AWM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	C2	sing	1.53Å	1.51Å
C3	N2	sing	1.47Å	1.47Å
C2	N1	sing	1.47Å	1.49Å
N1	C1	sing	1.47Å	1.49Å
N1	C5	sing	1.47Å	1.49Å
S1	C6	sing	1.76Å	1.76Å	Aromatic
S1	C12	sing	1.76Å	1.75Å	Aromatic
N2	C6	sing	1.38Å	1.37Å
N2	C4	sing	1.47Å	1.47Å
C6	N3	doub	1.29Å	1.31Å	Aromatic
C4	C5	sing	1.53Å	1.51Å
C12	C11	doub	1.39Å	1.40Å	Aromatic
C12	C7	sing	1.40Å	1.40Å	Aromatic
C11	C10	sing	1.38Å	1.38Å	Aromatic
N3	C7	sing	1.35Å	1.39Å	Aromatic
C7	C8	doub	1.41Å	1.40Å	Aromatic
C10	C9	doub	1.39Å	1.39Å	Aromatic
C8	C9	sing	1.37Å	1.38Å	Aromatic
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.08Å	1.08Å
C10	H7	sing	1.08Å	1.08Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C2	H11	sing	1.09Å	1.10Å
C2	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.08Å	1.08Å
C11	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C3	N2	112.0°	109.4°
C3	C2	N1	111.1°	109.4°
C3	C2	H11	109.0°	109.6°
C3	C2	H12	109.0°	109.5°
C2	C3	H13	108.8°	109.4°
C2	C3	H14	108.8°	109.5°
C3	N2	C6	122.4°	111.0°
C3	N2	C4	117.2°	110.9°
N2	C3	H13	108.8°	109.5°
N2	C3	H14	108.8°	109.5°
C2	N1	C1	110.7°	111.0°
C2	N1	C5	109.0°	110.9°
N1	C2	H11	109.0°	109.5°
N1	C2	H12	109.1°	109.4°
C1	N1	C5	110.4°	111.0°
N1	C1	H8	109.5°	109.5°
N1	C1	H9	109.4°	109.5°
N1	C1	H10	109.5°	109.4°
N1	C5	C4	111.5°	109.3°
N1	C5	H4	109.0°	109.5°
N1	C5	H5	109.0°	109.4°
C6	S1	C12	88.8°	90.5°
S1	C6	N2	120.8°	124.8°
S1	C6	N3	115.6°	110.3°
S1	C12	C11	129.2°	131.2°
S1	C12	C7	109.6°	108.4°
C6	N2	C4	119.8°	111.0°
N2	C6	N3	123.5°	124.9°
N2	C4	C5	111.5°	109.4°
N2	C4	H2	108.9°	109.5°
N2	C4	H3	108.9°	109.5°
C6	N3	C7	110.9°	117.9°
C5	C4	H2	109.0°	109.4°
C5	C4	H3	108.9°	109.5°
C4	C5	H4	108.9°	109.6°
C4	C5	H5	108.9°	109.5°
C11	C12	C7	121.2°	120.4°
C12	C11	C10	118.4°	120.2°
C12	C11	H16	120.8°	119.9°
C12	C7	N3	115.0°	112.9°
C12	C7	C8	119.5°	118.4°
C11	C10	C9	120.5°	120.0°
C11	C10	H7	119.8°	120.0°
C10	C11	H16	120.9°	119.9°
N3	C7	C8	125.4°	128.7°
C7	C8	C9	118.6°	120.4°
C7	C8	H6	120.7°	119.8°
C10	C9	C8	121.7°	120.6°
C9	C10	H7	119.7°	120.0°
C10	C9	H15	119.2°	119.7°
C9	C8	H6	120.7°	119.8°
C8	C9	H15	119.2°	119.7°
H2	C4	H3	109.5°	109.5°
H4	C5	H5	109.5°	109.5°
H8	C1	H9	109.5°	109.5°
H8	C1	H10	109.5°	109.4°
H9	C1	H10	109.5°	109.5°
H11	C2	H12	109.5°	109.4°
H13	C3	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C3	N2	H13	120.4°	119.9°
C2	C3	N2	H14	120.4°	120.0°
C3	C2	N1	H11	120.2°	120.1°
C3	C2	N1	H12	120.3°	120.0°
C3	C2	N1	C1	178.7°	176.8°
C3	C2	N1	C5	59.7°	59.3°
C2	C3	N2	C6	144.3°	176.8°
C2	C3	N2	C4	45.1°	59.3°
C3	C2	H11	H12	119.2°	120.1°
C2	C3	H13	H14	118.8°	120.0°
N2	C3	C2	N1	51.7°	58.3°
C3	N2	C6	S1	7.8°	0.0°
C3	N2	C6	C4	170.4°	123.8°
C3	N2	C6	N3	171.3°	180.0°
C3	N2	C4	C5	45.1°	59.4°
C3	N2	C4	H2	75.2°	179.3°
C3	N2	C4	H3	165.4°	60.7°
N2	C3	C2	H11	68.6°	178.4°
N2	C3	C2	H12	171.9°	61.6°
N2	C3	H13	H14	118.8°	120.1°
C2	N1	C1	C5	120.8°	123.8°
C2	N1	C5	C4	60.1°	59.3°
C2	N1	C5	H4	60.1°	60.7°
C2	N1	C5	H5	179.6°	179.2°
C2	N1	C1	H8	180.0°	63.9°
C2	N1	C1	H9	60.0°	56.2°
C2	N1	C1	H10	60.0°	176.2°
N1	C2	H11	H12	119.2°	119.9°
N1	C2	C3	H13	68.7°	61.6°
N1	C2	C3	H14	172.0°	178.3°
C1	N1	C5	C4	178.0°	176.8°
C1	N1	C5	H4	61.7°	63.1°
C1	N1	C5	H5	57.7°	56.9°
N1	C1	H8	H9	120.0°	120.1°
N1	C1	H8	H10	120.0°	119.9°
N1	C1	H9	H10	120.0°	120.0°
C1	N1	C2	H11	61.1°	56.8°
C1	N1	C2	H12	58.4°	63.2°
N1	C5	C4	N2	52.0°	58.4°
N1	C5	C4	H4	120.3°	120.0°
N1	C5	C4	H5	120.3°	119.9°
N1	C5	C4	H2	68.3°	178.4°
N1	C5	C4	H3	172.3°	61.6°
N1	C5	H4	H5	119.1°	120.0°
C5	N1	C1	H8	59.2°	59.9°
C5	N1	C1	H9	60.8°	180.0°
C5	N1	C1	H10	179.2°	60.0°
C5	N1	C2	H11	60.5°	179.4°
C5	N1	C2	H12	180.0°	60.7°
S1	C6	N2	N3	179.1°	179.9°
S1	C6	N2	C4	178.2°	123.8°
C6	S1	C12	C11	179.8°	180.0°
C6	S1	C12	C7	0.4°	0.0°
S1	C6	N3	C7	0.2°	0.0°
C12	S1	C6	N2	178.9°	180.0°
C12	S1	C6	N3	0.3°	0.0°
S1	C12	C11	C7	179.9°	180.0°
S1	C12	C11	C10	178.6°	179.9°
S1	C12	C7	N3	0.3°	0.0°
S1	C12	C7	C8	179.8°	180.0°
S1	C12	C11	H16	1.4°	0.0°
C6	N2	C4	C5	144.0°	176.8°
N2	C6	N3	C7	179.0°	180.0°
C6	N2	C4	H2	95.6°	56.9°
C6	N2	C4	H3	23.7°	63.2°
C6	N2	C3	H13	95.3°	63.3°
C6	N2	C3	H14	23.9°	56.8°
C4	N2	C6	N3	0.9°	56.2°
N2	C4	C5	H2	120.3°	119.9°
N2	C4	C5	H3	120.3°	120.0°
N2	C4	H2	H3	119.0°	120.1°
N2	C4	C5	H4	68.2°	61.6°
N2	C4	C5	H5	172.4°	178.3°
C4	N2	C3	H13	75.2°	60.6°
C4	N2	C3	H14	165.5°	179.3°
C6	N3	C7	C12	0.1°	0.0°
C6	N3	C7	C8	179.9°	180.0°
C5	C4	H2	H3	119.1°	120.1°
C4	C5	H4	H5	119.0°	120.1°
C12	C11	C10	H16	180.0°	179.9°
C11	C12	C7	N3	179.7°	180.0°
C11	C12	C7	C8	0.1°	0.0°
C12	C11	C10	C9	4.2°	0.1°
C12	C11	C10	H7	175.8°	180.0°
C7	C12	C11	C10	1.6°	0.1°
C12	C7	N3	C8	179.8°	180.0°
C12	C7	C8	C9	0.9°	0.0°
C12	C7	C8	H6	179.1°	180.0°
C7	C12	C11	H16	178.4°	179.9°
C11	C10	C9	H7	180.0°	179.9°
C11	C10	C9	C8	5.3°	0.1°
C11	C10	C9	H15	174.7°	180.0°
N3	C7	C8	C9	179.3°	180.0°
N3	C7	C8	H6	0.7°	0.0°
C7	C8	C9	C10	3.6°	0.0°
C7	C8	C9	H6	180.0°	180.0°
C7	C8	C9	H15	176.4°	180.0°
C10	C9	C8	H15	180.0°	179.9°
C10	C9	C8	H6	176.4°	179.9°
C9	C10	C11	H16	175.8°	180.0°
C8	C9	C10	H7	174.7°	180.0°
H2	C4	C5	H4	171.5°	58.4°
H2	C4	C5	H5	52.1°	61.7°
H3	C4	C5	H4	52.1°	178.4°
H3	C4	C5	H5	67.3°	58.3°
H6	C8	C9	H15	3.6°	0.0°
H7	C10	C9	H15	5.3°	0.1°
H7	C10	C11	H16	4.2°	0.1°
H8	C1	H9	H10	120.0°	120.0°
H11	C2	C3	H13	171.0°	58.4°
H11	C2	C3	H14	51.8°	61.6°
H12	C2	C3	H13	51.5°	178.5°
H12	C2	C3	H14	67.7°	58.4°

Release date:	2018-08-08
Definition date:	2017-07-28
Last modified:	2018-08-03
Release status:	REL
Processing site:	RCSB
Derived from:	5Q1O