8CI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.35Å	1.33Å
C1	C2	sing	1.48Å	1.49Å
C1	O1	doub	1.22Å	1.25Å
C13	C2	doub	1.40Å	1.39Å	Aromatic
C13	C12	sing	1.38Å	1.38Å	Aromatic
C2	C3	sing	1.40Å	1.39Å	Aromatic
C12	C5	doub	1.39Å	1.38Å	Aromatic
C3	C4	doub	1.38Å	1.39Å	Aromatic
C5	C4	sing	1.39Å	1.38Å	Aromatic
C5	O2	sing	1.36Å	1.37Å
C6	O2	sing	1.43Å	1.44Å
C6	C7	sing	1.53Å	1.51Å
C8	C7	sing	1.55Å	1.54Å
C8	C9	sing	1.55Å	1.52Å
C7	C11	sing	1.54Å	1.53Å
C9	C10	sing	1.54Å	1.51Å
C11	C10	sing	1.54Å	1.53Å
C4	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C11	H4	sing	1.09Å	1.10Å
C11	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.08Å	1.08Å
C13	H14	sing	1.08Å	1.08Å
N1	H15	sing	0.97Å	1.00Å
N1	H16	sing	0.97Å	1.00Å
C3	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	C2	119.5°	120.0°
N1	C1	O1	123.2°	120.1°
C1	N1	H15	120.0°	120.1°
C1	N1	H16	120.0°	120.0°
C2	C1	O1	117.2°	120.0°
C1	C2	C13	119.8°	120.1°
C1	C2	C3	120.9°	120.1°
C2	C13	C12	120.2°	119.9°
C13	C2	C3	119.3°	119.8°
C2	C13	H14	119.9°	120.1°
C13	C12	C5	120.2°	120.1°
C13	C12	H13	119.9°	120.0°
C12	C13	H14	119.9°	120.0°
C2	C3	C4	120.7°	119.9°
C2	C3	H17	119.6°	120.1°
C12	C5	C4	120.4°	120.2°
C12	C5	O2	122.5°	119.9°
C5	C12	H13	119.9°	119.9°
C3	C4	C5	119.1°	120.1°
C3	C4	H1	120.5°	119.9°
C4	C3	H17	119.7°	120.1°
C4	C5	O2	117.1°	119.9°
C5	C4	H1	120.4°	120.0°
C5	O2	C6	117.0°	117.0°
O2	C6	C7	108.6°	109.5°
O2	C6	H2	109.7°	109.5°
O2	C6	H3	109.7°	109.5°
C6	C7	C8	111.6°	110.5°
C6	C7	C11	112.1°	110.5°
C7	C6	H2	109.7°	109.4°
C7	C6	H3	109.7°	109.5°
C6	C7	H6	108.5°	110.4°
C7	C8	C9	105.6°	102.7°
C8	C7	C11	108.2°	104.2°
C8	C7	H6	108.2°	110.6°
C7	C8	H7	110.4°	110.8°
C7	C8	H8	110.4°	110.8°
C8	C9	C10	105.6°	104.2°
C9	C8	H7	110.4°	110.7°
C9	C8	H8	110.4°	110.7°
C8	C9	H9	110.4°	110.5°
C8	C9	H10	110.4°	110.5°
C7	C11	C10	105.0°	106.6°
C7	C11	H4	110.6°	110.0°
C7	C11	H5	110.6°	110.1°
C11	C7	H6	108.2°	110.5°
C9	C10	C11	107.0°	106.6°
C10	C9	H9	110.4°	110.4°
C10	C9	H10	110.4°	110.5°
C9	C10	H11	110.1°	110.0°
C9	C10	H12	110.1°	110.1°
C10	C11	H4	110.6°	110.0°
C10	C11	H5	110.6°	110.0°
C11	C10	H11	110.1°	110.0°
C11	C10	H12	110.1°	110.0°
H2	C6	H3	109.5°	109.5°
H4	C11	H5	109.5°	110.1°
H7	C8	H8	109.5°	110.9°
H9	C9	H10	109.5°	110.5°
H11	C10	H12	109.5°	110.1°
H15	N1	H16	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	C2	O1	175.6°	180.0°
N1	C1	C2	C13	21.8°	180.0°
N1	C1	C2	C3	159.4°	0.3°
C1	N1	H15	H16	180.0°	180.0°
C1	C2	C13	C3	178.8°	179.8°
C1	C2	C13	C12	177.7°	180.0°
C1	C2	C3	C4	179.3°	179.7°
C1	C2	C13	H14	2.3°	0.2°
C2	C1	N1	H15	175.4°	0.0°
C2	C1	N1	H16	4.6°	180.0°
C1	C2	C3	H17	0.8°	0.0°
O1	C1	C2	C13	153.8°	0.0°
O1	C1	C2	C3	24.9°	179.8°
O1	C1	N1	H15	0.0°	180.0°
O1	C1	N1	H16	180.0°	0.0°
C2	C13	C12	H14	180.0°	179.8°
C2	C13	C12	C5	1.4°	0.1°
C13	C2	C3	C4	0.5°	0.5°
C2	C13	C12	H13	178.6°	180.0°
C13	C2	C3	H17	179.5°	179.7°
C12	C13	C2	C3	1.0°	0.2°
C13	C12	C5	H13	180.0°	179.9°
C13	C12	C5	C4	0.1°	0.1°
C13	C12	C5	O2	179.4°	180.0°
C2	C3	C4	H17	180.0°	179.8°
C2	C3	C4	C5	1.7°	0.5°
C2	C3	C4	H1	178.3°	179.7°
C3	C2	C13	H14	179.0°	180.0°
C12	C5	C4	C3	1.4°	0.2°
C12	C5	C4	O2	179.5°	179.9°
C12	C5	O2	C6	3.9°	0.1°
C12	C5	C4	H1	178.6°	180.0°
C5	C12	C13	H14	178.6°	179.7°
C3	C4	C5	H1	180.0°	179.8°
C3	C4	C5	O2	179.1°	179.7°
C4	C5	O2	C6	176.6°	180.0°
C4	C5	C12	H13	179.9°	180.0°
C5	C4	C3	H17	178.3°	179.8°
C5	O2	C6	C7	179.2°	179.9°
O2	C5	C4	H1	0.9°	0.1°
C5	O2	C6	H2	60.9°	60.0°
C5	O2	C6	H3	59.4°	60.1°
O2	C5	C12	H13	0.6°	0.1°
O2	C6	C7	H2	119.8°	120.0°
O2	C6	C7	H3	119.9°	120.0°
O2	C6	C7	C8	170.3°	70.2°
O2	C6	C7	C11	68.2°	175.0°
O2	C6	H2	H3	120.4°	120.0°
O2	C6	C7	H6	51.2°	52.4°
C6	C7	C8	C11	123.7°	118.7°
C6	C7	C8	H6	119.3°	122.6°
C6	C7	C8	C9	134.5°	156.6°
C6	C7	C11	H6	119.6°	122.5°
C6	C7	C11	C10	116.1°	142.3°
C7	C6	H2	H3	120.4°	120.0°
C6	C7	C11	H4	3.2°	23.0°
C6	C7	C11	H5	124.7°	98.5°
C6	C7	C8	H7	106.1°	85.1°
C6	C7	C8	H8	15.1°	38.4°
C7	C8	C9	H7	119.4°	118.3°
C7	C8	C9	H8	119.4°	118.3°
C8	C7	C11	H6	117.0°	118.8°
C7	C8	C9	C10	25.1°	38.0°
C8	C7	C11	C10	7.4°	23.6°
C8	C7	C6	H2	50.4°	169.8°
C8	C7	C6	H3	69.9°	49.8°
C8	C7	C11	H4	126.7°	95.6°
C8	C7	C11	H5	111.9°	142.9°
C7	C8	H7	H8	121.8°	123.4°
C7	C8	C9	H9	94.3°	80.7°
C7	C8	C9	H10	144.5°	156.7°
C9	C8	C7	C11	10.8°	38.0°
C8	C9	C10	H9	119.4°	118.7°
C8	C9	C10	H10	119.4°	118.7°
C8	C9	C10	C11	30.4°	23.6°
C9	C8	C7	H6	106.2°	80.8°
C9	C8	H7	H8	121.8°	123.3°
C8	C9	H9	H10	121.8°	122.7°
C8	C9	C10	H11	150.0°	95.7°
C8	C9	C10	H12	89.2°	142.8°
C7	C11	C10	C9	23.2°	0.0°
C7	C11	C10	H4	119.3°	119.3°
C7	C11	C10	H5	119.3°	119.3°
C11	C7	C6	H2	171.9°	55.0°
C11	C7	C6	H3	51.6°	65.0°
C7	C11	H4	H5	122.1°	121.5°
C11	C7	C8	H7	130.2°	156.2°
C11	C7	C8	H8	108.6°	80.3°
C7	C11	C10	H11	142.9°	119.3°
C7	C11	C10	H12	96.4°	119.3°
C9	C10	C11	H11	119.6°	119.3°
C9	C10	C11	H12	119.6°	119.3°
C9	C10	C11	H4	142.5°	119.3°
C9	C10	C11	H5	96.0°	119.3°
C10	C9	C8	H7	144.5°	156.3°
C10	C9	C8	H8	94.3°	80.4°
C10	C9	H9	H10	121.8°	122.5°
C9	C10	H11	H12	121.1°	121.5°
C10	C11	H4	H5	122.1°	121.4°
C10	C11	C7	H6	124.4°	95.2°
C11	C10	C9	H9	89.0°	95.1°
C11	C10	C9	H10	149.8°	142.4°
C11	C10	H11	H12	121.1°	121.4°
H1	C4	C3	H17	1.7°	0.1°
H2	C6	C7	H6	68.7°	67.5°
H3	C6	C7	H6	171.0°	172.4°
H4	C11	C7	H6	116.3°	145.5°
H4	C11	C10	H11	97.8°	0.0°
H4	C11	C10	H12	22.9°	121.4°
H5	C11	C7	H6	5.1°	24.0°
H5	C11	C10	H11	23.6°	121.4°
H5	C11	C10	H12	144.3°	0.0°
H6	C7	C8	H7	13.2°	37.4°
H6	C7	C8	H8	134.4°	160.9°
H7	C8	C9	H9	25.2°	37.6°
H7	C8	C9	H10	96.1°	85.0°
H8	C8	C9	H9	146.3°	161.0°
H8	C8	C9	H10	25.1°	38.3°
H9	C9	C10	H11	30.6°	145.6°
H9	C9	C10	H12	151.4°	24.1°
H10	C9	C10	H11	90.6°	23.1°
H10	C9	C10	H12	30.2°	98.4°
H13	C12	C13	H14	1.3°	0.2°

Release date:	2022-05-11
Definition date:	2021-10-07
Last modified:	2022-08-22
Release status:	REL
Processing site:	PDBE
Derived from:	7PWA