AWY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C13	doub	1.36Å	1.37Å	Aromatic
C14	C9	sing	1.41Å	1.42Å	Aromatic
C8	C9	doub	1.41Å	1.42Å	Aromatic
C8	C7	sing	1.36Å	1.36Å	Aromatic
C13	C12	sing	1.40Å	1.42Å	Aromatic
C9	C10	sing	1.42Å	1.43Å	Aromatic
C7	C6	doub	1.39Å	1.41Å	Aromatic
C12	O2	sing	1.36Å	1.37Å
C12	C11	doub	1.37Å	1.37Å	Aromatic
O2	C15	sing	1.43Å	1.42Å
C10	C11	sing	1.41Å	1.43Å	Aromatic
C10	C5	doub	1.40Å	1.44Å	Aromatic
C6	C5	sing	1.36Å	1.38Å	Aromatic
C5	C4	sing	1.51Å	1.52Å
C4	C3	sing	1.53Å	1.52Å
C3	N1	sing	1.47Å	1.46Å
N1	C2	sing	1.35Å	1.34Å
C2	C1	sing	1.51Å	1.50Å
C2	O1	doub	1.21Å	1.23Å
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C13	H7	sing	1.08Å	1.08Å
C15	H8	sing	1.09Å	1.10Å
C15	H9	sing	1.09Å	1.10Å
C15	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.09Å	1.10Å
C3	H15	sing	1.09Å	1.10Å
C11	H16	sing	1.08Å	1.08Å
C14	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	C14	C9	121.2°	119.7°
C14	C13	C12	120.0°	121.0°
C14	C13	H7	120.0°	119.5°
C13	C14	H17	119.4°	120.2°
C14	C9	C8	122.1°	121.2°
C14	C9	C10	118.9°	119.5°
C9	C14	H17	119.4°	120.1°
C9	C8	C7	120.6°	119.7°
C8	C9	C10	119.0°	119.3°
C9	C8	H6	119.7°	120.1°
C8	C7	C6	120.3°	121.0°
C8	C7	H5	119.9°	119.5°
C7	C8	H6	119.7°	120.2°
C13	C12	O2	115.1°	119.6°
C13	C12	C11	120.6°	120.9°
C12	C13	H7	120.0°	119.5°
C9	C10	C11	118.5°	119.3°
C9	C10	C5	119.8°	119.4°
C7	C6	C5	122.1°	120.9°
C7	C6	H4	119.0°	119.5°
C6	C7	H5	119.8°	119.5°
O2	C12	C11	124.3°	119.5°
C12	O2	C15	118.4°	117.0°
C12	C11	C10	120.8°	119.6°
C12	C11	H16	119.6°	120.2°
O2	C15	H8	109.5°	109.5°
O2	C15	H9	109.5°	109.5°
O2	C15	H10	109.4°	109.5°
C11	C10	C5	121.7°	121.2°
C10	C11	H16	119.6°	120.2°
C10	C5	C6	118.2°	119.6°
C10	C5	C4	119.4°	120.2°
C6	C5	C4	122.4°	120.1°
C5	C6	H4	118.9°	119.5°
C5	C4	C3	116.7°	109.5°
C5	C4	H2	107.6°	109.5°
C5	C4	H3	107.7°	109.5°
C4	C3	N1	113.5°	109.5°
C3	C4	H2	107.6°	109.5°
C3	C4	H3	107.6°	109.5°
C4	C3	H14	108.4°	109.5°
C4	C3	H15	108.5°	109.5°
C3	N1	C2	122.0°	120.0°
C3	N1	H1	119.0°	120.0°
N1	C3	H14	108.5°	109.5°
N1	C3	H15	108.5°	109.5°
N1	C2	C1	116.9°	120.0°
N1	C2	O1	121.4°	120.0°
C2	N1	H1	119.0°	120.0°
C1	C2	O1	121.6°	120.0°
C2	C1	H11	109.5°	109.5°
C2	C1	H12	109.5°	109.5°
C2	C1	H13	109.5°	109.5°
H2	C4	H3	109.5°	109.5°
H8	C15	H9	109.5°	109.4°
H8	C15	H10	109.5°	109.5°
H9	C15	H10	109.5°	109.5°
H11	C1	H12	109.5°	109.5°
H11	C1	H13	109.5°	109.5°
H12	C1	H13	109.5°	109.5°
H14	C3	H15	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C14	C9	H17	180.0°	179.3°
C13	C14	C9	C8	179.6°	179.2°
C14	C13	C12	H7	180.0°	179.9°
C13	C14	C9	C10	0.7°	0.5°
C14	C13	C12	O2	179.8°	180.0°
C14	C13	C12	C11	2.0°	0.5°
C14	C9	C8	C10	179.7°	179.7°
C14	C9	C8	C7	179.8°	179.9°
C9	C14	C13	C12	1.5°	0.8°
C14	C9	C10	C11	0.4°	0.0°
C14	C9	C10	C5	179.8°	179.8°
C14	C9	C8	H6	0.2°	0.3°
C9	C14	C13	H7	178.5°	179.2°
C9	C8	C7	H6	180.0°	179.8°
C9	C8	C7	C6	0.0°	0.0°
C8	C9	C10	C11	180.0°	179.7°
C8	C9	C10	C5	0.1°	0.5°
C9	C8	C7	H5	180.0°	180.0°
C8	C9	C14	H17	0.3°	0.1°
C7	C8	C9	C10	0.2°	0.3°
C8	C7	C6	H5	180.0°	180.0°
C8	C7	C6	C5	0.1°	0.1°
C8	C7	C6	H4	179.9°	180.0°
C13	C12	O2	C11	177.7°	179.5°
C13	C12	O2	C15	154.9°	0.0°
C13	C12	C11	C10	1.7°	0.0°
C13	C12	C11	H16	178.3°	180.0°
C12	C13	C14	H17	178.5°	180.0°
C9	C10	C11	C12	0.9°	0.3°
C9	C10	C11	C5	179.8°	179.8°
C9	C10	C5	C6	0.0°	0.5°
C9	C10	C5	C4	179.7°	179.7°
C10	C9	C8	H6	179.8°	180.0°
C9	C10	C11	H16	179.1°	179.7°
C10	C9	C14	H17	179.3°	179.8°
C7	C6	C5	C10	0.1°	0.2°
C7	C6	C5	H4	180.0°	180.0°
C7	C6	C5	C4	179.8°	180.0°
C6	C7	C8	H6	180.0°	179.7°
O2	C12	C11	C10	179.3°	179.5°
O2	C12	C13	H7	0.2°	0.1°
C12	O2	C15	H8	180.0°	60.0°
C12	O2	C15	H9	60.0°	179.9°
C12	O2	C15	H10	60.0°	60.0°
O2	C12	C11	H16	0.7°	0.5°
C11	C12	O2	C15	27.4°	179.5°
C12	C11	C10	H16	180.0°	180.0°
C12	C11	C10	C5	179.3°	179.9°
C11	C12	C13	H7	178.0°	179.4°
O2	C15	H8	H9	120.0°	120.0°
O2	C15	H8	H10	120.0°	120.0°
O2	C15	H9	H10	120.0°	120.1°
C11	C10	C5	C6	179.8°	179.8°
C11	C10	C5	C4	0.1°	0.0°
C10	C5	C6	C4	179.7°	179.8°
C10	C5	C4	C3	179.3°	84.7°
C10	C5	C4	H2	59.7°	155.2°
C10	C5	C4	H3	58.3°	35.2°
C10	C5	C6	H4	179.8°	179.8°
C5	C10	C11	H16	0.7°	0.1°
C6	C5	C4	C3	0.4°	95.1°
C6	C5	C4	H2	120.7°	25.0°
C6	C5	C4	H3	121.4°	145.0°
C5	C6	C7	H5	179.9°	180.0°
C5	C4	C3	H2	121.0°	120.0°
C5	C4	C3	H3	121.1°	120.0°
C5	C4	C3	N1	70.0°	180.0°
C5	C4	H2	H3	116.7°	120.0°
C4	C5	C6	H4	0.2°	0.0°
C5	C4	C3	H14	169.4°	60.0°
C5	C4	C3	H15	50.6°	60.0°
C4	C3	N1	H14	120.6°	120.0°
C4	C3	N1	H15	120.6°	120.1°
C4	C3	N1	C2	168.9°	180.0°
C4	C3	N1	H1	11.1°	0.3°
C3	C4	H2	H3	116.7°	120.0°
C4	C3	H14	H15	118.2°	120.0°
C3	N1	C2	H1	180.0°	179.7°
C3	N1	C2	C1	173.2°	179.7°
C3	N1	C2	O1	6.0°	0.3°
N1	C3	C4	H2	51.0°	60.0°
N1	C3	C4	H3	168.9°	60.0°
N1	C3	H14	H15	118.2°	120.0°
N1	C2	C1	O1	179.2°	180.0°
N1	C2	C1	H11	179.2°	0.0°
N1	C2	C1	H12	59.2°	120.0°
N1	C2	C1	H13	60.8°	120.0°
C2	N1	C3	H14	70.5°	60.0°
C2	N1	C3	H15	48.3°	60.0°
C1	C2	N1	H1	6.8°	0.0°
C2	C1	H11	H12	120.0°	120.0°
C2	C1	H11	H13	120.0°	120.0°
C2	C1	H12	H13	120.0°	120.0°
O1	C2	N1	H1	174.0°	180.0°
O1	C2	C1	H11	0.0°	180.0°
O1	C2	C1	H12	120.0°	60.0°
O1	C2	C1	H13	120.0°	60.0°
H1	N1	C3	H14	109.5°	120.3°
H1	N1	C3	H15	131.7°	119.8°
H2	C4	C3	H14	69.6°	60.0°
H2	C4	C3	H15	171.6°	180.0°
H3	C4	C3	H14	48.3°	180.0°
H3	C4	C3	H15	70.5°	60.0°
H4	C6	C7	H5	0.1°	0.0°
H5	C7	C8	H6	0.0°	0.2°
H7	C13	C14	H17	1.5°	0.1°
H8	C15	H9	H10	120.0°	120.0°
H11	C1	H12	H13	120.0°	120.0°

Release date:	2018-08-08
Definition date:	2017-07-28
Last modified:	2018-08-03
Release status:	REL
Processing site:	RCSB
Derived from:	5Q1S