VSM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O16	C16	doub	1.21Å	1.27Å
C16	C15	sing	1.52Å	1.43Å
C16	C17	sing	1.53Å	1.42Å
C15	C14	sing	1.53Å	1.54Å
C17	C13	sing	1.53Å	1.53Å
C13	C14	sing	1.55Å	1.47Å
C13	C12	sing	1.52Å	1.51Å
C14	C8	sing	1.52Å	1.58Å
C14	C18	sing	1.53Å	1.57Å
C7	C8	sing	1.52Å	1.57Å
C7	C6	sing	1.53Å	1.60Å
C8	C9	sing	1.51Å	1.49Å
C6	C5	sing	1.53Å	1.58Å
C12	C11	sing	1.54Å	1.55Å
C9	C11	sing	1.52Å	1.45Å
C9	C10	doub	1.31Å	1.43Å
C5	C10	sing	1.50Å	1.44Å
C5	C	sing	1.53Å	1.52Å
C5	C4	sing	1.53Å	1.56Å
C10	C1	sing	1.51Å	1.41Å
C4	C3	sing	1.53Å	1.47Å
C1	C2	sing	1.52Å	1.57Å
C2	C3	sing	1.52Å	1.50Å
C3	O3	sing	1.43Å	1.51Å
O3	S22	sing	1.52Å	1.60Å
N19	S22	sing	1.66Å	1.57Å
S22	O20	doub	1.42Å	1.53Å
S22	O21	doub	1.42Å	1.51Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å
C11	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å
C12	H18	sing	1.09Å	1.10Å
C13	H19	sing	1.09Å	1.10Å
C15	H20	sing	1.09Å	1.10Å
C15	H21	sing	1.09Å	1.10Å
C17	H22	sing	1.09Å	1.10Å
C17	H23	sing	1.09Å	1.10Å
C18	H24	sing	1.09Å	1.10Å
C18	H25	sing	1.09Å	1.10Å
C18	H26	sing	1.09Å	1.10Å
C	H27	sing	1.09Å	1.10Å
C	H28	sing	1.09Å	1.10Å
C	H29	sing	1.09Å	1.10Å
N19	H30	sing	0.97Å	1.00Å
N19	H31	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O16	C16	C15	122.9°	126.5°
O16	C16	C17	123.8°	126.5°
C15	C16	C17	113.3°	107.1°
C16	C15	C14	103.6°	105.7°
C16	C15	H20	110.9°	110.2°
C16	C15	H21	110.9°	110.2°
C16	C17	C13	97.8°	103.2°
C16	C17	H22	112.3°	110.7°
C16	C17	H23	112.3°	110.7°
C15	C14	C13	97.7°	102.8°
C15	C14	C8	114.6°	115.9°
C15	C14	C18	109.4°	110.7°
C14	C15	H20	110.9°	110.3°
C14	C15	H21	110.9°	110.2°
C17	C13	C14	103.9°	101.3°
C17	C13	C12	118.4°	115.6°
C17	C13	H19	107.8°	111.2°
C13	C17	H22	112.3°	110.7°
C13	C17	H23	112.3°	110.7°
C14	C13	C12	109.6°	107.2°
C13	C14	C8	102.3°	107.0°
C13	C14	C18	115.7°	110.1°
C14	C13	H19	108.6°	110.6°
C13	C12	C11	110.4°	107.4°
C13	C12	H17	109.2°	109.9°
C13	C12	H18	109.3°	109.9°
C12	C13	H19	108.1°	110.4°
C8	C14	C18	115.8°	110.0°
C14	C8	C7	111.9°	110.6°
C14	C8	C9	113.3°	107.3°
C14	C8	H12	104.2°	108.5°
C14	C18	H24	109.5°	109.5°
C14	C18	H25	109.4°	109.4°
C14	C18	H26	109.5°	109.5°
C8	C7	C6	102.3°	109.9°
C7	C8	C9	116.6°	112.4°
C8	C7	H10	111.2°	109.4°
C8	C7	H11	111.2°	109.4°
C7	C8	H12	104.2°	108.9°
C7	C6	C5	110.4°	108.9°
C7	C6	H8	109.3°	109.5°
C7	C6	H9	109.2°	109.7°
C6	C7	H10	111.2°	109.4°
C6	C7	H11	111.2°	109.4°
C8	C9	C11	113.2°	119.2°
C8	C9	C10	123.6°	124.0°
C9	C8	H12	105.0°	109.0°
C6	C5	C10	102.8°	110.4°
C6	C5	C	117.6°	109.2°
C6	C5	C4	109.5°	108.1°
C5	C6	H8	109.2°	109.5°
C5	C6	H9	109.3°	109.6°
C12	C11	C9	113.0°	110.3°
C12	C11	H15	108.6°	109.3°
C12	C11	H16	108.6°	109.2°
C11	C12	H17	109.2°	109.9°
C11	C12	H18	109.2°	109.9°
C11	C9	C10	120.8°	116.7°
C9	C11	H15	108.6°	109.3°
C9	C11	H16	108.6°	109.3°
C9	C10	C5	119.3°	122.7°
C9	C10	C1	120.4°	116.5°
C10	C5	C	107.3°	109.3°
C10	C5	C4	118.3°	110.4°
C5	C10	C1	119.2°	120.8°
C	C5	C4	102.0°	109.3°
C5	C	H27	109.5°	109.5°
C5	C	H28	109.5°	109.5°
C5	C	H29	109.5°	109.4°
C5	C4	C3	115.4°	109.1°
C5	C4	H6	108.0°	109.6°
C5	C4	H7	108.0°	109.6°
C10	C1	C2	110.2°	112.7°
C10	C1	H1	109.3°	108.8°
C10	C1	H2	109.3°	108.8°
C4	C3	C2	108.1°	109.2°
C4	C3	O3	103.2°	109.5°
C4	C3	H5	111.9°	109.6°
C3	C4	H6	108.0°	109.5°
C3	C4	H7	108.0°	109.5°
C1	C2	C3	111.0°	111.4°
C2	C1	H1	109.3°	108.8°
C2	C1	H2	109.3°	108.9°
C1	C2	H3	109.1°	109.1°
C1	C2	H4	109.1°	109.1°
C2	C3	O3	110.6°	109.5°
C3	C2	H3	109.1°	109.1°
C3	C2	H4	109.1°	109.1°
C2	C3	H5	111.4°	109.5°
C3	O3	S22	117.6°	114.0°
O3	C3	H5	111.3°	109.5°
O3	S22	N19	101.9°	107.2°
O3	S22	O20	110.9°	106.4°
O3	S22	O21	113.0°	106.4°
N19	S22	O20	111.8°	106.4°
N19	S22	O21	107.4°	106.4°
S22	N19	H30	109.5°	120.0°
S22	N19	H31	109.5°	120.0°
O20	S22	O21	111.5°	123.2°
H1	C1	H2	109.5°	108.8°
H3	C2	H4	109.4°	109.0°
H6	C4	H7	109.4°	109.5°
H8	C6	H9	109.4°	109.6°
H10	C7	H11	109.5°	109.3°
H15	C11	H16	109.5°	109.3°
H17	C12	H18	109.4°	109.8°
H20	C15	H21	109.5°	110.2°
H22	C17	H23	109.5°	110.7°
H24	C18	H25	109.5°	109.5°
H24	C18	H26	109.5°	109.5°
H25	C18	H26	109.5°	109.4°
H27	C	H28	109.5°	109.5°
H27	C	H29	109.5°	109.4°
H28	C	H29	109.5°	109.5°
H30	N19	H31	109.5°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O16	C16	C15	C17	179.1°	180.0°
O16	C16	C15	C14	175.2°	176.9°
O16	C16	C17	C13	156.5°	155.9°
O16	C16	C15	H20	56.2°	64.0°
O16	C16	C15	H21	65.7°	57.8°
O16	C16	C17	H22	38.5°	85.7°
O16	C16	C17	H23	85.5°	37.5°
C16	C15	C14	H20	119.1°	119.1°
C16	C15	C14	H21	119.1°	119.1°
C15	C16	C17	C13	22.6°	24.1°
C16	C15	C14	C13	32.5°	28.7°
C16	C15	C14	C8	139.8°	145.0°
C16	C15	C14	C18	88.2°	88.8°
C16	C15	H20	H21	122.7°	121.9°
C15	C16	C17	H22	140.7°	94.4°
C15	C16	C17	H23	95.4°	142.5°
C17	C16	C15	C14	5.6°	3.1°
C16	C17	C13	H22	118.0°	118.4°
C16	C17	C13	H23	118.0°	118.4°
C16	C17	C13	C14	44.4°	41.3°
C16	C17	C13	C12	166.2°	156.7°
C16	C17	C13	H19	70.8°	76.3°
C17	C16	C15	H20	124.7°	116.0°
C17	C16	C15	H21	113.4°	122.2°
C16	C17	H22	H23	125.5°	123.1°
C15	C14	C13	C17	47.4°	43.4°
C15	C14	C13	C8	117.3°	122.6°
C15	C14	C13	C18	115.9°	118.0°
C15	C14	C13	C12	174.9°	164.9°
C15	C14	C8	C18	128.8°	126.5°
C15	C14	C8	C7	58.4°	63.8°
C15	C14	C8	C9	167.2°	173.2°
C15	C14	C8	H12	53.6°	55.6°
C15	C14	C13	H19	67.2°	74.7°
C14	C15	H20	H21	122.7°	121.8°
C15	C14	C18	H24	180.0°	53.7°
C15	C14	C18	H25	60.0°	66.3°
C15	C14	C18	H26	60.0°	173.7°
C17	C13	C14	C12	127.5°	121.5°
C17	C13	C14	H19	114.6°	118.0°
C17	C13	C12	H19	122.9°	127.3°
C17	C13	C14	C8	164.7°	165.9°
C17	C13	C14	C18	68.5°	74.6°
C17	C13	C12	C11	176.9°	179.6°
C17	C13	C12	H17	56.8°	60.1°
C17	C13	C12	H18	62.9°	60.9°
C13	C17	H22	H23	125.5°	123.1°
C14	C13	C12	H19	118.3°	120.5°
C13	C14	C8	C18	126.7°	119.5°
C13	C14	C8	C7	162.8°	177.8°
C13	C14	C8	C9	62.8°	59.2°
C14	C13	C12	C11	64.2°	67.5°
C13	C14	C8	H12	50.8°	58.4°
C14	C13	C12	H17	175.7°	52.0°
C14	C13	C12	H18	56.0°	173.0°
C13	C14	C15	H20	151.6°	90.4°
C13	C14	C15	H21	86.5°	147.8°
C14	C13	C17	H22	162.4°	77.2°
C14	C13	C17	H23	73.7°	159.7°
C13	C14	C18	H24	71.0°	59.3°
C13	C14	C18	H25	49.0°	179.3°
C13	C14	C18	H26	169.0°	60.7°
C12	C13	C14	C8	67.8°	72.5°
C12	C13	C14	C18	59.0°	46.9°
C13	C12	C11	H17	120.1°	119.5°
C13	C12	C11	H18	120.2°	119.5°
C13	C12	C11	C9	48.8°	52.3°
C13	C12	C11	H15	71.8°	172.6°
C13	C12	C11	H16	169.3°	67.9°
C13	C12	H17	H18	119.6°	121.0°
C12	C13	C17	H22	75.8°	38.3°
C12	C13	C17	H23	48.1°	84.8°
C14	C8	C7	C9	132.8°	120.0°
C14	C8	C7	H12	112.0°	119.1°
C14	C8	C7	C6	166.8°	161.3°
C14	C8	C9	H12	113.1°	117.3°
C14	C8	C9	C11	52.2°	49.0°
C14	C8	C9	C10	145.2°	131.1°
C14	C8	C7	H10	48.0°	78.5°
C14	C8	C7	H11	74.3°	41.2°
C8	C14	C13	H19	50.1°	47.9°
C8	C14	C15	H20	101.1°	25.9°
C8	C14	C15	H21	20.7°	95.9°
C8	C14	C18	H24	48.7°	176.9°
C8	C14	C18	H25	168.7°	63.1°
C8	C14	C18	H26	71.3°	56.9°
C18	C14	C8	C7	70.4°	62.7°
C18	C14	C8	C9	64.0°	60.3°
C18	C14	C8	H12	177.5°	177.9°
C18	C14	C13	H19	177.0°	167.3°
C18	C14	C15	H20	30.9°	152.1°
C18	C14	C15	H21	152.7°	30.3°
C14	C18	H24	H25	120.0°	120.0°
C14	C18	H24	H26	120.0°	120.1°
C14	C18	H25	H26	120.0°	120.0°
C8	C7	C6	H10	118.8°	120.2°
C8	C7	C6	H11	118.9°	120.1°
C7	C8	C9	H12	114.8°	120.8°
C8	C7	C6	C5	65.9°	64.2°
C7	C8	C9	C11	175.7°	170.9°
C7	C8	C9	C10	13.0°	9.2°
C8	C7	C6	H8	173.9°	55.6°
C8	C7	C6	H9	54.2°	175.9°
C8	C7	H10	H11	123.3°	119.8°
C6	C7	C8	C9	34.1°	41.4°
C7	C6	C5	H8	120.2°	119.7°
C7	C6	C5	H9	120.2°	120.0°
C7	C6	C5	C10	73.0°	52.8°
C7	C6	C5	C	44.6°	67.5°
C7	C6	C5	C4	160.4°	173.6°
C7	C6	H8	H9	119.6°	120.4°
C6	C7	H10	H11	123.3°	119.7°
C6	C7	C8	H12	81.2°	79.5°
C8	C9	C11	C12	43.5°	45.7°
C8	C9	C11	C10	163.2°	179.9°
C8	C9	C10	C5	19.9°	1.2°
C8	C9	C10	C1	172.2°	178.0°
C9	C8	C7	H10	84.8°	161.5°
C9	C8	C7	H11	152.9°	78.7°
C8	C9	C11	H15	77.1°	166.0°
C8	C9	C11	H16	164.0°	74.4°
C6	C5	C10	C9	46.2°	21.2°
C6	C5	C10	C	124.6°	120.2°
C6	C5	C10	C4	120.8°	119.4°
C6	C5	C	C4	119.8°	118.1°
C6	C5	C10	C1	145.7°	159.6°
C6	C5	C4	C3	144.7°	174.4°
C6	C5	C4	H6	94.4°	54.5°
C6	C5	C4	H7	23.8°	65.7°
C5	C6	H8	H9	119.6°	120.3°
C5	C6	C7	H10	52.9°	175.7°
C5	C6	C7	H11	175.2°	56.0°
C6	C5	C	H27	180.0°	61.0°
C6	C5	C	H28	60.0°	59.0°
C6	C5	C	H29	60.0°	179.0°
C12	C11	C9	H15	120.5°	120.3°
C12	C11	C9	H16	120.5°	120.1°
C12	C11	C9	C10	153.4°	134.4°
C12	C11	H15	H16	118.4°	119.5°
C11	C12	H17	H18	119.6°	121.0°
C11	C12	C13	H19	54.1°	53.0°
C11	C9	C10	C5	178.7°	178.7°
C11	C9	C10	C1	10.8°	2.1°
C11	C9	C8	H12	60.9°	68.3°
C9	C11	H15	H16	118.4°	119.7°
C9	C11	C12	H17	168.9°	67.2°
C9	C11	C12	H18	71.4°	171.8°
C9	C10	C5	C1	168.0°	179.2°
C9	C10	C5	C	78.4°	99.1°
C9	C10	C5	C4	167.0°	140.6°
C9	C10	C1	C2	152.2°	145.2°
C9	C10	C1	H1	32.1°	94.1°
C9	C10	C1	H2	87.7°	24.3°
C10	C9	C8	H12	101.8°	111.7°
C10	C9	C11	H15	86.1°	14.1°
C10	C9	C11	H16	32.9°	105.5°
C10	C5	C	C4	125.1°	121.0°
C10	C5	C4	C3	27.4°	53.5°
C5	C10	C1	C2	39.9°	35.6°
C5	C10	C1	H1	160.0°	85.2°
C5	C10	C1	H2	80.2°	156.4°
C10	C5	C4	H6	148.3°	66.3°
C10	C5	C4	H7	93.5°	173.4°
C10	C5	C6	H8	166.9°	67.0°
C10	C5	C6	H9	47.2°	172.8°
C10	C5	C	H27	64.9°	59.9°
C10	C5	C	H28	55.1°	180.0°
C10	C5	C	H29	175.1°	60.0°
C	C5	C10	C1	89.6°	80.1°
C	C5	C4	C3	90.0°	66.8°
C	C5	C4	H6	30.9°	173.3°
C	C5	C4	H7	149.2°	53.1°
C	C5	C6	H8	75.6°	172.7°
C	C5	C6	H9	164.8°	52.5°
C5	C	H27	H28	120.0°	120.1°
C5	C	H27	H29	120.0°	119.9°
C5	C	H28	H29	120.0°	120.0°
C4	C5	C10	C1	24.9°	40.2°
C5	C4	C3	H6	120.9°	119.9°
C5	C4	C3	H7	120.9°	120.0°
C5	C4	C3	C2	45.8°	66.0°
C5	C4	C3	O3	162.9°	174.1°
C5	C4	C3	H5	77.3°	53.9°
C5	C4	H6	H7	117.3°	120.3°
C4	C5	C6	H8	40.2°	53.9°
C4	C5	C6	H9	79.5°	66.4°
C4	C5	C	H27	60.2°	179.1°
C4	C5	C	H28	179.8°	59.0°
C4	C5	C	H29	59.8°	61.0°
C10	C1	C2	H1	120.1°	120.8°
C10	C1	C2	H2	120.1°	120.8°
C10	C1	C2	C3	60.1°	44.3°
C10	C1	H1	H2	119.7°	118.4°
C10	C1	C2	H3	60.2°	76.2°
C10	C1	C2	H4	179.7°	164.8°
C4	C3	C2	C1	62.5°	61.2°
C4	C3	C2	O3	112.3°	119.9°
C4	C3	C2	H5	123.4°	119.9°
C4	C3	O3	H5	120.2°	120.2°
C4	C3	O3	S22	115.1°	145.3°
C4	C3	C2	H3	57.7°	59.3°
C4	C3	C2	H4	177.3°	178.3°
C3	C4	H6	H7	117.3°	120.1°
C1	C2	C3	H3	120.3°	120.4°
C1	C2	C3	H4	120.2°	120.5°
C1	C2	C3	O3	174.9°	178.9°
C2	C1	H1	H2	119.6°	118.4°
C1	C2	H3	H4	119.3°	119.1°
C1	C2	C3	H5	60.8°	58.8°
C2	C3	O3	H5	124.4°	120.1°
C2	C3	O3	S22	129.5°	95.0°
C3	C2	C1	H1	179.8°	76.5°
C3	C2	C1	H2	60.0°	165.1°
C3	C2	H3	H4	119.3°	119.1°
C2	C3	C4	H6	166.6°	53.9°
C2	C3	C4	H7	75.1°	174.0°
C3	O3	S22	N19	177.1°	75.0°
C3	O3	S22	O20	58.0°	171.5°
C3	O3	S22	O21	68.0°	38.6°
O3	C3	C2	H3	54.6°	60.6°
O3	C3	C2	H4	64.9°	58.4°
O3	C3	C4	H6	76.2°	66.0°
O3	C3	C4	H7	42.0°	54.1°
O3	S22	N19	O20	118.5°	113.5°
O3	S22	N19	O21	118.9°	113.5°
O3	S22	O20	O21	126.8°	122.9°
S22	O3	C3	H5	5.2°	25.1°
O3	S22	N19	H30	180.0°	150.0°
O3	S22	N19	H31	60.0°	30.0°
N19	S22	O20	O21	120.2°	123.0°
S22	N19	H30	H31	120.0°	180.0°
O20	S22	N19	H30	61.6°	36.5°
O20	S22	N19	H31	58.5°	143.5°
O21	S22	N19	H30	61.0°	96.5°
O21	S22	N19	H31	178.9°	83.5°
H1	C1	C2	H3	59.9°	163.0°
H1	C1	C2	H4	59.6°	44.0°
H2	C1	C2	H3	179.7°	44.6°
H2	C1	C2	H4	60.2°	74.4°
H3	C2	C3	H5	178.9°	179.2°
H4	C2	C3	H5	59.4°	61.7°
H5	C3	C4	H6	43.6°	173.8°
H5	C3	C4	H7	161.8°	66.1°
H8	C6	C7	H10	67.2°	64.6°
H8	C6	C7	H11	55.1°	175.7°
H9	C6	C7	H10	173.1°	55.7°
H9	C6	C7	H11	64.6°	64.0°
H10	C7	C8	H12	160.0°	40.6°
H11	C7	C8	H12	37.7°	160.4°
H15	C11	C12	H17	48.4°	53.1°
H15	C11	C12	H18	168.1°	67.9°
H16	C11	C12	H17	70.6°	172.6°
H16	C11	C12	H18	49.1°	51.7°
H17	C12	C13	H19	66.1°	172.6°
H18	C12	C13	H19	174.3°	66.5°
H19	C13	C17	H22	47.2°	165.2°
H19	C13	C17	H23	171.1°	42.1°
H24	C18	H25	H26	120.0°	120.0°
H27	C	H28	H29	120.0°	119.9°

Release date:	2024-04-10
Definition date:	2023-03-31
Last modified:	2024-04-05
Release status:	REL
Processing site:	PDBE
Derived from:	8OLM