LX0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O3	sing	1.34Å	1.25Å
O3	HO3	sing	0.97Å	0.95Å
O2	C1	doub	1.21Å	1.25Å
C1	C4	sing	1.51Å	1.50Å
C6	C4	sing	1.53Å	1.53Å
C4	N5	sing	1.47Å	1.46Å
C4	H4	sing	1.09Å	1.10Å
N5	HN5	sing	1.01Å	1.00Å
N5	HN5A	sing	1.01Å	1.00Å
C6	C7	sing	1.51Å	1.51Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C8	C7	doub	1.38Å	1.39Å	Aromatic
C7	C12	sing	1.38Å	1.40Å	Aromatic
C12	C11	doub	1.38Å	1.39Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C10	C11	sing	1.39Å	1.40Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
C9	C10	doub	1.39Å	1.40Å	Aromatic
C10	C13	sing	1.48Å	1.49Å	Aromatic
C8	C9	sing	1.38Å	1.40Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
N14	C13	doub	1.33Å	1.35Å	Aromatic
C13	N18	sing	1.33Å	1.35Å	Aromatic
N18	C17	doub	1.33Å	1.35Å	Aromatic
N16	C17	sing	1.33Å	1.35Å	Aromatic
C17	N20	sing	1.38Å	1.36Å
C15	N16	doub	1.33Å	1.36Å	Aromatic
N19	C15	sing	1.38Å	1.35Å
N14	C15	sing	1.33Å	1.35Å	Aromatic
N19	HN19	sing	0.97Å	1.00Å
N19	HN1A	sing	0.97Å	1.00Å
N20	C21	sing	1.46Å	1.46Å
N20	HN20	sing	0.97Å	1.00Å
C23	C21	sing	1.51Å	1.50Å
C21	C22	sing	1.53Å	1.53Å
C21	H21	sing	1.09Å	1.10Å
C22	H22	sing	1.09Å	1.10Å
C22	H22A	sing	1.09Å	1.10Å
C22	H22B	sing	1.09Å	1.10Å
C28	C23	doub	1.39Å	1.40Å	Aromatic
C23	C24	sing	1.36Å	1.40Å	Aromatic
C27	C28	sing	1.36Å	1.39Å	Aromatic
C28	H28	sing	1.08Å	1.08Å
C27	C26	doub	1.40Å	1.39Å	Aromatic
C27	H27	sing	1.08Å	1.08Å
C32	C26	sing	1.41Å	1.39Å	Aromatic
C26	C25	sing	1.42Å	1.49Å	Aromatic
C32	C31	doub	1.36Å	1.39Å	Aromatic
C32	H32	sing	1.08Å	1.08Å
C31	C30	sing	1.39Å	1.40Å	Aromatic
C31	H31	sing	1.08Å	1.08Å
C30	C29	doub	1.36Å	1.40Å	Aromatic
C30	H30	sing	1.08Å	1.08Å
C25	C29	sing	1.40Å	1.39Å	Aromatic
C29	H29	sing	1.08Å	1.08Å
C25	C24	doub	1.41Å	1.39Å	Aromatic
C24	H24	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O3	HO3	109.5°	117.0°
O3	C1	O2	122.6°	120.1°
O3	C1	C4	119.0°	120.0°
O2	C1	C4	118.4°	119.9°
C1	C4	C6	106.6°	109.5°
C1	C4	N5	110.4°	109.5°
C1	C4	H4	110.8°	109.4°
C6	C4	N5	109.5°	109.5°
C6	C4	H4	111.6°	109.5°
C4	C6	C7	114.0°	109.5°
C4	C6	H6	108.0°	109.5°
C4	C6	H6A	107.0°	109.4°
N5	C4	H4	108.0°	109.5°
C4	N5	HN5	109.5°	111.0°
C4	N5	HN5A	109.4°	111.0°
HN5	N5	HN5A	109.5°	111.0°
C7	C6	H6	108.0°	109.5°
C7	C6	H6A	107.0°	109.5°
C6	C7	C8	120.7°	119.9°
C6	C7	C12	119.3°	119.8°
H6	C6	H6A	113.1°	109.5°
C8	C7	C12	119.9°	120.3°
C7	C8	C9	120.3°	120.2°
C7	C8	H8	119.9°	119.9°
C7	C12	C11	119.8°	120.1°
C7	C12	H12	120.1°	120.0°
C11	C12	H12	120.1°	120.0°
C12	C11	C10	120.3°	119.9°
C12	C11	H11	119.9°	120.0°
C10	C11	H11	119.9°	120.1°
C11	C10	C9	119.7°	119.8°
C11	C10	C13	120.0°	120.1°
C9	C10	C13	120.2°	120.1°
C10	C9	C8	119.9°	119.8°
C10	C9	H9	120.0°	120.1°
C10	C13	N14	120.6°	120.0°
C10	C13	N18	119.8°	120.0°
C8	C9	H9	120.0°	120.1°
C9	C8	H8	119.8°	119.9°
N14	C13	N18	119.5°	120.0°
C13	N14	C15	120.6°	120.0°
C13	N18	C17	120.3°	120.0°
N18	C17	N16	119.9°	120.0°
N18	C17	N20	120.1°	120.0°
N16	C17	N20	120.0°	120.0°
C17	N16	C15	119.9°	120.1°
C17	N20	C21	122.3°	120.0°
C17	N20	HN20	105.4°	120.0°
N16	C15	N19	120.8°	120.0°
N16	C15	N14	119.8°	120.0°
N19	C15	N14	119.4°	120.0°
C15	N19	HN19	109.5°	120.0°
C15	N19	HN1A	109.5°	120.0°
HN19	N19	HN1A	109.5°	120.1°
C21	N20	HN20	105.4°	120.0°
N20	C21	C23	113.2°	109.5°
N20	C21	C22	108.5°	109.5°
N20	C21	H21	108.1°	109.5°
C23	C21	C22	111.0°	109.5°
C23	C21	H21	105.5°	109.4°
C21	C23	C28	121.0°	119.5°
C21	C23	C24	119.5°	119.5°
C22	C21	H21	110.5°	109.4°
C21	C22	H22	109.5°	109.4°
C21	C22	H22A	109.5°	109.5°
C21	C22	H22B	109.5°	109.5°
H22	C22	H22A	109.4°	109.5°
H22	C22	H22B	109.4°	109.4°
H22A	C22	H22B	109.5°	109.5°
C28	C23	C24	119.5°	120.9°
C23	C28	C27	122.8°	121.0°
C23	C28	H28	118.6°	119.5°
C23	C24	C25	120.2°	119.7°
C23	C24	H24	119.9°	120.2°
C27	C28	H28	118.6°	119.5°
C28	C27	C26	119.2°	119.7°
C28	C27	H27	120.4°	120.1°
C26	C27	H27	120.4°	120.2°
C27	C26	C32	121.5°	121.3°
C27	C26	C25	118.8°	119.3°
C32	C26	C25	119.7°	119.4°
C26	C32	C31	119.2°	119.7°
C26	C32	H32	120.4°	120.1°
C26	C25	C29	119.0°	119.3°
C26	C25	C24	119.6°	119.4°
C31	C32	H32	120.4°	120.2°
C32	C31	C30	121.0°	121.0°
C32	C31	H31	119.5°	119.5°
C30	C31	H31	119.5°	119.5°
C31	C30	C29	121.7°	121.0°
C31	C30	H30	119.1°	119.5°
C29	C30	H30	119.1°	119.4°
C30	C29	C25	119.3°	119.6°
C30	C29	H29	120.3°	120.2°
C25	C29	H29	120.4°	120.2°
C29	C25	C24	121.4°	121.3°
C25	C24	H24	119.9°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C1	O2	C4	179.1°	180.0°
O3	C1	C4	C6	103.6°	80.0°
O3	C1	C4	N5	15.2°	160.0°
O3	C1	C4	H4	134.7°	40.0°
HO3	O3	C1	O2	0.0°	0.0°
HO3	O3	C1	C4	179.1°	180.0°
O2	C1	C4	C6	75.5°	100.0°
O2	C1	C4	N5	165.7°	20.0°
O2	C1	C4	H4	46.1°	140.0°
C1	C4	C6	N5	119.4°	120.0°
C1	C4	C6	H4	121.1°	119.9°
C1	C4	N5	H4	121.2°	120.0°
C1	C4	N5	HN5	135.1°	64.0°
C1	C4	N5	HN5A	15.1°	60.0°
C1	C4	C6	C7	176.0°	175.0°
C1	C4	C6	H6	64.0°	65.0°
C1	C4	C6	H6A	58.0°	55.0°
C6	C4	N5	H4	121.7°	120.0°
C6	C4	N5	HN5	107.8°	176.0°
C6	C4	N5	HN5A	132.2°	60.0°
C4	C6	C7	H6	120.0°	120.0°
C4	C6	C7	H6A	118.0°	119.9°
C4	C6	H6	H6A	118.1°	120.0°
C4	C6	C7	C8	66.2°	90.3°
C4	C6	C7	C12	115.3°	90.0°
C4	N5	HN5	HN5A	120.0°	124.0°
N5	C4	C6	C7	64.6°	65.0°
N5	C4	C6	H6	55.4°	55.0°
N5	C4	C6	H6A	177.4°	175.0°
H4	C4	N5	HN5	13.9°	56.0°
H4	C4	N5	HN5A	106.1°	180.0°
H4	C4	C6	C7	55.0°	55.0°
H4	C4	C6	H6	175.0°	175.0°
H4	C4	C6	H6A	63.0°	65.0°
C7	C6	H6	H6A	118.1°	120.0°
C6	C7	C8	C12	178.5°	179.7°
C6	C7	C12	C11	179.2°	180.0°
C6	C7	C12	H12	0.8°	0.0°
C6	C7	C8	C9	179.4°	179.7°
C6	C7	C8	H8	0.6°	0.1°
H6	C6	C7	C8	173.8°	149.7°
H6	C6	C7	C12	4.7°	30.0°
H6A	C6	C7	C8	51.8°	29.6°
H6A	C6	C7	C12	126.7°	150.0°
C8	C7	C12	C11	0.7°	0.3°
C8	C7	C12	H12	179.3°	179.7°
C7	C8	C9	C10	0.3°	0.6°
C7	C8	C9	H8	180.0°	179.6°
C7	C8	C9	H9	179.7°	179.7°
C7	C12	C11	H12	180.0°	180.0°
C7	C12	C11	C10	0.1°	0.0°
C7	C12	C11	H11	179.9°	179.9°
C12	C7	C8	C9	0.9°	0.6°
C12	C7	C8	H8	179.1°	179.8°
C12	C11	C10	H11	180.0°	179.9°
C12	C11	C10	C9	0.7°	0.0°
C12	C11	C10	C13	179.1°	180.0°
H12	C12	C11	C10	179.9°	180.0°
H12	C12	C11	H11	0.1°	0.0°
C11	C10	C9	C13	178.4°	180.0°
C11	C10	C9	C8	0.5°	0.2°
C11	C10	C9	H9	179.5°	180.0°
C11	C10	C13	N14	178.4°	0.3°
C11	C10	C13	N18	3.7°	180.0°
H11	C11	C10	C9	179.3°	180.0°
H11	C11	C10	C13	0.9°	0.1°
C10	C9	C8	H9	180.0°	179.8°
C10	C9	C8	H8	179.7°	179.8°
C9	C10	C13	N14	3.2°	179.8°
C9	C10	C13	N18	174.6°	0.0°
C13	C10	C9	C8	178.9°	179.7°
C13	C10	C9	H9	1.1°	0.1°
C10	C13	N14	N18	177.8°	179.7°
C10	C13	N18	C17	178.8°	180.0°
C10	C13	N14	C15	178.8°	179.8°
H9	C9	C8	H8	0.3°	0.0°
N14	C13	N18	C17	0.9°	0.3°
C13	N14	C15	N16	0.6°	0.5°
C13	N14	C15	N19	179.1°	179.7°
C13	N18	C17	N16	0.6°	0.1°
C13	N18	C17	N20	179.8°	180.0°
N18	C13	N14	C15	0.9°	0.5°
N18	C17	N16	N20	179.6°	179.9°
N18	C17	N16	C15	0.3°	0.1°
N18	C17	N20	C21	7.8°	180.0°
N18	C17	N20	HN20	127.8°	0.0°
C17	N16	C15	N19	179.4°	179.9°
C17	N16	C15	N14	0.3°	0.2°
N16	C17	N20	C21	171.8°	0.1°
N16	C17	N20	HN20	51.8°	179.9°
N20	C17	N16	C15	179.9°	180.0°
C17	N20	C21	HN20	120.0°	180.0°
C17	N20	C21	C23	71.8°	155.0°
C17	N20	C21	C22	164.6°	85.0°
C17	N20	C21	H21	44.7°	35.0°
N16	C15	N19	N14	179.7°	179.8°
N16	C15	N19	HN19	122.6°	0.0°
N16	C15	N19	HN1A	117.4°	179.9°
C15	N19	HN19	HN1A	120.0°	179.9°
N14	C15	N19	HN19	57.7°	179.8°
N14	C15	N19	HN1A	62.3°	0.3°
N20	C21	C23	C22	122.3°	120.0°
N20	C21	C23	H21	118.0°	120.0°
N20	C21	C22	H21	118.4°	120.0°
N20	C21	C22	H22	105.5°	60.1°
N20	C21	C22	H22A	134.5°	60.0°
N20	C21	C22	H22B	14.4°	180.0°
N20	C21	C23	C28	5.3°	40.3°
N20	C21	C23	C24	174.0°	140.0°
HN20	N20	C21	C23	48.3°	25.0°
HN20	N20	C21	C22	75.4°	95.0°
HN20	N20	C21	H21	164.7°	145.0°
C23	C21	C22	H21	116.7°	120.0°
C23	C21	C22	H22	129.5°	60.0°
C23	C21	C22	H22A	9.5°	180.0°
C23	C21	C22	H22B	110.5°	59.9°
C21	C23	C28	C24	179.3°	179.7°
C21	C23	C28	C27	179.7°	180.0°
C21	C23	C28	H28	0.3°	0.1°
C21	C23	C24	C25	180.0°	179.8°
C21	C23	C24	H24	0.0°	0.0°
C21	C22	H22	H22A	120.0°	120.0°
C21	C22	H22	H22B	120.0°	120.0°
C21	C22	H22A	H22B	120.0°	120.0°
C22	C21	C23	C28	116.9°	79.7°
C22	C21	C23	C24	63.8°	100.0°
H21	C21	C22	H22	12.8°	179.9°
H21	C21	C22	H22A	107.1°	60.0°
H21	C21	C22	H22B	132.8°	60.0°
H21	C21	C23	C28	123.4°	160.3°
H21	C21	C23	C24	56.0°	20.0°
H22	C22	H22A	H22B	120.0°	120.0°
C23	C28	C27	H28	180.0°	179.9°
C23	C28	C27	C26	0.1°	0.0°
C23	C28	C27	H27	179.9°	179.9°
C28	C23	C24	C25	0.7°	0.6°
C28	C23	C24	H24	179.3°	179.7°
C24	C23	C28	C27	0.4°	0.3°
C24	C23	C28	H28	179.6°	179.8°
C23	C24	C25	C26	0.5°	0.5°
C23	C24	C25	C29	179.6°	179.7°
C23	C24	C25	H24	180.0°	179.8°
C28	C27	C26	H27	180.0°	180.0°
C28	C27	C26	C32	180.0°	179.9°
C28	C27	C26	C25	0.3°	0.0°
H28	C28	C27	C26	179.9°	179.9°
H28	C28	C27	H27	0.1°	0.0°
C27	C26	C32	C25	179.7°	179.9°
C27	C26	C32	C31	180.0°	179.9°
C27	C26	C32	H32	0.0°	0.1°
C27	C26	C25	C29	179.9°	180.0°
C27	C26	C25	C24	0.0°	0.2°
H27	C27	C26	C32	0.0°	0.1°
H27	C27	C26	C25	179.7°	180.0°
C26	C32	C31	H32	180.0°	180.0°
C26	C32	C31	C30	0.2°	0.0°
C26	C32	C31	H31	179.8°	179.9°
C32	C26	C25	C29	0.2°	0.1°
C32	C26	C25	C24	179.7°	179.7°
C25	C26	C32	C31	0.3°	0.0°
C25	C26	C32	H32	179.8°	180.0°
C26	C25	C29	C30	0.0°	0.1°
C26	C25	C29	C24	179.9°	179.8°
C26	C25	C29	H29	180.0°	179.9°
C26	C25	C24	H24	179.5°	179.8°
C32	C31	C30	H31	180.0°	179.9°
C32	C31	C30	C29	0.0°	0.1°
C32	C31	C30	H30	180.0°	180.0°
H32	C32	C31	C30	179.8°	180.0°
H32	C32	C31	H31	0.2°	0.1°
C31	C30	C29	H30	180.0°	180.0°
C31	C30	C29	C25	0.1°	0.0°
C31	C30	C29	H29	179.9°	180.0°
H31	C31	C30	C29	180.0°	180.0°
H31	C31	C30	H30	0.0°	0.1°
C30	C29	C25	H29	180.0°	180.0°
C30	C29	C25	C24	179.9°	179.7°
H30	C30	C29	C25	179.9°	180.0°
H30	C30	C29	H29	0.1°	0.0°
C29	C25	C24	H24	0.4°	0.1°
H29	C29	C25	C24	0.1°	0.3°

Definition date:	2009-05-13
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3HF6