2UV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O18	C12	sing	1.36Å	1.39Å
O19	C13	doub	1.21Å	1.26Å
C12	C6	doub	1.39Å	1.38Å	Aromatic
C12	C10	sing	1.40Å	1.38Å	Aromatic
C6	C3	sing	1.38Å	1.38Å	Aromatic
C13	C10	sing	1.47Å	1.47Å
C13	O17	sing	1.35Å	1.25Å
C10	C7	doub	1.40Å	1.38Å	Aromatic
C3	C9	doub	1.40Å	1.38Å	Aromatic
C7	C9	sing	1.39Å	1.38Å	Aromatic
C9	C8	sing	1.48Å	1.46Å
C1	C8	doub	1.39Å	1.37Å	Aromatic
C1	C4	sing	1.38Å	1.38Å	Aromatic
C8	C2	sing	1.39Å	1.38Å	Aromatic
C4	C11	doub	1.38Å	1.38Å	Aromatic
C16	C14	sing	1.53Å	1.52Å
C16	C15	sing	1.53Å	1.51Å
C2	C5	doub	1.38Å	1.38Å	Aromatic
C11	C5	sing	1.38Å	1.38Å	Aromatic
C11	C15	sing	1.51Å	1.50Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
C15	H11	sing	1.09Å	1.10Å
C15	H12	sing	1.09Å	1.10Å
C16	H13	sing	1.09Å	1.10Å
C16	H14	sing	1.09Å	1.10Å
O17	H15	sing	0.97Å	0.95Å
O18	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O18	C12	C6	120.1°	120.1°
O18	C12	C10	119.9°	120.1°
C12	O18	H16	109.5°	114.0°
O19	C13	C10	116.3°	120.0°
O19	C13	O17	125.3°	120.0°
C6	C12	C10	119.8°	119.9°
C12	C6	C3	119.4°	120.3°
C12	C6	H6	120.3°	119.9°
C12	C10	C13	120.9°	120.1°
C12	C10	C7	119.3°	119.8°
C6	C3	C9	122.3°	120.3°
C6	C3	H3	118.9°	119.9°
C3	C6	H6	120.3°	119.9°
C10	C13	O17	118.4°	120.0°
C13	C10	C7	119.7°	120.1°
C13	O17	H15	109.5°	117.0°
C10	C7	C9	122.3°	119.7°
C10	C7	H7	118.9°	120.1°
C3	C9	C7	116.8°	120.1°
C3	C9	C8	124.3°	120.0°
C9	C3	H3	118.8°	119.9°
C7	C9	C8	119.0°	119.9°
C9	C7	H7	118.8°	120.2°
C9	C8	C1	123.1°	120.1°
C9	C8	C2	121.0°	120.1°
C8	C1	C4	121.5°	119.9°
C1	C8	C2	115.9°	119.7°
C8	C1	H1	119.2°	120.0°
C1	C4	C11	122.2°	120.2°
C4	C1	H1	119.3°	120.1°
C1	C4	H4	118.9°	119.9°
C8	C2	C5	123.5°	119.9°
C8	C2	H2	118.3°	120.1°
C4	C11	C5	117.3°	120.2°
C4	C11	C15	121.4°	119.9°
C11	C4	H4	118.9°	119.9°
C14	C16	C15	110.7°	109.5°
C16	C14	H8	109.5°	109.5°
C16	C14	H9	109.5°	109.5°
C16	C14	H10	109.5°	109.4°
C14	C16	H13	109.2°	109.4°
C14	C16	H14	109.2°	109.5°
C16	C15	C11	108.7°	109.5°
C16	C15	H11	109.6°	109.5°
C16	C15	H12	109.7°	109.5°
C15	C16	H13	109.2°	109.5°
C15	C16	H14	109.2°	109.5°
C2	C5	C11	119.5°	120.1°
C5	C2	H2	118.2°	120.1°
C2	C5	H5	120.2°	119.9°
C5	C11	C15	121.2°	119.9°
C11	C5	H5	120.2°	120.0°
C11	C15	H11	109.7°	109.5°
C11	C15	H12	109.7°	109.5°
H8	C14	H9	109.5°	109.5°
H8	C14	H10	109.4°	109.4°
H9	C14	H10	109.5°	109.5°
H11	C15	H12	109.5°	109.4°
H13	C16	H14	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O18	C12	C6	C10	175.5°	180.0°
O18	C12	C6	C3	177.9°	179.9°
O18	C12	C10	C13	4.6°	0.2°
O18	C12	C10	C7	179.3°	179.7°
O18	C12	C6	H6	2.1°	0.1°
O19	C13	C10	C12	3.1°	0.5°
O19	C13	C10	O17	178.0°	179.9°
O19	C13	C10	C7	179.2°	179.9°
O19	C13	O17	H15	0.0°	0.0°
C12	C6	C3	H6	180.0°	180.0°
C6	C12	C10	C13	179.9°	179.8°
C6	C12	C10	C7	3.8°	0.3°
C12	C6	C3	C9	0.0°	0.0°
C12	C6	C3	H3	180.0°	179.7°
C6	C12	O18	H16	178.5°	90.0°
C10	C12	C6	C3	2.4°	0.0°
C12	C10	C13	C7	176.1°	179.5°
C12	C10	C13	O17	178.9°	179.5°
C12	C10	C7	C9	2.8°	0.5°
C10	C12	C6	H6	177.6°	180.0°
C12	C10	C7	H7	177.2°	180.0°
C10	C12	O18	H16	3.0°	90.1°
C6	C3	C9	H3	180.0°	179.6°
C6	C3	C9	C7	0.9°	0.3°
C6	C3	C9	C8	177.3°	179.7°
C13	C10	C7	C9	179.0°	180.0°
C13	C10	C7	H7	1.0°	0.5°
C10	C13	O17	H15	177.8°	179.9°
O17	C13	C10	C7	2.8°	0.0°
C10	C7	C9	C3	0.5°	0.5°
C10	C7	C9	H7	180.0°	179.5°
C10	C7	C9	C8	178.8°	179.4°
C3	C9	C7	C8	178.4°	180.0°
C3	C9	C8	C1	18.8°	0.0°
C3	C9	C8	C2	163.6°	179.9°
C9	C3	C6	H6	180.0°	180.0°
C3	C9	C7	H7	179.5°	180.0°
C7	C9	C8	C1	163.0°	180.0°
C7	C9	C8	C2	14.7°	0.1°
C7	C9	C3	H3	179.1°	179.9°
C9	C8	C1	C2	177.8°	179.9°
C9	C8	C1	C4	176.4°	180.0°
C9	C8	C2	C5	175.4°	180.0°
C9	C8	C1	H1	3.5°	0.2°
C9	C8	C2	H2	4.6°	0.0°
C8	C9	C3	H3	2.6°	0.1°
C8	C9	C7	H7	1.1°	0.0°
C8	C1	C4	H1	180.0°	179.8°
C8	C1	C4	C11	1.5°	0.1°
C1	C8	C2	C5	2.4°	0.0°
C1	C8	C2	H2	177.5°	179.9°
C8	C1	C4	H4	178.5°	180.0°
C4	C1	C8	C2	1.3°	0.1°
C1	C4	C11	H4	180.0°	180.0°
C1	C4	C11	C5	3.2°	0.0°
C1	C4	C11	C15	180.0°	180.0°
C8	C2	C5	H2	180.0°	180.0°
C8	C2	C5	C11	0.8°	0.0°
C2	C8	C1	H1	178.7°	179.7°
C8	C2	C5	H5	179.2°	180.0°
C4	C11	C15	C16	87.2°	90.0°
C4	C11	C5	C2	2.0°	0.0°
C4	C11	C5	C15	176.9°	180.0°
C11	C4	C1	H1	178.5°	179.7°
C4	C11	C5	H5	178.0°	180.0°
C4	C11	C15	H11	32.7°	150.0°
C4	C11	C15	H12	152.9°	30.0°
C14	C16	C15	H13	120.2°	119.9°
C14	C16	C15	H14	120.2°	120.1°
C14	C16	C15	C11	174.2°	180.0°
C16	C14	H8	H9	120.0°	120.1°
C16	C14	H8	H10	120.0°	120.0°
C16	C14	H9	H10	120.0°	120.0°
C14	C16	C15	H11	65.9°	59.9°
C14	C16	C15	H12	54.4°	60.0°
C14	C16	H13	H14	119.4°	120.0°
C16	C15	C11	C5	96.1°	90.1°
C16	C15	C11	H11	119.9°	120.0°
C16	C15	C11	H12	119.9°	120.0°
C15	C16	C14	H8	180.0°	180.0°
C15	C16	C14	H9	60.0°	59.9°
C15	C16	C14	H10	60.0°	60.1°
C16	C15	H11	H12	120.3°	120.0°
C15	C16	H13	H14	119.4°	120.0°
C2	C5	C11	H5	180.0°	180.0°
C2	C5	C11	C15	178.9°	180.0°
C11	C5	C2	H2	179.2°	180.0°
C5	C11	C4	H4	176.8°	180.0°
C5	C11	C15	H11	144.1°	30.0°
C5	C11	C15	H12	23.8°	149.9°
C15	C11	C4	H4	0.0°	0.1°
C15	C11	C5	H5	1.1°	0.0°
C11	C15	H11	H12	120.4°	120.0°
C11	C15	C16	H13	54.0°	60.0°
C11	C15	C16	H14	65.6°	60.0°
H1	C1	C4	H4	1.5°	0.2°
H2	C2	C5	H5	0.8°	0.0°
H3	C3	C6	H6	0.0°	0.3°
H8	C14	H9	H10	120.0°	120.0°
H8	C14	C16	H13	59.8°	60.0°
H8	C14	C16	H14	59.8°	60.0°
H9	C14	C16	H13	60.2°	60.0°
H9	C14	C16	H14	179.8°	NaN°
H10	C14	C16	H13	179.8°	180.0°
H10	C14	C16	H14	60.2°	60.0°
H11	C15	C16	H13	173.9°	60.0°
H11	C15	C16	H14	54.3°	180.0°
H12	C15	C16	H13	65.8°	180.0°
H12	C15	C16	H14	174.6°	60.0°

Release date:	2014-03-12
Definition date:	2014-02-13
Last modified:	2014-03-07
Release status:	REL
Processing site:	RCSB
Derived from:	4OQ6