SLO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F	C12	sing	1.35Å	1.34Å
S	O3	doub	1.42Å	1.46Å
S	O4	doub	1.42Å	1.47Å
S	C16	sing	1.76Å	1.74Å
S	C20	sing	1.81Å	1.78Å
C1	C3	doub	1.35Å	1.35Å
C1	C4	sing	1.47Å	1.47Å
C1	C6	sing	1.51Å	1.48Å
O1	C17	sing	1.34Å	1.35Å
C2	C3	sing	1.47Å	1.46Å
C2	C5	sing	1.48Å	1.48Å
C2	C7	doub	1.36Å	1.34Å
O2	C17	doub	1.21Å	1.23Å
C3	C10	sing	1.51Å	1.49Å
C4	C5	doub	1.41Å	1.40Å	Aromatic
C4	C8	sing	1.40Å	1.39Å	Aromatic
C5	C9	sing	1.39Å	1.39Å	Aromatic
C6	C17	sing	1.51Å	1.50Å
C7	C11	sing	1.47Å	1.47Å
C8	C12	doub	1.38Å	1.39Å	Aromatic
C9	C13	doub	1.38Å	1.40Å	Aromatic
C11	C14	doub	1.40Å	1.39Å	Aromatic
C11	C15	sing	1.40Å	1.39Å	Aromatic
C12	C13	sing	1.39Å	1.41Å	Aromatic
C14	C18	sing	1.38Å	1.40Å	Aromatic
C15	C19	doub	1.38Å	1.39Å	Aromatic
C16	C18	doub	1.39Å	1.40Å	Aromatic
C16	C19	sing	1.38Å	1.39Å	Aromatic
O1	HO1	sing	0.97Å	0.95Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
C10	H10B	sing	1.09Å	1.10Å
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C19	H19	sing	1.08Å	1.08Å
C20	H20	sing	1.09Å	1.10Å
C20	H20A	sing	1.09Å	1.10Å
C20	H20B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F	C12	C8	118.7°	119.7°
F	C12	C13	121.1°	119.7°
O3	S	O4	120.5°	121.0°
O3	S	C16	106.8°	104.2°
O3	S	C20	109.1°	110.6°
O4	S	C16	108.9°	104.3°
O4	S	C20	106.4°	110.6°
C16	S	C20	104.0°	104.4°
S	C16	C18	120.2°	119.8°
S	C16	C19	119.1°	119.9°
S	C20	H20	109.5°	109.4°
S	C20	H20A	109.4°	109.4°
S	C20	H20B	109.5°	109.5°
C3	C1	C4	108.3°	109.9°
C3	C1	C6	133.0°	125.1°
C1	C3	C2	109.1°	108.8°
C1	C3	C10	129.0°	125.6°
C4	C1	C6	118.7°	125.1°
C1	C4	C5	110.1°	108.1°
C1	C4	C8	127.8°	132.6°
C1	C6	C17	104.3°	109.5°
C1	C6	H6	111.2°	109.5°
C1	C6	H6A	111.3°	109.5°
O1	C17	O2	126.0°	120.0°
O1	C17	C6	108.5°	120.0°
C17	O1	HO1	109.5°	117.0°
C3	C2	C5	107.5°	106.6°
C3	C2	C7	124.5°	126.7°
C2	C3	C10	121.9°	125.6°
C5	C2	C7	128.1°	126.7°
C2	C5	C4	105.0°	106.6°
C2	C5	C9	135.0°	133.4°
C2	C7	C11	128.7°	120.0°
C2	C7	H7	115.7°	120.0°
O2	C17	C6	125.4°	120.0°
C3	C10	H10	109.5°	109.5°
C3	C10	H10A	109.5°	109.5°
C3	C10	H10B	109.5°	109.5°
C5	C4	C8	122.0°	119.2°
C4	C5	C9	120.0°	120.0°
C4	C8	C12	118.2°	119.9°
C4	C8	H8	120.9°	120.1°
C5	C9	C13	118.5°	119.8°
C5	C9	H9	120.8°	120.0°
C17	C6	H6	111.3°	109.4°
C17	C6	H6A	111.2°	109.4°
C7	C11	C14	120.6°	120.2°
C7	C11	C15	117.8°	120.2°
C11	C7	H7	115.7°	120.0°
C8	C12	C13	120.2°	120.5°
C12	C8	H8	120.9°	120.0°
C9	C13	C12	121.1°	120.5°
C13	C9	H9	120.8°	120.1°
C9	C13	H13	119.4°	119.7°
C14	C11	C15	121.6°	119.6°
C11	C14	C18	119.0°	119.8°
C11	C14	H14	120.5°	120.1°
C11	C15	C19	119.4°	119.8°
C11	C15	H15	120.3°	120.1°
C12	C13	H13	119.4°	119.8°
C14	C18	C16	119.8°	120.2°
C18	C14	H14	120.5°	120.1°
C14	C18	H18	120.1°	119.9°
C15	C19	C16	119.5°	120.3°
C19	C15	H15	120.3°	120.1°
C15	C19	H19	120.3°	119.9°
C18	C16	C19	120.7°	120.3°
C16	C18	H18	120.1°	119.9°
C16	C19	H19	120.2°	119.8°
H6	C6	H6A	107.6°	109.5°
H10	C10	H10A	109.5°	109.4°
H10	C10	H10B	109.5°	109.5°
H10A	C10	H10B	109.5°	109.4°
H20	C20	H20A	109.5°	109.5°
H20	C20	H20B	109.5°	109.5°
H20A	C20	H20B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F	C12	C8	C4	179.8°	180.0°
F	C12	C8	C13	179.8°	179.9°
F	C12	C13	C9	179.6°	180.0°
F	C12	C8	H8	0.2°	0.0°
F	C12	C13	H13	0.4°	0.1°
O3	S	O4	C16	123.7°	116.7°
O3	S	O4	C20	124.7°	131.6°
O3	S	C16	C20	115.3°	116.1°
O3	S	C16	C18	117.8°	153.9°
O3	S	C16	C19	60.9°	26.3°
O3	S	C20	H20	180.0°	68.4°
O3	S	C20	H20A	60.0°	171.6°
O3	S	C20	H20B	60.0°	51.6°
O4	S	C16	C20	113.1°	116.1°
O4	S	C16	C18	110.7°	26.1°
O4	S	C16	C19	70.6°	154.2°
O4	S	C20	H20	48.6°	68.4°
O4	S	C20	H20A	168.6°	51.6°
O4	S	C20	H20B	71.4°	171.6°
S	C16	C18	C14	179.7°	180.0°
S	C16	C19	C15	179.8°	180.0°
S	C16	C18	C19	178.7°	179.8°
S	C16	C18	H18	0.3°	0.1°
S	C16	C19	H19	0.2°	0.0°
C16	S	C20	H20	66.3°	180.0°
C16	S	C20	H20A	53.7°	60.0°
C16	S	C20	H20B	173.7°	60.0°
C20	S	C16	C18	2.5°	90.0°
C20	S	C16	C19	176.2°	89.8°
S	C20	H20	H20A	120.0°	119.9°
S	C20	H20	H20B	120.0°	120.0°
S	C20	H20A	H20B	120.0°	120.0°
C3	C1	C4	C6	178.7°	179.7°
C1	C3	C2	C10	179.5°	180.0°
C1	C3	C2	C5	0.7°	0.0°
C1	C3	C2	C7	180.0°	179.9°
C3	C1	C4	C5	1.0°	0.1°
C3	C1	C4	C8	179.4°	180.0°
C3	C1	C6	C17	100.7°	95.0°
C3	C1	C6	H6	139.3°	145.0°
C3	C1	C6	H6A	19.3°	25.0°
C1	C3	C10	H10	180.0°	90.0°
C1	C3	C10	H10A	60.0°	150.0°
C1	C3	C10	H10B	60.0°	30.0°
C4	C1	C3	C2	1.0°	0.0°
C1	C4	C5	C2	0.5°	0.1°
C4	C1	C3	C10	179.6°	180.0°
C1	C4	C5	C8	179.6°	179.9°
C1	C4	C5	C9	179.6°	180.0°
C4	C1	C6	C17	77.6°	85.3°
C1	C4	C8	C12	179.4°	179.9°
C4	C1	C6	H6	42.4°	34.6°
C4	C1	C6	H6A	162.4°	154.7°
C1	C4	C8	H8	0.6°	0.1°
C1	C6	C17	O1	153.5°	180.0°
C6	C1	C3	C2	179.4°	179.7°
C1	C6	C17	O2	26.2°	0.0°
C6	C1	C3	C10	1.2°	0.3°
C6	C1	C4	C5	179.7°	179.7°
C6	C1	C4	C8	0.8°	0.4°
C1	C6	C17	H6	120.0°	120.0°
C1	C6	C17	H6A	120.0°	120.0°
C1	C6	H6	H6A	122.1°	120.1°
O1	C17	O2	C6	179.6°	179.9°
O1	C17	C6	H6	33.5°	60.0°
O1	C17	C6	H6A	86.5°	60.0°
C3	C2	C5	C7	179.2°	179.9°
C3	C2	C5	C4	0.1°	0.1°
C3	C2	C5	C9	179.7°	180.0°
C3	C2	C7	C11	178.6°	169.3°
C3	C2	C7	H7	1.4°	10.7°
C2	C3	C10	H10	0.6°	90.0°
C2	C3	C10	H10A	120.7°	30.0°
C2	C3	C10	H10B	119.4°	150.0°
C5	C2	C3	C10	179.8°	179.9°
C2	C5	C4	C9	179.8°	180.0°
C2	C5	C4	C8	179.9°	180.0°
C5	C2	C7	C11	2.2°	10.9°
C2	C5	C9	C13	179.6°	179.9°
C5	C2	C7	H7	177.8°	169.2°
C2	C5	C9	H9	0.3°	0.0°
C7	C2	C3	C10	0.6°	0.0°
C7	C2	C5	C4	179.3°	180.0°
C7	C2	C5	C9	0.5°	0.1°
C2	C7	C11	H7	180.0°	179.9°
C2	C7	C11	C14	130.6°	135.6°
C2	C7	C11	C15	50.9°	44.7°
O2	C17	O1	HO1	0.0°	0.1°
O2	C17	C6	H6	146.2°	120.0°
O2	C17	C6	H6A	93.9°	120.1°
C3	C10	H10	H10A	120.0°	120.0°
C3	C10	H10	H10B	120.0°	120.0°
C3	C10	H10A	H10B	120.0°	120.0°
C5	C4	C8	C12	0.1°	0.0°
C4	C5	C9	C13	0.1°	0.0°
C5	C4	C8	H8	179.9°	180.0°
C4	C5	C9	H9	179.9°	179.9°
C8	C4	C5	C9	0.1°	0.1°
C4	C8	C12	H8	180.0°	179.9°
C4	C8	C12	C13	0.4°	0.0°
C5	C9	C13	H9	180.0°	179.9°
C5	C9	C13	C12	0.4°	0.1°
C5	C9	C13	H13	179.6°	180.0°
C6	C17	O1	HO1	179.7°	180.0°
C17	C6	H6	H6A	122.1°	119.9°
C7	C11	C14	C15	178.4°	179.7°
C7	C11	C14	C18	179.7°	180.0°
C7	C11	C15	C19	179.2°	180.0°
C7	C11	C14	H14	0.4°	0.0°
C7	C11	C15	H15	0.7°	0.1°
C8	C12	C13	C9	0.6°	0.1°
C8	C12	C13	H13	179.4°	180.0°
C9	C13	C12	H13	180.0°	179.9°
C11	C14	C18	H14	180.0°	179.9°
C14	C11	C15	C19	0.8°	0.3°
C11	C14	C18	C16	0.4°	0.0°
C14	C11	C7	H7	49.4°	44.5°
C14	C11	C15	H15	179.2°	179.8°
C11	C14	C18	H18	179.6°	180.0°
C15	C11	C14	C18	1.3°	0.3°
C11	C15	C19	H15	180.0°	179.9°
C11	C15	C19	C16	0.6°	0.1°
C15	C11	C7	H7	129.1°	135.2°
C15	C11	C14	H14	178.8°	179.8°
C11	C15	C19	H19	179.4°	180.0°
C13	C12	C8	H8	179.6°	179.9°
C12	C13	C9	H9	179.6°	180.0°
C14	C18	C16	H18	180.0°	179.9°
C14	C18	C16	C19	1.0°	0.2°
C15	C19	C16	C18	1.5°	0.2°
C15	C19	C16	H19	180.0°	180.0°
C16	C18	C14	H14	179.7°	180.0°
C18	C16	C19	H19	178.5°	179.8°
C16	C19	C15	H15	179.4°	180.0°
C19	C16	C18	H18	179.0°	179.7°
H9	C9	C13	H13	0.4°	0.1°
H10	C10	H10A	H10B	120.0°	120.0°
H14	C14	C18	H18	0.3°	0.1°
H15	C15	C19	H19	0.6°	0.0°
H20	C20	H20A	H20B	120.0°	120.1°

Definition date:	2011-05-19
Last modified:	2021-03-01
Release status:	REL
Processing site:	PDBJ
Derived from:	3RX2