7CS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C16	sing	1.47Å	1.45Å	Aromatic
C12	C11	doub	1.36Å	1.36Å	Aromatic
C12	C9	sing	1.47Å	1.39Å
O4	C9	doub	1.22Å	1.21Å
C8	N1	sing	1.47Å	1.49Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C8	H83	sing	1.09Å	1.10Å
C9	O3	sing	1.35Å	1.36Å
C11	N10	sing	1.36Å	1.39Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
O3	C3	sing	1.45Å	1.50Å
C7	C6	sing	1.54Å	1.51Å
C7	C1	sing	1.55Å	1.53Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
C6	C5	sing	1.55Å	1.53Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
N1	C5	sing	1.49Å	1.53Å
N1	C1	sing	1.49Å	1.52Å
C5	C4	sing	1.54Å	1.51Å
C5	H5	sing	1.09Å	1.10Å
C4	C3	sing	1.53Å	1.55Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C1	C2	sing	1.54Å	1.52Å
C1	H1	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.59Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C13	N14	doub	1.32Å	1.45Å	Aromatic
C13	C18	sing	1.39Å	1.46Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
N14	C15	sing	1.33Å	1.43Å	Aromatic
C15	N10	sing	1.38Å	1.39Å	Aromatic
C15	C16	doub	1.41Å	1.44Å	Aromatic
C16	C17	sing	1.39Å	1.47Å	Aromatic
C17	C18	doub	1.38Å	1.52Å	Aromatic
C17	H17	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
N10	HN10	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	C12	C11	104.3°	106.3°
C16	C12	C9	127.7°	126.9°
C12	C16	C15	108.3°	106.1°
C12	C16	C17	136.9°	134.3°
C11	C12	C9	128.1°	126.8°
C12	C11	N10	113.2°	109.7°
C12	C11	H11	123.4°	125.1°
C12	C9	O4	125.3°	120.0°
C12	C9	O3	114.5°	120.0°
O4	C9	O3	120.2°	120.0°
N1	C8	H81	109.5°	109.5°
N1	C8	H82	109.5°	109.5°
N1	C8	H83	109.4°	109.5°
C8	N1	C5	119.1°	111.0°
C8	N1	C1	117.3°	111.0°
H81	C8	H82	109.5°	109.4°
H81	C8	H83	109.5°	109.5°
H82	C8	H83	109.5°	109.4°
C9	O3	C3	121.5°	117.1°
N10	C11	H11	123.4°	125.1°
C11	N10	C15	107.4°	110.6°
C11	N10	HN10	126.3°	124.7°
O3	C3	C4	110.2°	109.5°
O3	C3	C2	109.7°	109.5°
O3	C3	H3	111.3°	109.4°
C6	C7	C1	109.4°	104.8°
C6	C7	H71	109.5°	110.4°
C6	C7	H72	109.5°	110.3°
C7	C6	C5	109.7°	104.9°
C7	C6	H61	109.4°	110.4°
C7	C6	H62	109.4°	110.4°
C1	C7	H71	109.5°	110.4°
C1	C7	H72	109.5°	110.4°
C7	C1	N1	94.4°	104.2°
C7	C1	C2	112.9°	107.8°
C7	C1	H1	115.7°	112.2°
H71	C7	H72	109.4°	110.4°
C5	C6	H61	109.4°	110.4°
C5	C6	H62	109.3°	110.4°
C6	C5	N1	94.0°	104.2°
C6	C5	C4	110.4°	107.8°
C6	C5	H5	117.3°	112.3°
H61	C6	H62	109.6°	110.3°
C5	N1	C1	112.3°	103.5°
N1	C5	C4	106.2°	107.2°
N1	C5	H5	120.9°	112.2°
N1	C1	C2	106.1°	107.2°
N1	C1	H1	121.7°	112.3°
C4	C5	H5	107.2°	112.6°
C5	C4	C3	115.2°	108.9°
C5	C4	H41	107.6°	109.5°
C5	C4	H42	106.3°	109.6°
C3	C4	H41	107.6°	109.5°
C3	C4	H42	106.3°	109.6°
C4	C3	C2	115.9°	109.7°
C4	C3	H3	104.5°	109.4°
H41	C4	H42	114.1°	109.7°
C2	C1	H1	105.7°	112.6°
C1	C2	C3	111.6°	108.9°
C1	C2	H21	108.7°	109.6°
C1	C2	H22	108.3°	109.6°
C3	C2	H21	108.8°	109.6°
C3	C2	H22	108.3°	109.6°
C2	C3	H3	105.1°	109.4°
H21	C2	H22	111.2°	109.7°
N14	C13	C18	119.4°	121.6°
N14	C13	H13	120.3°	119.2°
C13	N14	C15	121.0°	121.7°
C18	C13	H13	120.3°	119.2°
C13	C18	C17	117.5°	119.3°
C13	C18	H18	121.3°	120.3°
N14	C15	N10	129.0°	133.0°
N14	C15	C16	124.2°	119.8°
N10	C15	C16	106.8°	107.3°
C15	N10	HN10	126.3°	124.7°
C15	C16	C17	114.8°	119.6°
C16	C17	C18	122.9°	118.1°
C16	C17	H17	118.5°	121.0°
C18	C17	H17	118.6°	121.0°
C17	C18	H18	121.3°	120.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	C12	C11	C9	179.7°	179.7°
C16	C12	C9	O4	179.3°	0.1°
C16	C12	C9	O3	1.0°	180.0°
C16	C12	C11	N10	3.6°	0.0°
C16	C12	C11	H11	176.4°	180.0°
C12	C16	C15	N14	177.1°	180.0°
C12	C16	C15	N10	0.2°	0.0°
C12	C16	C15	C17	179.3°	180.0°
C12	C16	C17	C18	179.6°	180.0°
C12	C16	C17	H17	0.4°	0.0°
C11	C12	C9	O4	0.3°	179.7°
C11	C12	C9	O3	178.7°	0.4°
C12	C11	N10	H11	180.0°	179.9°
C12	C11	N10	C15	3.9°	0.0°
C11	C12	C16	C15	2.0°	0.0°
C11	C12	C16	C17	179.0°	179.9°
C12	C11	N10	HN10	176.1°	179.9°
C12	C9	O4	O3	178.3°	180.0°
C9	C12	C11	N10	176.2°	179.7°
C9	C12	C11	H11	3.9°	0.4°
C12	C9	O3	C3	176.9°	180.0°
C9	C12	C16	C15	177.8°	179.7°
C9	C12	C16	C17	1.3°	0.3°
O4	C9	O3	C3	1.6°	0.0°
N1	C8	H81	H82	120.0°	120.0°
N1	C8	H81	H83	120.0°	120.1°
N1	C8	H82	H83	120.0°	120.1°
C8	N1	C1	C7	99.2°	77.5°
C8	N1	C5	C6	97.8°	77.6°
C8	N1	C5	C1	142.8°	119.1°
C8	N1	C5	C4	149.7°	168.3°
C8	N1	C5	H5	27.6°	44.2°
C8	N1	C1	C2	145.4°	168.3°
C8	N1	C1	H1	24.7°	44.1°
H81	C8	H82	H83	120.0°	120.0°
H81	C8	N1	C5	27.4°	60.1°
H81	C8	N1	C1	113.6°	54.5°
H82	C8	N1	C5	147.4°	180.0°
H82	C8	N1	C1	6.4°	65.5°
H83	C8	N1	C5	92.6°	60.0°
H83	C8	N1	C1	126.5°	174.5°
C9	O3	C3	C4	161.8°	150.0°
C9	O3	C3	C2	69.4°	89.7°
C9	O3	C3	H3	46.4°	30.1°
C11	N10	C15	N14	179.0°	180.0°
C11	N10	C15	HN10	180.0°	179.9°
C11	N10	C15	C16	2.3°	0.0°
H11	C11	N10	C15	176.1°	179.9°
H11	C11	N10	HN10	3.9°	0.0°
O3	C3	C4	C5	87.5°	66.1°
O3	C3	C4	C2	125.3°	120.1°
O3	C3	C4	H3	119.6°	119.9°
O3	C3	C4	H41	32.5°	53.7°
O3	C3	C4	H42	155.1°	174.1°
O3	C3	C2	C1	85.8°	66.1°
O3	C3	C2	H3	119.7°	119.8°
O3	C3	C2	H21	154.3°	174.1°
O3	C3	C2	H22	33.3°	53.7°
C6	C7	C1	H71	120.0°	118.9°
C6	C7	C1	H72	120.0°	118.8°
C6	C7	H71	H72	120.0°	122.3°
C7	C6	C5	H61	120.0°	118.9°
C7	C6	C5	H62	119.9°	118.8°
C7	C6	H61	H62	119.9°	122.3°
C7	C6	C5	N1	25.6°	25.1°
C6	C7	C1	N1	23.5°	25.2°
C7	C6	C5	C4	83.3°	88.6°
C7	C6	C5	H5	153.6°	146.8°
C6	C7	C1	C2	86.1°	88.6°
C6	C7	C1	H1	151.9°	146.9°
C1	C7	H71	H72	120.0°	122.3°
C1	C7	C6	C5	1.5°	0.0°
C1	C7	C6	H61	121.5°	118.9°
C1	C7	C6	H62	118.4°	118.9°
C7	C1	N1	C5	44.3°	41.6°
C7	C1	N1	C2	115.4°	114.1°
C7	C1	N1	H1	124.0°	121.6°
C7	C1	C2	H1	127.5°	124.3°
C7	C1	C2	C3	48.9°	47.6°
C7	C1	C2	H21	168.8°	167.4°
C7	C1	C2	H22	70.2°	72.2°
H71	C7	C6	C5	121.5°	118.8°
H71	C7	C6	H61	118.4°	122.3°
H71	C7	C6	H62	1.6°	0.0°
H71	C7	C1	N1	96.5°	93.7°
H71	C7	C1	C2	153.9°	152.6°
H71	C7	C1	H1	31.9°	28.0°
H72	C7	C6	C5	118.5°	118.8°
H72	C7	C6	H61	1.5°	0.0°
H72	C7	C6	H62	121.6°	122.3°
H72	C7	C1	N1	143.5°	144.0°
H72	C7	C1	C2	33.9°	30.2°
H72	C7	C1	H1	88.1°	94.3°
C5	C6	H61	H62	119.9°	122.3°
C6	C5	N1	C4	112.5°	114.1°
C6	C5	N1	H5	125.3°	121.7°
C6	C5	N1	C1	45.0°	41.6°
C6	C5	C4	H5	128.9°	124.4°
C6	C5	C4	C3	52.1°	47.6°
C6	C5	C4	H41	67.9°	72.2°
C6	C5	C4	H42	169.5°	167.5°
H61	C6	C5	N1	145.6°	144.0°
H61	C6	C5	C4	36.7°	30.3°
H61	C6	C5	H5	86.4°	94.3°
H62	C6	C5	N1	94.3°	93.7°
H62	C6	C5	C4	156.8°	152.6°
H62	C6	C5	H5	33.7°	28.0°
N1	C5	C4	H5	130.5°	123.9°
N1	C5	C4	C3	48.6°	64.1°
N1	C5	C4	H41	168.5°	176.1°
N1	C5	C4	H42	68.9°	55.8°
C5	N1	C1	C2	71.1°	72.5°
C5	N1	C1	H1	168.3°	163.2°
C1	N1	C5	C4	67.5°	72.5°
C1	N1	C5	H5	170.4°	163.3°
N1	C1	C2	H1	130.4°	124.0°
N1	C1	C2	C3	53.2°	64.1°
N1	C1	C2	H21	66.8°	55.7°
N1	C1	C2	H22	172.3°	176.1°
C5	C4	C3	H41	120.0°	119.8°
C5	C4	C3	H42	117.4°	119.8°
C5	C4	H41	H42	117.7°	120.3°
C5	C4	C3	C2	37.9°	54.1°
C5	C4	C3	H3	152.9°	174.0°
H5	C5	C4	C3	179.1°	172.0°
H5	C5	C4	H41	60.9°	52.2°
H5	C5	C4	H42	61.6°	68.2°
C3	C4	H41	H42	117.7°	120.4°
C4	C3	C2	C1	39.8°	54.0°
C4	C3	C2	H3	114.7°	120.0°
C4	C3	C2	H21	80.2°	65.8°
C4	C3	C2	H22	158.9°	173.8°
H41	C4	C3	C2	157.8°	173.8°
H41	C4	C3	H3	87.1°	66.2°
H42	C4	C3	C2	79.6°	65.8°
H42	C4	C3	H3	35.5°	54.2°
C1	C2	C3	H21	120.0°	119.8°
C1	C2	C3	H22	119.1°	119.8°
C1	C2	H21	H22	119.1°	120.3°
C1	C2	C3	H3	154.5°	174.1°
H1	C1	C2	C3	176.3°	171.9°
H1	C1	C2	H21	63.7°	68.3°
H1	C1	C2	H22	57.3°	52.1°
C3	C2	H21	H22	119.1°	120.3°
H21	C2	C3	H3	34.6°	54.3°
H22	C2	C3	H3	86.4°	66.1°
N14	C13	C18	H13	180.0°	179.9°
C13	N14	C15	N10	179.5°	180.0°
C13	N14	C15	C16	4.3°	0.0°
N14	C13	C18	C17	0.7°	0.1°
N14	C13	C18	H18	179.4°	180.0°
C18	C13	N14	C15	2.7°	0.1°
C13	C18	C17	C16	2.7°	0.0°
C13	C18	C17	H18	180.0°	180.0°
C13	C18	C17	H17	177.2°	180.0°
H13	C13	N14	C15	177.3°	180.0°
H13	C13	C18	C17	179.3°	180.0°
H13	C13	C18	H18	0.6°	0.0°
N14	C15	N10	C16	176.7°	179.9°
N14	C15	C16	C17	2.1°	0.0°
N14	C15	N10	HN10	1.0°	0.1°
N10	C15	C16	C17	179.1°	180.0°
C15	C16	C17	C18	1.4°	0.0°
C15	C16	C17	H17	178.6°	180.0°
C16	C15	N10	HN10	177.7°	180.0°
C16	C17	C18	H17	180.0°	180.0°
C16	C17	C18	H18	177.3°	180.0°
H17	C17	C18	H18	2.7°	0.0°

Definition date:	2007-07-11
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB