D7L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	O3	sing	1.43Å	1.40Å
O3	C6	sing	1.36Å	1.40Å
C5	C6	doub	1.39Å	1.44Å	Aromatic
C5	C4	sing	1.38Å	1.41Å	Aromatic
C6	C1	sing	1.39Å	1.42Å	Aromatic
C4	C3	doub	1.40Å	1.36Å	Aromatic
C1	O1	sing	1.36Å	1.40Å
C1	C2	doub	1.39Å	1.37Å	Aromatic
O1	C9	sing	1.36Å	1.40Å
C3	C2	sing	1.41Å	1.41Å	Aromatic
C3	C7	sing	1.47Å	1.39Å
C2	C8	sing	1.47Å	1.44Å
C12	C9	doub	1.38Å	1.39Å	Aromatic
C12	C13	sing	1.38Å	1.38Å	Aromatic
C9	C10	sing	1.40Å	1.39Å	Aromatic
C7	O2	doub	1.22Å	1.19Å
C7	N1	sing	1.35Å	1.26Å
C8	N1	sing	1.39Å	1.29Å
C8	C11	doub	1.36Å	1.33Å
C13	C14	doub	1.39Å	1.38Å	Aromatic
C10	C11	sing	1.48Å	1.54Å
C10	C15	doub	1.40Å	1.40Å	Aromatic
N1	C16	sing	1.47Å	1.46Å
C14	C15	sing	1.39Å	1.40Å	Aromatic
C14	O4	sing	1.36Å	1.40Å
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C11	H3	sing	1.08Å	1.08Å
C12	H6	sing	1.08Å	1.08Å
C13	H7	sing	1.08Å	1.08Å
C15	H8	sing	1.08Å	1.08Å
C16	H9	sing	1.09Å	1.10Å
C16	H10	sing	1.09Å	1.10Å
C16	H11	sing	1.09Å	1.10Å
C17	H12	sing	1.09Å	1.10Å
C17	H13	sing	1.09Å	1.10Å
C17	H14	sing	1.09Å	1.10Å
O4	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	O3	C6	114.1°	117.0°
O3	C17	H12	109.5°	109.5°
O3	C17	H13	109.5°	109.5°
O3	C17	H14	109.5°	109.5°
O3	C6	C5	122.3°	120.1°
O3	C6	C1	117.0°	120.1°
C6	C5	C4	120.0°	121.3°
C5	C6	C1	120.7°	119.9°
C6	C5	H2	120.0°	119.4°
C5	C4	C3	119.8°	119.7°
C5	C4	H1	120.1°	120.2°
C4	C5	H2	120.0°	119.3°
C6	C1	O1	115.2°	113.0°
C6	C1	C2	115.2°	118.9°
C4	C3	C2	118.6°	118.6°
C4	C3	C7	133.5°	135.2°
C3	C4	H1	120.1°	120.1°
O1	C1	C2	129.6°	128.1°
C1	O1	C9	126.5°	128.7°
C1	C2	C3	125.8°	121.6°
C1	C2	C8	130.9°	131.5°
O1	C9	C12	111.2°	110.5°
O1	C9	C10	128.0°	130.0°
C2	C3	C7	107.9°	106.2°
C3	C2	C8	103.4°	106.9°
C3	C7	O2	127.1°	125.4°
C3	C7	N1	106.1°	109.2°
C2	C8	N1	105.9°	107.5°
C2	C8	C11	126.2°	126.3°
C9	C12	C13	120.6°	120.3°
C12	C9	C10	120.7°	119.5°
C9	C12	H6	119.7°	119.9°
C12	C13	C14	119.1°	120.4°
C13	C12	H6	119.7°	119.8°
C12	C13	H7	120.5°	119.8°
C9	C10	C11	127.2°	129.3°
C9	C10	C15	117.6°	119.9°
O2	C7	N1	126.8°	125.4°
C7	N1	C8	116.7°	110.2°
C7	N1	C16	122.3°	124.9°
N1	C8	C11	127.9°	126.1°
C8	N1	C16	121.0°	124.9°
C8	C11	C10	126.1°	126.1°
C8	C11	H3	116.9°	116.9°
C13	C14	C15	119.5°	119.9°
C13	C14	O4	118.0°	120.0°
C14	C13	H7	120.4°	119.8°
C11	C10	C15	115.3°	110.8°
C10	C11	H3	117.0°	116.9°
C10	C15	C14	121.1°	119.9°
C10	C15	H8	119.4°	120.1°
N1	C16	H9	109.5°	109.5°
N1	C16	H10	109.5°	109.5°
N1	C16	H11	109.4°	109.5°
C15	C14	O4	120.5°	120.0°
C14	C15	H8	119.4°	120.1°
C14	O4	H15	109.5°	114.0°
H9	C16	H10	109.5°	109.5°
H9	C16	H11	109.5°	109.4°
H10	C16	H11	109.5°	109.5°
H12	C17	H13	109.4°	109.4°
H12	C17	H14	109.4°	109.4°
H13	C17	H14	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	O3	C6	C5	26.8°	0.0°
C17	O3	C6	C1	153.0°	180.0°
O3	C17	H12	H13	120.0°	120.1°
O3	C17	H12	H14	120.0°	120.1°
O3	C17	H13	H14	120.0°	120.0°
O3	C6	C5	C1	179.7°	180.0°
O3	C6	C5	C4	180.0°	180.0°
O3	C6	C1	O1	0.6°	0.0°
O3	C6	C1	C2	179.2°	179.7°
O3	C6	C5	H2	0.0°	0.0°
C6	O3	C17	H12	180.0°	60.0°
C6	O3	C17	H13	60.0°	60.0°
C6	O3	C17	H14	60.0°	180.0°
C6	C5	C4	H2	180.0°	180.0°
C6	C5	C4	C3	0.5°	0.0°
C5	C6	C1	O1	179.7°	180.0°
C5	C6	C1	C2	0.6°	0.3°
C6	C5	C4	H1	179.6°	179.7°
C4	C5	C6	C1	0.3°	0.0°
C5	C4	C3	H1	180.0°	179.7°
C5	C4	C3	C2	0.2°	0.4°
C5	C4	C3	C7	179.6°	179.7°
C6	C1	O1	C2	179.7°	179.7°
C6	C1	O1	C9	163.7°	179.2°
C6	C1	C2	C3	1.3°	0.6°
C6	C1	C2	C8	179.4°	179.9°
C1	C6	C5	H2	179.7°	180.0°
C4	C3	C2	C1	1.2°	0.7°
C4	C3	C2	C7	179.8°	180.0°
C4	C3	C2	C8	179.6°	179.8°
C4	C3	C7	O2	0.1°	0.1°
C4	C3	C7	N1	179.5°	179.9°
C3	C4	C5	H2	179.5°	180.0°
O1	C1	C2	C3	179.0°	179.7°
O1	C1	C2	C8	0.9°	0.2°
C1	O1	C9	C12	162.5°	179.6°
C1	O1	C9	C10	14.9°	0.7°
C2	C1	O1	C9	16.0°	0.5°
C1	C2	C3	C8	178.5°	179.6°
C1	C2	C3	C7	178.7°	179.4°
C1	C2	C8	N1	178.4°	179.2°
C1	C2	C8	C11	2.0°	0.7°
O1	C9	C12	C10	177.7°	179.7°
O1	C9	C12	C13	178.5°	179.7°
O1	C9	C10	C11	9.0°	0.4°
O1	C9	C10	C15	170.3°	179.7°
O1	C9	C12	H6	1.6°	0.2°
C2	C3	C7	O2	179.7°	179.9°
C2	C3	C7	N1	0.3°	0.1°
C3	C2	C8	N1	0.0°	0.3°
C3	C2	C8	C11	179.6°	179.8°
C2	C3	C4	H1	179.8°	180.0°
C7	C3	C2	C8	0.2°	0.2°
C3	C7	O2	N1	179.3°	180.0°
C3	C7	N1	C8	0.3°	0.1°
C3	C7	N1	C16	179.9°	179.9°
C7	C3	C4	H1	0.4°	0.0°
C2	C8	N1	C7	0.2°	0.2°
C2	C8	N1	C11	179.6°	180.0°
C2	C8	C11	C10	16.9°	0.5°
C2	C8	N1	C16	179.8°	179.8°
C2	C8	C11	H3	163.1°	179.9°
C9	C12	C13	H6	180.0°	179.9°
C9	C12	C13	C14	10.9°	0.0°
C12	C9	C10	C11	173.7°	179.9°
C12	C9	C10	C15	6.9°	0.0°
C9	C12	C13	H7	169.1°	179.9°
C13	C12	C9	C10	3.9°	0.0°
C12	C13	C14	H7	180.0°	179.9°
C12	C13	C14	C15	6.9°	0.1°
C12	C13	C14	O4	157.1°	180.0°
C9	C10	C11	C8	27.4°	0.3°
C9	C10	C11	C15	179.3°	179.9°
C9	C10	C15	C14	10.9°	0.1°
C9	C10	C11	H3	152.6°	179.6°
C10	C9	C12	H6	176.1°	179.9°
C9	C10	C15	H8	169.1°	179.9°
O2	C7	N1	C8	179.7°	179.9°
O2	C7	N1	C16	0.7°	0.0°
C7	N1	C8	C16	179.6°	179.9°
C7	N1	C8	C11	179.3°	179.8°
C7	N1	C16	H9	180.0°	0.0°
C7	N1	C16	H10	60.0°	119.9°
C7	N1	C16	H11	60.0°	120.0°
N1	C8	C11	C10	162.6°	179.4°
N1	C8	C11	H3	17.4°	0.0°
C8	N1	C16	H9	0.4°	180.0°
C8	N1	C16	H10	119.5°	60.0°
C8	N1	C16	H11	120.5°	60.1°
C8	C11	C10	H3	180.0°	179.4°
C8	C11	C10	C15	151.9°	179.8°
C11	C8	N1	C16	0.2°	0.1°
C13	C14	C15	C10	4.1°	0.1°
C13	C14	C15	O4	163.6°	179.9°
C14	C13	C12	H6	169.1°	179.9°
C13	C14	C15	H8	175.9°	180.0°
C13	C14	O4	H15	180.0°	89.9°
C11	C10	C15	C14	169.7°	180.0°
C11	C10	C15	H8	10.3°	0.1°
C10	C15	C14	H8	180.0°	179.9°
C10	C15	C14	O4	167.7°	180.0°
C15	C10	C11	H3	28.1°	0.4°
N1	C16	H9	H10	120.0°	120.0°
N1	C16	H9	H11	120.0°	120.0°
N1	C16	H10	H11	120.0°	120.0°
C15	C14	C13	H7	173.1°	180.0°
C15	C14	O4	H15	16.2°	90.0°
O4	C14	C13	H7	22.8°	0.1°
O4	C14	C15	H8	12.3°	0.1°
H1	C4	C5	H2	0.4°	0.3°
H6	C12	C13	H7	10.9°	0.0°
H9	C16	H10	H11	120.0°	120.0°
H12	C17	H13	H14	119.9°	119.9°

Release date:	2020-07-08
Definition date:	2019-07-12
Last modified:	2020-07-03
Release status:	REL
Processing site:	PDBJ
Derived from:	6KEK