LVV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.51Å	1.44Å
C1	C6	doub	1.38Å	1.38Å	Aromatic
C1	C2	sing	1.38Å	1.44Å	Aromatic
C6	C5	sing	1.38Å	1.37Å	Aromatic
C2	C3	doub	1.38Å	1.40Å	Aromatic
C5	C4	doub	1.38Å	1.44Å	Aromatic
C3	C4	sing	1.38Å	1.37Å	Aromatic
C4	C7	sing	1.51Å	1.51Å
C7	N	sing	1.47Å	1.52Å
N	C8	sing	1.46Å	1.48Å
N	C11	sing	1.47Å	1.51Å
C8	C9	sing	1.53Å	1.43Å
C9	S	sing	1.82Å	1.73Å
C11	C10	sing	1.53Å	1.50Å
C10	S	sing	1.82Å	1.68Å
O1	S	doub	1.42Å	1.39Å
S	O	doub	1.42Å	1.42Å
C5	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C2	H15	sing	1.08Å	1.08Å
C3	H16	sing	1.08Å	1.08Å
C9	H17	sing	1.09Å	1.10Å
C9	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C6	118.4°	120.0°
C	C1	C2	121.6°	120.0°
C1	C	H10	109.5°	109.5°
C1	C	H11	109.5°	109.5°
C1	C	H12	109.5°	109.4°
C6	C1	C2	120.1°	120.0°
C1	C6	C5	119.8°	120.1°
C1	C6	H2	120.1°	120.0°
C1	C2	C3	119.5°	120.0°
C1	C2	H15	120.3°	120.0°
C6	C5	C4	121.0°	120.0°
C6	C5	H1	119.5°	120.1°
C5	C6	H2	120.1°	120.0°
C2	C3	C4	120.1°	120.0°
C3	C2	H15	120.2°	120.0°
C2	C3	H16	120.0°	120.0°
C5	C4	C3	119.3°	120.0°
C5	C4	C7	123.5°	120.0°
C4	C5	H1	119.5°	120.0°
C3	C4	C7	117.2°	120.0°
C4	C3	H16	119.9°	120.0°
C4	C7	N	113.1°	109.5°
C4	C7	H3	108.5°	109.5°
C4	C7	H4	108.6°	109.4°
C7	N	C8	112.8°	111.0°
C7	N	C11	107.6°	111.0°
N	C7	H3	108.6°	109.5°
N	C7	H4	108.5°	109.4°
C8	N	C11	114.1°	112.4°
N	C8	C9	107.7°	109.9°
N	C8	H5	109.9°	109.5°
N	C8	H6	109.9°	109.3°
N	C11	C10	109.9°	109.9°
N	C11	H13	109.4°	109.4°
N	C11	H14	109.4°	109.4°
C8	C9	S	112.4°	108.7°
C9	C8	H5	109.9°	109.4°
C9	C8	H6	109.9°	109.4°
C8	C9	H17	108.7°	109.6°
C8	C9	H18	108.7°	109.6°
C9	S	C10	97.0°	101.0°
C9	S	O1	104.7°	108.7°
C9	S	O	113.6°	108.7°
S	C9	H17	108.7°	109.6°
S	C9	H18	108.7°	109.6°
C11	C10	S	110.7°	108.7°
C11	C10	H7	109.2°	109.6°
C11	C10	H8	109.2°	109.7°
C10	C11	H13	109.4°	109.4°
C10	C11	H14	109.4°	109.4°
C10	S	O1	104.2°	108.7°
C10	S	O	108.1°	108.7°
S	C10	H7	109.2°	109.6°
S	C10	H8	109.2°	109.6°
O1	S	O	125.3°	119.4°
H3	C7	H4	109.5°	109.5°
H5	C8	H6	109.4°	109.4°
H7	C10	H8	109.5°	109.6°
H10	C	H11	109.5°	109.5°
H10	C	H12	109.5°	109.5°
H11	C	H12	109.4°	109.4°
H13	C11	H14	109.5°	109.3°
H17	C9	H18	109.5°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C6	C2	179.6°	179.9°
C	C1	C6	C5	175.6°	180.0°
C	C1	C2	C3	174.3°	179.7°
C	C1	C6	H2	4.4°	0.0°
C1	C	H10	H11	120.0°	120.0°
C1	C	H10	H12	120.0°	120.0°
C1	C	H11	H12	120.0°	119.9°
C	C1	C2	H15	5.7°	0.1°
C1	C6	C5	H2	180.0°	180.0°
C6	C1	C2	C3	5.2°	0.3°
C1	C6	C5	C4	0.1°	0.0°
C1	C6	C5	H1	179.9°	179.9°
C6	C1	C	H10	90.2°	89.9°
C6	C1	C	H11	149.8°	150.0°
C6	C1	C	H12	29.8°	30.1°
C6	C1	C2	H15	174.8°	180.0°
C2	C1	C6	C5	3.9°	0.1°
C1	C2	C3	H15	180.0°	179.7°
C1	C2	C3	C4	2.3°	0.6°
C2	C1	C6	H2	176.1°	180.0°
C2	C1	C	H10	90.2°	90.0°
C2	C1	C	H11	29.8°	30.1°
C2	C1	C	H12	149.7°	150.0°
C1	C2	C3	H16	177.7°	180.0°
C6	C5	C4	H1	180.0°	179.9°
C6	C5	C4	C3	3.0°	0.3°
C6	C5	C4	C7	178.5°	180.0°
C2	C3	C4	C5	1.7°	0.5°
C2	C3	C4	H16	180.0°	179.5°
C2	C3	C4	C7	179.7°	179.7°
C5	C4	C3	C7	178.6°	179.7°
C5	C4	C7	N	6.2°	89.9°
C4	C5	C6	H2	179.9°	180.0°
C5	C4	C7	H3	114.3°	150.0°
C5	C4	C7	H4	126.8°	30.0°
C5	C4	C3	H16	178.3°	180.0°
C3	C4	C7	N	172.3°	89.8°
C3	C4	C5	H1	177.0°	179.7°
C3	C4	C7	H3	67.1°	30.3°
C3	C4	C7	H4	51.8°	150.3°
C4	C3	C2	H15	177.7°	179.7°
C4	C7	N	H3	120.5°	120.1°
C4	C7	N	H4	120.5°	119.9°
C4	C7	N	C8	144.3°	170.0°
C4	C7	N	C11	89.0°	64.2°
C7	C4	C5	H1	1.5°	0.0°
C4	C7	H3	H4	118.4°	120.0°
C7	C4	C3	H16	0.3°	0.3°
C7	N	C8	C11	123.1°	125.0°
C7	N	C8	C9	176.0°	163.0°
C7	N	C11	C10	175.3°	163.0°
N	C7	H3	H4	118.3°	120.0°
C7	N	C8	H5	64.3°	76.8°
C7	N	C8	H6	56.3°	43.0°
C7	N	C11	H13	55.3°	76.8°
C7	N	C11	H14	64.6°	42.9°
N	C8	C9	H5	119.7°	120.2°
N	C8	C9	H6	119.7°	120.0°
N	C8	C9	S	66.6°	62.7°
C8	N	C11	C10	58.8°	72.0°
C8	N	C7	H3	95.2°	69.9°
C8	N	C7	H4	23.8°	50.1°
N	C8	H5	H6	120.8°	119.8°
C8	N	C11	H13	178.8°	48.1°
C8	N	C11	H14	61.3°	167.9°
N	C8	C9	H17	172.9°	177.6°
N	C8	C9	H18	53.8°	57.1°
C11	N	C8	C9	60.8°	72.0°
N	C11	C10	H13	120.1°	120.1°
N	C11	C10	H14	120.1°	120.1°
N	C11	C10	S	61.3°	62.6°
C11	N	C7	H3	31.5°	55.9°
C11	N	C7	H4	150.5°	175.9°
C11	N	C8	H5	58.9°	48.1°
C11	N	C8	H6	179.4°	167.9°
N	C11	C10	H7	58.8°	57.1°
N	C11	C10	H8	178.5°	177.5°
N	C11	H13	H14	119.8°	119.7°
C8	C9	S	H17	120.5°	119.7°
C8	C9	S	H18	120.4°	119.8°
C8	C9	S	C10	64.7°	52.3°
C8	C9	S	O1	171.5°	166.6°
C8	C9	S	O	48.5°	61.9°
C9	C8	H5	H6	120.8°	119.8°
C8	C9	H17	H18	118.6°	120.4°
C9	S	C10	C11	59.7°	52.3°
C9	S	C10	O1	107.1°	114.3°
C9	S	C10	O	117.7°	114.3°
C9	S	O1	O	133.9°	125.4°
S	C9	C8	H5	53.1°	57.5°
S	C9	C8	H6	173.6°	177.3°
C9	S	C10	H7	60.4°	67.5°
C9	S	C10	H8	179.9°	172.2°
S	C9	H17	H18	118.6°	120.4°
C11	C10	S	H7	120.2°	119.8°
C11	C10	S	H8	120.2°	119.9°
C11	C10	S	O1	166.9°	166.6°
C11	C10	S	O	57.9°	61.9°
C11	C10	H7	H8	119.5°	120.4°
C10	C11	H13	H14	119.8°	119.8°
C10	S	O1	O	124.8°	125.4°
S	C10	H7	H8	119.4°	120.4°
S	C10	C11	H13	178.6°	57.5°
S	C10	C11	H14	58.8°	177.3°
C10	S	C9	H17	174.8°	172.1°
C10	S	C9	H18	55.7°	67.5°
O1	S	C10	H7	46.7°	46.8°
O1	S	C10	H8	73.0°	73.5°
O1	S	C9	H17	68.1°	73.6°
O1	S	C9	H18	51.0°	46.8°
O	S	C10	H7	178.1°	178.3°
O	S	C10	H8	62.2°	57.9°
O	S	C9	H17	72.0°	57.8°
O	S	C9	H18	168.9°	178.3°
H1	C5	C6	H2	0.1°	0.1°
H5	C8	C9	H17	67.3°	62.2°
H5	C8	C9	H18	173.5°	177.3°
H6	C8	C9	H17	53.2°	57.6°
H6	C8	C9	H18	65.9°	62.9°
H7	C10	C11	H13	61.2°	177.3°
H7	C10	C11	H14	178.9°	62.9°
H8	C10	C11	H13	58.4°	62.3°
H8	C10	C11	H14	61.4°	57.4°
H10	C	H11	H12	120.0°	120.1°
H15	C2	C3	H16	2.3°	0.3°

Release date:	2019-08-21
Definition date:	2019-03-15
Last modified:	2019-08-16
Release status:	REL
Processing site:	RCSB
Derived from:	5QPT