D8P

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C10	sing	1.43Å	1.42Å
C10	C6	sing	1.54Å	1.52Å
C6	C7	sing	1.51Å	1.54Å
C6	N1	sing	1.42Å	1.48Å
C7	C8	sing	1.54Å	1.54Å
N1	C11	sing	1.47Å	1.45Å
N1	C5	sing	1.39Å	1.46Å
C8	N2	sing	1.51Å	1.55Å
N	C5	doub	1.32Å	1.35Å	Aromatic
N	C1	sing	1.32Å	1.34Å	Aromatic
C	C1	sing	1.51Å	1.50Å
C5	C4	sing	1.40Å	1.41Å	Aromatic
C1	C2	doub	1.38Å	1.39Å	Aromatic
N2	C9	sing	1.48Å	1.50Å
C4	C9	sing	1.50Å	1.51Å
C4	C3	doub	1.38Å	1.39Å	Aromatic
C2	C3	sing	1.39Å	1.38Å	Aromatic
C6	H1	sing	1.10Å	1.10Å
C7	H2	sing	1.09Å	1.10Å
C7	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.08Å	1.10Å
N2	H6	sing	1.01Å	1.00Å
C9	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.08Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
O	H15	sing	0.97Å	0.95Å
C	H16	sing	1.09Å	1.10Å
C	H17	sing	1.09Å	1.10Å
C	H18	sing	1.09Å	1.10Å
C3	H19	sing	1.08Å	1.08Å
C2	H20	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C10	C6	111.0°	109.5°
O	C10	H10	109.1°	109.5°
O	C10	H11	109.1°	109.4°
C10	O	H15	109.5°	114.0°
C10	C6	C7	108.3°	107.2°
C10	C6	N1	116.7°	107.5°
C10	C6	H1	107.2°	105.8°
C6	C10	H10	109.1°	109.5°
C6	C10	H11	109.1°	109.5°
C7	C6	N1	109.7°	121.8°
C6	C7	C8	123.1°	110.5°
C7	C6	H1	106.9°	106.5°
C6	C7	H2	106.0°	109.8°
C6	C7	H3	106.0°	109.3°
C6	N1	C11	117.8°	111.7°
C6	N1	C5	115.8°	116.8°
N1	C6	H1	107.6°	106.9°
C7	C8	N2	112.4°	107.3°
C8	C7	H2	106.0°	109.4°
C8	C7	H3	106.0°	108.8°
C7	C8	H4	108.7°	109.7°
C7	C8	H5	108.7°	110.2°
C11	N1	C5	112.3°	111.1°
N1	C11	H12	109.5°	109.5°
N1	C11	H13	109.4°	109.5°
N1	C11	H14	109.4°	109.5°
N1	C5	N	120.3°	123.6°
N1	C5	C4	116.0°	115.6°
C8	N2	C9	114.5°	108.3°
N2	C8	H4	108.8°	109.1°
N2	C8	H5	108.7°	109.8°
C8	N2	H6	108.2°	110.2°
C5	N	C1	118.3°	121.2°
N	C5	C4	123.8°	120.8°
N	C1	C	116.7°	119.5°
N	C1	C2	121.8°	121.0°
C	C1	C2	121.6°	119.5°
C1	C	H16	109.5°	109.5°
C1	C	H17	109.5°	109.5°
C1	C	H18	109.5°	109.4°
C5	C4	C9	126.8°	118.3°
C5	C4	C3	116.2°	119.3°
C1	C2	C3	119.5°	119.5°
C1	C2	H20	120.2°	120.2°
N2	C9	C4	112.7°	107.8°
C9	N2	H6	108.2°	110.6°
N2	C9	H8	108.6°	109.1°
N2	C9	H9	108.6°	110.3°
C9	C4	C3	117.0°	122.4°
C4	C9	H8	108.7°	109.4°
C4	C9	H9	108.7°	110.5°
C4	C3	C2	120.5°	118.1°
C4	C3	H19	119.8°	121.1°
C2	C3	H19	119.8°	120.8°
C3	C2	H20	120.3°	120.3°
H2	C7	H3	109.5°	109.0°
H4	C8	H5	109.4°	110.6°
H8	C9	H9	109.5°	109.8°
H10	C10	H11	109.5°	109.5°
H12	C11	H13	109.5°	109.4°
H12	C11	H14	109.5°	109.5°
H13	C11	H14	109.5°	109.5°
H16	C	H17	109.4°	109.5°
H16	C	H18	109.5°	109.4°
H17	C	H18	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C10	C6	H10	120.2°	120.0°
O	C10	C6	H11	120.3°	120.0°
O	C10	C6	C7	53.4°	54.3°
O	C10	C6	N1	177.7°	173.1°
O	C10	C6	H1	61.7°	59.1°
O	C10	H10	H11	119.3°	119.9°
C10	C6	C7	N1	128.4°	124.3°
C10	C6	C7	H1	115.2°	112.9°
C10	C6	N1	H1	120.4°	113.3°
C10	C6	C7	C8	162.1°	169.8°
C10	C6	N1	C11	88.3°	31.9°
C10	C6	N1	C5	48.9°	161.4°
C10	C6	C7	H2	40.2°	69.4°
C10	C6	C7	H3	76.0°	50.0°
C6	C10	H10	H11	119.3°	120.1°
C6	C10	O	H15	180.0°	180.0°
C7	C6	N1	H1	116.0°	122.5°
C6	C7	C8	H2	121.9°	121.0°
C6	C7	C8	H3	121.9°	120.0°
C7	C6	N1	C11	148.1°	156.1°
C7	C6	N1	C5	74.7°	74.4°
C6	C7	C8	N2	25.5°	104.5°
C6	C7	H2	H3	113.9°	119.7°
C6	C7	C8	H4	146.0°	137.0°
C6	C7	C8	H5	94.9°	15.0°
C7	C6	C10	H10	173.6°	65.7°
C7	C6	C10	H11	66.9°	174.2°
N1	C6	C7	C8	33.7°	65.9°
C6	N1	C11	C5	138.6°	132.4°
C6	N1	C5	N	80.8°	98.4°
C6	N1	C5	C4	100.2°	82.2°
N1	C6	C7	H2	88.2°	54.9°
N1	C6	C7	H3	155.6°	174.4°
N1	C6	C10	H10	62.0°	66.9°
N1	C6	C10	H11	57.5°	53.1°
C6	N1	C11	H12	180.0°	67.0°
C6	N1	C11	H13	60.0°	173.1°
C6	N1	C11	H14	60.0°	53.1°
C7	C8	N2	H4	120.5°	118.8°
C7	C8	N2	H5	120.5°	119.8°
C7	C8	N2	C9	85.4°	57.6°
C8	C7	C6	H1	82.7°	56.9°
C8	C7	H2	H3	113.9°	118.9°
C7	C8	H4	H5	118.7°	121.8°
C7	C8	N2	H6	153.9°	63.5°
C11	N1	C5	N	58.6°	31.4°
C11	N1	C5	C4	120.3°	148.1°
C11	N1	C6	H1	32.1°	81.4°
N1	C11	H12	H13	120.0°	120.0°
N1	C11	H12	H14	120.0°	120.0°
N1	C11	H13	H14	119.9°	120.0°
N1	C5	N	C4	178.8°	179.4°
N1	C5	N	C1	179.1°	178.8°
N1	C5	C4	C9	2.4°	1.4°
N1	C5	C4	C3	180.0°	178.4°
C5	N1	C6	H1	169.3°	48.1°
C5	N1	C11	H12	41.4°	160.6°
C5	N1	C11	H13	161.5°	40.7°
C5	N1	C11	H14	78.6°	79.4°
C8	N2	C9	H6	120.8°	120.8°
C8	N2	C9	C4	84.4°	57.5°
N2	C8	C7	H2	96.3°	16.5°
N2	C8	C7	H3	147.4°	135.5°
N2	C8	H4	H5	118.7°	120.8°
C8	N2	C9	H8	36.1°	176.1°
C8	N2	C9	H9	155.1°	63.2°
C5	N	C1	C	178.8°	179.9°
C5	N	C1	C2	0.7°	0.1°
N	C5	C4	C9	176.5°	179.2°
N	C5	C4	C3	1.2°	1.0°
N	C1	C	C2	179.5°	179.9°
C1	N	C5	C4	0.3°	0.6°
N	C1	C2	C3	0.7°	0.0°
N	C1	C	H16	0.0°	90.0°
N	C1	C	H17	120.0°	150.0°
N	C1	C	H18	120.0°	30.0°
N	C1	C2	H20	179.3°	179.7°
C	C1	C2	C3	178.7°	180.0°
C1	C	H16	H17	120.0°	120.1°
C1	C	H16	H18	120.0°	119.9°
C1	C	H17	H18	120.0°	119.9°
C	C1	C2	H20	1.2°	0.3°
C5	C4	C9	N2	9.6°	104.7°
C5	C4	C9	C3	177.6°	179.8°
C5	C4	C3	C2	1.0°	0.9°
C5	C4	C9	H8	130.1°	136.8°
C5	C4	C9	H9	110.8°	15.9°
C5	C4	C3	H19	178.9°	179.4°
C1	C2	C3	C4	0.2°	0.4°
C1	C2	C3	H20	180.0°	179.7°
C2	C1	C	H16	179.5°	90.0°
C2	C1	C	H17	60.5°	30.1°
C2	C1	C	H18	59.5°	150.1°
C1	C2	C3	H19	179.8°	179.9°
N2	C9	C4	H8	120.5°	118.5°
N2	C9	C4	H9	120.5°	120.6°
N2	C9	C4	C3	172.7°	75.5°
C9	N2	C8	H4	35.1°	176.4°
C9	N2	C8	H5	154.2°	62.2°
N2	C9	H8	H9	118.5°	121.0°
C9	C4	C3	C2	176.9°	179.3°
C4	C9	N2	H6	154.8°	178.3°
C4	C9	H8	H9	118.5°	121.4°
C9	C4	C3	H19	3.2°	0.4°
C4	C3	C2	H19	180.0°	179.7°
C3	C4	C9	H8	52.2°	43.0°
C3	C4	C9	H9	66.8°	163.9°
C4	C3	C2	H20	179.8°	179.9°
H1	C6	C7	H2	155.4°	177.7°
H1	C6	C7	H3	39.1°	62.9°
H1	C6	C10	H10	58.6°	179.0°
H1	C6	C10	H11	178.1°	60.9°
H2	C7	C8	H4	24.1°	101.9°
H2	C7	C8	H5	143.2°	136.0°
H3	C7	C8	H4	92.1°	17.0°
H3	C7	C8	H5	27.0°	105.0°
H4	C8	N2	H6	85.7°	55.3°
H5	C8	N2	H6	33.4°	176.7°
H6	N2	C9	H8	84.7°	63.0°
H6	N2	C9	H9	34.3°	57.6°
H10	C10	O	H15	59.7°	60.0°
H11	C10	O	H15	59.8°	60.0°
H12	C11	H13	H14	120.0°	120.0°
H16	C	H17	H18	120.0°	120.0°
H19	C3	C2	H20	0.2°	0.2°

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