LNY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C15	sing	1.43Å	1.42Å
C15	C14	sing	1.47Å	1.47Å
C14	C13	trip	1.17Å	1.18Å
C13	C12	sing	1.43Å	1.33Å
C11	C12	doub	1.36Å	1.38Å	Aromatic
C11	C10	sing	1.37Å	1.41Å	Aromatic
C12	S	sing	1.76Å	1.71Å	Aromatic
C10	C9	doub	1.36Å	1.41Å	Aromatic
S	C9	sing	1.76Å	1.74Å	Aromatic
C9	C8	sing	1.48Å	1.50Å
C8	C7	doub	1.40Å	1.40Å	Aromatic
C8	C16	sing	1.40Å	1.41Å	Aromatic
C7	C4	sing	1.38Å	1.40Å	Aromatic
C16	C2	doub	1.38Å	1.41Å	Aromatic
C4	C5	sing	1.51Å	1.52Å
C4	C3	doub	1.38Å	1.40Å	Aromatic
C2	C3	sing	1.38Å	1.39Å	Aromatic
C2	C1	sing	1.51Å	1.51Å
C5	C6	sing	1.51Å	1.52Å
O3	C6	doub	1.21Å	1.24Å
C6	O2	sing	1.34Å	1.24Å
C1	C	sing	1.51Å	1.51Å
O1	C	doub	1.21Å	1.24Å
C	O	sing	1.34Å	1.24Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.08Å	1.08Å
O2	H4	sing	0.97Å	0.95Å
C11	H5	sing	1.08Å	1.08Å
C15	H6	sing	1.09Å	1.10Å
C15	H7	sing	1.09Å	1.10Å
C16	H8	sing	1.08Å	1.08Å
O	H9	sing	0.97Å	0.95Å
C7	H10	sing	1.08Å	1.08Å
C5	H11	sing	1.09Å	1.10Å
C5	H12	sing	1.09Å	1.10Å
C10	H13	sing	1.08Å	1.08Å
O4	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C15	C14	109.7°	109.4°
O4	C15	H6	109.4°	109.5°
O4	C15	H7	109.4°	109.5°
C15	O4	H14	109.5°	113.9°
C15	C14	C13	174.8°	180.0°
C14	C15	H6	109.4°	109.5°
C14	C15	H7	109.4°	109.4°
C14	C13	C12	173.8°	180.0°
C13	C12	C11	125.0°	125.2°
C13	C12	S	121.1°	125.2°
C12	C11	C10	111.3°	114.7°
C11	C12	S	112.9°	109.6°
C12	C11	H5	124.3°	122.6°
C11	C10	C9	114.0°	114.8°
C10	C11	H5	124.4°	122.7°
C11	C10	H13	123.0°	122.6°
C12	S	C9	91.9°	91.2°
C10	C9	S	109.6°	109.7°
C10	C9	C8	131.4°	125.2°
C9	C10	H13	123.0°	122.6°
S	C9	C8	118.8°	125.1°
C9	C8	C7	118.8°	120.2°
C9	C8	C16	122.0°	120.1°
C7	C8	C16	118.8°	119.7°
C8	C7	C4	120.7°	119.9°
C8	C7	H10	119.7°	120.1°
C8	C16	C2	120.2°	119.8°
C8	C16	H8	119.9°	120.1°
C7	C4	C5	120.4°	119.9°
C7	C4	C3	119.9°	120.1°
C4	C7	H10	119.6°	120.1°
C16	C2	C3	120.1°	120.2°
C16	C2	C1	121.0°	119.9°
C2	C16	H8	119.9°	120.1°
C5	C4	C3	119.4°	120.0°
C4	C5	C6	113.9°	109.4°
C4	C5	H11	108.4°	109.4°
C4	C5	H12	108.4°	109.5°
C4	C3	C2	120.2°	120.3°
C4	C3	H3	119.9°	119.8°
C3	C2	C1	118.8°	119.9°
C2	C3	H3	119.9°	119.9°
C2	C1	C	114.0°	109.5°
C2	C1	H1	108.3°	109.5°
C2	C1	H2	108.3°	109.5°
C5	C6	O3	121.4°	120.0°
C5	C6	O2	118.1°	120.0°
C6	C5	H11	108.3°	109.5°
C6	C5	H12	108.4°	109.5°
O3	C6	O2	120.5°	120.0°
C6	O2	H4	109.5°	117.0°
C1	C	O1	120.6°	120.0°
C1	C	O	118.3°	120.0°
C	C1	H1	108.3°	109.5°
C	C1	H2	108.3°	109.4°
O1	C	O	121.1°	120.0°
C	O	H9	109.5°	117.0°
H1	C1	H2	109.5°	109.5°
H6	C15	H7	109.5°	109.5°
H11	C5	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C15	C14	H6	120.0°	120.0°
O4	C15	C14	H7	120.1°	120.0°
O4	C15	C14	C13	131.7°	76.8°
O4	C15	H6	H7	119.9°	120.0°
C15	C14	C13	C12	1.2°	171.2°
C14	C15	H6	H7	119.9°	120.0°
C14	C15	O4	H14	180.0°	180.0°
C14	C13	C12	C11	130.4°	52.0°
C14	C13	C12	S	37.2°	128.0°
C13	C14	C15	H6	108.3°	43.2°
C13	C14	C15	H7	11.6°	163.2°
C13	C12	C11	S	168.5°	180.0°
C13	C12	C11	C10	173.9°	180.0°
C13	C12	S	C9	174.3°	180.0°
C13	C12	C11	H5	6.2°	0.2°
C12	C11	C10	H5	180.0°	179.8°
C12	C11	C10	C9	2.5°	0.1°
C11	C12	S	C9	5.3°	0.0°
C12	C11	C10	H13	177.6°	179.9°
C10	C11	C12	S	5.4°	0.0°
C11	C10	C9	H13	180.0°	179.8°
C11	C10	C9	S	1.4°	0.1°
C11	C10	C9	C8	175.9°	180.0°
C12	S	C9	C10	3.8°	0.1°
C12	S	C9	C8	179.0°	180.0°
S	C12	C11	H5	174.7°	179.8°
C10	C9	S	C8	175.2°	179.9°
C10	C9	C8	C7	29.8°	179.9°
C10	C9	C8	C16	142.6°	0.2°
C9	C10	C11	H5	177.6°	179.7°
S	C9	C8	C7	156.2°	0.0°
S	C9	C8	C16	31.4°	179.8°
S	C9	C10	H13	178.6°	179.9°
C9	C8	C7	C16	172.6°	179.8°
C9	C8	C7	C4	177.6°	180.0°
C9	C8	C16	C2	177.6°	179.7°
C9	C8	C16	H8	2.4°	0.2°
C9	C8	C7	H10	2.4°	0.3°
C8	C9	C10	H13	4.1°	0.1°
C8	C7	C4	H10	180.0°	179.7°
C7	C8	C16	C2	5.2°	0.1°
C8	C7	C4	C5	177.7°	180.0°
C8	C7	C4	C3	3.7°	0.6°
C7	C8	C16	H8	174.8°	180.0°
C16	C8	C7	C4	5.0°	0.3°
C8	C16	C2	H8	180.0°	179.9°
C8	C16	C2	C3	4.1°	0.1°
C8	C16	C2	C1	178.9°	179.7°
C16	C8	C7	H10	175.1°	180.0°
C7	C4	C5	C3	174.0°	179.4°
C7	C4	C3	C2	2.5°	0.5°
C7	C4	C5	C6	86.8°	90.0°
C7	C4	C3	H3	177.5°	179.4°
C7	C4	C5	H11	33.9°	150.0°
C7	C4	C5	H12	152.6°	30.0°
C16	C2	C3	C4	2.8°	0.2°
C16	C2	C3	C1	177.1°	179.8°
C16	C2	C1	C	102.0°	90.3°
C16	C2	C1	H1	137.3°	29.8°
C16	C2	C1	H2	18.6°	149.8°
C16	C2	C3	H3	177.2°	179.7°
C5	C4	C3	C2	176.6°	180.0°
C4	C5	C6	H11	120.7°	120.0°
C4	C5	C6	H12	120.6°	120.0°
C4	C5	C6	O3	1.8°	0.0°
C4	C5	C6	O2	178.6°	180.0°
C5	C4	C3	H3	3.4°	0.0°
C5	C4	C7	H10	2.3°	0.3°
C4	C5	H11	H12	118.0°	120.0°
C4	C3	C2	H3	180.0°	180.0°
C4	C3	C2	C1	179.8°	180.0°
C3	C4	C5	C6	99.2°	90.5°
C3	C4	C7	H10	176.3°	179.7°
C3	C4	C5	H11	140.2°	29.4°
C3	C4	C5	H12	21.4°	149.5°
C3	C2	C1	C	81.0°	89.9°
C3	C2	C1	H1	39.7°	150.0°
C3	C2	C1	H2	158.4°	30.0°
C3	C2	C16	H8	175.8°	180.0°
C2	C1	C	H1	120.6°	120.0°
C2	C1	C	H2	120.6°	120.0°
C2	C1	C	O1	59.5°	0.0°
C2	C1	C	O	122.2°	180.0°
C2	C1	H1	H2	118.0°	120.0°
C1	C2	C3	H3	0.2°	0.0°
C1	C2	C16	H8	1.1°	0.2°
C5	C6	O3	O2	179.6°	180.0°
C5	C6	O2	H4	179.7°	180.0°
C6	C5	H11	H12	118.0°	120.0°
O3	C6	O2	H4	0.0°	0.1°
O3	C6	C5	H11	122.5°	120.0°
O3	C6	C5	H12	118.8°	120.0°
O2	C6	C5	H11	57.9°	60.0°
O2	C6	C5	H12	60.8°	60.0°
C1	C	O1	O	178.3°	179.9°
C	C1	H1	H2	118.0°	119.9°
C1	C	O	H9	178.3°	180.0°
O1	C	C1	H1	179.9°	120.0°
O1	C	C1	H2	61.2°	120.0°
O1	C	O	H9	0.0°	0.1°
O	C	C1	H1	1.6°	59.9°
O	C	C1	H2	117.1°	60.1°
H5	C11	C10	H13	2.4°	0.1°
H6	C15	O4	H14	60.0°	60.0°
H7	C15	O4	H14	59.9°	60.0°

Release date:	2016-03-30
Definition date:	2016-01-21
Last modified:	2016-03-25
Release status:	REL
Processing site:	PDBJ
Derived from:	5HMY