V1H

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	O02	sing	1.43Å	1.40Å
C03	O02	sing	1.43Å	1.40Å
C03	C16	sing	1.54Å	1.48Å
C03	C04	sing	1.54Å	1.48Å
C16	N05	sing	1.48Å	1.50Å
C04	N05	sing	1.48Å	1.49Å
N05	S06	sing	1.66Å	1.70Å
O07	S06	doub	1.42Å	1.47Å
S06	O15	doub	1.42Å	1.47Å
S06	C08	sing	1.76Å	1.81Å
C08	C09	doub	1.38Å	1.38Å	Aromatic
C08	C13	sing	1.38Å	1.39Å	Aromatic
C09	C10	sing	1.38Å	1.38Å	Aromatic
C13	C12	doub	1.38Å	1.39Å	Aromatic
C10	C11	doub	1.38Å	1.38Å	Aromatic
C12	C11	sing	1.38Å	1.39Å	Aromatic
C11	C14	sing	1.51Å	1.52Å
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C03	H4	sing	1.09Å	1.10Å
C04	H5	sing	1.09Å	1.10Å
C04	H6	sing	1.09Å	1.10Å
C09	H7	sing	1.08Å	1.08Å
C10	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C13	H10	sing	1.08Å	1.08Å
C14	H11	sing	1.09Å	1.10Å
C14	H12	sing	1.09Å	1.10Å
C14	H13	sing	1.09Å	1.10Å
C16	H14	sing	1.09Å	1.10Å
C16	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	O02	C03	112.6°	114.0°
O02	C01	H1	109.5°	109.5°
O02	C01	H2	109.5°	109.4°
O02	C01	H3	109.5°	109.5°
O02	C03	C16	113.0°	113.7°
O02	C03	C04	111.9°	113.7°
O02	C03	H4	114.3°	113.0°
C16	C03	C04	89.6°	86.3°
C03	C16	N05	89.3°	86.1°
C16	C03	H4	112.9°	113.8°
C03	C16	H14	114.2°	113.8°
C03	C16	H15	114.3°	113.8°
C03	C04	N05	89.4°	86.1°
C04	C03	H4	112.8°	113.8°
C03	C04	H5	114.2°	113.8°
C03	C04	H6	114.2°	113.8°
C16	N05	C04	88.9°	91.0°
C16	N05	S06	133.3°	134.5°
N05	C16	H14	114.2°	113.8°
N05	C16	H15	114.3°	113.8°
C04	N05	S06	132.7°	134.5°
N05	C04	H5	114.2°	113.8°
N05	C04	H6	114.2°	113.8°
N05	S06	O07	111.9°	106.4°
N05	S06	O15	111.1°	106.4°
N05	S06	C08	105.3°	107.2°
O07	S06	O15	103.9°	123.2°
O07	S06	C08	112.2°	106.4°
O15	S06	C08	112.5°	106.4°
S06	C08	C09	118.7°	120.0°
S06	C08	C13	120.6°	120.0°
C09	C08	C13	120.7°	120.0°
C08	C09	C10	119.5°	120.0°
C08	C09	H7	120.3°	120.0°
C08	C13	C12	119.6°	120.0°
C08	C13	H10	120.2°	120.0°
C09	C10	C11	120.2°	120.0°
C10	C09	H7	120.3°	120.0°
C09	C10	H8	119.9°	120.0°
C13	C12	C11	119.5°	120.0°
C13	C12	H9	120.3°	120.0°
C12	C13	H10	120.2°	120.0°
C10	C11	C12	120.5°	120.0°
C10	C11	C14	118.7°	120.0°
C11	C10	H8	119.9°	120.0°
C12	C11	C14	120.8°	120.0°
C11	C12	H9	120.3°	120.0°
C11	C14	H11	109.5°	109.5°
C11	C14	H12	109.5°	109.5°
C11	C14	H13	109.5°	109.5°
H1	C01	H2	109.4°	109.5°
H1	C01	H3	109.5°	109.5°
H2	C01	H3	109.5°	109.5°
H5	C04	H6	109.5°	113.0°
H11	C14	H12	109.5°	109.5°
H11	C14	H13	109.4°	109.5°
H12	C14	H13	109.5°	109.4°
H14	C16	H15	109.5°	113.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	O02	C03	C16	178.9°	150.0°
C01	O02	C03	C04	79.6°	113.4°
O02	C01	H1	H2	120.0°	120.0°
O02	C01	H1	H3	120.0°	120.0°
O02	C01	H2	H3	120.0°	120.0°
C01	O02	C03	H4	50.2°	18.4°
O02	C03	C16	C04	113.7°	114.3°
O02	C03	C16	H4	131.7°	131.3°
O02	C03	C04	H4	130.6°	131.3°
O02	C03	C16	N05	126.5°	137.9°
O02	C03	C04	N05	127.6°	138.0°
C03	O02	C01	H1	180.0°	59.9°
C03	O02	C01	H2	60.0°	60.1°
C03	O02	C01	H3	60.0°	180.0°
O02	C03	C04	H5	11.1°	23.7°
O02	C03	C04	H6	116.0°	107.8°
O02	C03	C16	H14	117.1°	107.8°
O02	C03	C16	H15	10.1°	23.5°
C16	C03	C04	H4	114.7°	114.4°
C03	C16	N05	H14	116.4°	114.3°
C03	C16	N05	H15	116.4°	114.3°
C16	C03	C04	N05	12.9°	23.6°
C03	C16	N05	S06	168.8°	155.3°
C16	C03	C04	H5	103.6°	90.7°
C16	C03	C04	H6	129.3°	137.9°
C03	C16	H14	H15	129.6°	131.7°
C03	C04	N05	H5	116.4°	114.4°
C03	C04	N05	H6	116.4°	114.3°
C03	C04	N05	S06	169.0°	155.4°
C03	C04	H5	H6	129.5°	131.8°
C04	C03	C16	H14	129.2°	137.9°
C04	C03	C16	H15	103.6°	90.7°
C16	N05	C04	S06	156.3°	180.0°
C16	N05	S06	O07	57.8°	156.5°
C16	N05	S06	O15	173.5°	23.5°
C16	N05	S06	C08	64.4°	90.0°
N05	C16	C03	H4	101.8°	90.8°
C16	N05	C04	H5	103.6°	89.7°
C16	N05	C04	H6	129.2°	138.9°
N05	C16	H14	H15	129.6°	131.8°
C04	N05	S06	O07	155.7°	23.5°
C04	N05	S06	O15	40.1°	156.5°
C04	N05	S06	C08	82.0°	90.0°
N05	C04	C03	H4	101.8°	90.8°
N05	C04	H5	H6	129.5°	131.7°
C04	N05	C16	H14	129.2°	139.0°
C04	N05	C16	H15	103.6°	89.7°
N05	S06	O07	O15	120.0°	122.9°
N05	S06	O07	C08	118.2°	114.1°
N05	S06	O15	C08	117.8°	114.1°
N05	S06	C08	C09	86.4°	90.0°
N05	S06	C08	C13	92.1°	90.3°
S06	N05	C04	H5	52.6°	90.3°
S06	N05	C04	H6	74.5°	41.1°
S06	N05	C16	H14	74.8°	41.0°
S06	N05	C16	H15	52.4°	90.3°
O07	S06	O15	C08	121.6°	123.0°
O07	S06	C08	C09	35.6°	156.5°
O07	S06	C08	C13	145.8°	23.2°
O15	S06	C08	C09	152.4°	23.5°
O15	S06	C08	C13	29.1°	156.2°
S06	C08	C09	C13	178.6°	179.7°
S06	C08	C09	C10	179.4°	179.7°
S06	C08	C13	C12	179.3°	179.7°
S06	C08	C09	H7	0.7°	0.3°
S06	C08	C13	H10	0.7°	0.3°
C08	C09	C10	H7	180.0°	180.0°
C09	C08	C13	C12	0.8°	0.0°
C08	C09	C10	C11	0.3°	0.0°
C08	C09	C10	H8	179.7°	180.0°
C09	C08	C13	H10	179.2°	180.0°
C13	C08	C09	C10	0.8°	0.0°
C08	C13	C12	H10	180.0°	180.0°
C08	C13	C12	C11	0.3°	0.0°
C13	C08	C09	H7	179.2°	180.0°
C08	C13	C12	H9	179.6°	180.0°
C09	C10	C11	H8	180.0°	180.0°
C09	C10	C11	C12	0.1°	0.0°
C09	C10	C11	C14	180.0°	180.0°
C13	C12	C11	C10	0.1°	0.0°
C13	C12	C11	H9	180.0°	180.0°
C13	C12	C11	C14	180.0°	180.0°
C10	C11	C12	C14	179.9°	180.0°
C11	C10	C09	H7	179.7°	180.0°
C10	C11	C12	H9	179.9°	180.0°
C10	C11	C14	H11	90.0°	90.0°
C10	C11	C14	H12	150.0°	150.0°
C10	C11	C14	H13	30.0°	30.0°
C12	C11	C10	H8	179.9°	180.0°
C11	C12	C13	H10	179.7°	180.0°
C12	C11	C14	H11	90.0°	90.0°
C12	C11	C14	H12	30.0°	30.0°
C12	C11	C14	H13	150.0°	150.0°
C14	C11	C10	H8	0.1°	0.0°
C14	C11	C12	H9	0.0°	0.0°
C11	C14	H11	H12	120.0°	120.0°
C11	C14	H11	H13	120.0°	120.0°
C11	C14	H12	H13	120.0°	120.0°
H1	C01	H2	H3	120.0°	120.0°
H4	C03	C04	H5	141.7°	154.9°
H4	C03	C04	H6	14.6°	23.5°
H4	C03	C16	H14	14.5°	23.5°
H4	C03	C16	H15	141.7°	154.8°
H7	C09	C10	H8	0.3°	0.1°
H9	C12	C13	H10	0.4°	0.0°
H11	C14	H12	H13	120.0°	119.9°

Release date:	2021-06-09
Definition date:	2021-04-06
Last modified:	2021-06-04
Release status:	REL
Processing site:	PDBE
Derived from:	7O3S