W58

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.31Å	1.49Å
C1	C14	sing	1.50Å	1.36Å
C2	C3	sing	1.48Å	1.53Å
C2	C11	sing	1.50Å	1.44Å
C3	C4	doub	1.40Å	1.45Å	Aromatic
C3	C8	sing	1.39Å	1.37Å	Aromatic
C4	C5	sing	1.38Å	1.38Å	Aromatic
C5	C6	doub	1.39Å	1.36Å	Aromatic
C6	C7	sing	1.38Å	1.48Å	Aromatic
C6	C10	sing	1.51Å	1.54Å
C7	C8	doub	1.39Å	1.37Å	Aromatic
C7	C9	sing	1.51Å	1.55Å
C9	C10	sing	1.52Å	1.48Å
C11	N12	sing	1.47Å	1.58Å
C13	N12	sing	1.47Å	1.19Å
C1	H1	sing	1.08Å	1.08Å
C4	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C9	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C13	H12	sing	1.09Å	1.10Å
C13	H13	sing	1.09Å	1.10Å
C14	H15	sing	1.09Å	1.10Å
C14	H16	sing	1.09Å	1.10Å
N12	H17	sing	1.01Å	1.00Å
C13	C14	sing	1.53Å	1.71Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C14	116.9°	122.7°
C1	C2	C3	116.6°	118.5°
C1	C2	C11	117.0°	123.1°
C2	C1	H1	121.5°	118.7°
C14	C1	H1	121.5°	118.6°
C1	C14	H15	108.6°	109.4°
C1	C14	H16	108.6°	109.4°
C1	C14	C13	112.7°	109.7°
C3	C2	C11	115.8°	118.4°
C2	C3	C4	118.4°	120.2°
C2	C3	C8	119.7°	120.2°
C2	C11	N12	112.1°	110.2°
C2	C11	H10	108.8°	109.3°
C2	C11	H11	108.8°	109.3°
C4	C3	C8	121.8°	119.7°
C3	C4	C5	119.5°	119.8°
C3	C4	H3	120.2°	120.1°
C3	C8	C7	118.8°	120.0°
C3	C8	H5	120.6°	120.0°
C4	C5	C6	119.5°	120.3°
C5	C4	H3	120.3°	120.1°
C4	C5	H4	120.3°	119.9°
C5	C6	C7	120.8°	120.1°
C5	C6	C10	149.4°	147.2°
C6	C5	H4	120.3°	119.8°
C7	C6	C10	89.8°	92.7°
C6	C7	C8	119.6°	120.1°
C6	C7	C9	90.2°	92.7°
C6	C10	C9	90.4°	87.3°
C6	C10	H8	114.0°	113.6°
C6	C10	H9	114.0°	113.5°
C8	C7	C9	150.2°	147.2°
C7	C8	H5	120.6°	120.0°
C7	C9	C10	89.7°	87.3°
C7	C9	H6	114.2°	113.6°
C7	C9	H7	114.2°	113.6°
C10	C9	H6	114.2°	113.6°
C10	C9	H7	114.2°	113.6°
C9	C10	H8	114.0°	113.6°
C9	C10	H9	114.0°	113.6°
C11	N12	C13	110.1°	110.3°
N12	C11	H10	108.8°	109.3°
N12	C11	H11	108.8°	109.3°
C11	N12	H17	109.3°	111.0°
N12	C13	H12	108.9°	109.6°
N12	C13	H13	108.9°	109.6°
C13	N12	H17	109.3°	111.0°
N12	C13	C14	111.7°	108.5°
H6	C9	H7	109.5°	112.9°
H8	C10	H9	109.5°	112.9°
H10	C11	H11	109.5°	109.3°
H12	C13	H13	109.4°	109.7°
H12	C13	C14	108.9°	109.6°
H13	C13	C14	108.9°	109.8°
H15	C14	H16	109.5°	109.4°
H15	C14	C13	108.6°	109.5°
H16	C14	C13	108.7°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C14	H1	180.0°	179.8°
C1	C2	C3	C11	143.7°	180.0°
C1	C2	C3	C4	145.5°	115.0°
C1	C2	C3	C8	33.8°	65.3°
C1	C2	C11	N12	39.9°	17.1°
C1	C2	C11	H10	80.5°	103.1°
C1	C2	C11	H11	160.3°	137.3°
C2	C1	C14	H15	89.3°	103.5°
C2	C1	C14	H16	151.6°	136.6°
C2	C1	C14	C13	31.2°	16.5°
C14	C1	C2	C3	174.9°	179.7°
C14	C1	C2	C11	31.7°	0.3°
C1	C14	C13	N12	51.8°	49.2°
C1	C14	C13	H12	68.6°	168.9°
C1	C14	C13	H13	172.1°	70.6°
C1	C14	H15	H16	118.5°	119.9°
C1	C14	H15	C13	123.0°	120.2°
C1	C14	H16	C13	123.0°	120.2°
C2	C3	C4	C8	179.3°	179.7°
C2	C3	C4	C5	179.8°	180.0°
C2	C3	C8	C7	179.6°	179.7°
C3	C2	C11	N12	176.6°	162.9°
C3	C2	C1	H1	5.1°	0.1°
C2	C3	C4	H3	0.2°	0.1°
C2	C3	C8	H5	0.4°	0.0°
C3	C2	C11	H10	63.1°	76.9°
C3	C2	C11	H11	56.2°	42.7°
C11	C2	C3	C4	1.9°	65.0°
C11	C2	C3	C8	177.5°	114.7°
C2	C11	N12	H10	120.4°	120.2°
C2	C11	N12	H11	120.4°	120.2°
C2	C11	N12	C13	60.1°	51.2°
C11	C2	C1	H1	148.3°	179.9°
C2	C11	H10	H11	118.8°	119.6°
C2	C11	N12	H17	179.8°	174.6°
C3	C4	C5	H3	180.0°	180.0°
C3	C4	C5	C6	0.6°	0.0°
C4	C3	C8	C7	0.3°	0.6°
C3	C4	C5	H4	179.4°	180.0°
C4	C3	C8	H5	179.7°	179.8°
C8	C3	C4	C5	0.6°	0.3°
C3	C8	C7	C6	0.1°	0.6°
C3	C8	C7	H5	180.0°	179.7°
C3	C8	C7	C9	179.9°	179.9°
C8	C3	C4	H3	179.5°	179.8°
C4	C5	C6	H4	180.0°	179.9°
C4	C5	C6	C7	0.4°	0.0°
C4	C5	C6	C10	179.9°	179.8°
C5	C6	C7	C10	179.9°	179.9°
C5	C6	C7	C8	0.1°	0.3°
C5	C6	C7	C9	179.9°	180.0°
C5	C6	C10	C9	179.8°	179.9°
C6	C5	C4	H3	179.4°	179.9°
C5	C6	C10	H8	63.1°	65.3°
C5	C6	C10	H9	63.6°	65.5°
C6	C7	C8	C9	179.9°	179.4°
C7	C6	C10	C9	0.0°	0.1°
C7	C6	C5	H4	179.6°	179.9°
C6	C7	C8	H5	179.9°	179.7°
C6	C7	C9	H6	116.5°	114.6°
C6	C7	C9	H7	116.5°	114.6°
C7	C6	C10	H8	116.7°	114.6°
C7	C6	C10	H9	116.6°	114.6°
C10	C6	C7	C8	180.0°	179.8°
C6	C10	C9	H8	116.6°	114.6°
C6	C10	C9	H9	116.6°	114.5°
C10	C6	C5	H4	0.1°	0.1°
C6	C10	C9	H6	116.5°	114.6°
C6	C10	C9	H7	116.5°	114.6°
C6	C10	H8	H9	129.0°	131.1°
C8	C7	C9	C10	180.0°	179.6°
C8	C7	C9	H6	63.5°	64.9°
C8	C7	C9	H7	63.5°	65.9°
C7	C9	C10	H6	116.5°	114.6°
C7	C9	C10	H7	116.5°	114.6°
C9	C7	C8	H5	0.2°	0.3°
C7	C9	H6	H7	129.4°	131.1°
C7	C9	C10	H8	116.6°	114.6°
C7	C9	C10	H9	116.6°	114.6°
C10	C9	H6	H7	129.4°	131.1°
C9	C10	H8	H9	129.1°	131.2°
C11	N12	C13	H17	120.1°	123.5°
N12	C11	H10	H11	118.8°	119.6°
C11	N12	C13	H12	59.0°	171.0°
C11	N12	C13	H13	178.3°	50.6°
C11	N12	C13	C14	61.4°	69.3°
C13	N12	C11	H10	60.3°	69.0°
C13	N12	C11	H11	179.5°	171.4°
N12	C13	H12	H13	119.0°	120.4°
N12	C13	H12	C14	122.0°	119.0°
N12	C13	H13	C14	122.0°	119.1°
N12	C13	C14	H15	68.7°	70.8°
N12	C13	C14	H16	172.3°	169.3°
H1	C1	C14	H15	90.7°	76.2°
H1	C1	C14	H16	28.4°	43.6°
H1	C1	C14	C13	148.9°	163.7°
H3	C4	C5	H4	0.6°	0.0°
H6	C9	C10	H8	126.9°	130.8°
H6	C9	C10	H9	0.1°	0.0°
H7	C9	C10	H8	0.1°	0.0°
H7	C9	C10	H9	126.9°	130.8°
H10	C11	N12	H17	59.8°	54.5°
H11	C11	N12	H17	59.4°	65.1°
H12	C13	H13	C14	119.0°	120.5°
H12	C13	C14	H15	171.0°	48.8°
H12	C13	C14	H16	51.9°	71.1°
H12	C13	N12	H17	61.2°	47.6°
H13	C13	C14	H15	51.7°	169.4°
H13	C13	C14	H16	67.4°	49.5°
H13	C13	N12	H17	58.2°	72.8°
H15	C14	H16	C13	118.5°	119.9°
H17	N12	C13	C14	178.5°	167.2°

Release date:	2022-09-28
Definition date:	2021-12-09
Last modified:	2022-09-23
Release status:	REL
Processing site:	PDBJ
Derived from:	7W7E