A1H28

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O29	C26	doub	1.21Å	1.25Å
CL1	C23	sing	1.74Å	1.80Å
C26	C24	sing	1.48Å	1.50Å
C26	O28	sing	1.35Å	1.25Å
C23	C24	doub	1.40Å	1.39Å	Aromatic
C23	C22	sing	1.38Å	1.39Å	Aromatic
C24	C25	sing	1.40Å	1.39Å	Aromatic
C22	C21	doub	1.38Å	1.39Å	Aromatic
C25	C20	doub	1.39Å	1.39Å	Aromatic
C21	C20	sing	1.39Å	1.39Å	Aromatic
C20	S19	sing	1.76Å	1.69Å
N8	C9	doub	1.30Å	1.35Å	Aromatic
N8	C6	sing	1.35Å	1.36Å	Aromatic
C9	N10	sing	1.36Å	1.34Å	Aromatic
S19	C18	sing	1.81Å	1.76Å
N5	C4	sing	1.38Å	1.36Å
C6	C4	doub	1.40Å	1.40Å	Aromatic
C6	C7	sing	1.41Å	1.39Å	Aromatic
C12	O13	sing	1.43Å	1.44Å
C12	C14	sing	1.54Å	1.53Å
C12	C11	sing	1.54Å	1.52Å
C4	N3	sing	1.33Å	1.35Å	Aromatic
N10	C7	sing	1.37Å	1.34Å	Aromatic
N10	C11	sing	1.46Å	1.48Å
C14	C17	sing	1.54Å	1.52Å
C14	O15	sing	1.43Å	1.43Å
C7	N1	doub	1.33Å	1.35Å	Aromatic
C18	C17	sing	1.53Å	1.52Å
C11	O16	sing	1.44Å	1.43Å
O16	C17	sing	1.44Å	1.43Å
N3	C2	doub	1.32Å	1.34Å	Aromatic
N1	C2	sing	1.32Å	1.35Å	Aromatic
C11	H1	sing	1.09Å	1.10Å
C12	H2	sing	1.09Å	1.10Å
C14	H3	sing	1.09Å	1.10Å
C17	H4	sing	1.09Å	1.10Å
C18	H5	sing	1.09Å	1.10Å
C18	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.08Å	1.08Å
C21	H8	sing	1.08Å	1.08Å
C22	H9	sing	1.08Å	1.08Å
C25	H10	sing	1.08Å	1.08Å
C9	H11	sing	1.08Å	1.08Å
N5	H12	sing	0.97Å	1.00Å
N5	H13	sing	0.97Å	1.00Å
O13	H14	sing	0.97Å	0.95Å
O15	H15	sing	0.97Å	0.95Å
O28	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O29	C26	C24	119.2°	120.0°
O29	C26	O28	122.5°	120.0°
CL1	C23	C24	121.5°	120.0°
CL1	C23	C22	118.3°	120.1°
C24	C26	O28	118.4°	120.0°
C26	C24	C23	121.5°	120.1°
C26	C24	C25	118.5°	120.1°
C26	O28	H16	109.5°	117.0°
C24	C23	C22	120.2°	119.9°
C23	C24	C25	120.0°	119.7°
C23	C22	C21	119.7°	120.3°
C23	C22	H9	120.1°	119.8°
C24	C25	C20	119.5°	119.8°
C24	C25	H10	120.2°	120.1°
C22	C21	C20	120.0°	120.2°
C22	C21	H8	120.0°	119.9°
C21	C22	H9	120.1°	119.9°
C25	C20	C21	120.5°	120.1°
C25	C20	S19	119.9°	120.0°
C20	C25	H10	120.2°	120.1°
C21	C20	S19	119.6°	120.0°
C20	C21	H8	120.0°	119.9°
C20	S19	C18	108.0°	103.0°
C9	N8	C6	108.4°	109.5°
N8	C9	N10	108.7°	110.0°
N8	C9	H11	125.7°	125.0°
N8	C6	C4	134.1°	134.7°
N8	C6	C7	106.4°	107.1°
C9	N10	C7	108.4°	107.4°
C9	N10	C11	127.4°	126.3°
N10	C9	H11	125.7°	125.0°
S19	C18	C17	107.5°	109.4°
S19	C18	H5	110.0°	109.5°
S19	C18	H6	110.0°	109.5°
N5	C4	C6	122.2°	120.8°
N5	C4	N3	119.3°	120.8°
C4	N5	H12	109.5°	120.0°
C4	N5	H13	109.5°	120.0°
C4	C6	C7	119.4°	118.2°
C6	C4	N3	118.4°	118.4°
C6	C7	N10	108.1°	106.0°
C6	C7	N1	120.0°	119.1°
O13	C12	C14	113.8°	110.5°
O13	C12	C11	111.9°	110.5°
O13	C12	H2	110.1°	110.5°
C12	O13	H14	109.5°	114.0°
C14	C12	C11	102.9°	104.1°
C12	C14	C17	105.0°	104.1°
C12	C14	O15	112.4°	110.6°
C14	C12	H2	108.9°	110.7°
C12	C14	H3	109.8°	110.5°
C12	C11	N10	113.0°	110.5°
C12	C11	O16	104.4°	104.8°
C12	C11	H1	108.7°	110.4°
C11	C12	H2	109.0°	110.5°
C4	N3	C2	120.5°	121.2°
C7	N10	C11	124.1°	126.3°
N10	C7	N1	131.9°	134.9°
N10	C11	O16	111.6°	110.4°
N10	C11	H1	109.1°	110.3°
C17	C14	O15	108.5°	110.5°
C14	C17	C18	113.1°	110.4°
C14	C17	O16	106.6°	104.8°
C17	C14	H3	109.8°	110.5°
C14	C17	H4	108.8°	110.3°
O15	C14	H3	111.1°	110.5°
C14	O15	H15	109.5°	114.0°
C7	N1	C2	119.0°	120.6°
C18	C17	O16	109.6°	110.5°
C18	C17	H4	108.8°	110.3°
C17	C18	H5	110.0°	109.5°
C17	C18	H6	110.0°	109.4°
C11	O16	C17	107.4°	105.3°
O16	C11	H1	109.9°	110.3°
O16	C17	H4	110.0°	110.4°
N3	C2	N1	122.6°	122.5°
N3	C2	H7	118.7°	118.8°
N1	C2	H7	118.7°	118.7°
H5	C18	H6	109.4°	109.5°
H12	N5	H13	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O29	C26	C24	O28	179.1°	180.0°
O29	C26	C24	C23	66.9°	0.0°
O29	C26	C24	C25	113.5°	179.8°
O29	C26	O28	H16	0.0°	0.1°
CL1	C23	C24	C26	0.1°	0.2°
CL1	C23	C24	C22	180.0°	179.8°
CL1	C23	C24	C25	179.7°	180.0°
CL1	C23	C22	C21	179.9°	179.7°
CL1	C23	C22	H9	0.0°	0.2°
C26	C24	C23	C25	179.6°	179.8°
C26	C24	C23	C22	179.9°	180.0°
C26	C24	C25	C20	179.7°	179.7°
C26	C24	C25	H10	0.3°	0.2°
C24	C26	O28	H16	179.1°	180.0°
O28	C26	C24	C23	113.9°	180.0°
O28	C26	C24	C25	65.7°	0.2°
C24	C23	C22	C21	0.0°	0.0°
C23	C24	C25	C20	0.7°	0.5°
C24	C23	C22	H9	180.0°	180.0°
C23	C24	C25	H10	179.3°	180.0°
C22	C23	C24	C25	0.3°	0.2°
C23	C22	C21	H9	180.0°	179.9°
C23	C22	C21	C20	0.0°	0.0°
C23	C22	C21	H8	180.0°	179.9°
C24	C25	C20	H10	180.0°	179.5°
C24	C25	C20	C21	0.7°	0.5°
C24	C25	C20	S19	180.0°	179.7°
C22	C21	C20	C25	0.3°	0.3°
C22	C21	C20	H8	180.0°	180.0°
C22	C21	C20	S19	179.6°	180.0°
C25	C20	C21	S19	179.3°	179.8°
C25	C20	S19	C18	94.8°	179.8°
C25	C20	C21	H8	179.7°	179.8°
C21	C20	S19	C18	84.5°	0.0°
C20	C21	C22	H9	180.0°	180.0°
C21	C20	C25	H10	179.3°	180.0°
C20	S19	C18	C17	115.4°	180.0°
C20	S19	C18	H5	4.3°	60.0°
C20	S19	C18	H6	124.9°	60.0°
S19	C20	C21	H8	0.4°	0.0°
S19	C20	C25	H10	0.0°	0.2°
N8	C9	N10	H11	180.0°	179.8°
C9	N8	C6	C4	179.3°	179.9°
C9	N8	C6	C7	0.1°	0.3°
N8	C9	N10	C7	0.0°	0.2°
N8	C9	N10	C11	179.8°	180.0°
C6	N8	C9	N10	0.0°	0.3°
N8	C6	C4	N5	0.6°	0.0°
N8	C6	C4	C7	179.2°	179.8°
N8	C6	C4	N3	180.0°	180.0°
N8	C6	C7	N10	0.1°	0.1°
N8	C6	C7	N1	179.4°	180.0°
C6	N8	C9	H11	180.0°	179.9°
C9	N10	C7	C6	0.0°	0.0°
C9	N10	C11	C12	57.6°	91.9°
C9	N10	C7	C11	179.8°	179.8°
C9	N10	C7	N1	179.3°	179.8°
C9	N10	C11	O16	59.7°	23.6°
C9	N10	C11	H1	178.7°	145.8°
S19	C18	C17	C14	61.0°	175.0°
S19	C18	C17	H5	119.7°	120.0°
S19	C18	C17	H6	119.7°	120.0°
S19	C18	C17	O16	57.7°	69.5°
S19	C18	C17	H4	178.0°	52.8°
S19	C18	H5	H6	120.9°	120.1°
N5	C4	C6	N3	179.4°	180.0°
N5	C4	C6	C7	179.9°	179.8°
N5	C4	N3	C2	179.4°	180.0°
C4	N5	H12	H13	120.0°	179.9°
C4	C6	C7	N10	179.5°	180.0°
C4	C6	C7	N1	1.1°	0.1°
C6	C4	N3	C2	0.1°	0.1°
C6	C4	N5	H12	179.4°	180.0°
C6	C4	N5	H13	59.3°	0.1°
C7	C6	C4	N3	0.8°	0.2°
C6	C7	N10	N1	179.3°	179.8°
C6	C7	N10	C11	179.8°	179.8°
C6	C7	N1	C2	0.8°	0.1°
O13	C12	C14	C11	121.2°	118.6°
O13	C12	C14	H2	123.2°	122.7°
O13	C12	C11	H2	122.0°	122.6°
O13	C12	C11	N10	82.3°	98.5°
O13	C12	C14	C17	139.3°	118.6°
O13	C12	C14	O15	21.6°	0.1°
O13	C12	C11	O16	156.3°	142.6°
O13	C12	C11	H1	39.0°	23.8°
O13	C12	C14	H3	102.7°	122.7°
C14	C12	C11	H2	115.5°	118.8°
C14	C12	C11	N10	155.2°	142.9°
C12	C14	C17	O15	120.4°	118.7°
C12	C14	C17	H3	118.0°	118.6°
C12	C14	O15	H3	123.5°	122.7°
C12	C14	C17	C18	123.9°	142.9°
C14	C12	C11	O16	33.8°	24.0°
C12	C14	C17	O16	3.5°	24.0°
C14	C12	C11	H1	83.5°	94.8°
C12	C14	C17	H4	115.1°	94.9°
C14	C12	O13	H14	180.0°	61.5°
C12	C14	O15	H15	180.0°	61.4°
C12	C11	N10	C7	122.6°	88.4°
C12	C11	N10	O16	117.3°	115.4°
C12	C11	N10	H1	121.1°	122.4°
C11	C12	C14	C17	18.1°	0.0°
C11	C12	C14	O15	99.6°	118.7°
C12	C11	O16	H1	116.4°	118.8°
C12	C11	O16	C17	37.6°	40.5°
C11	C12	C14	H3	136.1°	118.7°
C11	C12	O13	H14	64.0°	176.2°
C4	N3	C2	N1	0.3°	0.4°
C4	N3	C2	H7	179.6°	180.0°
N3	C4	N5	H12	0.0°	0.0°
N3	C4	N5	H13	120.0°	180.0°
C7	N10	C11	O16	120.1°	156.2°
N10	C7	N1	C2	180.0°	179.7°
C7	N10	C11	H1	1.6°	34.0°
C7	N10	C9	H11	180.0°	180.0°
C11	N10	C7	N1	0.5°	0.0°
N10	C11	O16	H1	121.2°	122.2°
N10	C11	O16	C17	160.0°	159.5°
N10	C11	C12	H2	39.8°	24.1°
C11	N10	C9	H11	0.2°	0.2°
C17	C14	O15	H3	120.8°	122.6°
C14	C17	C18	O16	118.8°	115.5°
C14	C17	C18	H4	121.0°	122.2°
C14	C17	O16	C11	25.7°	40.5°
C14	C17	O16	H4	117.8°	118.8°
C17	C14	C12	H2	97.4°	118.7°
C14	C17	C18	H5	58.7°	55.0°
C14	C17	C18	H6	179.3°	65.0°
C17	C14	O15	H15	64.3°	176.1°
O15	C14	C17	C18	115.7°	98.4°
O15	C14	C17	O16	123.9°	142.7°
O15	C14	C12	H2	144.8°	122.6°
O15	C14	C17	H4	5.3°	23.8°
C7	N1	C2	N3	0.0°	0.4°
C7	N1	C2	H7	180.0°	180.0°
C18	C17	O16	C11	148.4°	159.4°
C18	C17	O16	H4	119.5°	122.3°
C18	C17	C14	H3	6.0°	24.3°
C17	C18	H5	H6	120.9°	120.0°
O16	C11	C12	H2	81.7°	94.8°
C11	O16	C17	H4	92.1°	78.3°
C17	O16	C11	H1	78.8°	78.3°
O16	C17	C14	H3	114.5°	94.7°
O16	C17	C18	H5	177.5°	170.5°
O16	C17	C18	H6	62.0°	50.4°
N3	C2	N1	H7	180.0°	179.6°
H1	C11	C12	H2	161.1°	146.4°
H2	C12	C14	H3	20.6°	0.1°
H2	C12	O13	H14	57.4°	61.2°
H3	C14	C17	H4	126.9°	146.4°
H3	C14	O15	H15	56.5°	61.3°
H4	C17	C18	H5	62.3°	67.2°
H4	C17	C18	H6	58.3°	172.8°
H8	C21	C22	H9	0.0°	0.0°

Release date:	2024-02-14
Definition date:	2024-02-01
Last modified:	2024-02-09
Release status:	REL
Processing site:	PDBE
Derived from:	8RV8