73H

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F10	C3	sing	1.35Å	1.15Å
C4	C3	doub	1.39Å	1.35Å	Aromatic
C4	C5	sing	1.38Å	1.39Å	Aromatic
C3	C2	sing	1.38Å	1.41Å	Aromatic
C5	C6	doub	1.39Å	1.32Å	Aromatic
C2	C1	doub	1.39Å	1.35Å	Aromatic
C19	C20	doub	1.38Å	1.39Å	Aromatic
C19	C18	sing	1.38Å	1.41Å	Aromatic
C20	C15	sing	1.38Å	1.42Å	Aromatic
C6	C1	sing	1.40Å	1.37Å	Aromatic
C6	N7	sing	1.39Å	1.33Å
C1	C9	sing	1.47Å	1.41Å
C18	C17	doub	1.38Å	1.39Å	Aromatic
N7	C13	sing	1.46Å	1.45Å
N7	C8	sing	1.34Å	1.33Å
C13	C14	sing	1.53Å	1.47Å
C15	C14	sing	1.51Å	1.46Å
C15	C16	doub	1.38Å	1.40Å	Aromatic
C9	O12	doub	1.21Å	1.40Å
C9	C8	sing	1.50Å	1.41Å
C8	O11	doub	1.21Å	1.22Å
C17	C16	sing	1.38Å	1.40Å	Aromatic
C2	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å
C14	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C16	H10	sing	1.08Å	1.08Å
C17	H11	sing	1.08Å	1.08Å
C18	H12	sing	1.08Å	1.08Å
C19	H13	sing	1.08Å	1.08Å
C20	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F10	C3	C4	116.6°	120.0°
F10	C3	C2	123.1°	119.9°
C3	C4	C5	119.4°	120.7°
C4	C3	C2	120.3°	120.0°
C3	C4	H4	120.3°	119.6°
C4	C5	C6	120.5°	120.3°
C5	C4	H4	120.3°	119.7°
C4	C5	H5	119.8°	119.9°
C3	C2	C1	117.9°	119.7°
C3	C2	H3	121.1°	120.2°
C5	C6	C1	120.6°	119.0°
C5	C6	N7	127.7°	131.4°
C6	C5	H5	119.8°	119.8°
C2	C1	C6	121.4°	120.4°
C2	C1	C9	133.0°	133.0°
C1	C2	H3	121.1°	120.2°
C20	C19	C18	118.3°	120.0°
C19	C20	C15	121.9°	120.0°
C20	C19	H13	120.8°	120.0°
C19	C20	H14	119.1°	120.0°
C19	C18	C17	120.3°	120.0°
C19	C18	H12	119.8°	120.0°
C18	C19	H13	120.9°	120.0°
C20	C15	C14	119.3°	120.0°
C20	C15	C16	118.8°	120.0°
C15	C20	H14	119.1°	120.1°
C1	C6	N7	111.6°	109.6°
C6	C1	C9	105.5°	106.6°
C6	N7	C13	127.8°	124.3°
C6	N7	C8	107.1°	111.5°
C1	C9	O12	117.8°	127.6°
C1	C9	C8	104.0°	104.8°
C18	C17	C16	121.0°	120.0°
C18	C17	H11	119.5°	120.0°
C17	C18	H12	119.9°	120.0°
C13	N7	C8	123.9°	124.3°
N7	C13	C14	109.0°	109.5°
N7	C13	H6	109.6°	109.5°
N7	C13	H7	109.6°	109.5°
N7	C8	C9	110.0°	107.5°
N7	C8	O11	123.9°	126.3°
C13	C14	C15	108.1°	109.5°
C14	C13	H6	109.6°	109.4°
C14	C13	H7	109.6°	109.5°
C13	C14	H8	109.8°	109.5°
C13	C14	H9	109.8°	109.5°
C14	C15	C16	121.9°	120.0°
C15	C14	H8	109.8°	109.5°
C15	C14	H9	109.8°	109.4°
C15	C16	C17	119.7°	120.0°
C15	C16	H10	120.2°	120.0°
O12	C9	C8	115.5°	127.6°
C9	C8	O11	125.4°	126.2°
C17	C16	H10	120.2°	120.0°
C16	C17	H11	119.5°	120.0°
H6	C13	H7	109.5°	109.4°
H8	C14	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F10	C3	C4	C2	179.2°	179.9°
F10	C3	C4	C5	179.5°	180.0°
F10	C3	C2	C1	179.6°	179.9°
F10	C3	C2	H3	0.4°	0.0°
F10	C3	C4	H4	0.5°	0.0°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	1.2°	0.0°
C4	C3	C2	C1	0.5°	0.0°
C4	C3	C2	H3	179.5°	180.0°
C3	C4	C5	H5	178.8°	180.0°
C5	C4	C3	C2	0.3°	0.0°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	C1	2.1°	0.0°
C4	C5	C6	N7	177.3°	179.6°
C3	C2	C1	H3	180.0°	180.0°
C3	C2	C1	C6	1.4°	0.1°
C3	C2	C1	C9	176.2°	180.0°
C2	C3	C4	H4	179.6°	180.0°
C5	C6	C1	C2	2.3°	0.1°
C5	C6	C1	N7	175.9°	179.6°
C5	C6	C1	C9	178.4°	179.9°
C5	C6	N7	C13	4.5°	0.0°
C5	C6	N7	C8	172.5°	179.9°
C6	C5	C4	H4	178.8°	180.0°
C2	C1	C6	C9	176.1°	180.0°
C2	C1	C6	N7	178.2°	179.7°
C2	C1	C9	O12	43.7°	0.1°
C2	C1	C9	C8	173.1°	180.0°
C20	C19	C18	H13	180.0°	179.3°
C19	C20	C15	H14	180.0°	179.4°
C20	C19	C18	C17	0.9°	0.4°
C19	C20	C15	C14	179.4°	179.7°
C19	C20	C15	C16	0.2°	0.7°
C20	C19	C18	H12	179.1°	179.7°
C18	C19	C20	C15	0.7°	0.7°
C19	C18	C17	H12	180.0°	179.9°
C19	C18	C17	C16	0.2°	0.1°
C19	C18	C17	H11	179.8°	180.0°
C18	C19	C20	H14	179.3°	180.0°
C20	C15	C14	C13	79.1°	90.3°
C20	C15	C14	C16	179.6°	179.7°
C20	C15	C16	C17	0.9°	0.4°
C20	C15	C14	H8	161.1°	149.7°
C20	C15	C14	H9	40.7°	29.7°
C20	C15	C16	H10	179.1°	179.8°
C15	C20	C19	H13	179.3°	180.0°
C1	C6	N7	C13	171.1°	179.6°
C1	C6	N7	C8	3.0°	0.5°
C6	C1	C9	O12	140.9°	180.0°
C6	C1	C9	C8	11.5°	0.0°
C6	C1	C2	H3	178.6°	180.0°
C1	C6	C5	H5	177.9°	179.9°
N7	C6	C1	C9	5.8°	0.3°
C6	N7	C13	C8	166.2°	179.9°
C6	N7	C13	C14	77.3°	90.1°
C6	N7	C8	C9	10.8°	0.5°
C6	N7	C8	O11	178.4°	179.8°
N7	C6	C5	H5	2.7°	0.3°
C6	N7	C13	H6	42.6°	150.0°
C6	N7	C13	H7	162.7°	30.0°
C1	C9	C8	N7	14.0°	0.3°
C1	C9	O12	C8	123.8°	179.9°
C1	C9	C8	O11	175.4°	180.0°
C9	C1	C2	H3	3.8°	0.0°
C18	C17	C16	C15	0.7°	0.1°
C18	C17	C16	H11	180.0°	179.9°
C18	C17	C16	H10	179.3°	180.0°
C17	C18	C19	H13	179.1°	179.7°
N7	C13	C14	H6	119.9°	120.0°
N7	C13	C14	H7	119.9°	120.0°
N7	C13	C14	C15	170.9°	180.0°
C13	N7	C8	C9	179.4°	179.6°
C13	N7	C8	O11	9.8°	0.1°
N7	C13	H6	H7	120.2°	120.0°
N7	C13	C14	H8	69.3°	60.0°
N7	C13	C14	H9	51.1°	60.0°
C8	N7	C13	C14	116.4°	90.1°
N7	C8	C9	O12	144.7°	179.7°
N7	C8	C9	O11	170.7°	179.7°
C8	N7	C13	H6	123.7°	29.9°
C8	N7	C13	H7	3.5°	149.9°
C13	C14	C15	H8	119.8°	120.0°
C13	C14	C15	H9	119.8°	120.0°
C13	C14	C15	C16	101.3°	90.0°
C14	C13	H6	H7	120.2°	120.0°
C13	C14	H8	H9	120.6°	120.1°
C14	C15	C16	C17	178.7°	179.9°
C15	C14	C13	H6	51.0°	60.0°
C15	C14	C13	H7	69.1°	60.0°
C15	C14	H8	H9	120.6°	120.0°
C14	C15	C16	H10	1.3°	0.1°
C14	C15	C20	H14	0.6°	0.3°
C15	C16	C17	H10	180.0°	179.8°
C16	C15	C14	H8	18.5°	30.0°
C16	C15	C14	H9	138.9°	149.9°
C15	C16	C17	H11	179.2°	180.0°
C16	C15	C20	H14	179.8°	180.0°
O12	C9	C8	O11	44.6°	0.0°
C16	C17	C18	H12	179.8°	180.0°
H4	C4	C5	H5	1.2°	0.1°
H6	C13	C14	H8	170.8°	180.0°
H6	C13	C14	H9	68.8°	60.0°
H7	C13	C14	H8	50.7°	60.0°
H7	C13	C14	H9	171.1°	180.0°
H10	C16	C17	H11	0.7°	0.1°
H11	C17	C18	H12	0.2°	0.1°
H12	C18	C19	H13	0.9°	0.4°
H13	C19	C20	H14	0.7°	0.6°

Release date:	2018-08-29
Definition date:	2016-08-19
Last modified:	2018-08-24
Release status:	REL
Processing site:	PDBJ
Derived from:	5GQ8