5SM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	doub	1.35Å	1.35Å	Aromatic
C4	N2	sing	1.37Å	1.38Å	Aromatic
C5	N2	sing	1.46Å	1.47Å
C5	C6	sing	1.51Å	1.51Å
C3	N1	sing	1.34Å	1.39Å	Aromatic
N2	C2	sing	1.35Å	1.38Å	Aromatic
C6	N4	doub	1.32Å	1.33Å	Aromatic
C6	C7	sing	1.38Å	1.38Å	Aromatic
N4	N3	sing	1.28Å	1.34Å	Aromatic
C7	C8	doub	1.40Å	1.39Å	Aromatic
F2	C16	sing	1.40Å	1.36Å
N3	C9	doub	1.32Å	1.34Å	Aromatic
C8	C9	sing	1.40Å	1.39Å	Aromatic
C8	C10	sing	1.48Å	1.49Å
N1	C2	doub	1.30Å	1.32Å	Aromatic
C2	C1	sing	1.51Å	1.48Å
C15	C10	doub	1.39Å	1.40Å	Aromatic
C15	C14	sing	1.38Å	1.40Å	Aromatic
C10	C11	sing	1.39Å	1.40Å	Aromatic
C16	C14	sing	1.51Å	1.51Å
C16	F1	sing	1.40Å	1.35Å
C14	C13	doub	1.38Å	1.39Å	Aromatic
C11	C12	doub	1.38Å	1.38Å	Aromatic
C13	C12	sing	1.39Å	1.37Å	Aromatic
C13	F3	sing	1.35Å	1.35Å
C4	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C9	H3	sing	1.08Å	1.08Å
C16	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.08Å	1.08Å
C5	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C15	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C4	N2	106.1°	106.8°
C4	C3	N1	110.8°	108.0°
C3	C4	H1	127.0°	126.6°
C4	C3	H8	124.6°	126.0°
C4	N2	C5	124.2°	126.4°
C4	N2	C2	106.7°	107.2°
N2	C4	H1	126.9°	126.6°
N2	C5	C6	114.7°	109.5°
C5	N2	C2	129.1°	126.4°
N2	C5	H9	108.2°	109.5°
N2	C5	H10	108.1°	109.5°
C5	C6	N4	118.9°	120.0°
C5	C6	C7	119.3°	120.0°
C6	C5	H9	108.2°	109.5°
C6	C5	H10	108.2°	109.4°
C3	N1	C2	105.1°	109.3°
N1	C3	H8	124.6°	126.0°
N2	C2	N1	111.3°	108.7°
N2	C2	C1	123.4°	125.6°
N4	C6	C7	121.7°	119.9°
C6	N4	N3	120.2°	122.5°
C6	C7	C8	119.5°	117.8°
C6	C7	H2	120.2°	121.1°
N4	N3	C9	119.8°	122.3°
C7	C8	C9	115.6°	117.8°
C7	C8	C10	121.3°	121.1°
C8	C7	H2	120.2°	121.1°
F2	C16	C14	111.6°	109.5°
F2	C16	F1	104.2°	109.5°
F2	C16	H4	112.2°	109.5°
N3	C9	C8	123.1°	119.6°
N3	C9	H3	118.5°	120.2°
C9	C8	C10	122.7°	121.1°
C8	C9	H3	118.4°	120.2°
C8	C10	C15	120.5°	120.1°
C8	C10	C11	121.4°	120.1°
N1	C2	C1	125.3°	125.6°
C2	C1	H5	109.5°	109.5°
C2	C1	H6	109.5°	109.5°
C2	C1	H7	109.5°	109.5°
C10	C15	C14	122.2°	119.9°
C15	C10	C11	117.9°	119.8°
C10	C15	H13	118.9°	120.0°
C15	C14	C16	120.8°	120.0°
C15	C14	C13	116.6°	120.1°
C14	C15	H13	118.9°	120.1°
C10	C11	C12	121.2°	119.9°
C10	C11	H11	119.4°	120.1°
C14	C16	F1	106.4°	109.5°
C16	C14	C13	122.6°	119.9°
C14	C16	H4	109.9°	109.4°
F1	C16	H4	112.3°	109.5°
C14	C13	C12	123.3°	120.2°
C14	C13	F3	118.4°	119.9°
C11	C12	C13	118.6°	120.1°
C12	C11	H11	119.4°	120.1°
C11	C12	H12	120.7°	120.0°
C12	C13	F3	118.3°	119.9°
C13	C12	H12	120.7°	120.0°
H5	C1	H6	109.5°	109.5°
H5	C1	H7	109.4°	109.5°
H6	C1	H7	109.5°	109.5°
H9	C5	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C4	N2	H1	180.0°	179.8°
C3	C4	N2	C5	178.0°	180.0°
C4	C3	N1	H8	180.0°	180.0°
C3	C4	N2	C2	0.5°	0.0°
C4	C3	N1	C2	0.4°	0.0°
C4	N2	C5	C2	178.2°	180.0°
C4	N2	C5	C6	82.2°	95.0°
N2	C4	C3	N1	0.1°	0.0°
C4	N2	C2	N1	0.9°	0.0°
C4	N2	C2	C1	177.0°	180.0°
N2	C4	C3	H8	179.9°	180.0°
C4	N2	C5	H9	38.6°	25.0°
C4	N2	C5	H10	157.1°	145.0°
N2	C5	C6	H9	120.8°	120.0°
N2	C5	C6	H10	120.8°	120.0°
N2	C5	C6	N4	34.2°	55.0°
N2	C5	C6	C7	148.7°	125.0°
C5	N2	C2	N1	177.6°	180.0°
C5	N2	C2	C1	4.5°	0.1°
C5	N2	C4	H1	2.0°	0.3°
N2	C5	H9	H10	117.6°	120.0°
C6	C5	N2	C2	96.0°	85.0°
C5	C6	N4	C7	177.0°	180.0°
C5	C6	N4	N3	176.6°	180.0°
C5	C6	C7	C8	174.7°	179.9°
C5	C6	C7	H2	5.3°	0.0°
C6	C5	H9	H10	117.6°	119.9°
C3	N1	C2	N2	0.8°	0.0°
C3	N1	C2	C1	177.0°	180.0°
N1	C3	C4	H1	180.0°	179.7°
N2	C2	N1	C1	177.8°	180.0°
C2	N2	C4	H1	179.5°	179.8°
N2	C2	C1	H5	177.6°	89.9°
N2	C2	C1	H6	62.4°	150.0°
N2	C2	C1	H7	57.6°	30.0°
C2	N2	C5	H9	143.2°	155.0°
C2	N2	C5	H10	24.7°	35.0°
N4	C6	C7	C8	2.3°	0.0°
C6	N4	N3	C9	1.0°	0.0°
N4	C6	C7	H2	177.7°	180.0°
N4	C6	C5	H9	86.6°	175.0°
N4	C6	C5	H10	155.0°	65.0°
C7	C6	N4	N3	0.4°	0.0°
C6	C7	C8	H2	180.0°	179.9°
C6	C7	C8	C9	2.6°	0.0°
C6	C7	C8	C10	176.1°	180.0°
C7	C6	C5	H9	90.5°	5.0°
C7	C6	C5	H10	28.0°	115.0°
N4	N3	C9	C8	0.5°	0.0°
N4	N3	C9	H3	179.4°	180.0°
C7	C8	C9	N3	1.3°	0.0°
C7	C8	C9	C10	173.3°	180.0°
C7	C8	C10	C15	153.4°	179.4°
C7	C8	C10	C11	21.2°	0.0°
C7	C8	C9	H3	178.7°	180.0°
F2	C16	C14	C15	19.6°	29.9°
F2	C16	C14	F1	113.0°	120.1°
F2	C16	C14	H4	125.2°	120.0°
F2	C16	F1	H4	121.7°	120.0°
F2	C16	C14	C13	161.9°	150.0°
N3	C9	C8	H3	180.0°	180.0°
N3	C9	C8	C10	174.6°	180.0°
C9	C8	C10	C15	33.6°	0.6°
C9	C8	C10	C11	151.8°	180.0°
C9	C8	C7	H2	177.4°	180.0°
C8	C10	C15	C11	174.8°	179.4°
C8	C10	C15	C14	175.8°	179.7°
C8	C10	C11	C12	178.2°	180.0°
C10	C8	C7	H2	3.9°	0.0°
C10	C8	C9	H3	5.4°	0.0°
C8	C10	C11	H11	1.8°	0.1°
C8	C10	C15	H13	4.1°	0.5°
N1	C2	C1	H5	0.0°	90.0°
N1	C2	C1	H6	120.0°	30.0°
N1	C2	C1	H7	120.0°	150.0°
C2	N1	C3	H8	179.6°	180.0°
C2	C1	H5	H6	120.0°	120.0°
C2	C1	H5	H7	120.0°	120.0°
C2	C1	H6	H7	120.0°	120.0°
C10	C15	C14	H13	180.0°	179.8°
C10	C15	C14	C16	179.8°	179.9°
C10	C15	C14	C13	1.6°	0.0°
C15	C10	C11	C12	3.4°	0.5°
C15	C10	C11	H11	176.6°	179.5°
C14	C15	C10	C11	1.0°	0.3°
C15	C14	C16	C13	178.5°	179.9°
C15	C14	C16	F1	93.4°	150.0°
C15	C14	C13	C12	2.1°	0.0°
C15	C14	C13	F3	175.9°	179.7°
C15	C14	C16	H4	144.8°	90.1°
C10	C11	C12	H11	180.0°	179.9°
C10	C11	C12	C13	3.0°	0.5°
C10	C11	C12	H12	177.0°	179.4°
C11	C10	C15	H13	178.9°	179.9°
C14	C16	F1	H4	120.3°	120.0°
C16	C14	C13	C12	179.4°	179.9°
C16	C14	C13	F3	2.7°	0.4°
C16	C14	C15	H13	0.2°	0.3°
F1	C16	C14	C13	85.1°	29.9°
C14	C13	C12	C11	0.2°	0.3°
C14	C13	C12	F3	178.0°	179.7°
C13	C14	C16	H4	36.7°	90.0°
C14	C13	C12	H12	179.8°	179.7°
C13	C14	C15	H13	178.4°	179.8°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	F3	178.1°	180.0°
C13	C12	C11	H11	177.0°	179.5°
F3	C13	C12	H12	1.9°	0.0°
H1	C4	C3	H8	0.0°	0.2°
H5	C1	H6	H7	120.0°	120.0°
H11	C11	C12	H12	3.0°	0.5°

Release date:	2016-03-02
Definition date:	2015-11-23
Last modified:	2016-02-26
Release status:	REL
Processing site:	RCSB
Derived from:	5EWM