8YM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.51Å	1.51Å
C1	O	doub	1.21Å	1.23Å
C1	C2	sing	1.47Å	1.48Å
C2	C3	doub	1.40Å	1.39Å	Aromatic
C2	C7	sing	1.41Å	1.41Å	Aromatic
C3	C4	sing	1.38Å	1.38Å	Aromatic
S	C7	sing	1.76Å	1.78Å
S	C8	sing	1.76Å	1.78Å
C7	C6	doub	1.39Å	1.39Å	Aromatic
C4	C5	doub	1.39Å	1.38Å	Aromatic
C6	C5	sing	1.38Å	1.38Å	Aromatic
C9	C8	doub	1.39Å	1.39Å	Aromatic
C9	C10	sing	1.38Å	1.39Å	Aromatic
C8	C13	sing	1.41Å	1.41Å	Aromatic
O2	C14	doub	1.22Å	1.26Å
C10	C11	doub	1.39Å	1.39Å	Aromatic
C13	C14	sing	1.47Å	1.49Å
C13	C12	doub	1.40Å	1.39Å	Aromatic
C14	O1	sing	1.35Å	1.26Å
C11	C12	sing	1.38Å	1.38Å	Aromatic
C5	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C	H4	sing	1.09Å	1.10Å
C	H5	sing	1.09Å	1.10Å
C	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C3	H10	sing	1.08Å	1.08Å
C9	H11	sing	1.08Å	1.08Å
O1	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	O	120.4°	120.0°
C	C1	C2	119.7°	120.0°
C1	C	H4	109.5°	109.4°
C1	C	H5	109.5°	109.5°
C1	C	H6	109.4°	109.5°
O	C1	C2	119.3°	120.0°
C1	C2	C3	118.0°	120.3°
C1	C2	C7	123.4°	120.3°
C3	C2	C7	118.4°	119.5°
C2	C3	C4	120.5°	119.9°
C2	C3	H10	119.7°	120.0°
C2	C7	S	121.4°	120.2°
C2	C7	C6	119.9°	119.6°
C3	C4	C5	121.0°	120.4°
C3	C4	H2	119.5°	119.8°
C4	C3	H10	119.7°	120.1°
C7	S	C8	100.4°	103.0°
S	C7	C6	118.4°	120.2°
S	C8	C9	117.5°	120.2°
S	C8	C13	122.9°	120.2°
C7	C6	C5	120.8°	120.1°
C7	C6	H3	119.6°	119.9°
C4	C5	C6	119.3°	120.5°
C4	C5	H1	120.3°	119.8°
C5	C4	H2	119.5°	119.8°
C6	C5	H1	120.4°	119.7°
C5	C6	H3	119.6°	120.0°
C8	C9	C10	120.3°	120.1°
C9	C8	C13	119.3°	119.6°
C8	C9	H11	119.9°	120.0°
C9	C10	C11	120.1°	120.4°
C9	C10	H7	119.9°	119.8°
C10	C9	H11	119.9°	120.0°
C8	C13	C14	122.7°	120.2°
C8	C13	C12	119.7°	119.6°
O2	C14	C13	117.5°	120.0°
O2	C14	O1	122.9°	120.0°
C10	C11	C12	120.2°	120.4°
C11	C10	H7	120.0°	119.8°
C10	C11	H8	119.9°	119.8°
C14	C13	C12	117.4°	120.2°
C13	C14	O1	119.4°	120.0°
C13	C12	C11	120.3°	119.9°
C13	C12	H9	119.8°	120.0°
C14	O1	H12	109.5°	117.0°
C12	C11	H8	119.9°	119.8°
C11	C12	H9	119.8°	120.0°
H4	C	H5	109.5°	109.5°
H4	C	H6	109.5°	109.5°
H5	C	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	O	C2	171.2°	180.0°
C	C1	C2	C3	121.2°	0.0°
C	C1	C2	C7	53.7°	179.8°
C1	C	H4	H5	120.0°	120.0°
C1	C	H4	H6	120.0°	120.0°
C1	C	H5	H6	120.0°	120.0°
O	C1	C2	C3	50.0°	180.0°
O	C1	C2	C7	135.1°	0.3°
O	C1	C	H4	0.0°	90.0°
O	C1	C	H5	120.0°	150.0°
O	C1	C	H6	120.0°	30.0°
C1	C2	C3	C7	175.2°	179.7°
C1	C2	C3	C4	178.8°	180.0°
C1	C2	C7	S	6.5°	0.2°
C1	C2	C7	C6	179.4°	180.0°
C2	C1	C	H4	171.2°	90.0°
C2	C1	C	H5	51.2°	30.0°
C2	C1	C	H6	68.8°	150.0°
C1	C2	C3	H10	1.2°	0.3°
C2	C3	C4	H10	180.0°	179.6°
C3	C2	C7	S	178.6°	180.0°
C3	C2	C7	C6	5.7°	0.3°
C2	C3	C4	C5	0.4°	0.0°
C2	C3	C4	H2	179.6°	180.0°
C7	C2	C3	C4	3.6°	0.3°
C2	C7	S	C6	173.0°	179.7°
C2	C7	S	C8	87.5°	174.6°
C2	C7	C6	C5	4.6°	0.0°
C2	C7	C6	H3	175.3°	180.0°
C7	C2	C3	H10	176.4°	179.9°
C3	C4	C5	H2	180.0°	180.0°
C3	C4	C5	C6	0.8°	0.2°
C3	C4	C5	H1	179.2°	180.0°
S	C7	C6	C5	177.8°	179.8°
C7	S	C8	C9	68.1°	102.7°
C7	S	C8	C13	105.8°	77.5°
S	C7	C6	H3	2.2°	0.3°
C8	S	C7	C6	85.5°	5.7°
S	C8	C9	C13	174.1°	179.8°
S	C8	C9	C10	178.6°	179.7°
S	C8	C13	C14	6.6°	0.1°
S	C8	C13	C12	178.7°	180.0°
S	C8	C9	H11	1.4°	0.3°
C7	C6	C5	C4	1.4°	0.2°
C7	C6	C5	H3	180.0°	179.9°
C7	C6	C5	H1	178.6°	180.0°
C4	C5	C6	H1	180.0°	179.7°
C4	C5	C6	H3	178.6°	179.7°
C5	C4	C3	H10	179.6°	179.7°
C6	C5	C4	H2	179.2°	179.7°
C8	C9	C10	H11	180.0°	179.5°
C8	C9	C10	C11	2.0°	0.5°
C9	C8	C13	C14	179.6°	179.7°
C9	C8	C13	C12	5.0°	0.2°
C8	C9	C10	H7	178.0°	179.7°
C10	C9	C8	C13	4.5°	0.5°
C9	C10	C11	H7	180.0°	179.8°
C9	C10	C11	C12	0.0°	0.2°
C9	C10	C11	H8	180.0°	179.7°
C8	C13	C14	O2	81.8°	0.1°
C8	C13	C14	C12	174.8°	180.0°
C8	C13	C14	O1	101.6°	180.0°
C8	C13	C12	C11	3.0°	0.0°
C8	C13	C12	H9	177.0°	180.0°
C13	C8	C9	H11	175.5°	180.0°
O2	C14	C13	O1	176.6°	180.0°
O2	C14	C13	C12	93.0°	180.0°
O2	C14	O1	H12	0.0°	0.1°
C10	C11	C12	C13	0.5°	0.1°
C10	C11	C12	H8	180.0°	179.9°
C10	C11	C12	H9	179.6°	180.0°
C11	C10	C9	H11	178.0°	179.9°
C14	C13	C12	C11	177.9°	180.0°
C14	C13	C12	H9	2.1°	0.0°
C13	C14	O1	H12	176.5°	180.0°
C12	C13	C14	O1	83.7°	0.0°
C13	C12	C11	H9	180.0°	180.0°
C13	C12	C11	H8	179.5°	180.0°
C12	C11	C10	H7	180.0°	180.0°
H1	C5	C4	H2	0.8°	0.0°
H1	C5	C6	H3	1.4°	0.0°
H2	C4	C3	H10	0.4°	0.4°
H4	C	H5	H6	120.0°	120.0°
H7	C10	C11	H8	0.0°	0.1°
H7	C10	C9	H11	2.0°	0.3°
H8	C11	C12	H9	0.5°	0.1°

Release date:	2017-10-18
Definition date:	2017-03-20
Last modified:	2017-10-13
Release status:	REL
Processing site:	RCSB
Derived from:	5V6U