OOH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C7	sing	1.35Å	1.35Å
O1	C6	doub	1.21Å	1.26Å
C11	C12	sing	1.53Å	1.54Å
C11	C10	sing	1.51Å	1.52Å
C13	C12	sing	1.53Å	1.53Å
C13	C14	sing	1.53Å	1.52Å
C7	C6	sing	1.49Å	1.48Å
C7	C8	doub	1.38Å	1.49Å
C6	C4	sing	1.47Å	1.50Å
O	C5	sing	1.36Å	1.36Å
C10	C8	sing	1.46Å	1.49Å
C10	O3	doub	1.21Å	1.22Å
C8	C9	sing	1.48Å	1.47Å
C4	C5	doub	1.39Å	1.38Å	Aromatic
C4	C3	sing	1.41Å	1.41Å	Aromatic
C5	C	sing	1.40Å	1.39Å	Aromatic
C9	C3	sing	1.47Å	1.49Å
C9	O2	doub	1.22Å	1.25Å
C3	C2	doub	1.40Å	1.40Å	Aromatic
C	O6	sing	1.36Å	1.36Å
C	C1	doub	1.38Å	1.38Å	Aromatic
C2	C1	sing	1.40Å	1.38Å	Aromatic
C2	O5	sing	1.36Å	1.37Å
O6	H1	sing	0.97Å	0.95Å
O	H2	sing	0.97Å	0.95Å
C1	H3	sing	1.08Å	1.08Å
O5	H4	sing	0.97Å	0.95Å
C14	H5	sing	1.09Å	1.10Å
C14	H6	sing	1.09Å	1.10Å
C14	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.09Å	1.10Å
C13	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
O4	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C7	C6	119.9°	120.1°
O4	C7	C8	120.3°	120.1°
C7	O4	H14	109.5°	117.0°
O1	C6	C7	119.0°	120.4°
O1	C6	C4	123.1°	120.4°
C12	C11	C10	112.8°	109.5°
C11	C12	C13	113.6°	109.5°
C12	C11	H10	108.6°	109.4°
C12	C11	H11	108.6°	109.5°
C11	C12	H12	108.4°	109.5°
C11	C12	H13	108.4°	109.4°
C11	C10	C8	119.7°	120.0°
C11	C10	O3	122.8°	120.0°
C10	C11	H10	108.6°	109.5°
C10	C11	H11	108.6°	109.5°
C12	C13	C14	113.6°	109.5°
C12	C13	H8	108.4°	109.5°
C12	C13	H9	108.5°	109.6°
C13	C12	H12	108.4°	109.5°
C13	C12	H13	108.4°	109.5°
C13	C14	H5	109.5°	109.5°
C13	C14	H6	109.5°	109.5°
C13	C14	H7	109.4°	109.4°
C14	C13	H8	108.4°	109.4°
C14	C13	H9	108.4°	109.4°
C6	C7	C8	119.8°	119.8°
C7	C6	C4	117.9°	119.2°
C7	C8	C10	123.3°	120.1°
C7	C8	C9	120.4°	119.8°
C6	C4	C5	120.0°	120.9°
C6	C4	C3	121.9°	119.3°
O	C5	C4	120.4°	120.1°
O	C5	C	119.6°	120.2°
C5	O	H2	109.5°	114.0°
C8	C10	O3	117.5°	120.0°
C10	C8	C9	116.3°	120.1°
C8	C9	C3	118.9°	119.4°
C8	C9	O2	119.6°	120.2°
C5	C4	C3	118.0°	119.8°
C4	C5	C	120.0°	119.7°
C4	C3	C9	121.0°	119.4°
C4	C3	C2	121.5°	119.7°
C5	C	O6	120.5°	119.8°
C5	C	C1	121.5°	120.4°
C3	C9	O2	121.5°	120.4°
C9	C3	C2	117.5°	120.9°
C3	C2	C1	119.2°	119.9°
C3	C2	O5	122.2°	120.0°
O6	C	C1	118.0°	119.8°
C	O6	H1	109.5°	114.0°
C	C1	C2	119.7°	120.5°
C	C1	H3	120.1°	119.8°
C1	C2	O5	118.6°	120.1°
C2	C1	H3	120.1°	119.7°
C2	O5	H4	109.5°	114.0°
H5	C14	H6	109.4°	109.5°
H5	C14	H7	109.5°	109.4°
H6	C14	H7	109.5°	109.4°
H8	C13	H9	109.5°	109.5°
H10	C11	H11	109.5°	109.5°
H12	C12	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C7	C6	O1	0.2°	13.8°
O4	C7	C6	C8	179.3°	180.0°
O4	C7	C6	C4	179.6°	166.2°
O4	C7	C8	C10	0.7°	0.1°
O4	C7	C8	C9	179.8°	179.3°
O1	C6	C7	C4	179.4°	179.9°
O1	C6	C7	C8	179.1°	166.1°
O1	C6	C4	C5	1.2°	13.8°
O1	C6	C4	C3	179.3°	165.7°
C12	C11	C10	H10	120.5°	120.0°
C12	C11	C10	H11	120.5°	120.0°
C11	C12	C13	H12	120.6°	120.0°
C11	C12	C13	H13	120.6°	119.9°
C11	C12	C13	C14	107.7°	180.0°
C12	C11	C10	C8	142.5°	180.0°
C12	C11	C10	O3	36.3°	0.0°
C11	C12	C13	H8	131.8°	60.0°
C11	C12	C13	H9	13.0°	60.0°
C12	C11	H10	H11	118.5°	120.0°
C11	C12	H12	H13	118.1°	119.9°
C10	C11	C12	C13	112.5°	180.0°
C11	C10	C8	C7	75.9°	179.1°
C11	C10	C8	O3	178.8°	180.0°
C11	C10	C8	C9	104.5°	0.1°
C10	C11	H10	H11	118.5°	120.0°
C10	C11	C12	H12	8.1°	60.0°
C10	C11	C12	H13	126.9°	60.0°
C12	C13	C14	H8	120.6°	120.0°
C12	C13	C14	H9	120.6°	120.1°
C12	C13	C14	H5	180.0°	180.0°
C12	C13	C14	H6	60.0°	59.9°
C12	C13	C14	H7	60.0°	60.0°
C12	C13	H8	H9	118.2°	120.1°
C13	C12	C11	H10	8.0°	60.0°
C13	C12	C11	H11	127.0°	60.0°
C13	C12	H12	H13	118.1°	120.1°
C13	C14	H5	H6	120.0°	120.1°
C13	C14	H5	H7	120.0°	120.0°
C13	C14	H6	H7	120.0°	119.9°
C14	C13	H8	H9	118.1°	119.9°
C14	C13	C12	H12	13.0°	60.0°
C14	C13	C12	H13	131.7°	60.0°
C6	C7	C8	C10	180.0°	179.8°
C6	C7	C8	C9	0.5°	0.7°
C7	C6	C4	C5	179.5°	166.2°
C7	C6	C4	C3	0.0°	14.2°
C6	C7	O4	H14	0.1°	0.0°
C8	C7	C6	C4	0.3°	13.8°
C7	C8	C10	C9	179.6°	179.1°
C7	C8	C10	O3	105.2°	0.9°
C7	C8	C9	C3	0.4°	14.7°
C7	C8	C9	O2	179.9°	166.2°
C8	C7	O4	H14	179.2°	179.9°
C6	C4	C5	O	1.4°	0.4°
C6	C4	C5	C3	179.5°	179.6°
C6	C4	C5	C	179.9°	180.0°
C6	C4	C3	C9	0.0°	0.3°
C6	C4	C3	C2	179.9°	179.8°
O	C5	C4	C	178.7°	179.6°
O	C5	C4	C3	179.1°	180.0°
O	C5	C	O6	0.5°	0.2°
O	C5	C	C1	179.4°	179.9°
C10	C8	C9	C3	180.0°	166.2°
C10	C8	C9	O2	0.3°	13.0°
C8	C10	C11	H10	22.0°	60.0°
C8	C10	C11	H11	97.0°	60.0°
O3	C10	C8	C9	74.3°	180.0°
O3	C10	C11	H10	156.8°	120.0°
O3	C10	C11	H11	84.2°	120.0°
C8	C9	C3	C4	0.2°	14.2°
C8	C9	C3	O2	179.7°	179.1°
C8	C9	C3	C2	179.9°	165.8°
C5	C4	C3	C9	179.5°	179.9°
C5	C4	C3	C2	0.4°	0.2°
C4	C5	C	O6	179.2°	179.8°
C4	C5	C	C1	0.7°	0.5°
C4	C5	O	H2	0.8°	89.9°
C3	C4	C5	C	0.4°	0.5°
C4	C3	C9	C2	180.0°	179.9°
C4	C3	C9	O2	179.8°	166.7°
C4	C3	C2	C1	0.6°	0.0°
C4	C3	C2	O5	180.0°	180.0°
C5	C	O6	C1	179.9°	179.7°
C5	C	C1	C2	0.9°	0.3°
C5	C	O6	H1	180.0°	90.3°
C	C5	O	H2	179.5°	90.5°
C5	C	C1	H3	179.1°	179.7°
C9	C3	C2	C1	179.3°	179.9°
C9	C3	C2	O5	0.0°	0.1°
O2	C9	C3	C2	0.2°	13.4°
C3	C2	C1	C	0.9°	0.1°
C3	C2	C1	O5	179.3°	180.0°
C3	C2	C1	H3	179.1°	180.0°
C3	C2	O5	H4	0.1°	90.0°
O6	C	C1	C2	179.0°	180.0°
O6	C	C1	H3	1.0°	0.0°
C	C1	C2	H3	180.0°	180.0°
C	C1	C2	O5	179.8°	180.0°
C1	C	O6	H1	0.1°	90.0°
C1	C2	O5	H4	179.4°	89.9°
O5	C2	C1	H3	0.2°	0.0°
H5	C14	H6	H7	120.0°	120.0°
H5	C14	C13	H8	59.4°	60.1°
H5	C14	C13	H9	59.3°	59.9°
H6	C14	C13	H8	179.4°	60.0°
H6	C14	C13	H9	60.6°	180.0°
H7	C14	C13	H8	60.6°	180.0°
H7	C14	C13	H9	179.4°	60.1°
H8	C13	C12	H12	107.6°	180.0°
H8	C13	C12	H13	11.1°	59.9°
H9	C13	C12	H12	133.6°	60.0°
H9	C13	C12	H13	107.7°	180.0°
H10	C11	C12	H12	128.6°	60.0°
H10	C11	C12	H13	112.6°	180.0°
H11	C11	C12	H12	112.4°	180.0°
H11	C11	C12	H13	6.4°	60.0°

Release date:	2020-09-09
Definition date:	2020-03-25
Last modified:	2020-09-04
Release status:	REL
Processing site:	PDBE
Derived from:	6YEM