6AN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	C8	sing	1.40Å	1.43Å	Aromatic
C7	C9	doub	1.39Å	1.44Å	Aromatic
C8	C16	sing	1.41Å	1.46Å	Aromatic
C8	C12	doub	1.42Å	1.40Å	Aromatic
C16	C15	doub	1.36Å	1.38Å	Aromatic
C15	C14	sing	1.39Å	1.44Å	Aromatic
C14	S	sing	1.76Å	1.75Å
C14	C13	doub	1.36Å	1.42Å	Aromatic
S	O3	sing	1.52Å	1.54Å
S	O1	doub	1.42Å	1.53Å
S	O2	doub	1.42Å	1.54Å
C13	C12	sing	1.40Å	1.39Å	Aromatic
C12	C11	sing	1.41Å	1.43Å	Aromatic
C11	C10	doub	1.36Å	1.39Å	Aromatic
C10	C9	sing	1.41Å	1.41Å	Aromatic
C9	N	sing	1.36Å	1.29Å
N	C6	doub	1.32Å	1.44Å
C6	C1	sing	1.48Å	1.42Å
C6	C5	sing	1.48Å	1.41Å
C1	C2	doub	1.32Å	1.39Å
C2	C3	sing	1.50Å	1.38Å
C3	C4	sing	1.50Å	1.43Å
C4	C5	doub	1.33Å	1.44Å
C7	H7	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
O3	H3	sing	0.97Å	0.95Å
C11	H11	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C1	H1	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C3	H31C	sing	1.09Å	1.10Å
C3	H32C	sing	1.09Å	1.10Å
C4	H4	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C7	C9	124.0°	119.4°
C7	C8	C16	124.6°	121.1°
C7	C8	C12	115.4°	119.5°
C8	C7	H7	118.1°	120.3°
C7	C9	C10	119.2°	120.5°
C7	C9	N	125.7°	119.8°
C9	C7	H7	118.0°	120.3°
C16	C8	C12	120.0°	119.4°
C8	C16	C15	122.4°	119.7°
C8	C16	H16	118.8°	120.2°
C8	C12	C13	119.0°	119.3°
C8	C12	C11	120.2°	119.7°
C16	C15	C14	115.3°	120.9°
C15	C16	H16	118.8°	120.2°
C16	C15	H15	122.4°	119.5°
C15	C14	S	118.0°	119.5°
C15	C14	C13	123.0°	121.0°
C14	C15	H15	122.3°	119.6°
S	C14	C13	119.0°	119.5°
C14	S	O3	109.7°	107.2°
C14	S	O1	106.3°	106.4°
C14	S	O2	111.8°	106.4°
C14	C13	C12	120.2°	119.7°
C14	C13	H13	119.9°	120.1°
O3	S	O1	103.1°	106.4°
O3	S	O2	115.3°	106.4°
S	O3	H3	109.5°	114.0°
O1	S	O2	109.9°	123.2°
C13	C12	C11	120.8°	121.0°
C12	C13	H13	119.9°	120.2°
C12	C11	C10	124.8°	120.1°
C12	C11	H11	117.6°	120.0°
C11	C10	C9	116.3°	120.8°
C10	C11	H11	117.6°	119.9°
C11	C10	H10	121.8°	119.6°
C10	C9	N	115.0°	119.7°
C9	C10	H10	121.9°	119.6°
C9	N	C6	124.6°	120.0°
N	C6	C1	123.5°	121.2°
N	C6	C5	124.1°	121.1°
C1	C6	C5	112.4°	117.7°
C6	C1	C2	128.1°	119.4°
C6	C1	H1	116.0°	120.3°
C6	C5	C4	121.1°	119.3°
C6	C5	H5	119.4°	120.3°
C1	C2	C3	118.8°	123.1°
C2	C1	H1	116.0°	120.3°
C1	C2	H2	120.6°	118.4°
C2	C3	C4	117.1°	113.0°
C3	C2	H2	120.6°	118.5°
C2	C3	H31C	107.0°	108.7°
C2	C3	H32C	105.2°	108.7°
C3	C4	C5	122.3°	123.1°
C4	C3	H31C	107.0°	108.8°
C4	C3	H32C	105.3°	108.8°
C3	C4	H4	118.8°	118.5°
C4	C5	H5	119.5°	120.4°
C5	C4	H4	118.9°	118.4°
H31C	C3	H32C	115.7°	108.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C7	C9	H7	180.0°	179.7°
C7	C8	C16	C12	179.6°	180.0°
C7	C8	C16	C15	176.7°	180.0°
C7	C8	C12	C13	179.2°	179.9°
C7	C8	C12	C11	3.8°	0.0°
C8	C7	C9	C10	1.1°	0.0°
C8	C7	C9	N	176.7°	180.0°
C7	C8	C16	H16	3.3°	0.0°
C9	C7	C8	C16	176.8°	180.0°
C9	C7	C8	C12	2.8°	0.0°
C7	C9	C10	C11	3.8°	0.0°
C7	C9	C10	N	176.1°	180.0°
C7	C9	N	C6	19.3°	134.9°
C7	C9	C10	H10	176.3°	180.0°
C8	C16	C15	H16	180.0°	180.0°
C8	C16	C15	C14	2.3°	0.0°
C16	C8	C12	C13	1.2°	0.1°
C16	C8	C12	C11	175.9°	180.0°
C16	C8	C7	H7	3.2°	0.3°
C8	C16	C15	H15	177.7°	180.0°
C12	C8	C16	C15	3.7°	0.0°
C8	C12	C13	C14	2.3°	0.1°
C8	C12	C13	C11	177.1°	179.9°
C8	C12	C11	C10	1.1°	0.0°
C12	C8	C7	H7	177.2°	179.7°
C12	C8	C16	H16	176.3°	180.0°
C8	C12	C13	H13	177.7°	179.9°
C8	C12	C11	H11	178.9°	180.0°
C16	C15	C14	H15	180.0°	179.9°
C16	C15	C14	S	179.8°	180.0°
C16	C15	C14	C13	1.4°	0.0°
C15	C14	S	C13	178.8°	180.0°
C15	C14	S	O3	34.1°	90.0°
C15	C14	S	O1	76.7°	156.5°
C15	C14	S	O2	163.4°	23.5°
C15	C14	C13	C12	3.8°	0.1°
C14	C15	C16	H16	177.7°	180.0°
C15	C14	C13	H13	176.2°	180.0°
C14	S	O3	O1	113.0°	113.5°
C14	S	O3	O2	127.3°	113.6°
C14	S	O1	O2	121.2°	123.0°
S	C14	C13	C12	177.4°	180.0°
S	C14	C15	H15	0.2°	0.0°
S	C14	C13	H13	2.6°	0.0°
C14	S	O3	H3	94.9°	180.0°
C13	C14	S	O3	144.7°	90.0°
C13	C14	S	O1	104.5°	23.5°
C13	C14	S	O2	15.5°	156.5°
C14	C13	C12	H13	180.0°	180.0°
C14	C13	C12	C11	179.4°	180.0°
C13	C14	C15	H15	178.6°	179.9°
O3	S	O1	O2	123.4°	122.9°
O1	S	O3	H3	152.2°	66.5°
O2	S	O3	H3	32.4°	66.4°
C13	C12	C11	C10	178.1°	179.9°
C13	C12	C11	H11	1.9°	0.1°
C12	C11	C10	H11	180.0°	180.0°
C12	C11	C10	C9	2.8°	0.0°
C11	C12	C13	H13	0.6°	0.0°
C12	C11	C10	H10	177.2°	179.9°
C11	C10	C9	H10	180.0°	179.9°
C11	C10	C9	N	179.8°	180.0°
C10	C9	N	C6	164.9°	45.1°
C10	C9	C7	H7	179.0°	179.8°
C9	C10	C11	H11	177.1°	180.0°
C9	N	C6	C1	155.9°	180.0°
C9	N	C6	C5	27.1°	0.2°
N	C9	C7	H7	3.3°	0.2°
N	C9	C10	H10	0.2°	0.0°
N	C6	C1	C5	177.4°	179.8°
N	C6	C1	C2	179.2°	163.4°
N	C6	C5	C4	179.1°	163.1°
N	C6	C1	H1	0.8°	16.6°
N	C6	C5	H5	0.9°	16.6°
C6	C1	C2	H1	180.0°	180.0°
C6	C1	C2	C3	0.8°	0.7°
C1	C6	C5	C4	3.6°	17.1°
C1	C6	C5	H5	176.4°	163.2°
C6	C1	C2	H2	179.2°	179.4°
C5	C6	C1	C2	1.9°	16.8°
C6	C5	C4	C3	4.6°	0.1°
C6	C5	C4	H5	180.0°	179.7°
C5	C6	C1	H1	178.1°	163.2°
C6	C5	C4	H4	175.4°	179.7°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	1.3°	16.7°
C1	C2	C3	H31C	118.6°	104.2°
C1	C2	C3	H32C	117.8°	137.6°
C2	C3	C4	H31C	120.0°	120.9°
C2	C3	C4	H32C	116.4°	120.9°
C2	C3	C4	C5	3.2°	16.4°
C3	C2	C1	H1	179.2°	179.3°
C2	C3	H31C	H32C	116.8°	118.2°
C2	C3	C4	H4	176.8°	163.4°
C3	C4	C5	H4	180.0°	179.8°
C3	C4	C5	H5	175.4°	179.6°
C4	C3	C2	H2	178.7°	163.4°
C4	C3	H31C	H32C	116.9°	118.3°
C5	C4	C3	H31C	116.8°	104.5°
C5	C4	C3	H32C	119.7°	137.3°
H16	C16	C15	H15	2.3°	0.0°
H11	C11	C10	H10	2.8°	0.0°
H1	C1	C2	H2	0.8°	0.6°
H5	C5	C4	H4	4.6°	0.6°
H2	C2	C3	H31C	61.3°	75.7°
H2	C2	C3	H32C	62.2°	42.4°
H31C	C3	C4	H4	63.2°	75.7°
H32C	C3	C4	H4	60.3°	42.5°

Definition date:	2009-07-27
Last modified:	2020-06-17
Release status:	REL
Processing site:	EBI
Derived from:	2WOS