S8G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F	C8	sing	1.40Å	1.37Å
F1	C8	sing	1.40Å	1.34Å
C8	C7	sing	1.53Å	1.54Å
C8	F2	sing	1.40Å	1.34Å
C7	C6	sing	1.53Å	1.51Å
C6	C5	sing	1.51Å	1.52Å
O	C5	doub	1.21Å	1.24Å
C5	N1	sing	1.35Å	1.41Å
N1	C3	sing	1.47Å	1.50Å
N1	C4	sing	1.47Å	1.49Å
C3	C2	sing	1.53Å	1.55Å
C4	C	sing	1.53Å	1.55Å
C2	C1	sing	1.53Å	1.52Å
C1	C	sing	1.53Å	1.54Å
C	N	sing	1.47Å	1.46Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
N	H7	sing	1.01Å	1.00Å
N	H8	sing	1.01Å	1.00Å
C	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C2	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å
C3	H15	sing	1.09Å	1.10Å
C3	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F	C8	F1	108.1°	109.5°
F	C8	C7	110.6°	109.5°
F	C8	F2	103.7°	109.5°
F1	C8	C7	112.4°	109.4°
F1	C8	F2	106.1°	109.5°
C7	C8	F2	115.3°	109.5°
C8	C7	C6	108.5°	109.5°
C8	C7	H5	109.7°	109.5°
C8	C7	H6	109.7°	109.5°
C7	C6	C5	105.9°	109.5°
C7	C6	H3	110.4°	109.5°
C7	C6	H4	110.4°	109.5°
C6	C7	H5	109.7°	109.5°
C6	C7	H6	109.7°	109.5°
C6	C5	O	119.0°	120.0°
C6	C5	N1	120.8°	120.0°
C5	C6	H3	110.3°	109.4°
C5	C6	H4	110.3°	109.4°
O	C5	N1	120.2°	120.0°
C5	N1	C3	123.9°	120.6°
C5	N1	C4	118.9°	120.7°
C3	N1	C4	117.1°	118.8°
N1	C3	C2	114.3°	108.8°
N1	C3	H15	108.2°	109.6°
N1	C3	H16	108.2°	109.6°
N1	C4	C	113.1°	108.8°
N1	C4	H1	108.5°	109.5°
N1	C4	H2	108.5°	109.6°
C3	C2	C1	111.6°	109.3°
C3	C2	H13	108.9°	109.5°
C3	C2	H14	109.0°	109.5°
C2	C3	H15	108.3°	109.6°
C2	C3	H16	108.3°	109.5°
C4	C	C1	105.8°	109.3°
C4	C	N	107.7°	109.5°
C	C4	H1	108.6°	109.5°
C	C4	H2	108.6°	109.6°
C4	C	H10	108.6°	109.5°
C2	C1	C	107.5°	109.5°
C2	C1	H11	110.0°	109.4°
C2	C1	H12	110.0°	109.5°
C1	C2	H13	109.0°	109.5°
C1	C2	H14	109.0°	109.5°
C1	C	N	115.8°	109.5°
C1	C	H10	108.8°	109.5°
C	C1	H11	110.0°	109.4°
C	C1	H12	110.0°	109.5°
C	N	H7	109.5°	111.0°
C	N	H8	109.5°	111.0°
N	C	H10	109.8°	109.5°
H1	C4	H2	109.4°	109.7°
H3	C6	H4	109.5°	109.5°
H5	C7	H6	109.5°	109.4°
H7	N	H8	109.5°	111.0°
H11	C1	H12	109.5°	109.5°
H13	C2	H14	109.4°	109.5°
H15	C3	H16	109.5°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F	C8	F1	C7	122.3°	120.0°
F	C8	F1	F2	110.8°	120.0°
F	C8	C7	F2	117.3°	120.0°
F	C8	C7	C6	59.1°	180.0°
F	C8	C7	H5	60.7°	60.0°
F	C8	C7	H6	179.0°	59.9°
F1	C8	C7	F2	121.8°	120.0°
F1	C8	C7	C6	180.0°	60.0°
F1	C8	C7	H5	60.2°	180.0°
F1	C8	C7	H6	60.1°	60.0°
C8	C7	C6	H5	119.9°	120.0°
C8	C7	C6	H6	119.9°	120.0°
C8	C7	C6	C5	175.9°	180.0°
C8	C7	C6	H3	56.5°	60.1°
C8	C7	C6	H4	64.6°	60.0°
C8	C7	H5	H6	120.5°	120.0°
F2	C8	C7	C6	58.2°	60.0°
F2	C8	C7	H5	178.0°	60.0°
F2	C8	C7	H6	61.7°	179.9°
C7	C6	C5	H3	119.5°	120.0°
C7	C6	C5	H4	119.5°	120.0°
C7	C6	C5	O	14.6°	0.0°
C7	C6	C5	N1	164.2°	180.0°
C7	C6	H3	H4	121.7°	120.0°
C6	C7	H5	H6	120.4°	120.0°
C6	C5	O	N1	178.9°	180.0°
C6	C5	N1	C3	4.4°	0.0°
C6	C5	N1	C4	178.9°	179.7°
C5	C6	H3	H4	121.6°	120.0°
C5	C6	C7	H5	64.2°	60.0°
C5	C6	C7	H6	56.1°	60.0°
O	C5	N1	C3	176.7°	180.0°
O	C5	N1	C4	2.3°	0.2°
O	C5	C6	H3	134.1°	120.0°
O	C5	C6	H4	104.8°	120.0°
C5	N1	C3	C4	174.5°	179.8°
C5	N1	C3	C2	151.2°	126.7°
C5	N1	C4	C	142.1°	126.7°
C5	N1	C4	H1	97.3°	113.6°
C5	N1	C4	H2	21.6°	6.8°
N1	C5	C6	H3	44.8°	60.0°
N1	C5	C6	H4	76.3°	60.0°
C5	N1	C3	H15	30.5°	6.9°
C5	N1	C3	H16	88.1°	113.6°
N1	C3	C2	H15	120.7°	119.8°
N1	C3	C2	H16	120.7°	119.8°
C3	N1	C4	C	43.1°	53.6°
N1	C3	C2	C1	43.5°	54.6°
C3	N1	C4	H1	77.5°	66.2°
C3	N1	C4	H2	163.6°	173.4°
N1	C3	C2	H13	76.8°	174.6°
N1	C3	C2	H14	163.9°	65.3°
N1	C3	H15	H16	117.8°	120.4°
C4	N1	C3	C2	34.2°	53.6°
N1	C4	C	H1	120.6°	119.7°
N1	C4	C	H2	120.5°	119.8°
N1	C4	C	C1	59.2°	54.6°
N1	C4	C	N	176.3°	174.6°
N1	C4	H1	H2	118.3°	120.3°
N1	C4	C	H10	57.4°	65.4°
C4	N1	C3	H15	155.0°	173.4°
C4	N1	C3	H16	86.5°	66.2°
C3	C2	C1	H13	120.3°	120.0°
C3	C2	C1	H14	120.3°	119.9°
C3	C2	C1	C	61.8°	61.3°
C3	C2	C1	H11	178.5°	58.6°
C3	C2	C1	H12	57.9°	178.6°
C3	C2	H13	H14	119.0°	120.1°
C2	C3	H15	H16	117.8°	120.3°
C4	C	C1	C2	68.3°	61.3°
C4	C	C1	N	119.3°	120.0°
C4	C	C1	H10	116.5°	119.9°
C4	C	N	H10	118.1°	120.0°
C	C4	H1	H2	118.4°	120.4°
C4	C	N	H7	180.0°	180.0°
C4	C	N	H8	60.0°	56.1°
C4	C	C1	H11	172.0°	58.6°
C4	C	C1	H12	51.4°	178.6°
C2	C1	C	H11	119.7°	120.0°
C2	C1	C	H12	119.7°	120.0°
C2	C1	C	N	172.4°	178.7°
C2	C1	C	H10	48.2°	58.6°
C2	C1	H11	H12	120.9°	120.0°
C1	C2	H13	H14	119.1°	120.0°
C1	C2	C3	H15	164.3°	174.4°
C1	C2	C3	H16	77.2°	65.2°
C1	C	N	H10	123.7°	120.1°
C1	C	C4	H1	61.3°	65.1°
C1	C	C4	H2	179.7°	174.4°
C1	C	N	H7	61.8°	60.1°
C1	C	N	H8	58.2°	63.8°
C	C1	H11	H12	120.9°	120.0°
C	C1	C2	H13	58.5°	178.7°
C	C1	C2	H14	177.9°	58.6°
N	C	C4	H1	63.1°	54.9°
N	C	C4	H2	55.8°	65.6°
C	N	H7	H8	120.0°	123.9°
N	C	C1	H11	52.7°	61.3°
N	C	C1	H12	67.9°	58.6°
H1	C4	C	H10	178.0°	174.9°
H2	C4	C	H10	63.1°	54.4°
H3	C6	C7	H5	176.3°	180.0°
H3	C6	C7	H6	63.4°	60.0°
H4	C6	C7	H5	55.2°	60.0°
H4	C6	C7	H6	175.5°	179.9°
H7	N	C	H10	61.9°	59.9°
H8	N	C	H10	178.1°	176.1°
H10	C	C1	H11	71.5°	178.6°
H10	C	C1	H12	167.9°	61.4°
H11	C1	C2	H13	61.2°	61.3°
H11	C1	C2	H14	58.2°	178.6°
H12	C1	C2	H13	178.2°	58.6°
H12	C1	C2	H14	62.5°	61.4°
H13	C2	C3	H15	43.9°	65.6°
H13	C2	C3	H16	162.5°	54.8°
H14	C2	C3	H15	75.4°	54.5°
H14	C2	C3	H16	43.2°	174.9°

Release date:	2020-04-22
Definition date:	2020-03-05
Last modified:	2020-04-17
Release status:	REL
Processing site:	RCSB
Derived from:	5R8M