27O

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	C16	doub	1.39Å	1.39Å	Aromatic
C15	C14	sing	1.36Å	1.39Å	Aromatic
C16	C17	sing	1.36Å	1.39Å	Aromatic
C14	C13	doub	1.41Å	1.39Å	Aromatic
C17	C18	doub	1.41Å	1.40Å	Aromatic
C13	C18	sing	1.42Å	1.49Å	Aromatic
C13	C6	sing	1.41Å	1.50Å	Aromatic
C18	C3	sing	1.41Å	1.50Å	Aromatic
C7	C8	sing	1.53Å	1.53Å
C7	C6	sing	1.51Å	1.51Å
C7	C12	sing	1.53Å	1.52Å
O1	C2	doub	1.21Å	1.23Å
C10	C11	sing	1.53Å	1.53Å
C10	C9	sing	1.53Å	1.53Å
C8	C9	sing	1.53Å	1.53Å
C11	C12	sing	1.53Å	1.52Å
C6	C5	doub	1.36Å	1.41Å	Aromatic
C2	O	sing	1.34Å	1.33Å
C2	C1	sing	1.51Å	1.51Å
C3	C1	sing	1.51Å	1.50Å
C3	C4	doub	1.36Å	1.41Å	Aromatic
C1	C	sing	1.53Å	1.53Å
C5	C4	sing	1.39Å	1.41Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C15	H7	sing	1.08Å	1.08Å
C17	H8	sing	1.08Å	1.08Å
O	H9	sing	0.97Å	0.95Å
C1	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C16	H14	sing	1.08Å	1.08Å
C14	H15	sing	1.08Å	1.08Å
C12	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å
C11	H18	sing	1.09Å	1.10Å
C11	H19	sing	1.09Å	1.10Å
C9	H20	sing	1.09Å	1.10Å
C8	H21	sing	1.09Å	1.10Å
C9	H22	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	C15	C14	121.3°	120.9°
C15	C16	C17	120.5°	121.0°
C16	C15	H7	119.4°	119.5°
C15	C16	H14	119.7°	119.4°
C15	C14	C13	120.7°	119.6°
C14	C15	H7	119.4°	119.5°
C15	C14	H15	119.6°	120.2°
C16	C17	C18	120.4°	119.6°
C16	C17	H8	119.8°	120.2°
C17	C16	H14	119.7°	119.5°
C14	C13	C18	118.1°	119.4°
C14	C13	C6	122.4°	121.3°
C13	C14	H15	119.6°	120.2°
C17	C18	C13	118.9°	119.4°
C17	C18	C3	122.6°	121.3°
C18	C17	H8	119.8°	120.2°
C18	C13	C6	119.5°	119.4°
C13	C18	C3	118.5°	119.3°
C13	C6	C7	119.5°	120.2°
C13	C6	C5	117.6°	119.7°
C18	C3	C1	119.6°	120.2°
C18	C3	C4	118.3°	119.7°
C8	C7	C6	108.3°	109.5°
C8	C7	C12	108.1°	109.5°
C7	C8	C9	117.6°	109.5°
C8	C7	H3	108.5°	109.5°
C7	C8	H4	107.4°	109.4°
C7	C8	H21	107.4°	109.5°
C6	C7	C12	114.4°	109.5°
C7	C6	C5	122.9°	120.1°
C6	C7	H3	108.8°	109.4°
C7	C12	C11	111.1°	109.5°
C12	C7	H3	108.6°	109.5°
C7	C12	H16	109.0°	109.5°
C7	C12	H17	109.1°	109.4°
O1	C2	O	117.4°	120.0°
O1	C2	C1	121.4°	119.9°
C11	C10	C9	115.9°	109.5°
C10	C11	C12	114.5°	109.5°
C11	C10	H5	107.9°	109.5°
C11	C10	H6	107.8°	109.4°
C10	C11	H18	108.2°	109.5°
C10	C11	H19	108.2°	109.4°
C10	C9	C8	118.3°	109.5°
C9	C10	H5	107.8°	109.5°
C9	C10	H6	107.9°	109.5°
C10	C9	H20	107.2°	109.5°
C10	C9	H22	107.2°	109.5°
C9	C8	H4	107.4°	109.4°
C8	C9	H20	107.2°	109.5°
C9	C8	H21	107.4°	109.5°
C8	C9	H22	107.2°	109.4°
C11	C12	H16	109.1°	109.5°
C11	C12	H17	109.1°	109.5°
C12	C11	H18	108.2°	109.5°
C12	C11	H19	108.2°	109.5°
C6	C5	C4	123.3°	120.9°
C6	C5	H2	118.3°	119.5°
O	C2	C1	121.2°	120.1°
C2	O	H9	109.5°	117.0°
C2	C1	C3	113.0°	109.5°
C2	C1	C	109.0°	109.5°
C2	C1	H10	107.5°	109.4°
C1	C3	C4	122.1°	120.1°
C3	C1	C	112.3°	109.5°
C3	C1	H10	107.6°	109.5°
C3	C4	C5	122.8°	121.0°
C3	C4	H1	118.6°	119.5°
C	C1	H10	107.3°	109.5°
C1	C	H11	109.5°	109.5°
C1	C	H12	109.4°	109.5°
C1	C	H13	109.5°	109.5°
C5	C4	H1	118.6°	119.5°
C4	C5	H2	118.4°	119.5°
H4	C8	H21	109.5°	109.5°
H5	C10	H6	109.5°	109.4°
H11	C	H12	109.5°	109.5°
H11	C	H13	109.5°	109.4°
H12	C	H13	109.5°	109.5°
H16	C12	H17	109.5°	109.4°
H18	C11	H19	109.5°	109.4°
H20	C9	H22	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	C15	C14	H7	180.0°	179.8°
C15	C16	C17	H14	180.0°	179.8°
C16	C15	C14	C13	0.1°	0.0°
C15	C16	C17	C18	0.6°	0.5°
C15	C16	C17	H8	179.4°	180.0°
C16	C15	C14	H15	179.9°	180.0°
C14	C15	C16	C17	0.7°	0.2°
C15	C14	C13	H15	180.0°	179.9°
C15	C14	C13	C18	1.0°	0.0°
C15	C14	C13	C6	179.8°	179.8°
C14	C15	C16	H14	179.3°	180.0°
C16	C17	C18	H8	180.0°	179.5°
C16	C17	C18	C13	0.3°	0.5°
C16	C17	C18	C3	179.0°	179.8°
C17	C16	C15	H7	179.3°	180.0°
C14	C13	C18	C17	1.1°	0.2°
C14	C13	C18	C6	179.3°	179.8°
C14	C13	C18	C3	179.9°	180.0°
C14	C13	C6	C7	0.6°	0.2°
C14	C13	C6	C5	179.3°	179.8°
C13	C14	C15	H7	179.9°	179.7°
C17	C18	C13	C3	178.8°	179.7°
C17	C18	C13	C6	179.7°	180.0°
C17	C18	C3	C1	0.9°	0.0°
C17	C18	C3	C4	179.6°	179.8°
C18	C17	C16	H14	179.4°	179.7°
C18	C13	C6	C7	178.6°	179.9°
C18	C13	C6	C5	0.1°	0.0°
C13	C18	C3	C1	179.6°	179.7°
C13	C18	C3	C4	0.9°	0.5°
C13	C18	C17	H8	179.7°	180.0°
C18	C13	C14	H15	179.0°	180.0°
C6	C13	C18	C3	0.9°	0.2°
C13	C6	C7	C8	75.4°	125.0°
C13	C6	C7	C5	178.6°	179.9°
C13	C6	C7	C12	164.0°	114.9°
C13	C6	C5	C4	0.7°	0.1°
C13	C6	C5	H2	179.3°	180.0°
C13	C6	C7	H3	42.3°	5.0°
C6	C13	C14	H15	0.2°	0.1°
C18	C3	C1	C2	80.7°	114.0°
C18	C3	C1	C4	179.5°	179.8°
C18	C3	C1	C	155.6°	125.9°
C18	C3	C4	C5	0.2°	0.5°
C18	C3	C4	H1	179.9°	179.8°
C3	C18	C17	H8	1.0°	0.3°
C18	C3	C1	H10	37.8°	5.9°
C8	C7	C6	C12	120.6°	120.0°
C8	C7	C6	H3	117.8°	120.0°
C8	C7	C12	H3	117.5°	120.0°
C7	C8	C9	C10	10.9°	60.0°
C7	C8	C9	H4	121.2°	119.9°
C7	C8	C9	H21	121.2°	120.0°
C8	C7	C12	C11	65.3°	60.0°
C8	C7	C6	C5	103.2°	54.9°
C7	C8	H4	H21	116.3°	120.0°
C8	C7	C12	H16	174.4°	180.0°
C8	C7	C12	H17	54.9°	60.0°
C7	C8	C9	H20	132.1°	180.0°
C7	C8	C9	H22	110.4°	60.0°
C6	C7	C12	H3	121.8°	119.9°
C6	C7	C8	C9	157.4°	180.0°
C6	C7	C12	C11	174.0°	180.0°
C7	C6	C5	C4	179.4°	180.0°
C7	C6	C5	H2	0.6°	0.1°
C6	C7	C8	H4	36.3°	60.1°
C6	C7	C12	H16	53.7°	60.0°
C6	C7	C12	H17	65.8°	60.0°
C6	C7	C8	H21	81.4°	60.0°
C7	C12	C11	C10	52.9°	60.0°
C12	C7	C8	C9	33.0°	60.0°
C7	C12	C11	H16	120.2°	120.0°
C7	C12	C11	H17	120.3°	120.0°
C12	C7	C6	C5	17.4°	65.1°
C12	C7	C8	H4	88.1°	60.0°
C7	C12	H16	H17	119.2°	120.0°
C7	C12	C11	H18	173.6°	180.0°
C7	C12	C11	H19	67.9°	60.0°
C12	C7	C8	H21	154.2°	180.0°
O1	C2	O	C1	178.7°	180.0°
O1	C2	C1	C3	110.4°	0.1°
O1	C2	C1	C	124.0°	120.0°
O1	C2	O	H9	0.0°	0.0°
O1	C2	C1	H10	8.1°	120.0°
C11	C10	C9	H5	121.0°	120.0°
C11	C10	C9	H6	120.9°	120.0°
C11	C10	C9	C8	24.9°	60.0°
C10	C11	C12	H18	120.7°	120.0°
C10	C11	C12	H19	120.8°	120.0°
C11	C10	H5	H6	117.1°	119.9°
C10	C11	C12	H16	173.1°	180.0°
C10	C11	C12	H17	67.4°	60.0°
C10	C11	H18	H19	117.7°	119.9°
C11	C10	C9	H20	146.1°	180.0°
C11	C10	C9	H22	96.3°	60.0°
C10	C9	C8	H20	121.2°	120.0°
C10	C9	C8	H22	121.2°	120.0°
C9	C10	C11	C12	6.6°	60.0°
C10	C9	C8	H4	132.0°	60.0°
C9	C10	H5	H6	117.1°	120.0°
C9	C10	C11	H18	127.4°	179.9°
C9	C10	C11	H19	114.1°	60.0°
C10	C9	H20	H22	116.0°	120.0°
C10	C9	C8	H21	110.3°	180.0°
C9	C8	C7	H3	84.6°	60.0°
C9	C8	H4	H21	116.3°	120.0°
C8	C9	C10	H5	96.1°	180.0°
C8	C9	C10	H6	145.8°	60.0°
C8	C9	H20	H22	116.0°	120.0°
C11	C12	C7	H3	52.2°	60.0°
C12	C11	C10	H5	127.6°	180.0°
C12	C11	C10	H6	114.3°	60.1°
C11	C12	H16	H17	119.2°	120.0°
C12	C11	H18	H19	117.7°	120.0°
C6	C5	C4	C3	0.7°	0.3°
C6	C5	C4	H2	180.0°	179.9°
C6	C5	C4	H1	179.3°	180.0°
C5	C6	C7	H3	139.0°	174.9°
O	C2	C1	C3	71.0°	180.0°
O	C2	C1	C	54.6°	59.9°
O	C2	C1	H10	170.5°	60.0°
C2	C1	C3	C	123.7°	120.1°
C2	C1	C3	H10	118.5°	119.9°
C2	C1	C3	C4	99.9°	65.8°
C2	C1	C	H10	116.1°	119.9°
C1	C2	O	H9	178.7°	180.0°
C2	C1	C	H11	180.0°	59.9°
C2	C1	C	H12	60.0°	180.0°
C2	C1	C	H13	60.0°	60.0°
C3	C1	C	H10	118.0°	120.0°
C1	C3	C4	C5	179.6°	179.7°
C1	C3	C4	H1	0.4°	0.0°
C3	C1	C	H11	54.1°	180.0°
C3	C1	C	H12	66.0°	60.0°
C3	C1	C	H13	174.0°	60.0°
C4	C3	C1	C	23.9°	54.3°
C3	C4	C5	H1	180.0°	179.7°
C3	C4	C5	H2	179.3°	179.7°
C4	C3	C1	H10	141.6°	174.3°
C1	C	H11	H12	120.0°	120.0°
C1	C	H11	H13	120.0°	120.0°
C1	C	H12	H13	120.0°	120.0°
H1	C4	C5	H2	0.7°	0.0°
H3	C7	C8	H4	154.2°	180.0°
H3	C7	C12	H16	68.0°	60.0°
H3	C7	C12	H17	172.5°	180.0°
H3	C7	C8	H21	36.5°	60.0°
H4	C8	C9	H20	106.7°	60.1°
H4	C8	C9	H22	10.8°	179.9°
H5	C10	C11	H18	111.7°	59.9°
H5	C10	C11	H19	6.8°	60.0°
H5	C10	C9	H20	25.2°	60.0°
H5	C10	C9	H22	142.7°	60.1°
H6	C10	C11	H18	6.4°	60.0°
H6	C10	C11	H19	124.9°	179.9°
H6	C10	C9	H20	92.9°	60.0°
H6	C10	C9	H22	24.6°	180.0°
H7	C15	C16	H14	0.7°	0.2°
H7	C15	C14	H15	0.1°	0.2°
H8	C17	C16	H14	0.6°	0.2°
H10	C1	C	H11	63.9°	60.0°
H10	C1	C	H12	176.1°	60.1°
H10	C1	C	H13	56.1°	179.9°
H11	C	H12	H13	120.0°	120.0°
H16	C12	C11	H18	66.2°	60.0°
H16	C12	C11	H19	52.3°	60.0°
H17	C12	C11	H18	53.4°	60.0°
H17	C12	C11	H19	171.8°	180.0°
H20	C9	C8	H21	10.9°	60.0°
H21	C8	C9	H22	128.5°	60.0°

Release date:	2013-09-18
Definition date:	2013-09-05
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	4MJP