AWD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F1	C10	sing	1.35Å	1.36Å
C11	C10	doub	1.38Å	1.37Å	Aromatic
C11	C12	sing	1.38Å	1.38Å	Aromatic
C10	C9	sing	1.38Å	1.37Å	Aromatic
C12	C7	doub	1.39Å	1.39Å	Aromatic
C9	C8	doub	1.38Å	1.39Å	Aromatic
C7	C8	sing	1.39Å	1.39Å	Aromatic
C7	N3	sing	1.40Å	1.42Å
N3	C6	sing	1.35Å	1.38Å
C4	C5	sing	1.53Å	1.51Å
C4	N2	sing	1.47Å	1.47Å
C5	N1	sing	1.47Å	1.50Å
C6	N2	sing	1.35Å	1.36Å
C6	O1	doub	1.22Å	1.24Å
N2	C3	sing	1.47Å	1.47Å
C3	C2	sing	1.53Å	1.51Å
N1	C1	sing	1.47Å	1.49Å
N1	C2	sing	1.47Å	1.50Å
N3	H2	sing	0.97Å	1.00Å
C4	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C8	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
C12	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F1	C10	C11	118.1°	119.9°
F1	C10	C9	119.2°	120.0°
C10	C11	C12	118.6°	120.1°
C11	C10	C9	122.7°	120.1°
C10	C11	H16	120.7°	120.0°
C11	C12	C7	120.7°	119.9°
C12	C11	H16	120.7°	120.0°
C11	C12	H17	119.6°	120.0°
C10	C9	C8	118.7°	120.0°
C10	C9	H15	120.7°	120.0°
C12	C7	C8	119.1°	120.0°
C12	C7	N3	119.4°	120.0°
C7	C12	H17	119.7°	120.1°
C9	C8	C7	120.3°	120.0°
C9	C8	H7	119.8°	120.0°
C8	C9	H15	120.7°	120.0°
C8	C7	N3	121.5°	120.0°
C7	C8	H7	119.9°	120.1°
C7	N3	C6	124.2°	120.0°
C7	N3	H2	117.9°	120.0°
N3	C6	N2	117.7°	120.0°
N3	C6	O1	121.3°	120.0°
C6	N3	H2	117.9°	120.0°
C5	C4	N2	113.0°	108.5°
C4	C5	N1	110.3°	109.4°
C5	C4	H3	108.6°	109.6°
C5	C4	H4	108.6°	109.6°
C4	C5	H5	109.3°	109.5°
C4	C5	H6	109.3°	109.5°
C4	N2	C6	125.0°	120.8°
C4	N2	C3	113.6°	118.3°
N2	C4	H3	108.6°	109.6°
N2	C4	H4	108.6°	109.6°
C5	N1	C1	111.3°	111.0°
C5	N1	C2	111.4°	111.3°
N1	C5	H5	109.3°	109.5°
N1	C5	H6	109.3°	109.5°
N2	C6	O1	121.0°	120.0°
C6	N2	C3	121.4°	120.9°
N2	C3	C2	113.9°	108.5°
N2	C3	H13	108.4°	109.7°
N2	C3	H14	108.4°	109.8°
C3	C2	N1	112.7°	109.3°
C3	C2	H11	108.7°	109.5°
C3	C2	H12	108.6°	109.5°
C2	C3	H13	108.4°	109.6°
C2	C3	H14	108.4°	109.6°
C1	N1	C2	112.8°	111.0°
N1	C1	H8	109.5°	109.4°
N1	C1	H9	109.5°	109.5°
N1	C1	H10	109.5°	109.5°
N1	C2	H11	108.6°	109.5°
N1	C2	H12	108.7°	109.5°
H3	C4	H4	109.5°	109.8°
H5	C5	H6	109.4°	109.5°
H8	C1	H9	109.5°	109.5°
H8	C1	H10	109.5°	109.5°
H9	C1	H10	109.4°	109.5°
H11	C2	H12	109.5°	109.5°
H13	C3	H14	109.4°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F1	C10	C11	C9	178.9°	179.5°
F1	C10	C11	C12	179.4°	179.7°
F1	C10	C9	C8	179.1°	180.0°
F1	C10	C9	H15	0.9°	0.0°
F1	C10	C11	H16	0.6°	0.5°
C10	C11	C12	H16	180.0°	179.2°
C10	C11	C12	C7	2.0°	0.5°
C11	C10	C9	C8	0.2°	0.5°
C11	C10	C9	H15	179.8°	179.5°
C10	C11	C12	H17	178.0°	179.9°
C12	C11	C10	C9	1.7°	0.8°
C11	C12	C7	H17	180.0°	179.5°
C11	C12	C7	C8	0.8°	0.1°
C11	C12	C7	N3	178.6°	179.7°
C10	C9	C8	H15	180.0°	180.0°
C10	C9	C8	C7	1.1°	0.0°
C10	C9	C8	H7	179.0°	180.0°
C9	C10	C11	H16	178.3°	180.0°
C12	C7	C8	C9	0.7°	0.3°
C12	C7	C8	N3	179.4°	179.7°
C12	C7	N3	C6	45.6°	35.9°
C12	C7	N3	H2	134.4°	144.0°
C12	C7	C8	H7	179.3°	179.7°
C7	C12	C11	H16	178.0°	179.7°
C9	C8	C7	H7	180.0°	180.0°
C9	C8	C7	N3	179.9°	180.0°
C8	C7	N3	C6	133.8°	143.8°
C8	C7	N3	H2	46.2°	36.3°
C7	C8	C9	H15	178.9°	180.0°
C8	C7	C12	H17	179.2°	179.4°
C7	N3	C6	H2	180.0°	179.9°
C7	N3	C6	N2	169.8°	175.3°
C7	N3	C6	O1	8.4°	4.6°
N3	C7	C8	H7	0.1°	0.0°
N3	C7	C12	H17	1.4°	0.3°
N3	C6	N2	C4	3.3°	175.0°
N3	C6	N2	O1	178.2°	179.9°
N3	C6	N2	C3	174.4°	5.1°
C5	C4	N2	H3	120.5°	119.7°
C5	C4	N2	H4	120.5°	119.7°
C4	C5	N1	H5	120.1°	119.9°
C4	C5	N1	H6	120.1°	120.0°
C5	C4	N2	C6	178.8°	128.9°
C5	C4	N2	C3	3.4°	51.2°
C4	C5	N1	C1	173.7°	172.7°
C4	C5	N1	C2	59.4°	63.1°
C5	C4	H3	H4	118.4°	120.5°
C4	C5	H5	H6	119.6°	120.1°
N2	C4	C5	N1	51.3°	53.8°
C4	N2	C6	C3	177.7°	179.9°
C4	N2	C6	O1	178.5°	4.9°
C4	N2	C3	C2	50.9°	51.2°
N2	C4	H3	H4	118.4°	120.5°
N2	C4	C5	H5	171.4°	66.1°
N2	C4	C5	H6	68.8°	173.8°
C4	N2	C3	H13	69.8°	68.5°
C4	N2	C3	H14	171.6°	171.0°
C5	N1	C2	C3	12.8°	63.1°
C5	N1	C1	C2	126.2°	124.3°
N1	C5	C4	H3	171.8°	173.5°
N1	C5	C4	H4	69.2°	65.9°
N1	C5	H5	H6	119.6°	120.1°
C5	N1	C1	H8	180.0°	175.7°
C5	N1	C1	H9	60.0°	55.7°
C5	N1	C1	H10	60.0°	64.3°
C5	N1	C2	H11	107.7°	177.0°
C5	N1	C2	H12	133.2°	56.9°
C6	N2	C3	C2	131.2°	128.9°
N2	C6	N3	H2	10.1°	4.8°
C6	N2	C4	H3	60.7°	9.2°
C6	N2	C4	H4	58.2°	111.4°
C6	N2	C3	H13	108.2°	111.4°
C6	N2	C3	H14	10.5°	9.1°
O1	C6	N2	C3	3.8°	175.0°
O1	C6	N3	H2	171.7°	175.3°
N2	C3	C2	H13	120.7°	119.8°
N2	C3	C2	H14	120.7°	119.9°
N2	C3	C2	N1	42.0°	53.8°
C3	N2	C4	H3	117.1°	170.9°
C3	N2	C4	H4	123.9°	68.5°
N2	C3	C2	H11	162.4°	173.8°
N2	C3	C2	H12	78.5°	66.1°
N2	C3	H13	H14	118.0°	120.6°
C3	C2	N1	C1	138.9°	172.8°
C3	C2	N1	H11	120.5°	120.0°
C3	C2	N1	H12	120.5°	119.9°
C3	C2	H11	H12	118.5°	120.1°
C2	C3	H13	H14	118.0°	120.3°
C1	N1	C5	H5	53.6°	67.3°
C1	N1	C5	H6	66.2°	52.8°
N1	C1	H8	H9	120.0°	120.0°
N1	C1	H8	H10	120.0°	120.0°
N1	C1	H9	H10	120.0°	120.0°
C1	N1	C2	H11	18.4°	52.8°
C1	N1	C2	H12	100.7°	67.3°
C2	N1	C5	H5	179.5°	56.9°
C2	N1	C5	H6	60.8°	176.9°
C2	N1	C1	H8	53.9°	60.0°
C2	N1	C1	H9	173.9°	180.0°
C2	N1	C1	H10	66.2°	60.0°
N1	C2	H11	H12	118.5°	120.1°
N1	C2	C3	H13	78.7°	65.9°
N1	C2	C3	H14	162.6°	173.8°
H3	C4	C5	H5	68.1°	53.6°
H3	C4	C5	H6	51.7°	66.5°
H4	C4	C5	H5	50.9°	174.2°
H4	C4	C5	H6	170.6°	54.1°
H7	C8	C9	H15	1.1°	0.0°
H8	C1	H9	H10	120.0°	120.0°
H11	C2	C3	H13	41.8°	54.0°
H11	C2	C3	H14	76.9°	66.3°
H12	C2	C3	H13	160.8°	174.1°
H12	C2	C3	H14	42.1°	53.8°
H16	C11	C12	H17	2.0°	0.8°

Release date:	2018-08-08
Definition date:	2017-07-28
Last modified:	2018-08-03
Release status:	REL
Processing site:	RCSB
Derived from:	5Q1M