BL6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	C4	sing	1.47Å	1.50Å
C5	C6	doub	1.39Å	1.42Å	Aromatic
C5	C10	sing	1.41Å	1.44Å	Aromatic
C4	C3	sing	1.52Å	1.52Å
C4	O2	doub	1.21Å	1.23Å
C3	C2	sing	1.54Å	1.55Å
C3	C11	sing	1.52Å	1.53Å
C3	O1	sing	1.43Å	1.49Å
C2	C1	sing	1.54Å	1.57Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C1	N1	sing	1.47Å	1.51Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C6	C7	sing	1.38Å	1.40Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C8	C9	sing	1.38Å	1.41Å	Aromatic
C8	C18	sing	1.51Å	1.49Å
C8	C7	doub	1.39Å	1.42Å	Aromatic
C10	N2	sing	1.36Å	1.38Å
C10	C9	doub	1.40Å	1.41Å	Aromatic
C11	N1	sing	1.36Å	1.40Å
C11	N2	doub	1.30Å	1.36Å
C12	C13	doub	1.39Å	1.42Å	Aromatic
C12	C17	sing	1.39Å	1.43Å	Aromatic
C12	N1	sing	1.40Å	1.42Å
C13	C14	sing	1.38Å	1.42Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C14	C15	doub	1.38Å	1.42Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
C17	C16	doub	1.38Å	1.41Å	Aromatic
C17	H17	sing	1.08Å	1.08Å
O1	HO1	sing	0.97Å	0.95Å
C16	C15	sing	1.38Å	1.40Å	Aromatic
C16	H16	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C18	H18	sing	1.09Å	1.10Å
C18	H18A	sing	1.09Å	1.10Å
C18	H18B	sing	1.09Å	1.10Å
C7	H7	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C5	C6	119.7°	121.1°
C4	C5	C10	118.2°	118.7°
C5	C4	C3	113.5°	115.8°
C5	C4	O2	122.6°	122.1°
C6	C5	C10	122.1°	120.2°
C5	C6	C7	118.3°	119.6°
C5	C6	H6	120.9°	120.2°
C5	C10	N2	121.4°	120.3°
C5	C10	C9	119.2°	119.1°
C3	C4	O2	123.8°	122.1°
C4	C3	C2	115.8°	109.4°
C4	C3	C11	105.4°	106.9°
C4	C3	O1	111.1°	112.1°
C2	C3	C11	102.0°	102.6°
C2	C3	O1	111.7°	112.3°
C3	C2	C1	101.0°	102.4°
C3	C2	H2	112.4°	110.8°
C3	C2	H2A	114.2°	110.8°
C11	C3	O1	110.0°	112.9°
C3	C11	N1	108.7°	107.6°
C3	C11	N2	119.1°	125.0°
C3	O1	HO1	109.5°	114.0°
C1	C2	H2	112.4°	110.8°
C1	C2	H2A	114.1°	110.8°
C2	C1	N1	104.0°	106.6°
C2	C1	H1	111.3°	110.1°
C2	C1	H1A	112.5°	110.1°
H2	C2	H2A	103.2°	110.9°
N1	C1	H1	111.4°	110.0°
N1	C1	H1A	112.5°	110.1°
C1	N1	C11	109.6°	110.3°
C1	N1	C12	120.8°	124.8°
H1	C1	H1A	105.3°	110.0°
C7	C6	H6	120.9°	120.2°
C6	C7	C8	119.2°	120.4°
C6	C7	H7	120.4°	119.8°
C9	C8	C18	117.2°	119.6°
C9	C8	C7	123.3°	120.8°
C8	C9	C10	118.0°	119.9°
C8	C9	H9	121.0°	120.1°
C18	C8	C7	119.6°	119.6°
C8	C18	H18	109.5°	109.5°
C8	C18	H18A	109.4°	109.5°
C8	C18	H18B	109.4°	109.5°
C8	C7	H7	120.4°	119.8°
N2	C10	C9	119.4°	120.5°
C10	N2	C11	119.1°	121.1°
C10	C9	H9	121.0°	120.1°
N1	C11	N2	126.7°	127.3°
C11	N1	C12	127.6°	124.9°
C13	C12	C17	119.1°	119.8°
C13	C12	N1	122.2°	120.1°
C12	C13	C14	118.4°	120.0°
C12	C13	H13	120.8°	120.1°
C17	C12	N1	118.7°	120.1°
C12	C17	C16	121.6°	119.9°
C12	C17	H17	119.2°	120.0°
C14	C13	H13	120.8°	120.0°
C13	C14	C15	122.0°	120.0°
C13	C14	H14	119.0°	120.0°
C15	C14	H14	119.0°	120.0°
C14	C15	C16	119.6°	120.2°
C14	C15	H15	120.2°	119.9°
C16	C17	H17	119.2°	120.1°
C17	C16	C15	119.1°	120.1°
C17	C16	H16	120.4°	119.9°
C15	C16	H16	120.4°	120.0°
C16	C15	H15	120.2°	120.0°
H18	C18	H18A	109.5°	109.4°
H18	C18	H18B	109.5°	109.5°
H18A	C18	H18B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C5	C6	C10	177.9°	179.7°
C5	C4	C3	O2	176.1°	180.0°
C5	C4	C3	C2	161.0°	149.1°
C5	C4	C3	C11	49.0°	38.6°
C5	C4	C3	O1	70.1°	85.7°
C4	C5	C6	C7	179.1°	180.0°
C4	C5	C6	H6	0.9°	0.1°
C4	C5	C10	N2	0.8°	0.1°
C4	C5	C10	C9	178.8°	179.9°
C6	C5	C4	C3	151.4°	152.6°
C6	C5	C4	O2	24.8°	27.4°
C5	C6	C7	H6	180.0°	179.9°
C5	C6	C7	C8	0.3°	0.1°
C6	C5	C10	N2	178.7°	179.8°
C6	C5	C10	C9	0.9°	0.2°
C5	C6	C7	H7	179.7°	179.9°
C10	C5	C4	C3	26.6°	27.7°
C10	C5	C4	O2	157.2°	152.3°
C10	C5	C6	C7	1.2°	0.3°
C10	C5	C6	H6	178.8°	179.8°
C5	C10	C9	C8	0.3°	0.1°
C5	C10	N2	C9	179.6°	180.0°
C5	C10	N2	C11	0.1°	12.4°
C5	C10	C9	H9	179.7°	179.8°
C4	C3	C2	C11	113.9°	113.3°
C4	C3	C2	O1	128.6°	125.2°
C4	C3	C11	O1	119.9°	123.8°
C4	C3	C2	C1	151.1°	141.7°
C4	C3	C2	H2	31.0°	23.4°
C4	C3	C2	H2A	86.0°	100.1°
C4	C3	C11	N1	151.1°	148.0°
C4	C3	C11	N2	53.3°	29.3°
C4	C3	O1	HO1	74.4°	59.2°
O2	C4	C3	C2	22.9°	30.9°
O2	C4	C3	C11	134.9°	141.4°
O2	C4	C3	O1	106.0°	94.4°
C2	C3	C11	O1	118.7°	121.1°
C3	C2	C1	H2	120.0°	118.3°
C3	C2	C1	H2A	123.0°	118.2°
C3	C2	H2	H2A	123.4°	123.5°
C3	C2	C1	N1	32.8°	16.0°
C3	C2	C1	H1	152.8°	135.3°
C3	C2	C1	H1A	89.2°	103.3°
C2	C3	C11	N1	29.7°	32.9°
C2	C3	C11	N2	174.7°	144.4°
C2	C3	O1	HO1	56.6°	177.0°
C11	C3	C2	C1	37.2°	28.3°
C11	C3	C2	H2	82.9°	89.9°
C11	C3	C2	H2A	160.1°	146.5°
C3	C11	N1	C1	8.8°	23.5°
C3	C11	N2	C10	29.5°	4.2°
C3	C11	N1	N2	153.2°	177.2°
C3	C11	N1	C12	155.1°	156.5°
C11	C3	O1	HO1	169.2°	61.6°
O1	C3	C2	C1	80.3°	93.1°
O1	C3	C2	H2	159.7°	148.6°
O1	C3	C2	H2A	42.6°	25.1°
O1	C3	C11	N1	89.0°	88.2°
O1	C3	C11	N2	66.6°	94.5°
C1	C2	H2	H2A	123.4°	123.5°
C2	C1	N1	H1	120.0°	119.3°
C2	C1	N1	H1A	122.1°	119.3°
C2	C1	H1	H1A	122.2°	121.5°
C2	C1	N1	C11	15.7°	4.3°
C2	C1	N1	C12	179.2°	175.8°
H2	C2	C1	N1	87.2°	102.2°
H2	C2	C1	H1	32.8°	17.0°
H2	C2	C1	H1A	150.8°	138.5°
H2A	C2	C1	N1	155.7°	134.2°
H2A	C2	C1	H1	84.2°	106.5°
H2A	C2	C1	H1A	33.7°	14.9°
N1	C1	H1	H1A	122.2°	121.4°
C1	N1	C11	C12	163.9°	179.9°
C1	N1	C11	N2	162.0°	153.7°
C1	N1	C12	C13	174.2°	0.0°
C1	N1	C12	C17	3.3°	179.7°
H1	C1	N1	C11	135.7°	115.0°
H1	C1	N1	C12	59.2°	64.9°
H1A	C1	N1	C11	106.4°	123.6°
H1A	C1	N1	C12	58.8°	56.5°
C6	C7	C8	C9	0.9°	0.1°
C6	C7	C8	C18	178.7°	179.9°
C6	C7	C8	H7	180.0°	179.9°
H6	C6	C7	C8	179.7°	179.9°
H6	C6	C7	H7	0.3°	0.0°
C9	C8	C18	C7	178.0°	179.8°
C8	C9	C10	N2	179.9°	179.9°
C8	C9	C10	H9	180.0°	179.7°
C9	C8	C18	H18	19.8°	90.0°
C9	C8	C18	H18A	100.2°	150.0°
C9	C8	C18	H18B	139.8°	30.0°
C9	C8	C7	H7	179.1°	179.8°
C18	C8	C9	C10	179.1°	179.9°
C18	C8	C9	H9	0.9°	0.3°
C8	C18	H18	H18A	120.0°	119.9°
C8	C18	H18	H18B	120.0°	120.0°
C8	C18	H18A	H18B	120.0°	120.0°
C18	C8	C7	H7	1.3°	0.0°
C7	C8	C9	C10	1.2°	0.3°
C7	C8	C9	H9	178.8°	179.9°
C7	C8	C18	H18	162.2°	90.2°
C7	C8	C18	H18A	77.8°	29.8°
C7	C8	C18	H18B	42.2°	149.8°
C10	N2	C11	N1	179.7°	172.6°
N2	C10	C9	H9	0.1°	0.2°
C9	C10	N2	C11	179.6°	167.6°
C11	N1	C12	C13	23.5°	180.0°
C11	N1	C12	C17	159.0°	0.4°
N2	C11	N1	C12	1.9°	26.2°
C13	C12	C17	N1	177.6°	179.7°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	C15	0.1°	0.0°
C12	C13	C14	H14	179.9°	180.0°
C13	C12	C17	C16	0.1°	0.1°
C13	C12	C17	H17	179.8°	180.0°
C17	C12	C13	C14	0.7°	0.0°
C17	C12	C13	H13	179.2°	180.0°
C12	C17	C16	H17	180.0°	180.0°
C12	C17	C16	C15	1.6°	0.0°
C12	C17	C16	H16	178.4°	180.0°
N1	C12	C13	C14	176.8°	179.7°
N1	C12	C13	H13	3.3°	0.3°
N1	C12	C17	C16	177.7°	179.7°
N1	C12	C17	H17	2.3°	0.3°
C13	C14	C15	H14	180.0°	180.0°
C13	C14	C15	C16	1.3°	0.0°
C13	C14	C15	H15	178.7°	179.9°
H13	C13	C14	C15	179.8°	180.0°
H13	C13	C14	H14	0.2°	0.0°
C14	C15	C16	C17	2.2°	0.0°
C14	C15	C16	H15	180.0°	179.9°
C14	C15	C16	H16	177.9°	180.0°
H14	C14	C15	C16	178.7°	180.0°
H14	C14	C15	H15	1.3°	0.1°
C17	C16	C15	H16	180.0°	180.0°
C17	C16	C15	H15	177.8°	179.9°
H17	C17	C16	C15	178.4°	180.0°
H17	C17	C16	H16	1.6°	0.0°
H16	C16	C15	H15	2.1°	0.1°
H18	C18	H18A	H18B	120.0°	120.0°

Definition date:	2008-01-19
Last modified:	2021-03-13
Release status:	REL
Processing site:	RCSB
Derived from:	3BZ8