SBW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	N01	sing	1.47Å	1.46Å
C11	C09	sing	1.51Å	1.51Å
C10	C09	doub	1.38Å	1.37Å	Aromatic
C10	C05	sing	1.39Å	1.38Å	Aromatic
O01	C05	sing	1.36Å	1.36Å
N01	C12	sing	1.35Å	1.29Å
C09	C08	sing	1.38Å	1.38Å	Aromatic
O02	C12	doub	1.22Å	1.26Å
C05	C06	doub	1.39Å	1.38Å	Aromatic
C12	C13	sing	1.48Å	1.50Å
C13	C18	doub	1.40Å	1.38Å	Aromatic
C13	C14	sing	1.40Å	1.39Å	Aromatic
C08	C07	doub	1.38Å	1.38Å	Aromatic
C18	C17	sing	1.38Å	1.38Å	Aromatic
C14	C15	doub	1.38Å	1.40Å	Aromatic
C06	C07	sing	1.38Å	1.35Å	Aromatic
C15	C16	sing	1.38Å	1.41Å	Aromatic
C17	C16	doub	1.38Å	1.40Å	Aromatic
C16	S01	sing	1.76Å	1.75Å
N02	S01	sing	1.66Å	1.56Å
O03	S01	doub	1.42Å	1.43Å
S01	O04	doub	1.42Å	1.45Å
N02	H1	sing	0.97Å	1.00Å
N02	H2	sing	0.97Å	1.00Å
C15	H3	sing	1.08Å	1.08Å
C14	H4	sing	1.08Å	1.08Å
C17	H5	sing	1.08Å	1.08Å
C18	H6	sing	1.08Å	1.08Å
N01	H7	sing	0.97Å	1.00Å
C11	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C08	H10	sing	1.08Å	1.08Å
C07	H11	sing	1.08Å	1.08Å
C06	H12	sing	1.08Å	1.08Å
O01	H13	sing	0.97Å	0.95Å
C10	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N01	C11	C09	113.8°	109.5°
C11	N01	C12	124.2°	120.0°
C11	N01	H7	117.9°	120.0°
N01	C11	H8	108.4°	109.5°
N01	C11	H9	108.4°	109.5°
C11	C09	C10	119.5°	120.0°
C11	C09	C08	123.1°	120.0°
C09	C11	H8	108.4°	109.4°
C09	C11	H9	108.4°	109.5°
C09	C10	C05	121.2°	119.9°
C10	C09	C08	117.3°	120.1°
C09	C10	H14	119.4°	120.0°
C10	C05	O01	122.3°	120.1°
C10	C05	C06	119.4°	119.9°
C05	C10	H14	119.4°	120.0°
O01	C05	C06	118.3°	120.1°
C05	O01	H13	109.5°	114.0°
N01	C12	O02	122.0°	120.1°
N01	C12	C13	119.1°	120.0°
C12	N01	H7	117.9°	120.0°
C09	C08	C07	122.4°	120.1°
C09	C08	H10	118.8°	120.0°
O02	C12	C13	118.9°	119.9°
C05	C06	C07	120.6°	119.9°
C05	C06	H12	119.7°	120.1°
C12	C13	C18	119.4°	120.2°
C12	C13	C14	121.9°	120.2°
C18	C13	C14	118.7°	119.6°
C13	C18	C17	121.5°	119.9°
C13	C18	H6	119.2°	120.0°
C13	C14	C15	120.8°	119.9°
C13	C14	H4	119.6°	120.0°
C08	C07	C06	118.8°	120.1°
C07	C08	H10	118.8°	119.9°
C08	C07	H11	120.6°	120.0°
C18	C17	C16	120.5°	120.1°
C18	C17	H5	119.8°	120.0°
C17	C18	H6	119.2°	120.1°
C14	C15	C16	119.8°	120.1°
C14	C15	H3	120.1°	119.9°
C15	C14	H4	119.6°	120.1°
C06	C07	H11	120.6°	119.9°
C07	C06	H12	119.7°	120.0°
C15	C16	C17	118.6°	120.3°
C15	C16	S01	119.0°	119.8°
C16	C15	H3	120.1°	120.0°
C17	C16	S01	122.3°	119.9°
C16	C17	H5	119.7°	119.9°
C16	S01	N02	107.4°	107.2°
C16	S01	O03	103.9°	106.4°
C16	S01	O04	105.4°	106.4°
N02	S01	O03	110.6°	106.4°
N02	S01	O04	111.2°	106.4°
S01	N02	H1	109.5°	120.0°
S01	N02	H2	109.4°	120.0°
O03	S01	O04	117.4°	123.1°
H1	N02	H2	109.5°	120.0°
H8	C11	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N01	C11	C09	H8	120.6°	120.0°
N01	C11	C09	H9	120.6°	120.0°
N01	C11	C09	C10	143.2°	90.3°
C11	N01	C12	H7	180.0°	180.0°
N01	C11	C09	C08	32.0°	90.0°
C11	N01	C12	O02	1.7°	0.0°
C11	N01	C12	C13	178.4°	180.0°
N01	C11	H8	H9	118.0°	120.0°
C11	C09	C10	C08	175.5°	179.7°
C11	C09	C10	C05	178.5°	179.7°
C09	C11	N01	C12	91.4°	180.0°
C11	C09	C08	C07	179.5°	180.0°
C09	C11	N01	H7	88.6°	0.0°
C09	C11	H8	H9	118.0°	120.0°
C11	C09	C08	H10	0.5°	0.0°
C11	C09	C10	H14	1.5°	0.0°
C09	C10	C05	H14	180.0°	179.7°
C09	C10	C05	O01	177.0°	179.7°
C09	C10	C05	C06	2.5°	0.5°
C10	C09	C08	C07	5.2°	0.3°
C10	C09	C11	H8	22.6°	149.8°
C10	C09	C11	H9	96.1°	29.7°
C10	C09	C08	H10	174.8°	179.7°
C10	C05	O01	C06	179.5°	179.7°
C05	C10	C09	C08	6.1°	0.5°
C10	C05	C06	C07	2.2°	0.3°
C10	C05	C06	H12	177.8°	179.8°
C10	C05	O01	H13	180.0°	89.8°
O01	C05	C06	C07	178.3°	180.0°
O01	C05	C06	H12	1.7°	0.0°
O01	C05	C10	H14	3.0°	0.0°
N01	C12	O02	C13	179.9°	179.9°
N01	C12	C13	C18	177.3°	180.0°
N01	C12	C13	C14	4.5°	0.3°
C12	N01	C11	H8	148.0°	60.0°
C12	N01	C11	H9	29.2°	60.0°
C09	C08	C07	H10	180.0°	180.0°
C09	C08	C07	C06	0.7°	0.0°
C08	C09	C11	H8	152.6°	30.0°
C08	C09	C11	H9	88.7°	150.0°
C09	C08	C07	H11	179.3°	180.0°
C08	C09	C10	H14	173.9°	179.8°
O02	C12	C13	C18	2.8°	0.1°
O02	C12	C13	C14	175.5°	179.8°
O02	C12	N01	H7	178.3°	179.9°
C05	C06	C07	C08	3.1°	0.0°
C05	C06	C07	H12	180.0°	179.9°
C05	C06	C07	H11	176.9°	180.0°
C06	C05	O01	H13	0.5°	90.0°
C06	C05	C10	H14	177.5°	179.7°
C12	C13	C18	C14	178.3°	179.7°
C12	C13	C18	C17	179.2°	180.0°
C12	C13	C14	C15	179.7°	180.0°
C12	C13	C14	H4	0.3°	0.1°
C12	C13	C18	H6	0.8°	0.0°
C13	C12	N01	H7	1.6°	0.0°
C13	C18	C17	H6	180.0°	179.9°
C18	C13	C14	C15	2.1°	0.3°
C13	C18	C17	C16	0.6°	0.1°
C18	C13	C14	H4	178.0°	179.7°
C13	C18	C17	H5	179.4°	180.0°
C14	C13	C18	C17	0.9°	0.3°
C13	C14	C15	H4	180.0°	180.0°
C13	C14	C15	C16	1.7°	0.0°
C13	C14	C15	H3	178.2°	179.9°
C14	C13	C18	H6	179.1°	179.7°
C08	C07	C06	H11	180.0°	180.0°
C08	C07	C06	H12	177.0°	180.0°
C18	C17	C16	C15	0.9°	0.2°
C18	C17	C16	H5	180.0°	179.9°
C18	C17	C16	S01	179.3°	180.0°
C14	C15	C16	H3	180.0°	180.0°
C14	C15	C16	C17	0.2°	0.2°
C14	C15	C16	S01	178.2°	180.0°
C06	C07	C08	H10	179.3°	180.0°
C15	C16	C17	S01	178.4°	179.8°
C15	C16	S01	N02	46.9°	90.0°
C15	C16	S01	O03	164.1°	156.5°
C15	C16	S01	O04	71.8°	23.6°
C16	C15	C14	H4	178.3°	180.0°
C15	C16	C17	H5	179.1°	179.7°
C17	C16	S01	N02	134.7°	90.2°
C17	C16	S01	O03	17.5°	23.3°
C17	C16	S01	O04	106.6°	156.2°
C17	C16	C15	H3	179.8°	179.8°
C16	C17	C18	H6	179.4°	180.0°
C16	S01	N02	O03	112.7°	113.5°
C16	S01	N02	O04	114.9°	113.6°
C16	S01	O03	O04	115.9°	122.9°
C16	S01	N02	H1	180.0°	120.0°
C16	S01	N02	H2	60.0°	59.9°
S01	C16	C15	H3	1.8°	0.0°
S01	C16	C17	H5	0.7°	0.1°
N02	S01	O03	O04	129.1°	123.0°
S01	N02	H1	H2	120.0°	179.9°
O03	S01	N02	H1	67.3°	126.5°
O03	S01	N02	H2	52.8°	53.6°
O04	S01	N02	H1	65.1°	6.4°
O04	S01	N02	H2	174.9°	173.5°
H3	C15	C14	H4	1.7°	0.0°
H5	C17	C18	H6	0.6°	0.1°
H7	N01	C11	H8	32.1°	120.0°
H7	N01	C11	H9	150.8°	120.0°
H10	C08	C07	H11	0.7°	0.0°
H11	C07	C06	H12	3.0°	0.0°

Release date:	2013-12-11
Definition date:	2013-09-24
Last modified:	2013-12-06
Release status:	REL
Processing site:	RCSB
Derived from:	4MTY