9CU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.36Å	1.37Å
O4	C8	doub	1.22Å	1.23Å
C1	C2	doub	1.38Å	1.38Å	Aromatic
C1	C9	sing	1.40Å	1.39Å	Aromatic
C2	C3	sing	1.39Å	1.38Å	Aromatic
C8	C9	sing	1.48Å	1.40Å
C8	O3	sing	1.36Å	1.34Å
C9	C5	doub	1.40Å	1.40Å	Aromatic
C3	O2	sing	1.36Å	1.38Å
C3	C4	doub	1.39Å	1.39Å	Aromatic
O3	C7	sing	1.46Å	1.46Å
C5	C4	sing	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.51Å	1.38Å
C6	C7	sing	1.53Å	1.48Å
C7	C10	sing	1.53Å	1.52Å
C10	C11	sing	1.53Å	1.51Å
C11	C15	sing	1.53Å	1.49Å
C11	O5	sing	1.43Å	1.44Å
C15	C14	sing	1.53Å	1.46Å
O5	C12	sing	1.43Å	1.45Å
C14	C13	sing	1.53Å	1.53Å
C12	C13	sing	1.53Å	1.53Å
C12	C16	sing	1.53Å	1.51Å
C16	H1	sing	1.09Å	1.10Å
C16	H2	sing	1.09Å	1.10Å
C16	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C15	H10	sing	1.09Å	1.10Å
C15	H11	sing	1.09Å	1.10Å
C4	H12	sing	1.08Å	1.08Å
C12	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.09Å	1.10Å
C13	H16	sing	1.09Å	1.10Å
C13	H17	sing	1.09Å	1.10Å
C11	H18	sing	1.09Å	1.10Å
O2	H19	sing	0.97Å	0.95Å
O1	H20	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	120.6°	120.2°
O1	C1	C9	118.2°	120.2°
C1	O1	H20	109.5°	114.0°
O4	C8	C9	122.6°	121.4°
O4	C8	O3	120.8°	121.4°
C2	C1	C9	121.2°	119.6°
C1	C2	C3	121.0°	120.0°
C1	C2	H7	119.5°	120.0°
C1	C9	C8	121.1°	120.4°
C1	C9	C5	117.9°	120.2°
C2	C3	O2	120.1°	119.8°
C2	C3	C4	119.0°	120.4°
C3	C2	H7	119.5°	120.0°
C9	C8	O3	116.3°	117.2°
C8	C9	C5	121.1°	119.4°
C8	O3	C7	118.9°	114.5°
C9	C5	C4	121.0°	119.6°
C9	C5	C6	121.3°	120.6°
O2	C3	C4	120.9°	119.8°
C3	O2	H19	109.5°	114.0°
C3	C4	C5	120.0°	120.3°
C3	C4	H12	120.0°	119.9°
O3	C7	C6	110.4°	109.3°
O3	C7	C10	109.7°	109.5°
O3	C7	H4	110.0°	109.5°
C4	C5	C6	117.7°	119.8°
C5	C4	H12	120.0°	119.9°
C5	C6	C7	109.3°	110.3°
C5	C6	H5	109.5°	109.3°
C5	C6	H6	109.5°	109.2°
C6	C7	C10	107.8°	109.5°
C6	C7	H4	109.7°	109.5°
C7	C6	H5	109.5°	109.3°
C7	C6	H6	109.5°	109.3°
C7	C10	C11	109.2°	109.5°
C10	C7	H4	109.2°	109.5°
C7	C10	H14	109.5°	109.5°
C7	C10	H15	109.5°	109.5°
C10	C11	C15	108.8°	109.5°
C10	C11	O5	106.3°	109.5°
C11	C10	H14	109.5°	109.5°
C11	C10	H15	109.5°	109.5°
C10	C11	H18	110.2°	109.5°
C15	C11	O5	109.7°	109.4°
C11	C15	C14	106.8°	109.1°
C11	C15	H10	110.1°	109.5°
C11	C15	H11	110.1°	109.6°
C15	C11	H18	110.5°	109.5°
C11	O5	C12	108.1°	114.1°
O5	C11	H18	111.3°	109.5°
C15	C14	C13	109.8°	109.0°
C15	C14	H8	109.4°	109.5°
C15	C14	H9	109.4°	109.6°
C14	C15	H10	110.1°	109.5°
C14	C15	H11	110.2°	109.5°
O5	C12	C13	109.8°	109.5°
O5	C12	C16	107.2°	109.4°
O5	C12	H13	111.0°	109.5°
C14	C13	C12	110.5°	109.2°
C13	C14	H8	109.4°	109.6°
C13	C14	H9	109.4°	109.5°
C14	C13	H16	109.2°	109.5°
C14	C13	H17	109.2°	109.5°
C13	C12	C16	108.8°	109.5°
C13	C12	H13	109.9°	109.5°
C12	C13	H16	109.2°	109.5°
C12	C13	H17	109.2°	109.5°
C12	C16	H1	109.5°	109.5°
C12	C16	H2	109.4°	109.5°
C12	C16	H3	109.5°	109.5°
C16	C12	H13	110.1°	109.5°
H1	C16	H2	109.5°	109.5°
H1	C16	H3	109.5°	109.5°
H2	C16	H3	109.5°	109.4°
H5	C6	H6	109.4°	109.3°
H8	C14	H9	109.5°	109.6°
H10	C15	H11	109.5°	109.6°
H14	C10	H15	109.5°	109.4°
H16	C13	H17	109.4°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	C9	178.0°	179.9°
O1	C1	C2	C3	177.9°	179.9°
O1	C1	C9	C8	2.8°	0.4°
O1	C1	C9	C5	177.6°	179.7°
O1	C1	C2	H7	2.1°	0.1°
O4	C8	C9	C1	1.7°	9.8°
O4	C8	C9	O3	173.7°	180.0°
O4	C8	C9	C5	178.7°	170.1°
O4	C8	O3	C7	156.0°	138.2°
C1	C2	C3	H7	180.0°	180.0°
C2	C1	C9	C8	179.2°	179.7°
C2	C1	C9	C5	0.4°	0.2°
C1	C2	C3	O2	179.8°	179.9°
C1	C2	C3	C4	0.7°	0.1°
C2	C1	O1	H20	179.9°	90.0°
C9	C1	C2	C3	0.1°	0.0°
C1	C9	C8	C5	179.6°	179.9°
C1	C9	C8	O3	172.1°	170.3°
C1	C9	C5	C4	0.0°	0.3°
C1	C9	C5	C6	180.0°	179.5°
C9	C1	C2	H7	179.9°	180.0°
C9	C1	O1	H20	1.9°	89.9°
C2	C3	O2	C4	179.5°	180.0°
C2	C3	C4	C5	1.1°	0.0°
C2	C3	C4	H12	178.9°	180.0°
C2	C3	O2	H19	180.0°	90.0°
C9	C8	O3	C7	17.9°	41.8°
C8	C9	C5	C4	179.6°	179.6°
C8	C9	C5	C6	0.4°	0.6°
O3	C8	C9	C5	7.5°	9.8°
C8	O3	C7	C6	48.8°	62.7°
C8	O3	C7	C10	167.4°	177.3°
C8	O3	C7	H4	72.4°	57.3°
C9	C5	C4	C3	0.8°	0.2°
C9	C5	C4	C6	180.0°	179.8°
C9	C5	C6	C7	30.8°	21.3°
C9	C5	C6	H5	89.2°	141.5°
C9	C5	C6	H6	150.8°	98.9°
C9	C5	C4	H12	179.2°	179.8°
O2	C3	C4	C5	179.4°	180.0°
O2	C3	C2	H7	0.2°	0.1°
O2	C3	C4	H12	0.6°	0.0°
C3	C4	C5	H12	180.0°	180.0°
C3	C4	C5	C6	179.2°	179.6°
C4	C3	C2	H7	179.3°	179.9°
C4	C3	O2	H19	0.5°	90.0°
O3	C7	C6	C5	52.3°	49.8°
O3	C7	C6	C10	119.8°	120.0°
O3	C7	C6	H4	121.4°	119.9°
O3	C7	C10	H4	120.6°	120.0°
O3	C7	C10	C11	74.8°	65.1°
O3	C7	C6	H5	67.7°	170.0°
O3	C7	C6	H6	172.3°	70.3°
O3	C7	C10	H14	45.1°	55.0°
O3	C7	C10	H15	165.3°	174.9°
C4	C5	C6	C7	149.2°	158.9°
C4	C5	C6	H5	90.8°	38.7°
C4	C5	C6	H6	29.2°	80.9°
C5	C6	C7	H5	120.0°	120.2°
C5	C6	C7	H6	120.0°	120.1°
C5	C6	C7	C10	172.2°	169.7°
C5	C6	C7	H4	69.0°	70.2°
C5	C6	H5	H6	120.1°	119.5°
C6	C5	C4	H12	0.8°	0.4°
C6	C7	C10	H4	119.1°	120.1°
C6	C7	C10	C11	164.9°	175.1°
C7	C6	H5	H6	120.1°	119.7°
C6	C7	C10	H14	75.1°	64.9°
C6	C7	C10	H15	45.0°	55.0°
C7	C10	C11	H14	119.9°	120.0°
C7	C10	C11	H15	119.9°	120.0°
C7	C10	C11	C15	178.2°	175.0°
C7	C10	C11	O5	63.8°	65.0°
C10	C7	C6	H5	52.2°	70.1°
C10	C7	C6	H6	67.8°	49.6°
C7	C10	H14	H15	120.1°	119.9°
C7	C10	C11	H18	56.9°	55.0°
C10	C11	C15	O5	115.8°	120.0°
C10	C11	C15	H18	121.1°	120.0°
C10	C11	O5	H18	120.0°	120.0°
C10	C11	C15	C14	175.8°	177.6°
C10	C11	O5	C12	174.2°	178.9°
C11	C10	C7	H4	45.8°	54.9°
C10	C11	C15	H10	56.2°	57.8°
C10	C11	C15	H11	64.6°	62.5°
C11	C10	H14	H15	120.1°	120.0°
C15	C11	O5	H18	122.6°	120.0°
C11	C15	C14	H10	119.6°	119.9°
C11	C15	C14	H11	119.6°	119.9°
C15	C11	O5	C12	68.4°	61.1°
C11	C15	C14	C13	59.5°	57.0°
C11	C15	C14	H8	60.6°	62.9°
C11	C15	C14	H9	179.5°	176.9°
C11	C15	H10	H11	121.2°	120.2°
C15	C11	C10	H14	58.3°	55.0°
C15	C11	C10	H15	61.9°	65.0°
O5	C11	C15	C14	68.4°	57.6°
C11	O5	C12	C13	59.5°	61.1°
C11	O5	C12	C16	177.6°	178.9°
O5	C11	C15	H10	172.1°	62.3°
O5	C11	C15	H11	51.2°	177.5°
C11	O5	C12	H13	62.2°	58.9°
O5	C11	C10	H14	176.3°	174.9°
O5	C11	C10	H15	56.2°	55.0°
C15	C14	C13	H8	120.0°	119.9°
C15	C14	C13	H9	120.0°	119.9°
C15	C14	C13	C12	53.5°	57.0°
C15	C14	H8	H9	119.8°	120.2°
C14	C15	H10	H11	121.2°	120.1°
C15	C14	C13	H16	173.7°	176.9°
C15	C14	C13	H17	66.7°	62.9°
C14	C15	C11	H18	54.7°	62.4°
O5	C12	C13	C14	52.7°	57.6°
O5	C12	C13	C16	117.0°	120.0°
O5	C12	C13	H13	122.4°	120.0°
O5	C12	C16	H13	120.8°	120.0°
O5	C12	C16	H1	180.0°	60.0°
O5	C12	C16	H2	60.0°	60.0°
O5	C12	C16	H3	60.0°	180.0°
O5	C12	C13	H16	172.9°	177.5°
O5	C12	C13	H17	67.5°	62.3°
C12	O5	C11	H18	54.2°	58.9°
C14	C13	C12	H16	120.2°	119.9°
C14	C13	C12	H17	120.2°	119.9°
C14	C13	C12	C16	169.7°	177.6°
C13	C14	H8	H9	119.8°	120.2°
C13	C14	C15	H10	179.1°	62.9°
C13	C14	C15	H11	60.1°	176.9°
C14	C13	C12	H13	69.7°	62.4°
C14	C13	H16	H17	119.5°	120.2°
C13	C12	C16	H13	120.5°	120.0°
C13	C12	C16	H1	61.3°	60.0°
C13	C12	C16	H2	58.7°	180.0°
C13	C12	C16	H3	178.7°	60.0°
C12	C13	C14	H8	66.5°	62.9°
C12	C13	C14	H9	173.5°	176.9°
C12	C13	H16	H17	119.5°	120.1°
C12	C16	H1	H2	120.0°	120.0°
C12	C16	H1	H3	120.0°	120.0°
C12	C16	H2	H3	120.0°	120.0°
C16	C12	C13	H16	70.1°	62.5°
C16	C12	C13	H17	49.6°	57.7°
H1	C16	H2	H3	120.0°	120.0°
H1	C16	C12	H13	59.2°	180.0°
H2	C16	C12	H13	179.2°	60.0°
H3	C16	C12	H13	60.8°	60.0°
H4	C7	C6	H5	171.0°	50.0°
H4	C7	C6	H6	51.0°	169.7°
H4	C7	C10	H14	165.8°	175.0°
H4	C7	C10	H15	74.1°	65.1°
H8	C14	C15	H10	59.0°	177.2°
H8	C14	C15	H11	179.9°	57.0°
H8	C14	C13	H16	53.6°	57.0°
H8	C14	C13	H17	173.3°	177.2°
H9	C14	C15	H10	60.9°	57.0°
H9	C14	C15	H11	60.0°	63.2°
H9	C14	C13	H16	66.3°	63.2°
H9	C14	C13	H17	53.4°	57.0°
H10	C15	C11	H18	64.9°	177.8°
H11	C15	C11	H18	174.3°	57.5°
H13	C12	C13	H16	50.5°	57.5°
H13	C12	C13	H17	170.1°	177.7°
H14	C10	C11	H18	63.0°	65.0°
H15	C10	C11	H18	176.8°	175.0°

Release date:	2018-06-27
Definition date:	2018-03-14
Last modified:	2018-06-22
Release status:	REL
Processing site:	RCSB
Derived from:	5ZH2