D8A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	C4	sing	1.53Å	1.53Å
C5	C	sing	1.53Å	1.52Å
C4	C3	sing	1.53Å	1.53Å
C	C1	sing	1.53Å	1.52Å
C7	C6	sing	1.55Å	1.53Å
C7	C8	sing	1.55Å	1.53Å
C3	C6	sing	1.53Å	1.55Å
C3	C2	sing	1.53Å	1.53Å
C6	C10	sing	1.54Å	1.53Å
C1	C2	sing	1.53Å	1.53Å
C8	O1	sing	1.43Å	1.43Å
C8	C9	sing	1.54Å	1.53Å
C9	C10	sing	1.54Å	1.50Å
C9	O	sing	1.43Å	1.42Å
C10	N	sing	1.47Å	1.50Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
O1	H11	sing	0.97Å	0.95Å
O	H12	sing	0.97Å	0.95Å
N	H13	sing	1.01Å	1.00Å
N	H14	sing	1.01Å	1.00Å
C3	H16	sing	1.09Å	1.10Å
C2	H17	sing	1.09Å	1.10Å
C2	H18	sing	1.09Å	1.10Å
C1	H19	sing	1.09Å	1.10Å
C1	H20	sing	1.09Å	1.10Å
C	H21	sing	1.09Å	1.10Å
C	H22	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C5	C	111.3°	109.5°
C5	C4	C3	112.0°	109.4°
C5	C4	H1	108.8°	109.5°
C5	C4	H2	108.8°	109.4°
C4	C5	H3	109.0°	109.5°
C4	C5	H4	109.0°	109.4°
C5	C	C1	110.9°	109.5°
C	C5	H3	109.0°	109.5°
C	C5	H4	109.0°	109.5°
C5	C	H21	109.1°	109.5°
C5	C	H22	109.1°	109.5°
C4	C3	C6	113.0°	109.4°
C4	C3	C2	109.4°	109.5°
C3	C4	H1	108.9°	109.5°
C3	C4	H2	108.9°	109.5°
C4	C3	H16	106.9°	109.5°
C	C1	C2	111.5°	109.5°
C	C1	H19	109.0°	109.5°
C	C1	H20	109.0°	109.5°
C1	C	H21	109.1°	109.4°
C1	C	H22	109.1°	109.4°
C6	C7	C8	107.5°	102.7°
C7	C6	C3	113.9°	110.6°
C7	C6	C10	101.1°	104.2°
C7	C6	H5	108.5°	110.5°
C6	C7	H6	110.0°	110.7°
C6	C7	H7	110.0°	110.8°
C7	C8	O1	110.1°	110.5°
C7	C8	C9	104.3°	104.2°
C8	C7	H6	109.9°	110.7°
C8	C7	H7	110.0°	110.8°
C7	C8	H8	110.1°	110.5°
C6	C3	C2	113.7°	109.5°
C3	C6	C10	116.2°	110.5°
C3	C6	H5	108.3°	110.4°
C6	C3	H16	106.6°	109.4°
C3	C2	C1	112.0°	109.5°
C2	C3	H16	106.8°	109.5°
C3	C2	H17	108.8°	109.5°
C3	C2	H18	108.8°	109.5°
C6	C10	C9	102.3°	106.6°
C6	C10	N	113.1°	110.0°
C10	C6	H5	108.5°	110.5°
C6	C10	H10	109.5°	110.0°
C1	C2	H17	108.8°	109.5°
C1	C2	H18	108.9°	109.4°
C2	C1	H19	109.0°	109.4°
C2	C1	H20	109.0°	109.5°
O1	C8	C9	110.4°	110.5°
O1	C8	H8	111.6°	110.4°
C8	O1	H11	109.5°	114.0°
C8	C9	C10	103.3°	106.6°
C8	C9	O	112.1°	110.1°
C9	C8	H8	110.1°	110.6°
C8	C9	H9	109.6°	110.0°
C10	C9	O	110.5°	110.0°
C9	C10	N	112.0°	110.1°
C10	C9	H9	109.9°	110.0°
C9	C10	H10	109.8°	110.0°
O	C9	H9	111.1°	110.0°
C9	O	H12	109.5°	114.0°
N	C10	H10	109.9°	110.1°
C10	N	H13	109.5°	111.0°
C10	N	H14	109.5°	111.0°
H1	C4	H2	109.4°	109.5°
H3	C5	H4	109.5°	109.5°
H6	C7	H7	109.5°	110.8°
H13	N	H14	109.5°	111.0°
H17	C2	H18	109.5°	109.5°
H19	C1	H20	109.5°	109.5°
H21	C	H22	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C5	C	H3	120.3°	120.0°
C4	C5	C	H4	120.3°	120.0°
C5	C4	C3	H1	120.4°	120.0°
C5	C4	C3	H2	120.4°	120.0°
C4	C5	C	C1	55.1°	60.0°
C5	C4	C3	C6	176.5°	180.0°
C5	C4	C3	C2	55.7°	60.0°
C5	C4	H1	H2	118.8°	120.0°
C4	C5	H3	H4	119.1°	119.9°
C5	C4	C3	H16	59.6°	60.1°
C4	C5	C	H21	65.1°	60.0°
C4	C5	C	H22	175.4°	180.0°
C	C5	C4	C3	56.4°	60.0°
C5	C	C1	H21	120.2°	120.0°
C5	C	C1	H22	120.2°	120.0°
C5	C	C1	C2	54.9°	60.0°
C	C5	C4	H1	176.8°	180.0°
C	C5	C4	H2	64.0°	60.0°
C	C5	H3	H4	119.2°	120.0°
C5	C	C1	H19	175.2°	60.0°
C5	C	C1	H20	65.4°	180.0°
C5	C	H21	H22	119.3°	120.1°
C4	C3	C6	C7	74.4°	174.8°
C4	C3	C6	C2	125.4°	120.0°
C4	C3	C6	H16	117.1°	119.9°
C4	C3	C2	H16	115.3°	120.0°
C4	C3	C6	C10	168.7°	60.0°
C4	C3	C2	C1	55.4°	60.0°
C3	C4	H1	H2	118.9°	120.1°
C3	C4	C5	H3	176.7°	180.0°
C3	C4	C5	H4	63.9°	60.1°
C4	C3	C6	H5	46.4°	62.6°
C4	C3	C2	H17	175.7°	180.0°
C4	C3	C2	H18	65.0°	60.0°
C	C1	C2	C3	55.9°	60.0°
C	C1	C2	H19	120.3°	120.0°
C	C1	C2	H20	120.3°	120.0°
C1	C	C5	H3	175.4°	180.0°
C1	C	C5	H4	65.2°	60.0°
C	C1	C2	H17	176.2°	180.0°
C	C1	C2	H18	64.5°	60.0°
C	C1	H19	H20	119.1°	120.0°
C1	C	H21	H22	119.3°	119.9°
C6	C7	C8	H6	119.7°	118.3°
C6	C7	C8	H7	119.7°	118.3°
C7	C6	C3	C10	116.9°	114.8°
C7	C6	C3	H5	120.8°	122.6°
C7	C6	C3	C2	51.1°	65.2°
C7	C6	C10	H5	114.0°	118.7°
C6	C7	C8	O1	117.1°	156.7°
C6	C7	C8	C9	1.3°	38.0°
C7	C6	C10	C9	43.4°	23.6°
C7	C6	C10	N	164.1°	142.9°
C6	C7	H6	H7	121.0°	123.4°
C6	C7	C8	H8	119.5°	80.9°
C7	C6	C10	H10	73.0°	95.7°
C7	C6	C3	H16	168.5°	54.9°
C8	C7	C6	C3	151.1°	156.7°
C8	C7	C6	C10	25.7°	38.0°
C7	C8	O1	C9	114.6°	114.8°
C7	C8	O1	H8	122.6°	122.6°
C7	C8	C9	H8	118.2°	118.8°
C7	C8	C9	C10	28.6°	23.7°
C7	C8	C9	O	147.6°	95.7°
C8	C7	C6	H5	88.3°	80.7°
C8	C7	H6	H7	120.9°	123.4°
C7	C8	C9	H9	88.5°	142.9°
C7	C8	O1	H11	180.0°	180.0°
C6	C3	C2	H16	117.4°	120.0°
C3	C6	C10	H5	122.2°	122.5°
C6	C3	C2	C1	177.3°	NaN°
C3	C6	C10	C9	167.2°	142.4°
C3	C6	C10	N	72.1°	98.3°
C6	C3	C4	H1	56.2°	60.0°
C6	C3	C4	H2	63.1°	60.0°
C3	C6	C7	H6	89.2°	85.1°
C3	C6	C7	H7	31.4°	38.4°
C3	C6	C10	H10	50.8°	23.1°
C6	C3	C2	H17	56.9°	60.0°
C6	C3	C2	H18	62.3°	60.0°
C2	C3	C6	C10	65.9°	180.0°
C3	C2	C1	H17	120.4°	120.0°
C3	C2	C1	H18	120.4°	120.0°
C2	C3	C4	H1	176.1°	180.0°
C2	C3	C4	H2	64.7°	59.9°
C2	C3	C6	H5	171.8°	57.5°
C3	C2	H17	H18	118.8°	120.1°
C3	C2	C1	H19	176.2°	60.0°
C3	C2	C1	H20	64.4°	180.0°
C6	C10	C9	C8	45.4°	0.0°
C6	C10	C9	N	121.4°	119.3°
C6	C10	C9	H10	116.2°	119.3°
C6	C10	C9	O	165.4°	119.3°
C6	C10	N	H10	122.7°	121.4°
C10	C6	C7	H6	145.3°	156.2°
C10	C6	C7	H7	94.0°	80.4°
C6	C10	C9	H9	71.6°	119.3°
C6	C10	N	H13	180.0°	180.0°
C6	C10	N	H14	60.0°	56.0°
C10	C6	C3	H16	51.6°	60.0°
C1	C2	C3	H16	59.9°	60.0°
C1	C2	H17	H18	118.9°	119.9°
C2	C1	H19	H20	119.1°	120.0°
C2	C1	C	H21	65.3°	60.0°
C2	C1	C	H22	175.1°	180.0°
O1	C8	C9	H8	123.6°	122.5°
O1	C8	C9	C10	89.6°	142.3°
O1	C8	C9	O	29.4°	23.0°
O1	C8	C7	H6	123.2°	85.1°
O1	C8	C7	H7	2.6°	38.3°
O1	C8	C9	H9	153.2°	98.4°
C8	C9	C10	O	120.1°	119.4°
C8	C9	C10	H9	116.9°	119.3°
C8	C9	O	H9	123.1°	121.4°
C8	C9	C10	N	166.8°	119.2°
C9	C8	C7	H6	118.3°	156.3°
C9	C8	C7	H7	121.1°	80.3°
C8	C9	C10	H10	70.8°	119.3°
C9	C8	O1	H11	65.3°	65.2°
C8	C9	O	H12	180.0°	61.4°
C10	C9	O	H9	122.3°	121.4°
C9	C10	N	H10	122.4°	121.5°
C9	C10	C6	H5	70.5°	95.1°
C10	C9	C8	H8	146.8°	95.1°
C10	C9	O	H12	65.4°	178.6°
C9	C10	N	H13	65.1°	62.9°
C9	C10	N	H14	174.9°	173.2°
O	C9	C10	N	73.2°	121.4°
O	C9	C8	H8	94.2°	145.5°
O	C9	C10	H10	49.3°	0.1°
N	C10	C6	H5	50.1°	24.2°
N	C10	C9	H9	49.8°	0.0°
C10	N	H13	H14	120.0°	124.0°
H1	C4	C5	H3	62.9°	60.0°
H1	C4	C5	H4	56.5°	59.9°
H1	C4	C3	H16	60.8°	59.9°
H2	C4	C5	H3	56.3°	60.0°
H2	C4	C5	H4	175.7°	179.9°
H2	C4	C3	H16	180.0°	180.0°
H3	C5	C	H21	55.2°	60.0°
H3	C5	C	H22	64.4°	60.0°
H4	C5	C	H21	174.6°	180.0°
H4	C5	C	H22	55.1°	60.0°
H5	C6	C7	H6	31.4°	37.5°
H5	C6	C7	H7	152.0°	160.9°
H5	C6	C10	H10	173.1°	145.6°
H5	C6	C3	H16	70.7°	177.5°
H6	C7	C8	H8	0.2°	37.4°
H7	C7	C8	H8	120.8°	160.8°
H8	C8	C9	H9	29.7°	24.1°
H8	C8	O1	H11	57.4°	57.5°
H9	C9	C10	H10	172.3°	121.5°
H9	C9	O	H12	57.0°	60.0°
H10	C10	N	H13	57.3°	58.6°
H10	C10	N	H14	62.7°	65.3°
H16	C3	C2	H17	60.4°	60.0°
H16	C3	C2	H18	179.7°	NaN°
H17	C2	C1	H19	63.5°	60.0°
H17	C2	C1	H20	55.9°	60.0°
H18	C2	C1	H19	55.8°	179.9°
H18	C2	C1	H20	175.2°	59.9°
H19	C1	C	H21	55.0°	180.0°
H19	C1	C	H22	64.5°	60.0°
H20	C1	C	H21	174.4°	60.0°
H20	C1	C	H22	54.8°	60.0°

Release date:	2020-04-22
Definition date:	2017-10-23
Last modified:	2020-04-17
Release status:	REL
Processing site:	RCSB
Derived from:	5QBD