0°	109.5°
C7	C8	H5	108.8°	109.5°
C7	C8	H6	108.9°	109.5°
O3	C10	O2	120.4°	120.0°
O3	C10	C4	119.1°	120.0°
C7	C6	N1	119.7°	120.0°
C6	C7	C9	107.1°	109.5°
C6	C7	H4	110.2°	109.5°
C6	N1	C3	123.0°	120.7°
C6	N1	C2	123.8°	120.6°
C9	C7	H4	109.9°	109.5°
C7	C9	H13	109.5°	109.5°
C7	C9	H14	109.5°	109.5°
C7	C9	H15	109.5°	109.5°
N1	C3	C4	118.1°	108.8°
C3	N1	C2	113.1°	118.7°
N1	C3	H11	107.3°	109.6°
N1	C3	H12	107.3°	109.6°
C3	C4	C10	107.2°	109.6°
C3	C4	C5	114.7°	109.3°
C3	C4	H1	108.6°	109.4°
C4	C3	H11	107.3°	109.6°
C4	C3	H12	107.3°	109.6°
O2	C10	C4	120.5°	120.0°
C10	O2	H16	109.5°	117.0°
C10	C4	C5	108.3°	109.5°
C10	C4	H1	108.2°	109.5°
N1	C2	C1	114.7°	108.8°
N1	C2	H9	108.2°	109.6°
N1	C2	H10	108.2°	109.6°
C4	C5	C1	111.0°	109.7°
C5	C4	H1	109.6°	109.5°
C4	C5	H2	109.1°	109.4°
C4	C5	H3	109.1°	109.4°
C2	C1	C5	110.5°	109.6°
C2	C1	H7	109.2°	109.2°
C2	C1	H8	109.2°	109.6°
C1	C2	H9	108.2°	109.6°
C1	C2	H10	108.2°	109.6°
C1	C5	H2	109.1°	109.4°
C1	C5	H3	109.1°	109.4°
C5	C1	H7	109.2°	109.5°
C5	C1	H8	109.2°	109.5°
H2	C5	H3	109.5°	109.5°
H5	C8	H6	109.4°	109.5°
H7	C1	H8	109.5°	109.5°
H9	C2	H10	109.4°	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°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C6	C7	C8	49.3°	19.9°
O1	C6	C7	N1	179.7°	179.9°
O1	C6	C7	C9	68.9°	100.1°
O1	C6	N1	C3	1.8°	174.4°
O1	C6	N1	C2	179.2°	5.2°
O1	C6	C7	H4	171.5°	139.9°
S1	C8	C7	H5	120.4°	120.0°
S1	C8	C7	H6	120.4°	120.0°
S1	C8	C7	C6	63.8°	175.0°
S1	C8	C7	C9	178.8°	65.0°
S1	C8	C7	H4	58.6°	55.0°
S1	C8	H5	H6	118.8°	120.0°
C8	C7	C6	C9	118.2°	120.0°
C8	C7	C6	H4	122.2°	120.0°
C8	C7	C6	N1	131.0°	160.2°
C8	C7	C9	H4	120.2°	120.0°
C7	C8	H5	H6	118.8°	120.0°
C8	C7	C9	H13	180.0°	173.7°
C8	C7	C9	H14	60.0°	66.3°
C8	C7	C9	H15	60.0°	53.7°
C7	C8	S1	H17	180.0°	180.0°
O3	C10	C4	C3	16.4°	0.0°
O3	C10	O2	C4	179.8°	179.9°
O3	C10	C4	C5	140.7°	120.0°
O3	C10	C4	H1	100.6°	120.0°
O3	C10	O2	H16	0.0°	0.1°
C6	C7	C9	H4	119.7°	120.0°
C7	C6	N1	C3	178.0°	5.6°
C7	C6	N1	C2	0.5°	174.7°
C6	C7	C8	H5	175.8°	55.0°
C6	C7	C8	H6	56.6°	65.0°
C6	C7	C9	H13	60.0°	53.8°
C6	C7	C9	H14	180.0°	173.7°
C6	C7	C9	H15	60.0°	66.3°
N1	C6	C7	C9	110.8°	79.8°
C6	N1	C3	C2	177.7°	179.7°
C6	N1	C3	C4	153.7°	126.1°
C6	N1	C2	C1	143.1°	126.3°
N1	C6	C7	H4	8.7°	40.2°
C6	N1	C2	H9	22.3°	113.8°
C6	N1	C2	H10	96.1°	6.6°
C6	N1	C3	H11	85.0°	6.3°
C6	N1	C3	H12	32.5°	114.1°
C9	C7	C8	H5	58.4°	175.0°
C9	C7	C8	H6	60.8°	55.0°
C7	C9	H13	H14	120.0°	120.0°
C7	C9	H13	H15	120.0°	120.1°
C7	C9	H14	H15	120.0°	120.0°
N1	C3	C4	H11	121.2°	119.8°
N1	C3	C4	H12	121.2°	119.8°
N1	C3	C4	C10	85.3°	174.7°
N1	C3	C4	C5	35.0°	54.6°
C3	N1	C2	C1	39.2°	53.4°
N1	C3	C4	H1	158.0°	65.2°
C3	N1	C2	H9	160.0°	66.5°
C3	N1	C2	H10	81.6°	173.1°
N1	C3	H11	H12	116.1°	120.3°
C3	C4	C10	O2	163.4°	179.9°
C3	C4	C10	C5	124.3°	119.9°
C3	C4	C10	H1	117.0°	120.0°
C4	C3	N1	C2	28.6°	53.6°
C3	C4	C5	H1	122.4°	119.8°
C3	C4	C5	C1	50.8°	61.2°
C3	C4	C5	H2	69.4°	178.7°
C3	C4	C5	H3	171.1°	58.8°
C4	C3	H11	H12	116.1°	120.3°
O2	C10	C4	C5	39.1°	60.0°
O2	C10	C4	H1	79.6°	60.1°
C10	C4	C5	H1	117.9°	120.1°
C10	C4	C5	C1	68.9°	178.6°
C10	C4	C5	H2	170.9°	58.6°
C10	C4	C5	H3	51.4°	61.3°
C10	C4	C3	H11	153.4°	65.5°
C10	C4	C3	H12	35.9°	54.9°
C4	C10	O2	H16	179.8°	180.0°
N1	C2	C1	H9	120.8°	119.8°
N1	C2	C1	H10	120.8°	119.8°
N1	C2	C1	C5	56.6°	54.4°
N1	C2	C1	H7	63.5°	65.5°
N1	C2	C1	H8	176.8°	174.6°
N1	C2	H9	H10	117.6°	120.3°
C2	N1	C3	H11	92.6°	173.4°
C2	N1	C3	H12	149.8°	66.2°
C4	C5	C1	C2	61.3°	61.1°
C4	C5	C1	H2	120.2°	120.0°
C4	C5	C1	H3	120.2°	120.0°
C4	C5	H2	H3	119.3°	119.9°
C4	C5	C1	H7	58.9°	58.5°
C4	C5	C1	H8	178.5°	178.7°
C5	C4	C3	H11	86.2°	174.4°
C5	C4	C3	H12	156.2°	65.2°
C2	C1	C5	H7	120.2°	119.7°
C2	C1	C5	H8	120.2°	120.2°
C2	C1	C5	H2	58.9°	178.8°
C2	C1	C5	H3	178.5°	58.9°
C2	C1	H7	H8	119.6°	120.0°
C1	C2	H9	H10	117.6°	120.4°
C1	C5	C4	H1	173.3°	58.6°
C1	C5	H2	H3	119.3°	119.9°
C5	C1	H7	H8	119.5°	120.1°
C5	C1	C2	H9	177.4°	65.4°
C5	C1	C2	H10	64.2°	174.1°
H1	C4	C5	H2	53.0°	61.5°
H1	C4	C5	H3	66.5°	178.6°
H1	C4	C3	H11	36.7°	54.6°
H1	C4	C3	H12	80.8°	175.0°
H2	C5	C1	H7	179.1°	61.5°
H2	C5	C1	H8	61.2°	58.6°
H3	C5	C1	H7	61.4°	178.6°
H3	C5	C1	H8	58.3°	61.3°
H4	C7	C8	H5	61.8°	65.0°
H4	C7	C8	H6	179.0°	175.0°
H4	C7	C9	H13	59.8°	66.2°
H4	C7	C9	H14	60.2°	53.8°
H4	C7	C9	H15	179.7°	173.7°
H5	C8	S1	H17	59.6°	60.0°
H6	C8	S1	H17	59.6°	60.0°
H7	C1	C2	H9	57.3°	174.7°
H7	C1	C2	H10	175.7°	54.2°
H8	C1	C2	H9	62.4°	54.8°
H8	C1	C2	H10	56.0°	65.7°
H13	C9	H14	H15	120.0°	119.9°

Release date:	2020-12-16
Definition date:	2019-12-17
Last modified:	2020-12-11
Release status:	REL
Processing site:	PDBJ
Derived from:	6LJ4