0SW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C18	C16	doub	1.38Å	1.39Å	Aromatic
C18	C19	sing	1.38Å	1.40Å	Aromatic
C16	C15	sing	1.38Å	1.39Å	Aromatic
C19	C14	doub	1.38Å	1.41Å	Aromatic
C15	C17	doub	1.38Å	1.39Å	Aromatic
C14	C17	sing	1.38Å	1.40Å	Aromatic
C14	C13	sing	1.51Å	1.52Å
C13	C12	sing	1.53Å	1.53Å
C12	N11	sing	1.47Å	1.48Å
N8	C7	doub	1.32Å	1.38Å	Aromatic
N8	C10	sing	1.33Å	1.39Å	Aromatic
C7	N9	sing	1.31Å	1.38Å	Aromatic
N11	C10	sing	1.38Å	1.42Å
C10	C2	doub	1.42Å	1.40Å	Aromatic
N9	C1	doub	1.34Å	1.39Å	Aromatic
C1	C2	sing	1.42Å	1.41Å	Aromatic
C1	C3	sing	1.40Å	1.38Å	Aromatic
C2	C4	sing	1.40Å	1.41Å	Aromatic
C3	C5	doub	1.36Å	1.39Å	Aromatic
C4	C6	doub	1.36Å	1.39Å	Aromatic
C5	C6	sing	1.39Å	1.38Å	Aromatic
N11	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
C3	H5	sing	1.08Å	1.08Å
C7	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.09Å	1.10Å
C12	H8	sing	1.09Å	1.10Å
C13	H9	sing	1.09Å	1.10Å
C13	H10	sing	1.09Å	1.10Å
C19	H11	sing	1.08Å	1.08Å
C18	H12	sing	1.08Å	1.08Å
C16	H13	sing	1.08Å	1.08Å
C15	H14	sing	1.08Å	1.08Å
C17	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	C18	C19	119.7°	120.0°
C18	C16	C15	120.0°	120.0°
C16	C18	H12	120.1°	119.9°
C18	C16	H13	120.0°	120.1°
C18	C19	C14	120.5°	120.0°
C18	C19	H11	119.7°	120.0°
C19	C18	H12	120.1°	120.0°
C16	C15	C17	120.4°	120.0°
C15	C16	H13	120.0°	119.9°
C16	C15	H14	119.8°	120.0°
C19	C14	C17	119.0°	120.0°
C19	C14	C13	122.7°	120.0°
C14	C19	H11	119.8°	120.0°
C15	C17	C14	120.4°	120.0°
C17	C15	H14	119.8°	120.0°
C15	C17	H15	119.8°	120.0°
C17	C14	C13	118.3°	120.0°
C14	C17	H15	119.8°	120.0°
C14	C13	C12	114.1°	109.4°
C14	C13	H9	108.3°	109.4°
C14	C13	H10	108.3°	109.5°
C13	C12	N11	110.0°	109.5°
C13	C12	H7	109.3°	109.5°
C13	C12	H8	109.4°	109.5°
C12	C13	H9	108.3°	109.5°
C12	C13	H10	108.3°	109.5°
C12	N11	C10	118.1°	120.0°
C12	N11	H1	107.3°	120.0°
N11	C12	H7	109.3°	109.4°
N11	C12	H8	109.4°	109.5°
C7	N8	C10	122.3°	121.5°
N8	C7	N9	119.7°	123.0°
N8	C7	H6	120.2°	118.5°
N8	C10	N11	119.7°	120.9°
N8	C10	C2	118.7°	118.2°
C7	N9	C1	118.9°	120.5°
N9	C7	H6	120.1°	118.5°
N11	C10	C2	121.6°	120.9°
C10	N11	H1	107.3°	120.0°
C10	C2	C1	118.2°	118.2°
C10	C2	C4	123.5°	122.1°
N9	C1	C2	122.2°	118.7°
N9	C1	C3	117.5°	122.0°
C2	C1	C3	120.2°	119.3°
C1	C2	C4	118.3°	119.7°
C1	C3	C5	120.8°	119.6°
C1	C3	H5	119.6°	120.2°
C2	C4	C6	120.7°	119.5°
C2	C4	H2	119.6°	120.2°
C3	C5	C6	120.0°	121.0°
C3	C5	H4	120.0°	119.5°
C5	C3	H5	119.6°	120.2°
C4	C6	C5	120.0°	121.0°
C6	C4	H2	119.7°	120.3°
C4	C6	H3	120.0°	119.5°
C5	C6	H3	120.0°	119.5°
C6	C5	H4	120.0°	119.6°
H7	C12	H8	109.5°	109.5°
H9	C13	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	C18	C19	H12	180.0°	180.0°
C18	C16	C15	H13	180.0°	180.0°
C16	C18	C19	C14	0.0°	0.0°
C18	C16	C15	C17	0.7°	0.1°
C16	C18	C19	H11	180.0°	180.0°
C18	C16	C15	H14	179.3°	179.9°
C19	C18	C16	C15	0.5°	0.0°
C18	C19	C14	H11	180.0°	180.0°
C18	C19	C14	C17	0.4°	0.0°
C18	C19	C14	C13	179.6°	179.8°
C19	C18	C16	H13	179.5°	180.0°
C16	C15	C17	H14	180.0°	179.8°
C16	C15	C17	C14	0.3°	0.2°
C15	C16	C18	H12	179.5°	180.0°
C16	C15	C17	H15	179.7°	179.8°
C19	C14	C17	C15	0.3°	0.1°
C19	C14	C17	C13	179.2°	179.8°
C19	C14	C13	C12	30.8°	89.8°
C19	C14	C13	H9	151.5°	150.3°
C19	C14	C13	H10	89.9°	30.2°
C14	C19	C18	H12	180.0°	180.0°
C19	C14	C17	H15	179.7°	179.7°
C15	C17	C14	H15	180.0°	179.6°
C15	C17	C14	C13	179.5°	179.7°
C17	C15	C16	H13	179.4°	179.9°
C17	C14	C13	C12	150.0°	90.0°
C17	C14	C13	H9	29.3°	29.9°
C17	C14	C13	H10	89.3°	149.9°
C17	C14	C19	H11	179.6°	180.0°
C14	C17	C15	H14	179.7°	180.0°
C14	C13	C12	H9	120.7°	119.9°
C14	C13	C12	H10	120.7°	120.0°
C14	C13	C12	N11	157.2°	180.0°
C14	C13	C12	H7	82.7°	60.1°
C14	C13	C12	H8	37.2°	60.0°
C14	C13	H9	H10	117.9°	120.0°
C13	C14	C19	H11	0.4°	0.2°
C13	C14	C17	H15	0.5°	0.1°
C13	C12	N11	H7	120.1°	119.9°
C13	C12	N11	H8	120.1°	120.1°
C13	C12	N11	C10	78.6°	180.0°
C13	C12	N11	H1	160.1°	0.4°
C13	C12	H7	H8	119.8°	120.0°
C12	C13	H9	H10	117.9°	120.0°
C12	N11	C10	N8	3.6°	0.1°
C12	N11	C10	H1	121.3°	179.6°
C12	N11	C10	C2	176.2°	179.7°
N11	C12	H7	H8	119.8°	120.0°
N11	C12	C13	H9	36.6°	60.1°
N11	C12	C13	H10	82.1°	60.0°
N8	C7	N9	H6	180.0°	180.0°
C7	N8	C10	N11	179.9°	180.0°
C7	N8	C10	C2	0.1°	0.2°
N8	C7	N9	C1	0.5°	0.3°
C10	N8	C7	N9	0.5°	0.0°
N8	C10	N11	C2	179.8°	179.8°
N8	C10	C2	C1	0.3°	0.2°
N8	C10	C2	C4	180.0°	179.7°
N8	C10	N11	H1	117.6°	179.7°
C10	N8	C7	H6	179.5°	180.0°
C7	N9	C1	C2	0.2°	0.2°
C7	N9	C1	C3	179.9°	179.7°
N11	C10	C2	C1	179.6°	180.0°
N11	C10	C2	C4	0.1°	0.0°
C10	N11	C12	H7	41.4°	60.0°
C10	N11	C12	H8	161.3°	60.0°
C10	C2	C1	N9	0.2°	0.0°
C10	C2	C1	C4	179.7°	180.0°
C10	C2	C1	C3	179.7°	180.0°
C10	C2	C4	C6	179.8°	180.0°
C2	C10	N11	H1	62.5°	0.1°
C10	C2	C4	H2	0.2°	0.1°
N9	C1	C2	C3	179.9°	180.0°
N9	C1	C2	C4	180.0°	179.9°
N9	C1	C3	C5	179.9°	179.9°
N9	C1	C3	H5	0.1°	0.1°
C1	N9	C7	H6	179.5°	179.7°
C2	C1	C3	C5	0.2°	0.0°
C1	C2	C4	C6	0.1°	0.0°
C1	C2	C4	H2	179.9°	180.0°
C2	C1	C3	H5	179.8°	179.9°
C3	C1	C2	C4	0.1°	0.0°
C1	C3	C5	H5	180.0°	180.0°
C1	C3	C5	C6	0.2°	0.0°
C1	C3	C5	H4	179.8°	180.0°
C2	C4	C6	H2	180.0°	179.9°
C2	C4	C6	C5	0.2°	0.0°
C2	C4	C6	H3	179.8°	179.9°
C3	C5	C6	C4	0.0°	0.1°
C3	C5	C6	H4	180.0°	179.9°
C3	C5	C6	H3	180.0°	179.9°
C4	C6	C5	H3	180.0°	180.0°
C4	C6	C5	H4	180.0°	180.0°
C5	C6	C4	H2	179.8°	180.0°
C6	C5	C3	H5	179.8°	179.9°
H1	N11	C12	H7	79.8°	120.3°
H1	N11	C12	H8	40.1°	119.7°
H2	C4	C6	H3	0.2°	0.0°
H3	C6	C5	H4	0.0°	0.0°
H4	C5	C3	H5	0.2°	0.0°
H7	C12	C13	H9	156.6°	NaN°
H7	C12	C13	H10	38.0°	60.0°
H8	C12	C13	H9	83.5°	60.0°
H8	C12	C13	H10	157.8°	NaN°
H11	C19	C18	H12	0.0°	0.0°
H12	C18	C16	H13	0.5°	0.0°
H13	C16	C15	H14	0.6°	0.0°
H14	C15	C17	H15	0.3°	0.4°

Release date:	2013-05-01
Definition date:	2012-05-24
Last modified:	2013-04-26
Release status:	REL
Processing site:	RCSB
Derived from:	4F7S