7BD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C5	doub	1.40Å	1.45Å	Aromatic
C2	C1	sing	1.48Å	1.65Å
C2	C3	sing	1.48Å	1.41Å
C3	C4	doub	1.40Å	1.42Å	Aromatic
C4	C6	sing	1.39Å	1.46Å	Aromatic
C5	C4	sing	1.48Å	1.43Å	Aromatic
C5	C10	sing	1.39Å	1.41Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C11	C1	sing	1.39Å	1.48Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
C12	C13	sing	1.38Å	1.41Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C13	C10	doub	1.38Å	1.45Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C16	O15	sing	1.43Å	1.40Å
C16	H16	sing	1.09Å	1.10Å
C16	H16A	sing	1.09Å	1.10Å
C17	C16	sing	1.53Å	1.51Å
C17	H17	sing	1.09Å	1.10Å
C17	H17A	sing	1.09Å	1.10Å
C18	C17	sing	1.51Å	1.46Å
C7	C3	sing	1.39Å	1.50Å	Aromatic
C7	C8	doub	1.38Å	1.37Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	C9	sing	1.38Å	1.38Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C9	C6	doub	1.38Å	1.43Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
N14	C2	doub	1.30Å	1.48Å
O15	N14	sing	1.42Å	1.21Å
O19	C18	sing	1.34Å	1.25Å
O19	HO19	sing	0.97Å	0.95Å
O20	C18	doub	1.21Å	1.26Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C1	C2	102.9°	107.8°
C1	C5	C4	111.8°	108.7°
C1	C5	C10	117.5°	119.4°
C5	C1	C11	121.4°	119.9°
C1	C2	C3	103.7°	107.0°
C2	C1	C11	135.6°	132.3°
C1	C2	N14	137.4°	126.5°
C2	C3	C4	113.2°	107.8°
C2	C3	C7	130.4°	132.3°
C3	C2	N14	118.5°	126.5°
C3	C4	C6	118.6°	119.4°
C3	C4	C5	108.5°	108.8°
C4	C3	C7	116.2°	119.9°
C6	C4	C5	132.8°	131.8°
C4	C6	H6	119.2°	120.0°
C4	C6	C9	121.5°	120.0°
C4	C5	C10	130.7°	131.9°
C5	C10	H10	120.2°	120.0°
C5	C10	C13	119.5°	120.0°
H6	C6	C9	119.2°	120.0°
H10	C10	C13	120.2°	120.0°
C1	C11	C12	119.7°	119.9°
C1	C11	H11	120.1°	120.1°
C12	C11	H11	120.1°	120.0°
C11	C12	C13	118.7°	120.3°
C11	C12	H12	120.6°	119.8°
C13	C12	H12	120.6°	119.9°
C12	C13	C10	123.1°	120.5°
C12	C13	H13	118.4°	119.8°
C10	C13	H13	118.5°	119.7°
O15	C16	H16	110.5°	109.4°
O15	C16	H16A	111.2°	109.5°
O15	C16	C17	106.4°	109.4°
C16	O15	N14	118.2°	114.0°
H16	C16	H16A	107.1°	109.5°
H16	C16	C17	110.5°	109.5°
H16A	C16	C17	111.2°	109.5°
C16	C17	H17	108.9°	109.5°
C16	C17	H17A	108.5°	109.4°
C16	C17	C18	111.2°	109.4°
H17	C17	H17A	110.9°	109.5°
H17	C17	C18	108.9°	109.5°
H17A	C17	C18	108.5°	109.5°
C17	C18	O19	123.0°	120.0°
C17	C18	O20	106.2°	120.1°
C3	C7	C8	123.6°	119.9°
C3	C7	H7	118.2°	120.1°
C8	C7	H7	118.2°	120.0°
C7	C8	C9	120.2°	120.2°
C7	C8	H8	119.9°	119.9°
C9	C8	H8	119.9°	119.9°
C8	C9	C6	119.9°	120.5°
C8	C9	H9	120.1°	119.7°
C6	C9	H9	120.0°	119.8°
C2	N14	O15	117.6°	120.0°
C18	O19	HO19	109.5°	117.0°
O19	C18	O20	130.7°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C1	C2	C11	175.7°	179.7°
C5	C1	C2	C3	1.5°	0.0°
C1	C5	C4	C3	0.1°	0.0°
C1	C5	C4	C6	177.9°	180.0°
C1	C5	C4	C10	178.1°	180.0°
C1	C5	C10	H10	179.8°	180.0°
C5	C1	C11	C12	1.2°	0.0°
C5	C1	C11	H11	178.7°	179.9°
C1	C5	C10	C13	0.2°	0.0°
C5	C1	C2	N14	173.7°	180.0°
C1	C2	C3	N14	174.0°	180.0°
C1	C2	C3	C4	1.6°	0.0°
C2	C1	C5	C4	1.0°	0.0°
C2	C1	C5	C10	177.4°	180.0°
C2	C1	C11	C12	176.3°	179.7°
C2	C1	C11	H11	3.7°	0.2°
C1	C2	C3	C7	177.0°	180.0°
C1	C2	N14	O15	55.3°	180.0°
C2	C3	C4	C7	176.1°	180.0°
C2	C3	C4	C6	177.1°	180.0°
C2	C3	C4	C5	1.1°	0.0°
C3	C2	C1	C11	177.2°	179.7°
C2	C3	C7	C8	176.6°	180.0°
C2	C3	C7	H7	3.4°	0.0°
C3	C2	N14	O15	133.4°	0.0°
C3	C4	C6	C5	177.7°	179.9°
C3	C4	C5	C10	178.1°	180.0°
C3	C4	C6	H6	179.7°	180.0°
C4	C3	C7	C8	1.4°	0.0°
C4	C3	C7	H7	178.6°	180.0°
C3	C4	C6	C9	0.3°	0.0°
C4	C3	C2	N14	175.6°	180.0°
C6	C4	C5	C10	0.2°	0.0°
C4	C6	H6	C9	180.0°	179.9°
C6	C4	C3	C7	1.1°	0.0°
C4	C6	C9	C8	0.4°	0.0°
C4	C6	C9	H9	179.6°	180.0°
C5	C4	C6	H6	2.5°	0.1°
C4	C5	C10	H10	2.2°	0.0°
C4	C5	C1	C11	177.4°	179.8°
C4	C5	C10	C13	177.8°	180.0°
C5	C4	C3	C7	177.2°	180.0°
C5	C4	C6	C9	177.5°	180.0°
C5	C10	H10	C13	180.0°	180.0°
C10	C5	C1	C11	1.0°	0.2°
C5	C10	C13	C12	0.3°	0.5°
C5	C10	C13	H13	179.7°	179.8°
H6	C6	C9	C8	179.6°	180.0°
H6	C6	C9	H9	0.4°	0.1°
H10	C10	C13	C12	179.7°	179.5°
H10	C10	C13	H13	0.3°	0.2°
C1	C11	C12	H11	180.0°	179.9°
C1	C11	C12	C13	0.7°	0.6°
C1	C11	C12	H12	179.3°	180.0°
C11	C1	C2	N14	10.6°	0.3°
C11	C12	C13	H12	180.0°	179.4°
C11	C12	C13	C10	0.1°	0.8°
C11	C12	C13	H13	179.9°	179.9°
H11	C11	C12	C13	179.3°	179.5°
H11	C11	C12	H12	0.7°	0.1°
C12	C13	C10	H13	180.0°	179.2°
H12	C12	C13	C10	179.9°	179.8°
H12	C12	C13	H13	0.1°	0.5°
O15	C16	H16	H16A	121.2°	120.0°
O15	C16	H16	C17	117.5°	119.9°
O15	C16	H16A	C17	118.3°	120.0°
O15	C16	C17	H17	109.9°	60.0°
O15	C16	C17	H17A	10.8°	60.1°
O15	C16	C17	C18	130.1°	180.0°
C16	O15	N14	C2	166.6°	180.0°
H16	C16	H16A	C17	120.8°	120.1°
H16	C16	C17	H17	130.1°	59.9°
H16	C16	C17	H17A	109.1°	180.0°
H16	C16	C17	C18	10.1°	60.1°
H16	C16	O15	N14	111.2°	60.0°
H16A	C16	C17	H17	11.3°	180.0°
H16A	C16	C17	H17A	132.0°	59.9°
H16A	C16	C17	C18	108.7°	60.0°
H16A	C16	O15	N14	7.6°	60.0°
C16	C17	H17	H17A	119.3°	120.0°
C16	C17	H17	C18	121.4°	120.0°
C16	C17	H17A	C18	121.0°	119.9°
C17	C16	O15	N14	128.8°	180.0°
C16	C17	C18	O19	134.8°	180.0°
C16	C17	C18	O20	42.3°	0.0°
H17	C17	H17A	C18	119.5°	120.1°
H17	C17	C18	O19	105.3°	60.0°
H17	C17	C18	O20	77.7°	120.0°
H17A	C17	C18	O19	15.5°	60.1°
H17A	C17	C18	O20	161.5°	119.9°
C17	C18	O19	O20	176.3°	180.0°
C17	C18	O19	HO19	176.3°	180.0°
C3	C7	C8	H7	180.0°	180.0°
C3	C7	C8	C9	0.7°	0.0°
C3	C7	C8	H8	179.3°	180.0°
C7	C3	C2	N14	9.1°	0.0°
C7	C8	C9	H8	180.0°	179.9°
C7	C8	C9	C6	0.2°	0.0°
C7	C8	C9	H9	179.8°	180.0°
H7	C7	C8	C9	179.3°	180.0°
H7	C7	C8	H8	0.8°	0.0°
C8	C9	C6	H9	180.0°	179.9°
H8	C8	C9	C6	179.8°	180.0°
H8	C8	C9	H9	0.1°	0.1°
HO19	O19	C18	O20	0.0°	0.0°

Definition date:	2009-04-06
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	3GS4