A1H8V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	P1	doub	1.48Å	1.62Å
C14	C15	sing	1.53Å	1.53Å
C14	C13	sing	1.54Å	1.53Å
O5	P1	sing	1.61Å	1.47Å
O4	P1	sing	1.61Å	1.50Å
P1	C7	sing	1.82Å	1.86Å
C15	C10	sing	1.52Å	1.54Å
C13	C12	sing	1.53Å	1.53Å
C12	C11	sing	1.52Å	1.53Å
C10	C11	sing	1.39Å	1.47Å	Aromatic
C10	C9	doub	1.37Å	1.57Å	Aromatic
C7	N1	sing	1.47Å	1.42Å
C7	C6	sing	1.51Å	1.53Å
C11	C16	doub	1.34Å	1.58Å	Aromatic
N1	C8	sing	1.35Å	1.43Å
O1	C1	sing	1.36Å	1.40Å
C8	O2	doub	1.22Å	1.16Å
C8	C9	sing	1.47Å	1.51Å
C9	S1	sing	1.76Å	1.71Å	Aromatic
C6	C1	doub	1.39Å	1.33Å	Aromatic
C6	C5	sing	1.38Å	1.53Å	Aromatic
C1	C2	sing	1.39Å	1.53Å	Aromatic
C16	S1	sing	1.70Å	1.72Å	Aromatic
C5	C4	doub	1.38Å	1.33Å	Aromatic
C2	C3	doub	1.38Å	1.32Å	Aromatic
C4	C3	sing	1.38Å	1.53Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
C15	H7	sing	1.09Å	1.10Å
C15	H8	sing	1.09Å	1.10Å
C12	H9	sing	1.09Å	1.10Å
C12	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.09Å	1.10Å
C14	H12	sing	1.09Å	1.10Å
C16	H13	sing	1.08Å	1.08Å
C2	H14	sing	1.08Å	1.08Å
C3	H15	sing	1.08Å	1.08Å
O1	H16	sing	0.97Å	0.95Å
O4	H17	sing	0.97Å	0.95Å
O5	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	P1	O5	112.3°	109.4°
O3	P1	O4	106.6°	109.5°
O3	P1	C7	104.7°	109.5°
C15	C14	C13	115.6°	109.0°
C14	C15	C10	111.7°	108.6°
C14	C15	H7	108.9°	109.6°
C14	C15	H8	108.9°	109.7°
C15	C14	H11	107.9°	109.5°
C15	C14	H12	107.9°	109.5°
C14	C13	C12	114.6°	109.1°
C14	C13	H5	108.2°	109.4°
C14	C13	H6	108.2°	109.8°
C13	C14	H11	107.9°	109.8°
C13	C14	H12	107.9°	109.4°
O5	P1	O4	111.1°	109.5°
O5	P1	C7	111.9°	109.5°
P1	O5	H18	109.5°	114.0°
O4	P1	C7	109.9°	109.5°
P1	O4	H17	109.5°	114.0°
P1	C7	N1	106.7°	109.5°
P1	C7	C6	112.7°	109.4°
P1	C7	H4	106.7°	109.5°
C15	C10	C11	121.8°	123.5°
C15	C10	C9	130.1°	123.5°
C10	C15	H7	108.9°	109.7°
C10	C15	H8	108.9°	109.7°
C13	C12	C11	111.2°	108.7°
C12	C13	H5	108.2°	109.5°
C12	C13	H6	108.2°	109.5°
C13	C12	H9	109.0°	109.6°
C13	C12	H10	109.0°	109.6°
C12	C11	C10	123.6°	122.9°
C12	C11	C16	124.7°	123.0°
C11	C12	H9	109.0°	109.4°
C11	C12	H10	109.0°	109.8°
C11	C10	C9	108.1°	113.0°
C10	C11	C16	111.7°	114.2°
C10	C9	C8	123.8°	125.2°
C10	C9	S1	113.8°	109.6°
N1	C7	C6	108.4°	109.5°
C7	N1	C8	126.4°	120.0°
C7	N1	H1	116.8°	120.0°
N1	C7	H4	112.0°	109.5°
C7	C6	C1	121.8°	120.0°
C7	C6	C5	118.0°	120.0°
C6	C7	H4	110.4°	109.4°
C11	C16	S1	111.2°	111.8°
C11	C16	H13	124.4°	124.1°
N1	C8	O2	123.0°	120.0°
N1	C8	C9	116.2°	120.0°
C8	N1	H1	116.8°	120.0°
O1	C1	C6	121.5°	120.1°
O1	C1	C2	117.7°	120.0°
C1	O1	H16	109.5°	114.0°
O2	C8	C9	120.7°	120.0°
C8	C9	S1	122.4°	125.2°
C9	S1	C16	95.2°	91.5°
C1	C6	C5	120.2°	120.0°
C6	C1	C2	120.8°	119.9°
C6	C5	C4	119.2°	120.0°
C6	C5	H3	120.4°	119.9°
C1	C2	C3	118.5°	119.9°
C1	C2	H14	120.8°	120.0°
S1	C16	H13	124.3°	124.1°
C5	C4	C3	119.8°	120.1°
C5	C4	H2	120.1°	119.9°
C4	C5	H3	120.4°	120.0°
C2	C3	C4	121.4°	120.1°
C3	C2	H14	120.8°	120.0°
C2	C3	H15	119.3°	119.9°
C3	C4	H2	120.1°	120.0°
C4	C3	H15	119.3°	120.0°
H5	C13	H6	109.5°	109.5°
H7	C15	H8	109.5°	109.6°
H9	C12	H10	109.4°	109.7°
H11	C14	H12	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	P1	O5	O4	119.3°	120.0°
O3	P1	O5	C7	117.4°	120.0°
O3	P1	O4	C7	112.9°	120.0°
O3	P1	C7	N1	68.5°	65.0°
O3	P1	C7	C6	172.6°	55.0°
O3	P1	C7	H4	51.3°	175.0°
O3	P1	O4	H17	0.0°	60.0°
O3	P1	O5	H18	0.0°	60.0°
C15	C14	C13	H11	120.9°	119.9°
C15	C14	C13	H12	120.9°	119.7°
C14	C15	C10	H7	120.4°	119.7°
C14	C15	C10	H8	120.3°	119.9°
C15	C14	C13	C12	56.7°	72.4°
C14	C15	C10	C11	11.3°	16.8°
C14	C15	C10	C9	167.7°	162.9°
C15	C14	C13	H5	177.4°	167.8°
C15	C14	C13	H6	64.1°	47.5°
C14	C15	H7	H8	119.0°	120.4°
C15	C14	H11	H12	117.2°	120.2°
C13	C14	C15	C10	39.3°	51.2°
C14	C13	C12	H5	120.7°	119.7°
C14	C13	C12	H6	120.8°	120.2°
C14	C13	C12	C11	40.3°	51.7°
C14	C13	H5	H6	117.7°	120.4°
C13	C14	C15	H7	81.0°	68.6°
C13	C14	C15	H8	159.7°	171.0°
C14	C13	C12	H9	80.0°	171.2°
C14	C13	C12	H10	160.6°	68.3°
C13	C14	H11	H12	117.2°	120.2°
O5	P1	O4	C7	124.5°	120.0°
O5	P1	C7	N1	53.3°	175.0°
O5	P1	C7	C6	65.6°	65.0°
O5	P1	C7	H4	173.1°	55.0°
O5	P1	O4	H17	122.6°	180.0°
O4	P1	C7	N1	177.4°	55.0°
O4	P1	C7	C6	58.5°	175.0°
O4	P1	C7	H4	62.8°	65.0°
O4	P1	O5	H18	119.2°	180.0°
P1	C7	N1	C6	121.6°	120.0°
P1	C7	N1	H4	116.4°	120.0°
P1	C7	C6	H4	119.2°	120.0°
P1	C7	N1	C8	107.6°	105.0°
P1	C7	C6	C1	76.0°	95.0°
P1	C7	C6	C5	103.4°	85.0°
P1	C7	N1	H1	72.4°	74.7°
C7	P1	O4	H17	112.9°	60.0°
C7	P1	O5	H18	117.4°	60.0°
C15	C10	C11	C12	1.5°	0.3°
C15	C10	C11	C9	179.2°	179.8°
C15	C10	C11	C16	179.7°	179.7°
C15	C10	C9	C8	1.3°	0.3°
C15	C10	C9	S1	179.9°	179.7°
C10	C15	H7	H8	119.0°	120.4°
C10	C15	C14	H11	81.5°	68.9°
C10	C15	C14	H12	160.2°	170.8°
C13	C12	C11	H9	120.3°	119.6°
C13	C12	C11	H10	120.3°	119.9°
C13	C12	C11	C10	12.9°	17.2°
C13	C12	C11	C16	165.1°	162.7°
C12	C13	H5	H6	117.7°	120.1°
C13	C12	H9	H10	119.2°	120.4°
C12	C13	C14	H11	64.2°	47.5°
C12	C13	C14	H12	177.6°	167.8°
C12	C11	C10	C16	178.2°	180.0°
C12	C11	C10	C9	179.3°	179.9°
C12	C11	C16	S1	179.1°	179.9°
C11	C12	C13	H5	161.1°	171.4°
C11	C12	C13	H6	80.4°	68.5°
C11	C12	H9	H10	119.2°	120.5°
C12	C11	C16	H13	0.9°	0.0°
C11	C10	C9	C8	179.6°	180.0°
C11	C10	C9	S1	1.0°	0.0°
C10	C11	C16	S1	0.9°	0.1°
C11	C10	C15	H7	109.1°	102.9°
C11	C10	C15	H8	131.6°	136.7°
C10	C11	C12	H9	107.4°	136.8°
C10	C11	C12	H10	133.2°	102.7°
C10	C11	C16	H13	179.0°	180.0°
C9	C10	C11	C16	1.1°	0.1°
C10	C9	C8	N1	42.1°	180.0°
C10	C9	C8	O2	139.6°	0.0°
C10	C9	C8	S1	178.5°	180.0°
C10	C9	S1	C16	0.4°	0.0°
C9	C10	C15	H7	72.0°	77.3°
C9	C10	C15	H8	47.4°	43.1°
N1	C7	C6	H4	123.0°	120.0°
C7	N1	C8	H1	180.0°	179.7°
C7	N1	C8	O2	1.4°	0.3°
C7	N1	C8	C9	179.6°	179.7°
N1	C7	C6	C1	41.8°	145.0°
N1	C7	C6	C5	138.8°	35.0°
C6	C7	N1	C8	130.8°	135.0°
C7	C6	C1	O1	0.4°	0.1°
C7	C6	C1	C5	179.4°	179.9°
C7	C6	C1	C2	179.7°	180.0°
C7	C6	C5	C4	178.6°	180.0°
C6	C7	N1	H1	49.2°	45.3°
C7	C6	C5	H3	1.4°	0.1°
C11	C16	S1	C9	0.3°	0.0°
C11	C16	S1	H13	180.0°	180.0°
C16	C11	C12	H9	74.7°	43.1°
C16	C11	C12	H10	44.8°	77.4°
N1	C8	O2	C9	178.2°	180.0°
N1	C8	C9	S1	136.4°	0.0°
C8	N1	C7	H4	8.7°	15.0°
O1	C1	C6	C2	180.0°	179.9°
O1	C1	C6	C5	179.0°	179.9°
O1	C1	C2	C3	178.6°	179.9°
O1	C1	C2	H14	1.4°	0.1°
O2	C8	C9	S1	41.9°	180.0°
O2	C8	N1	H1	178.6°	180.0°
C8	C9	S1	C16	179.0°	180.0°
C9	C8	N1	H1	0.4°	0.0°
C9	S1	C16	H13	179.7°	180.0°
C1	C6	C5	C4	0.8°	0.0°
C6	C1	C2	C3	1.4°	0.1°
C1	C6	C5	H3	179.2°	180.0°
C1	C6	C7	H4	164.8°	25.0°
C6	C1	C2	H14	178.6°	180.0°
C6	C1	O1	H16	180.0°	90.1°
C5	C6	C1	C2	0.9°	0.1°
C6	C5	C4	H3	180.0°	180.0°
C6	C5	C4	C3	1.9°	0.0°
C6	C5	C4	H2	178.1°	179.7°
C5	C6	C7	H4	15.8°	155.0°
C1	C2	C3	H14	180.0°	180.0°
C1	C2	C3	C4	0.2°	0.0°
C1	C2	C3	H15	179.8°	179.7°
C2	C1	O1	H16	0.0°	90.1°
C5	C4	C3	C2	1.5°	0.0°
C5	C4	C3	H2	180.0°	179.7°
C5	C4	C3	H15	178.5°	179.7°
C2	C3	C4	H15	180.0°	179.7°
C2	C3	C4	H2	178.5°	179.7°
C3	C4	C5	H3	178.1°	180.0°
C4	C3	C2	H14	179.8°	180.0°
H1	N1	C7	H4	171.3°	165.3°
H2	C4	C5	H3	2.0°	0.3°
H2	C4	C3	H15	1.5°	0.0°
H5	C13	C12	H9	40.8°	69.1°
H5	C13	C12	H10	78.6°	51.4°
H5	C13	C14	H11	56.6°	72.3°
H5	C13	C14	H12	61.6°	48.1°
H6	C13	C12	H9	159.3°	51.0°
H6	C13	C12	H10	39.9°	171.5°
H6	C13	C14	H11	175.1°	167.4°
H6	C13	C14	H12	56.8°	72.2°
H7	C15	C14	H11	158.1°	171.3°
H7	C15	C14	H12	39.9°	51.1°
H8	C15	C14	H11	38.8°	50.9°
H8	C15	C14	H12	79.5°	69.3°
H14	C2	C3	H15	0.2°	0.3°

Release date:	2025-04-30
Definition date:	2024-04-20
Last modified:	2025-04-25
Release status:	REL
Processing site:	PDBE
Derived from:	9F0R