8QP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	doub	1.39Å	1.39Å	Aromatic
C4	C5	sing	1.37Å	1.38Å	Aromatic
C3	C2	sing	1.38Å	1.39Å	Aromatic
C	C1	sing	1.53Å	1.50Å
C5	C6	doub	1.40Å	1.39Å	Aromatic
C2	C1	sing	1.51Å	1.51Å
C2	C7	doub	1.39Å	1.40Å	Aromatic
C6	C7	sing	1.41Å	1.41Å	Aromatic
C6	C9	sing	1.46Å	1.43Å	Aromatic
C7	N	sing	1.38Å	1.38Å	Aromatic
C9	C10	sing	1.51Å	1.50Å
C9	C8	doub	1.35Å	1.37Å	Aromatic
N	C8	sing	1.36Å	1.38Å	Aromatic
C10	C11	sing	1.54Å	1.50Å
C8	C12	sing	1.51Å	1.51Å
C11	O	sing	1.43Å	1.44Å
O1	C16	doub	1.21Å	1.21Å
C12	O	sing	1.43Å	1.45Å
C12	C15	sing	1.53Å	1.54Å
C12	C13	sing	1.53Å	1.53Å
C15	C16	sing	1.51Å	1.51Å
C16	O2	sing	1.34Å	1.31Å
C13	C14	sing	1.53Å	1.52Å
C3	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C15	H4	sing	1.09Å	1.10Å
C15	H5	sing	1.09Å	1.10Å
O2	H6	sing	0.97Å	0.95Å
C13	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.09Å	1.10Å
N	H12	sing	0.97Å	1.00Å
C1	H13	sing	1.09Å	1.10Å
C1	H14	sing	1.09Å	1.10Å
C	H15	sing	1.09Å	1.10Å
C	H16	sing	1.09Å	1.10Å
C	H17	sing	1.09Å	1.10Å
C11	H18	sing	1.09Å	1.10Å
C11	H19	sing	1.09Å	1.10Å
C10	H20	sing	1.09Å	1.10Å
C10	H21	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C4	C5	120.4°	120.6°
C4	C3	C2	121.5°	120.6°
C4	C3	H1	119.3°	119.7°
C3	C4	H2	119.8°	119.7°
C4	C5	C6	119.7°	119.8°
C5	C4	H2	119.8°	119.7°
C4	C5	H3	120.1°	120.1°
C3	C2	C1	119.6°	120.1°
C3	C2	C7	118.1°	119.9°
C2	C3	H1	119.2°	119.7°
C	C1	C2	115.7°	109.5°
C	C1	H13	107.9°	109.5°
C	C1	H14	107.9°	109.5°
C1	C	H15	109.5°	109.5°
C1	C	H16	109.5°	109.5°
C1	C	H17	109.5°	109.5°
C5	C6	C7	119.8°	119.8°
C5	C6	C9	133.4°	134.5°
C6	C5	H3	120.2°	120.1°
C1	C2	C7	122.1°	120.1°
C2	C1	H13	107.9°	109.4°
C2	C1	H14	107.9°	109.5°
C2	C7	C6	120.5°	119.3°
C2	C7	N	131.7°	133.3°
C7	C6	C9	106.8°	105.7°
C6	C7	N	107.7°	107.3°
C6	C9	C10	130.0°	129.1°
C6	C9	C8	107.1°	107.5°
C7	N	C8	108.5°	109.9°
C7	N	H12	125.8°	125.1°
C10	C9	C8	122.8°	123.4°
C9	C10	C11	109.9°	107.7°
C9	C10	H20	109.4°	109.8°
C9	C10	H21	109.4°	109.8°
C9	C8	N	109.8°	109.5°
C9	C8	C12	122.3°	122.6°
N	C8	C12	127.8°	127.8°
C8	N	H12	125.8°	125.0°
C10	C11	O	117.5°	109.5°
C10	C11	H18	107.4°	109.5°
C10	C11	H19	107.4°	109.5°
C11	C10	H20	109.4°	109.8°
C11	C10	H21	109.3°	109.9°
C8	C12	O	111.0°	108.1°
C8	C12	C15	112.8°	109.7°
C8	C12	C13	111.2°	109.8°
C11	O	C12	124.3°	114.4°
O	C11	H18	107.4°	109.5°
O	C11	H19	107.4°	109.5°
O1	C16	C15	121.7°	120.0°
O1	C16	O2	122.7°	120.0°
O	C12	C15	100.8°	109.7°
O	C12	C13	109.1°	109.8°
C15	C12	C13	111.4°	109.8°
C12	C15	C16	117.7°	109.5°
C12	C15	H4	107.4°	109.5°
C12	C15	H5	107.4°	109.5°
C12	C13	C14	115.6°	109.5°
C12	C13	H7	107.9°	109.5°
C12	C13	H8	107.9°	109.5°
C15	C16	O2	115.6°	120.0°
C16	C15	H4	107.4°	109.4°
C16	C15	H5	107.4°	109.5°
C16	O2	H6	109.5°	117.0°
C14	C13	H7	107.9°	109.5°
C14	C13	H8	107.9°	109.4°
C13	C14	H9	109.5°	109.5°
C13	C14	H10	109.5°	109.5°
C13	C14	H11	109.4°	109.4°
H4	C15	H5	109.5°	109.5°
H7	C13	H8	109.5°	109.5°
H9	C14	H10	109.5°	109.5°
H9	C14	H11	109.5°	109.4°
H10	C14	H11	109.5°	109.5°
H13	C1	H14	109.4°	109.5°
H15	C	H16	109.5°	109.5°
H15	C	H17	109.4°	109.5°
H16	C	H17	109.5°	109.4°
H18	C11	H19	109.5°	109.4°
H20	C10	H21	109.5°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C4	C5	H2	180.0°	179.9°
C4	C3	C2	H1	180.0°	180.0°
C3	C4	C5	C6	0.8°	0.0°
C4	C3	C2	C1	173.3°	180.0°
C4	C3	C2	C7	1.7°	0.3°
C3	C4	C5	H3	179.2°	180.0°
C5	C4	C3	C2	0.2°	0.0°
C4	C5	C6	H3	180.0°	180.0°
C4	C5	C6	C7	0.3°	0.1°
C4	C5	C6	C9	178.3°	180.0°
C5	C4	C3	H1	179.8°	180.0°
C3	C2	C1	C	80.9°	94.7°
C3	C2	C1	C7	174.8°	179.7°
C3	C2	C7	C6	2.2°	0.4°
C3	C2	C7	N	179.6°	179.8°
C2	C3	C4	H2	179.8°	179.9°
C3	C2	C1	H13	158.1°	25.3°
C3	C2	C1	H14	40.0°	145.3°
C	C1	C2	H13	120.9°	119.9°
C	C1	C2	H14	120.9°	120.0°
C	C1	C2	C7	104.3°	85.0°
C	C1	H13	H14	117.1°	120.0°
C1	C	H15	H16	120.0°	120.0°
C1	C	H15	H17	120.0°	120.0°
C1	C	H16	H17	120.0°	120.0°
C5	C6	C7	C2	1.2°	0.4°
C5	C6	C7	C9	178.5°	179.9°
C5	C6	C7	N	179.2°	179.8°
C5	C6	C9	C10	0.4°	0.2°
C5	C6	C9	C8	178.4°	179.9°
C6	C5	C4	H2	179.2°	180.0°
C1	C2	C7	C6	172.7°	179.8°
C1	C2	C7	N	4.8°	0.0°
C1	C2	C3	H1	6.7°	0.0°
C2	C1	H13	H14	117.2°	120.0°
C2	C1	C	H15	180.0°	60.1°
C2	C1	C	H16	60.0°	60.0°
C2	C1	C	H17	60.0°	180.0°
C2	C7	C6	N	178.0°	179.8°
C2	C7	C6	C9	177.3°	179.8°
C2	C7	N	C8	176.6°	179.4°
C7	C2	C3	H1	178.4°	179.7°
C2	C7	N	H12	3.3°	0.0°
C7	C2	C1	H13	16.6°	155.0°
C7	C2	C1	H14	134.8°	35.0°
C7	C6	C9	C10	178.6°	179.6°
C7	C6	C9	C8	0.1°	0.3°
C6	C7	N	C8	1.0°	0.4°
C7	C6	C5	H3	179.7°	179.9°
C6	C7	N	H12	179.0°	179.8°
C9	C6	C7	N	0.7°	0.1°
C6	C9	C10	C8	178.6°	179.9°
C6	C9	C8	N	0.5°	0.6°
C6	C9	C10	C11	153.8°	164.3°
C6	C9	C8	C12	177.3°	180.0°
C9	C6	C5	H3	1.7°	0.1°
C6	C9	C10	H20	86.1°	76.1°
C6	C9	C10	H21	33.8°	44.7°
C7	N	C8	C9	1.0°	0.6°
C7	N	C8	H12	180.0°	179.3°
C7	N	C8	C12	176.7°	180.0°
C10	C9	C8	N	179.4°	179.4°
C9	C10	C11	H20	120.1°	119.5°
C9	C10	C11	H21	120.1°	119.6°
C10	C9	C8	C12	1.5°	0.1°
C9	C10	C11	O	37.1°	47.4°
C9	C10	C11	H18	158.2°	72.7°
C9	C10	C11	H19	84.1°	167.4°
C9	C10	H20	H21	119.8°	120.8°
C9	C8	N	C12	177.7°	179.4°
C8	C9	C10	C11	27.6°	15.6°
C9	C8	C12	O	21.0°	15.4°
C9	C8	C12	C15	133.2°	104.2°
C9	C8	C12	C13	100.8°	135.1°
C9	C8	N	H12	179.0°	180.0°
C8	C9	C10	H20	92.4°	104.0°
C8	C9	C10	H21	147.7°	135.2°
N	C8	C12	O	161.6°	165.2°
N	C8	C12	C15	49.3°	75.1°
N	C8	C12	C13	76.7°	45.6°
C10	C11	O	H18	121.1°	120.0°
C10	C11	O	H19	121.1°	120.1°
C10	C11	O	C12	19.8°	70.6°
C10	C11	H18	H19	116.3°	120.0°
C11	C10	H20	H21	119.8°	120.9°
C8	C12	O	C11	10.0°	51.0°
C8	C12	O	C15	119.7°	119.6°
C8	C12	O	C13	123.0°	119.7°
C8	C12	C15	C13	125.9°	120.7°
C8	C12	C15	C16	79.2°	67.3°
C8	C12	C13	C14	73.7°	176.0°
C8	C12	C15	H4	159.6°	52.7°
C8	C12	C15	H5	42.0°	172.7°
C8	C12	C13	H7	165.3°	55.9°
C8	C12	C13	H8	47.1°	64.2°
C12	C8	N	H12	3.3°	0.6°
C11	O	C12	C15	129.6°	68.6°
C11	O	C12	C13	113.0°	170.7°
O	C11	H18	H19	116.4°	119.9°
O	C11	C10	H20	83.0°	72.2°
O	C11	C10	H21	157.1°	166.9°
O1	C16	C15	C12	109.9°	4.6°
O1	C16	C15	O2	177.6°	179.9°
O1	C16	C15	H4	128.9°	115.4°
O1	C16	C15	H5	11.2°	124.6°
O1	C16	O2	H6	0.0°	0.0°
O	C12	C15	C13	115.7°	120.7°
O	C12	C15	C16	162.4°	174.1°
O	C12	C13	C14	49.1°	65.4°
O	C12	C15	H4	41.2°	65.9°
O	C12	C15	H5	76.5°	54.1°
O	C12	C13	H7	71.8°	174.5°
O	C12	C13	H8	170.0°	54.5°
C12	O	C11	H18	140.9°	49.4°
C12	O	C11	H19	101.4°	169.3°
C12	C15	C16	H4	121.2°	120.0°
C12	C15	C16	H5	121.2°	120.0°
C12	C15	C16	O2	72.4°	175.3°
C15	C12	C13	C14	159.5°	55.3°
C12	C15	H4	H5	116.3°	120.0°
C15	C12	C13	H7	38.6°	64.8°
C15	C12	C13	H8	79.6°	175.1°
C13	C12	C15	C16	46.7°	53.4°
C12	C13	C14	H7	120.9°	120.0°
C12	C13	C14	H8	120.9°	120.0°
C13	C12	C15	H4	74.5°	173.4°
C13	C12	C15	H5	167.9°	66.6°
C12	C13	H7	H8	117.2°	120.0°
C12	C13	C14	H9	180.0°	175.1°
C12	C13	C14	H10	60.0°	64.8°
C12	C13	C14	H11	60.0°	55.2°
C16	C15	H4	H5	116.3°	120.0°
C15	C16	O2	H6	177.6°	179.9°
O2	C16	C15	H4	48.8°	64.7°
O2	C16	C15	H5	166.4°	55.3°
C14	C13	H7	H8	117.2°	119.9°
C13	C14	H9	H10	120.0°	120.1°
C13	C14	H9	H11	120.0°	119.9°
C13	C14	H10	H11	120.0°	119.9°
H1	C3	C4	H2	0.2°	0.1°
H2	C4	C5	H3	0.8°	0.0°
H7	C13	C14	H9	59.1°	55.1°
H7	C13	C14	H10	179.1°	175.2°
H7	C13	C14	H11	60.9°	64.8°
H8	C13	C14	H9	59.1°	64.9°
H8	C13	C14	H10	60.9°	55.2°
H8	C13	C14	H11	179.1°	175.2°
H9	C14	H10	H11	120.0°	120.0°
H13	C1	C	H15	59.1°	180.0°
H13	C1	C	H16	60.9°	59.9°
H13	C1	C	H17	179.1°	60.0°
H14	C1	C	H15	59.0°	60.0°
H14	C1	C	H16	179.1°	180.0°
H14	C1	C	H17	60.9°	60.0°
H15	C	H16	H17	120.0°	120.0°
H18	C11	C10	H20	38.1°	167.8°
H18	C11	C10	H21	81.7°	46.9°
H19	C11	C10	H20	155.9°	47.9°
H19	C11	C10	H21	36.0°	73.0°

Release date:	2017-03-15
Definition date:	2017-03-02
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	5V0V