U9W

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL1	C9	sing	1.74Å	1.74Å
C10	C11	doub	1.38Å	1.38Å	Aromatic
C10	C9	sing	1.38Å	1.37Å	Aromatic
C11	C6	sing	1.39Å	1.39Å	Aromatic
C9	C8	doub	1.38Å	1.37Å	Aromatic
O1	C5	doub	1.22Å	1.24Å
C6	N2	sing	1.40Å	1.41Å
C6	C7	doub	1.39Å	1.38Å	Aromatic
C5	N2	sing	1.35Å	1.36Å
C5	N1	sing	1.35Å	1.35Å
C8	C7	sing	1.38Å	1.38Å	Aromatic
C12	N1	sing	1.47Å	1.47Å
C12	C13	sing	1.53Å	1.50Å
N1	C4	sing	1.47Å	1.47Å
C13	C2	sing	1.53Å	1.50Å
C4	C3	sing	1.53Å	1.51Å
C2	C3	sing	1.53Å	1.51Å
C2	C1	sing	1.53Å	1.52Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C11	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C10	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.09Å	1.10Å
C12	H8	sing	1.09Å	1.10Å
C13	H9	sing	1.09Å	1.10Å
C13	H10	sing	1.09Å	1.10Å
N2	H11	sing	0.97Å	1.00Å
C3	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å
C1	H14	sing	1.09Å	1.10Å
C1	H15	sing	1.09Å	1.10Å
C1	H16	sing	1.09Å	1.10Å
C2	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	C9	C10	118.2°	120.0°
CL1	C9	C8	121.0°	120.0°
C11	C10	C9	120.0°	120.1°
C10	C11	C6	120.1°	120.0°
C10	C11	H3	120.0°	120.0°
C11	C10	H6	120.0°	120.0°
C10	C9	C8	120.8°	120.1°
C9	C10	H6	120.0°	120.0°
C11	C6	N2	124.0°	120.1°
C11	C6	C7	118.8°	119.9°
C6	C11	H3	119.9°	120.0°
C9	C8	C7	119.4°	120.1°
C9	C8	H5	120.3°	119.9°
O1	C5	N2	120.7°	120.0°
O1	C5	N1	121.7°	120.0°
N2	C6	C7	117.2°	120.0°
C6	N2	C5	126.2°	120.0°
C6	N2	H11	116.9°	120.0°
C6	C7	C8	120.9°	119.9°
C6	C7	H4	119.5°	120.0°
N2	C5	N1	117.6°	120.0°
C5	N2	H11	116.9°	120.0°
C5	N1	C12	117.6°	120.6°
C5	N1	C4	123.7°	120.6°
C8	C7	H4	119.5°	120.0°
C7	C8	H5	120.3°	120.0°
N1	C12	C13	112.6°	108.8°
C12	N1	C4	117.3°	118.8°
N1	C12	H7	108.7°	109.6°
N1	C12	H8	108.7°	109.6°
C12	C13	C2	108.7°	109.3°
C13	C12	H7	108.7°	109.6°
C13	C12	H8	108.7°	109.6°
C12	C13	H9	109.7°	109.5°
C12	C13	H10	109.7°	109.5°
N1	C4	C3	112.8°	108.8°
N1	C4	H1	108.6°	109.6°
N1	C4	H2	108.6°	109.7°
C13	C2	C3	105.2°	109.6°
C13	C2	C1	113.9°	109.5°
C2	C13	H9	109.6°	109.5°
C2	C13	H10	109.7°	109.5°
C13	C2	H17	106.8°	109.5°
C4	C3	C2	108.4°	109.3°
C3	C4	H1	108.6°	109.6°
C3	C4	H2	108.6°	109.6°
C4	C3	H12	109.7°	109.5°
C4	C3	H13	109.7°	109.5°
C3	C2	C1	117.0°	109.4°
C2	C3	H12	109.8°	109.5°
C2	C3	H13	109.7°	109.5°
C3	C2	H17	106.7°	109.4°
C2	C1	H14	109.5°	109.4°
C2	C1	H15	109.5°	109.4°
C2	C1	H16	109.4°	109.4°
C1	C2	H17	106.6°	109.4°
H1	C4	H2	109.5°	109.6°
H7	C12	H8	109.5°	109.7°
H9	C13	H10	109.5°	109.5°
H12	C3	H13	109.5°	109.5°
H14	C1	H15	109.5°	109.5°
H14	C1	H16	109.5°	109.5°
H15	C1	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	C9	C10	C11	178.8°	180.0°
CL1	C9	C10	C8	179.1°	179.7°
CL1	C9	C8	C7	178.0°	180.0°
CL1	C9	C8	H5	2.0°	0.0°
CL1	C9	C10	H6	1.2°	0.1°
C11	C10	C9	H6	180.0°	180.0°
C10	C11	C6	H3	180.0°	179.9°
C11	C10	C9	C8	0.3°	0.3°
C10	C11	C6	N2	176.7°	180.0°
C10	C11	C6	C7	0.0°	0.2°
C9	C10	C11	C6	0.2°	0.0°
C10	C9	C8	C7	1.1°	0.3°
C9	C10	C11	H3	179.8°	179.9°
C10	C9	C8	H5	178.9°	179.7°
C11	C6	N2	C7	176.8°	179.8°
C11	C6	N2	C5	1.2°	33.6°
C11	C6	C7	C8	0.8°	0.2°
C11	C6	C7	H4	179.2°	179.7°
C6	C11	C10	H6	179.8°	180.0°
C11	C6	N2	H11	178.8°	146.3°
C9	C8	C7	C6	1.4°	0.0°
C9	C8	C7	H5	180.0°	180.0°
C9	C8	C7	H4	178.6°	180.0°
C8	C9	C10	H6	179.6°	179.8°
O1	C5	N2	C6	23.6°	7.1°
O1	C5	N2	N1	178.6°	179.9°
O1	C5	N1	C12	14.0°	8.8°
O1	C5	N1	C4	179.9°	171.2°
O1	C5	N2	H11	156.4°	172.8°
C6	N2	C5	H11	180.0°	179.9°
C6	N2	C5	N1	157.9°	172.8°
N2	C6	C7	C8	177.8°	180.0°
N2	C6	C11	H3	3.2°	0.1°
N2	C6	C7	H4	2.2°	0.0°
C7	C6	N2	C5	178.0°	146.7°
C6	C7	C8	H4	180.0°	180.0°
C7	C6	C11	H3	180.0°	179.8°
C6	C7	C8	H5	178.6°	179.9°
C7	C6	N2	H11	2.0°	33.4°
N2	C5	N1	C12	164.6°	171.2°
N2	C5	N1	C4	1.4°	8.9°
C5	N1	C12	C4	166.9°	180.0°
C5	N1	C12	C13	153.2°	126.4°
C5	N1	C4	C3	154.6°	126.4°
C5	N1	C4	H1	84.9°	113.9°
C5	N1	C4	H2	34.1°	6.5°
C5	N1	C12	H7	32.8°	113.8°
C5	N1	C12	H8	86.3°	6.6°
N1	C5	N2	H11	22.1°	7.3°
N1	C12	C13	H7	120.5°	119.8°
N1	C12	C13	H8	120.4°	119.8°
N1	C12	C13	C2	54.4°	54.6°
C12	N1	C4	C3	39.4°	53.6°
C12	N1	C4	H1	81.1°	66.2°
C12	N1	C4	H2	159.9°	173.4°
N1	C12	H7	H8	118.6°	120.3°
N1	C12	C13	H9	65.4°	65.3°
N1	C12	C13	H10	174.4°	174.6°
C13	C12	N1	C4	39.9°	53.6°
C12	C13	C2	H9	119.9°	120.0°
C12	C13	C2	H10	119.9°	120.0°
C12	C13	C2	C3	68.7°	61.4°
C12	C13	C2	C1	161.8°	178.6°
C13	C12	H7	H8	118.6°	120.4°
C12	C13	H9	H10	120.4°	120.1°
C12	C13	C2	H17	44.4°	58.6°
N1	C4	C3	H1	120.5°	119.8°
N1	C4	C3	H2	120.5°	119.9°
N1	C4	C3	C2	53.1°	54.6°
N1	C4	H1	H2	118.5°	120.5°
C4	N1	C12	H7	160.4°	66.2°
C4	N1	C12	H8	80.5°	173.4°
N1	C4	C3	H12	173.0°	174.6°
N1	C4	C3	H13	66.7°	65.3°
C13	C2	C3	C4	67.9°	61.4°
C13	C2	C3	C1	127.6°	120.0°
C13	C2	C3	H17	113.2°	120.1°
C13	C2	C1	H17	117.5°	120.0°
C2	C13	C12	H7	174.9°	65.2°
C2	C13	C12	H8	66.0°	174.4°
C2	C13	H9	H10	120.4°	120.1°
C13	C2	C3	H12	172.3°	178.7°
C13	C2	C3	H13	52.0°	58.6°
C13	C2	C1	H14	180.0°	60.0°
C13	C2	C1	H15	60.0°	180.0°
C13	C2	C1	H16	60.0°	60.0°
C4	C3	C2	H12	119.8°	119.9°
C4	C3	C2	H13	119.8°	120.0°
C4	C3	C2	C1	164.6°	178.6°
C3	C4	H1	H2	118.5°	120.3°
C4	C3	H12	H13	120.5°	120.1°
C4	C3	C2	H17	45.4°	58.7°
C3	C2	C1	H17	119.3°	119.9°
C2	C3	C4	H1	67.4°	65.2°
C2	C3	C4	H2	173.6°	174.5°
C3	C2	C13	H9	51.2°	58.6°
C3	C2	C13	H10	171.4°	178.6°
C2	C3	H12	H13	120.5°	120.1°
C3	C2	C1	H14	56.8°	179.9°
C3	C2	C1	H15	63.2°	59.9°
C3	C2	C1	H16	176.7°	60.1°
C1	C2	C13	H9	78.3°	61.4°
C1	C2	C13	H10	41.9°	58.6°
C1	C2	C3	H12	44.7°	58.7°
C1	C2	C3	H13	75.6°	61.4°
C2	C1	H14	H15	120.0°	120.0°
C2	C1	H14	H16	120.0°	120.0°
C2	C1	H15	H16	120.0°	120.0°
H1	C4	C3	H12	52.5°	54.8°
H1	C4	C3	H13	172.8°	174.9°
H2	C4	C3	H12	66.5°	65.5°
H2	C4	C3	H13	53.8°	54.6°
H3	C11	C10	H6	0.2°	0.0°
H4	C7	C8	H5	1.4°	0.0°
H7	C12	C13	H9	55.1°	174.9°
H7	C12	C13	H10	65.2°	54.8°
H8	C12	C13	H9	174.1°	54.5°
H8	C12	C13	H10	53.9°	65.6°
H9	C13	C2	H17	164.3°	178.6°
H10	C13	C2	H17	75.4°	61.3°
H12	C3	C2	H17	74.5°	61.2°
H13	C3	C2	H17	165.2°	178.7°
H14	C1	H15	H16	120.0°	120.1°
H14	C1	C2	H17	62.5°	60.0°
H15	C1	C2	H17	177.5°	60.0°
H16	C1	C2	H17	57.5°	180.0°

Release date:	2022-02-23
Definition date:	2021-02-09
Last modified:	2022-02-18
Release status:	REL
Processing site:	PDBE
Derived from:	7NGG