AH6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C10	sing	1.53Å	1.50Å
C10	O1	sing	1.43Å	1.44Å
O1	C2	sing	1.36Å	1.36Å
O2	C12	sing	1.43Å	1.42Å
O2	C3	sing	1.36Å	1.37Å
C2	C3	doub	1.39Å	1.41Å	Aromatic
C2	C1	sing	1.38Å	1.38Å	Aromatic
C3	C4	sing	1.38Å	1.38Å	Aromatic
C1	C6	doub	1.39Å	1.40Å	Aromatic
C4	C5	doub	1.39Å	1.40Å	Aromatic
C6	C5	sing	1.38Å	1.39Å	Aromatic
C6	C9	sing	1.51Å	1.51Å
C5	C7	sing	1.51Å	1.51Å
C9	C8	sing	1.53Å	1.51Å
C7	N1	sing	1.47Å	1.47Å
C8	N1	sing	1.47Å	1.46Å
N1	C13	sing	1.35Å	1.35Å
C13	O3	doub	1.21Å	1.22Å
C4	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.09Å	1.10Å
C11	H3	sing	1.09Å	1.10Å
C11	H4	sing	1.09Å	1.10Å
C7	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	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C13	H16	sing	1.08Å	1.08Å
C1	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C10	O1	107.9°	109.5°
C10	C11	H2	109.5°	109.5°
C10	C11	H3	109.5°	109.4°
C10	C11	H4	109.5°	109.5°
C11	C10	H11	109.8°	109.5°
C11	C10	H12	109.9°	109.5°
C10	O1	C2	116.2°	117.0°
O1	C10	H11	109.9°	109.5°
O1	C10	H12	109.9°	109.4°
O1	C2	C3	116.5°	120.2°
O1	C2	C1	123.6°	120.1°
C12	O2	C3	117.1°	117.0°
O2	C12	H13	109.5°	109.5°
O2	C12	H14	109.4°	109.5°
O2	C12	H15	109.5°	109.4°
O2	C3	C2	115.3°	120.2°
O2	C3	C4	125.5°	120.2°
C3	C2	C1	119.9°	119.7°
C2	C3	C4	119.1°	119.6°
C2	C1	C6	121.3°	120.6°
C2	C1	H17	119.3°	119.7°
C3	C4	C5	120.8°	120.5°
C3	C4	H1	119.6°	119.8°
C1	C6	C5	118.9°	119.7°
C1	C6	C9	119.9°	117.5°
C6	C1	H17	119.3°	119.7°
C4	C5	C6	120.0°	119.9°
C4	C5	C7	118.1°	117.7°
C5	C4	H1	119.6°	119.7°
C5	C6	C9	121.2°	122.8°
C6	C5	C7	121.9°	122.3°
C6	C9	C8	111.6°	110.9°
C6	C9	H9	109.0°	109.1°
C6	C9	H10	108.9°	109.2°
C5	C7	N1	111.6°	109.7°
C5	C7	H5	108.9°	109.4°
C5	C7	H6	108.9°	109.4°
C9	C8	N1	108.9°	107.9°
C9	C8	H7	109.6°	109.7°
C9	C8	H8	109.6°	109.8°
C8	C9	H9	108.9°	109.2°
C8	C9	H10	108.9°	109.3°
C7	N1	C8	114.9°	117.3°
C7	N1	C13	122.3°	121.3°
N1	C7	H5	109.0°	109.4°
N1	C7	H6	108.9°	109.5°
C8	N1	C13	122.7°	121.3°
N1	C8	H7	109.6°	109.8°
N1	C8	H8	109.6°	109.8°
N1	C13	O3	124.9°	120.0°
N1	C13	H16	117.5°	120.0°
O3	C13	H16	117.6°	120.0°
H2	C11	H3	109.5°	109.5°
H2	C11	H4	109.4°	109.5°
H3	C11	H4	109.5°	109.5°
H5	C7	H6	109.5°	109.4°
H7	C8	H8	109.5°	109.7°
H9	C9	H10	109.5°	109.2°
H11	C10	H12	109.5°	109.4°
H13	C12	H14	109.5°	109.5°
H13	C12	H15	109.5°	109.5°
H14	C12	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C10	O1	H11	119.7°	120.1°
C11	C10	O1	H12	119.8°	120.0°
C11	C10	O1	C2	170.9°	180.0°
C10	C11	H2	H3	120.0°	119.9°
C10	C11	H2	H4	120.0°	120.0°
C10	C11	H3	H4	120.0°	120.0°
C11	C10	H11	H12	120.7°	120.0°
C10	O1	C2	C3	178.7°	180.0°
C10	O1	C2	C1	0.6°	0.5°
O1	C10	C11	H2	180.0°	180.0°
O1	C10	C11	H3	60.0°	60.0°
O1	C10	C11	H4	60.0°	60.0°
O1	C10	H11	H12	120.7°	119.9°
O1	C2	C3	O2	0.7°	0.2°
O1	C2	C3	C1	179.3°	179.5°
O1	C2	C3	C4	179.1°	179.8°
O1	C2	C1	C6	179.0°	179.6°
C2	O1	C10	H11	69.3°	59.9°
C2	O1	C10	H12	51.2°	60.0°
O1	C2	C1	H17	1.0°	0.2°
C12	O2	C3	C2	171.3°	180.0°
C12	O2	C3	C4	8.9°	0.0°
O2	C12	H13	H14	120.0°	120.0°
O2	C12	H13	H15	120.0°	120.0°
O2	C12	H14	H15	120.0°	120.0°
O2	C3	C2	C4	179.8°	180.0°
O2	C3	C2	C1	180.0°	179.7°
O2	C3	C4	C5	180.0°	179.8°
O2	C3	C4	H1	0.0°	0.1°
C3	O2	C12	H13	180.0°	60.1°
C3	O2	C12	H14	60.0°	60.0°
C3	O2	C12	H15	60.0°	180.0°
C3	C2	C1	C6	0.2°	0.9°
C2	C3	C4	C5	0.2°	0.2°
C2	C3	C4	H1	179.8°	179.9°
C3	C2	C1	H17	179.8°	179.7°
C1	C2	C3	C4	0.2°	0.3°
C2	C1	C6	H17	180.0°	179.4°
C2	C1	C6	C5	0.2°	1.0°
C2	C1	C6	C9	179.7°	178.7°
C3	C4	C5	H1	180.0°	179.7°
C3	C4	C5	C6	0.1°	0.1°
C3	C4	C5	C7	179.7°	179.8°
C1	C6	C5	C4	0.1°	0.5°
C1	C6	C5	C9	179.8°	179.7°
C1	C6	C5	C7	179.7°	179.1°
C1	C6	C9	C8	160.2°	160.3°
C1	C6	C9	H9	79.4°	79.4°
C1	C6	C9	H10	39.9°	39.9°
C4	C5	C6	C7	179.8°	179.6°
C4	C5	C6	C9	179.7°	179.2°
C4	C5	C7	N1	169.7°	169.1°
C4	C5	C7	H5	70.0°	70.9°
C4	C5	C7	H6	49.4°	48.9°
C5	C6	C9	C8	19.6°	20.0°
C6	C5	C7	N1	10.2°	11.3°
C6	C5	C4	H1	179.9°	179.8°
C6	C5	C7	H5	110.2°	108.7°
C6	C5	C7	H6	130.5°	131.5°
C5	C6	C9	H9	100.7°	100.4°
C5	C6	C9	H10	139.9°	140.4°
C5	C6	C1	H17	179.8°	179.6°
C9	C6	C5	C7	0.4°	1.1°
C6	C9	C8	H9	120.3°	120.3°
C6	C9	C8	H10	120.3°	120.4°
C6	C9	C8	N1	49.5°	47.5°
C6	C9	C8	H7	169.4°	167.1°
C6	C9	C8	H8	70.4°	72.2°
C6	C9	H9	H10	119.0°	119.2°
C9	C6	C1	H17	0.4°	0.7°
C5	C7	N1	H5	120.3°	120.0°
C5	C7	N1	H6	120.3°	120.1°
C5	C7	N1	C8	43.4°	44.3°
C5	C7	N1	C13	135.2°	135.6°
C7	C5	C4	H1	0.3°	0.6°
C5	C7	H5	H6	119.0°	119.9°
C9	C8	N1	C7	64.5°	64.2°
C9	C8	N1	H7	119.9°	119.6°
C9	C8	N1	H8	119.9°	119.7°
C9	C8	N1	C13	114.1°	115.7°
C9	C8	H7	H8	120.2°	120.8°
C8	C9	H9	H10	119.0°	119.4°
C7	N1	C8	C13	178.5°	179.9°
C7	N1	C13	O3	1.8°	0.1°
N1	C7	H5	H6	119.0°	119.9°
C7	N1	C8	H7	175.6°	176.2°
C7	N1	C8	H8	55.4°	55.4°
C7	N1	C13	H16	178.2°	179.9°
C8	N1	C13	O3	176.6°	180.0°
C8	N1	C7	H5	76.9°	75.7°
C8	N1	C7	H6	163.7°	164.5°
N1	C8	H7	H8	120.3°	120.8°
N1	C8	C9	H9	70.8°	72.8°
N1	C8	C9	H10	169.8°	167.8°
C8	N1	C13	H16	3.4°	0.0°
N1	C13	O3	H16	180.0°	180.0°
C13	N1	C7	H5	104.5°	104.4°
C13	N1	C7	H6	14.9°	15.5°
C13	N1	C8	H7	5.8°	3.9°
C13	N1	C8	H8	126.0°	124.6°
H2	C11	H3	H4	120.0°	120.0°
H2	C11	C10	H11	60.3°	59.9°
H2	C11	C10	H12	60.2°	60.0°
H3	C11	C10	H11	59.8°	60.0°
H3	C11	C10	H12	179.7°	180.0°
H4	C11	C10	H11	179.8°	180.0°
H4	C11	C10	H12	59.7°	60.0°
H7	C8	C9	H9	49.1°	46.8°
H7	C8	C9	H10	70.3°	72.6°
H8	C8	C9	H9	169.2°	167.5°
H8	C8	C9	H10	49.9°	48.1°
H13	C12	H14	H15	120.0°	120.0°

Release date:	2019-10-23
Definition date:	2018-11-01
Last modified:	2019-10-18
Release status:	REL
Processing site:	PDBJ
Derived from:	6IMI