H2M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	C8	doub	1.38Å	1.38Å	Aromatic
C7	C6	sing	1.38Å	1.39Å	Aromatic
C8	C9	sing	1.39Å	1.37Å	Aromatic
C6	C5	doub	1.38Å	1.38Å	Aromatic
F2	C16	sing	1.40Å	1.25Å
C9	C10	sing	1.48Å	1.44Å
C9	C4	doub	1.40Å	1.37Å	Aromatic
F	C16	sing	1.40Å	1.31Å
C16	C14	sing	1.51Å	1.46Å
C16	F1	sing	1.40Å	1.36Å
C15	C10	doub	1.39Å	1.36Å	Aromatic
C15	C14	sing	1.38Å	1.36Å	Aromatic
C5	C4	sing	1.39Å	1.38Å	Aromatic
C10	C11	sing	1.39Å	1.39Å	Aromatic
C14	C13	doub	1.38Å	1.37Å	Aromatic
C11	C12	doub	1.38Å	1.38Å	Aromatic
C4	N	sing	1.40Å	1.42Å
C13	C12	sing	1.38Å	1.38Å	Aromatic
O	C2	doub	1.21Å	1.20Å
N	C2	sing	1.35Å	1.39Å
N	C3	sing	1.38Å	1.48Å
C2	C1	sing	1.52Å	1.52Å
C3	C	doub	1.32Å	1.57Å
C1	C	sing	1.52Å	1.55Å
C5	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
C15	H6	sing	1.08Å	1.08Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C3	H9	sing	1.08Å	1.08Å
C	H10	sing	1.08Å	1.08Å
C12	H11	sing	1.08Å	1.08Å
C11	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C7	C6	119.2°	120.3°
C7	C8	C9	120.2°	119.9°
C8	C7	H3	120.4°	119.9°
C7	C8	H4	119.9°	120.0°
C7	C6	C5	120.7°	120.3°
C7	C6	H2	119.6°	119.9°
C6	C7	H3	120.4°	119.9°
C8	C9	C10	119.9°	120.1°
C8	C9	C4	120.6°	119.7°
C9	C8	H4	119.9°	120.0°
C6	C5	C4	118.8°	120.1°
C6	C5	H1	120.6°	119.9°
C5	C6	H2	119.7°	119.8°
F2	C16	F	106.1°	109.4°
F2	C16	C14	110.0°	109.4°
F2	C16	F1	100.4°	109.5°
C10	C9	C4	119.0°	120.1°
C9	C10	C15	123.0°	120.1°
C9	C10	C11	115.5°	120.1°
C9	C4	C5	120.5°	119.7°
C9	C4	N	117.1°	120.2°
F	C16	C14	113.7°	109.5°
F	C16	F1	110.0°	109.6°
C14	C16	F1	115.4°	109.5°
C16	C14	C15	117.9°	120.0°
C16	C14	C13	118.1°	119.9°
C10	C15	C14	117.0°	119.9°
C15	C10	C11	121.3°	119.7°
C10	C15	H6	121.5°	120.0°
C15	C14	C13	123.9°	120.1°
C14	C15	H6	121.5°	120.0°
C5	C4	N	122.3°	120.1°
C4	C5	H1	120.6°	120.0°
C10	C11	C12	120.1°	119.9°
C10	C11	H12	120.0°	120.0°
C14	C13	C12	118.6°	120.2°
C14	C13	H5	120.7°	119.9°
C11	C12	C13	119.1°	120.1°
C11	C12	H11	120.4°	120.0°
C12	C11	H12	120.0°	120.0°
C4	N	C2	124.1°	124.2°
C4	N	C3	122.9°	124.2°
C12	C13	H5	120.7°	119.9°
C13	C12	H11	120.4°	119.9°
O	C2	N	123.5°	127.1°
O	C2	C1	127.2°	127.2°
C2	N	C3	113.0°	111.6°
N	C2	C1	109.3°	105.7°
N	C3	C	105.4°	112.5°
N	C3	H9	127.3°	123.8°
C2	C1	C	106.1°	103.7°
C2	C1	H7	110.3°	110.6°
C2	C1	H8	110.3°	110.5°
C3	C	C1	105.2°	106.6°
C	C3	H9	127.3°	123.7°
C3	C	H10	127.4°	126.8°
C	C1	H7	110.3°	110.6°
C	C1	H8	110.3°	110.6°
C1	C	H10	127.4°	126.6°
H7	C1	H8	109.5°	110.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C7	C6	H3	180.0°	179.7°
C7	C8	C9	H4	180.0°	179.7°
C8	C7	C6	C5	0.8°	0.0°
C7	C8	C9	C10	168.7°	180.0°
C7	C8	C9	C4	3.2°	0.6°
C8	C7	C6	H2	179.2°	180.0°
C6	C7	C8	C9	1.2°	0.3°
C7	C6	C5	H2	180.0°	179.9°
C7	C6	C5	C4	0.8°	0.1°
C7	C6	C5	H1	179.2°	180.0°
C6	C7	C8	H4	178.8°	180.0°
C8	C9	C10	C4	172.1°	179.4°
C8	C9	C10	C15	49.6°	50.3°
C8	C9	C4	C5	3.2°	0.6°
C8	C9	C10	C11	124.3°	130.0°
C8	C9	C4	N	173.9°	179.8°
C9	C8	C7	H3	178.8°	180.0°
C6	C5	C4	C9	1.2°	0.4°
C6	C5	C4	H1	180.0°	179.9°
C6	C5	C4	N	175.8°	180.0°
C5	C6	C7	H3	179.2°	179.7°
F2	C16	F	C14	121.1°	119.9°
F2	C16	F	F1	107.8°	120.0°
F2	C16	C14	F1	112.7°	120.0°
F2	C16	C14	C15	102.9°	30.0°
F2	C16	C14	C13	73.4°	150.0°
C9	C10	C15	C11	173.5°	179.7°
C9	C10	C15	C14	170.9°	179.7°
C10	C9	C4	C5	168.8°	180.0°
C9	C10	C11	C12	171.2°	179.7°
C10	C9	C4	N	14.1°	0.3°
C10	C9	C8	H4	11.3°	0.3°
C9	C10	C15	H6	9.1°	0.2°
C9	C10	C11	H12	8.8°	0.3°
C4	C9	C10	C15	138.3°	130.3°
C9	C4	C5	N	176.9°	179.6°
C4	C9	C10	C11	47.8°	49.4°
C9	C4	N	C2	124.2°	89.7°
C9	C4	N	C3	56.3°	90.3°
C9	C4	C5	H1	178.8°	179.7°
C4	C9	C8	H4	176.8°	179.7°
F	C16	C14	F1	128.4°	120.1°
F	C16	C14	C15	16.0°	150.0°
F	C16	C14	C13	167.8°	30.1°
C16	C14	C15	C10	175.2°	180.0°
C16	C14	C15	C13	176.0°	180.0°
C16	C14	C13	C12	176.8°	179.9°
C16	C14	C13	H5	3.2°	0.0°
C16	C14	C15	H6	4.8°	0.1°
F1	C16	C14	C15	144.4°	89.9°
F1	C16	C14	C13	39.4°	90.0°
C10	C15	C14	H6	180.0°	180.0°
C10	C15	C14	C13	0.8°	0.0°
C15	C10	C11	C12	2.8°	0.0°
C15	C10	C11	H12	177.2°	179.9°
C14	C15	C10	C11	2.6°	0.0°
C15	C14	C13	C12	0.8°	0.0°
C15	C14	C13	H5	179.2°	180.0°
C5	C4	N	C2	58.7°	90.0°
C5	C4	N	C3	120.8°	90.1°
C4	C5	C6	H2	179.1°	180.0°
C10	C11	C12	H12	180.0°	180.0°
C10	C11	C12	C13	1.1°	0.0°
C11	C10	C15	H6	177.4°	180.0°
C10	C11	C12	H11	178.9°	180.0°
C14	C13	C12	C11	0.6°	0.0°
C14	C13	C12	H5	180.0°	179.9°
C13	C14	C15	H6	179.2°	180.0°
C14	C13	C12	H11	179.4°	180.0°
C11	C12	C13	H11	180.0°	180.0°
C11	C12	C13	H5	179.4°	179.9°
C4	N	C2	O	1.7°	0.1°
C4	N	C2	C3	179.5°	180.0°
C4	N	C2	C1	179.3°	179.7°
C4	N	C3	C	174.5°	179.8°
N	C4	C5	H1	4.2°	0.1°
C4	N	C3	H9	5.5°	0.0°
C13	C12	C11	H12	178.9°	180.0°
O	C2	N	C1	179.1°	179.8°
O	C2	N	C3	178.8°	179.9°
O	C2	C1	C	172.6°	180.0°
O	C2	C1	H7	53.1°	61.4°
O	C2	C1	H8	68.0°	61.5°
C2	N	C3	C	5.9°	0.2°
N	C2	C1	C	6.4°	0.2°
N	C2	C1	H7	125.9°	118.8°
N	C2	C1	H8	113.0°	118.3°
C2	N	C3	H9	174.1°	179.9°
C3	N	C2	C1	0.3°	0.2°
N	C3	C	H9	180.0°	179.8°
N	C3	C	C1	9.4°	0.0°
N	C3	C	H10	170.5°	179.8°
C2	C1	C	C3	9.6°	0.1°
C2	C1	C	H7	119.5°	118.6°
C2	C1	C	H8	119.5°	118.5°
C2	C1	H7	H8	121.6°	122.8°
C2	C1	C	H10	170.4°	180.0°
C3	C	C1	H10	180.0°	179.8°
C3	C	C1	H7	129.1°	118.7°
C3	C	C1	H8	109.8°	118.3°
C	C1	H7	H8	121.5°	122.9°
C1	C	C3	H9	170.6°	179.8°
H1	C5	C6	H2	0.8°	0.1°
H2	C6	C7	H3	0.8°	0.4°
H3	C7	C8	H4	1.2°	0.3°
H5	C13	C12	H11	0.6°	0.1°
H7	C1	C	H10	50.9°	61.5°
H8	C1	C	H10	70.2°	61.5°
H9	C3	C	H10	9.4°	0.1°
H11	C12	C11	H12	1.1°	0.1°

Release date:	2019-03-27
Definition date:	2018-06-11
Last modified:	2019-03-22
Release status:	REL
Processing site:	RCSB
Derived from:	5QHC