2AN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.45Å	Aromatic
C1	N	sing	1.39Å	1.39Å
C1	C10	sing	1.41Å	1.45Å	Aromatic
C2	C3	sing	1.39Å	1.40Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C3	C4	doub	1.36Å	1.42Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C4	C5	sing	1.41Å	1.40Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	C6	doub	1.41Å	1.43Å	Aromatic
C5	C10	sing	1.42Å	1.48Å	Aromatic
C6	C7	sing	1.36Å	1.40Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C7	C8	doub	1.39Å	1.41Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	C9	sing	1.36Å	1.42Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
N	C11	sing	1.40Å	1.40Å
N	HN	sing	0.97Å	1.00Å
S	C9	sing	1.76Å	1.45Å
S	O1	doub	1.42Å	1.74Å
S	O2	doub	1.42Å	1.80Å
S	O3	sing	1.52Å	1.79Å
C9	C10	doub	1.40Å	1.46Å	Aromatic
C11	C12	doub	1.39Å	1.44Å	Aromatic
C11	C16	sing	1.39Å	1.44Å	Aromatic
C12	C13	sing	1.38Å	1.44Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C13	C14	doub	1.38Å	1.43Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C14	C15	sing	1.38Å	1.40Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
C15	C16	doub	1.38Å	1.43Å	Aromatic
C15	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
O3	HO3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	N	118.0°	120.3°
C2	C1	C10	118.5°	119.4°
C1	C2	C3	122.8°	120.8°
C1	C2	H2	118.6°	119.6°
N	C1	C10	123.5°	120.3°
C1	N	C11	128.2°	120.0°
C1	N	HN	115.9°	120.0°
C1	C10	C5	117.1°	119.3°
C1	C10	C9	124.7°	121.3°
C3	C2	H2	118.6°	119.6°
C2	C3	C4	119.3°	121.1°
C2	C3	H3	120.3°	119.5°
C4	C3	H3	120.3°	119.4°
C3	C4	C5	120.5°	119.9°
C3	C4	H4	119.7°	120.0°
C5	C4	H4	119.8°	120.1°
C4	C5	C6	117.5°	121.1°
C4	C5	C10	121.7°	119.5°
C6	C5	C10	120.8°	119.4°
C5	C6	C7	119.6°	119.6°
C5	C6	H6	120.2°	120.2°
C5	C10	C9	118.2°	119.4°
C7	C6	H6	120.2°	120.2°
C6	C7	C8	120.2°	121.0°
C6	C7	H7	119.9°	119.6°
C8	C7	H7	119.9°	119.5°
C7	C8	C9	123.4°	121.0°
C7	C8	H8	118.3°	119.5°
C9	C8	H8	118.3°	119.5°
C8	C9	S	112.5°	120.2°
C8	C9	C10	117.7°	119.7°
C11	N	HN	115.9°	120.0°
N	C11	C12	118.6°	120.0°
N	C11	C16	123.6°	120.1°
C9	S	O1	111.3°	106.4°
C9	S	O2	107.4°	106.4°
C9	S	O3	109.0°	107.2°
S	C9	C10	129.8°	120.1°
O1	S	O2	109.5°	123.2°
O1	S	O3	110.7°	106.4°
O2	S	O3	108.8°	106.4°
S	O3	HO3	109.5°	114.0°
C12	C11	C16	117.7°	119.9°
C11	C12	C13	120.2°	119.9°
C11	C12	H12	119.9°	120.1°
C11	C16	C15	121.2°	120.0°
C11	C16	H16	119.4°	120.0°
C13	C12	H12	119.9°	120.0°
C12	C13	C14	120.7°	120.1°
C12	C13	H13	119.6°	119.9°
C14	C13	H13	119.6°	120.0°
C13	C14	C15	119.0°	120.2°
C13	C14	H14	120.5°	119.9°
C15	C14	H14	120.5°	119.9°
C14	C15	C16	121.2°	120.0°
C14	C15	H15	119.4°	120.0°
C16	C15	H15	119.4°	120.0°
C15	C16	H16	119.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	N	C10	179.8°	179.8°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	0.0°	0.1°
C1	C2	C3	H3	180.0°	180.0°
C2	C1	C10	C5	0.1°	0.4°
C2	C1	N	C11	31.8°	52.7°
C2	C1	N	HN	148.1°	127.4°
C2	C1	C10	C9	179.2°	179.7°
N	C1	C2	C3	180.0°	179.9°
N	C1	C2	H2	0.0°	0.0°
N	C1	C10	C5	179.9°	179.8°
C1	N	C11	HN	180.0°	179.9°
N	C1	C10	C9	0.7°	0.5°
C1	N	C11	C12	157.2°	172.4°
C1	N	C11	C16	26.3°	7.8°
C10	C1	C2	C3	0.2°	0.1°
C10	C1	C2	H2	179.9°	179.8°
C1	C10	C5	C4	0.1°	0.5°
C1	C10	C5	C6	179.8°	179.8°
C1	C10	C5	C9	179.3°	179.3°
C1	C10	C9	C8	180.0°	179.8°
C10	C1	N	C11	148.3°	127.5°
C10	C1	N	HN	31.7°	52.4°
C1	C10	C9	S	0.1°	0.4°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.2°	0.0°
C2	C3	C4	H4	179.8°	179.9°
H2	C2	C3	C4	180.0°	180.0°
H2	C2	C3	H3	0.0°	0.0°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C6	179.7°	179.9°
C3	C4	C5	C10	0.3°	0.3°
H3	C3	C4	C5	179.8°	180.0°
H3	C3	C4	H4	0.2°	0.1°
C4	C5	C6	C10	179.9°	179.7°
C4	C5	C6	C7	180.0°	179.9°
C4	C5	C6	H6	0.0°	0.0°
C4	C5	C10	C9	179.4°	179.8°
H4	C4	C5	C6	0.3°	0.0°
H4	C4	C5	C10	179.8°	179.7°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C8	0.4°	0.0°
C5	C6	C7	H7	179.6°	180.0°
C6	C5	C10	C9	0.5°	0.5°
C10	C5	C6	C7	0.1°	0.3°
C10	C5	C6	H6	179.9°	179.7°
C5	C10	C9	C8	0.7°	0.5°
C5	C10	C9	S	179.2°	179.7°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C9	0.2°	0.0°
C6	C7	C8	H8	179.8°	180.0°
H6	C6	C7	C8	179.6°	180.0°
H6	C6	C7	H7	0.4°	0.1°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	S	179.5°	180.0°
C7	C8	C9	C10	0.4°	0.2°
H7	C7	C8	C9	179.8°	180.0°
H7	C7	C8	H8	0.2°	0.0°
C8	C9	S	C10	179.9°	179.8°
C8	C9	S	O1	125.1°	121.7°
C8	C9	S	O2	5.2°	105.3°
C8	C9	S	O3	112.5°	8.2°
H8	C8	C9	S	0.5°	0.0°
H8	C8	C9	C10	179.6°	179.7°
N	C11	C12	C16	176.8°	179.8°
N	C11	C12	C13	176.2°	180.0°
N	C11	C12	H12	3.8°	0.1°
N	C11	C16	C15	176.6°	179.8°
N	C11	C16	H16	3.4°	0.1°
HN	N	C11	C12	22.8°	7.6°
HN	N	C11	C16	153.8°	172.1°
C9	S	O1	O2	118.6°	123.0°
C9	S	O1	O3	121.4°	114.1°
C9	S	O2	O3	117.9°	114.1°
C9	S	O3	HO3	122.7°	179.9°
O1	S	O2	O3	121.1°	123.0°
O1	S	C9	C10	54.8°	58.5°
O1	S	O3	HO3	0.0°	66.5°
O2	S	C9	C10	174.7°	74.5°
O2	S	O3	HO3	120.4°	66.4°
O3	S	C9	C10	67.6°	172.0°
C11	C12	C13	H12	180.0°	179.9°
C11	C12	C13	C14	0.6°	0.0°
C11	C12	C13	H13	179.4°	180.0°
C12	C11	C16	C15	0.0°	0.5°
C12	C11	C16	H16	180.0°	179.7°
C16	C11	C12	C13	0.6°	0.2°
C16	C11	C12	H12	179.4°	179.8°
C11	C16	C15	C14	0.7°	0.5°
C11	C16	C15	H16	180.0°	179.8°
C11	C16	C15	H15	179.3°	179.8°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	C15	0.1°	0.1°
C12	C13	C14	H14	179.9°	179.9°
H12	C12	C13	C14	179.4°	180.0°
H12	C12	C13	H13	0.6°	0.0°
C13	C14	C15	H14	180.0°	179.9°
C13	C14	C15	C16	0.7°	0.3°
C13	C14	C15	H15	179.3°	180.0°
H13	C13	C14	C15	179.9°	179.9°
H13	C13	C14	H14	0.1°	0.0°
C14	C15	C16	H15	180.0°	179.7°
C14	C15	C16	H16	179.3°	179.7°
H14	C14	C15	C16	179.3°	179.8°
H14	C14	C15	H15	0.8°	0.1°
H15	C15	C16	H16	0.7°	0.0°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1EYN