8N6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C24	C23	sing	1.53Å	1.53Å
C23	C20	sing	1.51Å	1.40Å
C20	C19	doub	1.38Å	1.40Å	Aromatic
C20	C21	sing	1.39Å	1.39Å	Aromatic
C19	N18	sing	1.32Å	1.42Å	Aromatic
C21	C22	doub	1.39Å	1.39Å	Aromatic
N18	C17	doub	1.32Å	1.35Å	Aromatic
C22	C17	sing	1.38Å	1.39Å	Aromatic
C17	C15	sing	1.51Å	1.41Å
C15	C14	sing	1.53Å	1.55Å
C14	O13	sing	1.43Å	1.44Å
O13	C10	sing	1.36Å	1.37Å
C10	C9	doub	1.39Å	1.39Å	Aromatic
C10	C11	sing	1.39Å	1.39Å	Aromatic
C9	C8	sing	1.38Å	1.39Å	Aromatic
C11	C12	doub	1.38Å	1.40Å	Aromatic
C8	C7	doub	1.38Å	1.39Å	Aromatic
S1	C2	sing	1.77Å	1.66Å
S1	C5	sing	1.82Å	1.81Å
C12	C7	sing	1.38Å	1.40Å	Aromatic
C7	C6	sing	1.51Å	1.41Å
O2	C2	doub	1.21Å	1.23Å
C2	N3	sing	1.33Å	1.34Å
C5	C6	sing	1.53Å	1.53Å
C5	C4	sing	1.51Å	1.41Å
N3	C4	sing	1.32Å	1.35Å
C4	O4	doub	1.21Å	1.23Å
N3	H1	sing	0.97Å	1.00Å
C5	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C21	H5	sing	1.08Å	1.08Å
C12	H6	sing	1.08Å	1.08Å
C11	H7	sing	1.08Å	1.08Å
C9	H8	sing	1.08Å	1.08Å
C8	H9	sing	1.08Å	1.08Å
C14	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.09Å	1.10Å
C15	H12	sing	1.09Å	1.10Å
C15	H13	sing	1.09Å	1.10Å
C24	H14	sing	1.09Å	1.10Å
C24	H15	sing	1.09Å	1.10Å
C24	H16	sing	1.09Å	1.10Å
C23	H17	sing	1.09Å	1.10Å
C23	H18	sing	1.09Å	1.10Å
C19	H19	sing	1.08Å	1.08Å
C22	H20	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C24	C23	C20	110.7°	109.5°
C23	C24	H14	109.5°	109.5°
C23	C24	H15	109.5°	109.5°
C23	C24	H16	109.5°	109.5°
C24	C23	H17	109.2°	109.5°
C24	C23	H18	109.2°	109.5°
C23	C20	C19	122.0°	120.4°
C23	C20	C21	119.2°	120.4°
C20	C23	H17	109.2°	109.5°
C20	C23	H18	109.2°	109.5°
C19	C20	C21	118.8°	119.2°
C20	C19	N18	119.9°	120.8°
C20	C19	H19	120.0°	119.6°
C20	C21	C22	119.9°	118.4°
C20	C21	H5	120.0°	120.8°
C19	N18	C17	120.6°	121.7°
N18	C19	H19	120.1°	119.6°
C21	C22	C17	121.1°	119.2°
C22	C21	H5	120.0°	120.8°
C21	C22	H20	119.4°	120.4°
N18	C17	C22	119.7°	120.8°
N18	C17	C15	121.8°	119.6°
C22	C17	C15	118.6°	119.6°
C17	C22	H20	119.5°	120.4°
C17	C15	C14	111.3°	109.5°
C17	C15	H12	109.0°	109.4°
C17	C15	H13	109.0°	109.5°
C15	C14	O13	110.2°	109.5°
C15	C14	H10	109.3°	109.4°
C15	C14	H11	109.3°	109.5°
C14	C15	H12	109.0°	109.4°
C14	C15	H13	109.0°	109.4°
C14	O13	C10	113.3°	117.0°
O13	C14	H10	109.3°	109.5°
O13	C14	H11	109.3°	109.5°
O13	C10	C9	118.6°	120.0°
O13	C10	C11	122.3°	120.1°
C9	C10	C11	119.2°	119.9°
C10	C9	C8	121.2°	120.0°
C10	C9	H8	119.4°	120.1°
C10	C11	C12	119.7°	120.0°
C10	C11	H7	120.2°	120.0°
C9	C8	C7	120.0°	120.0°
C8	C9	H8	119.4°	120.0°
C9	C8	H9	120.0°	119.9°
C11	C12	C7	120.9°	120.1°
C11	C12	H6	119.6°	120.0°
C12	C11	H7	120.2°	120.0°
C8	C7	C12	119.1°	120.1°
C8	C7	C6	119.9°	119.9°
C7	C8	H9	120.0°	120.1°
C2	S1	C5	94.4°	94.2°
S1	C2	O2	123.6°	126.1°
S1	C2	N3	112.1°	107.7°
S1	C5	C6	110.6°	110.7°
S1	C5	C4	102.2°	103.0°
S1	C5	H2	107.9°	110.8°
C12	C7	C6	121.0°	120.0°
C7	C12	H6	119.5°	119.9°
C7	C6	C5	110.9°	109.5°
C7	C6	H3	109.1°	109.5°
C7	C6	H4	109.1°	109.5°
O2	C2	N3	124.3°	126.2°
C2	N3	C4	113.5°	121.3°
C2	N3	H1	123.2°	119.3°
C6	C5	C4	111.2°	110.8°
C6	C5	H2	111.3°	110.6°
C5	C6	H3	109.1°	109.4°
C5	C6	H4	109.1°	109.5°
C5	C4	N3	117.7°	113.8°
C5	C4	O4	122.2°	123.1°
C4	C5	H2	113.2°	110.7°
N3	C4	O4	120.1°	123.1°
C4	N3	H1	123.2°	119.4°
H3	C6	H4	109.5°	109.5°
H10	C14	H11	109.5°	109.5°
H12	C15	H13	109.5°	109.5°
H14	C24	H15	109.5°	109.5°
H14	C24	H16	109.5°	109.5°
H15	C24	H16	109.5°	109.5°
H17	C23	H18	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C24	C23	C20	H17	120.2°	120.0°
C24	C23	C20	H18	120.2°	120.0°
C24	C23	C20	C19	113.5°	90.0°
C24	C23	C20	C21	67.4°	90.0°
C23	C24	H14	H15	120.0°	120.0°
C23	C24	H14	H16	120.0°	120.0°
C23	C24	H15	H16	120.0°	120.0°
C24	C23	H17	H18	119.4°	120.0°
C23	C20	C19	C21	179.1°	180.0°
C23	C20	C19	N18	179.2°	180.0°
C23	C20	C21	C22	179.8°	180.0°
C23	C20	C21	H5	0.2°	0.3°
C20	C23	C24	H14	180.0°	60.0°
C20	C23	C24	H15	60.0°	60.0°
C20	C23	C24	H16	60.0°	180.0°
C20	C23	H17	H18	119.4°	120.0°
C23	C20	C19	H19	0.8°	0.0°
C20	C19	N18	H19	180.0°	180.0°
C19	C20	C21	C22	0.6°	0.0°
C20	C19	N18	C17	0.1°	0.1°
C19	C20	C21	H5	179.4°	179.7°
C19	C20	C23	H17	6.7°	30.0°
C19	C20	C23	H18	126.3°	150.0°
C21	C20	C19	N18	0.1°	0.0°
C20	C21	C22	H5	180.0°	179.7°
C20	C21	C22	C17	1.1°	0.0°
C21	C20	C23	H17	172.5°	150.0°
C21	C20	C23	H18	52.9°	30.0°
C21	C20	C19	H19	180.0°	180.0°
C20	C21	C22	H20	178.9°	179.7°
C19	N18	C17	C22	0.4°	0.1°
C19	N18	C17	C15	179.3°	180.0°
C21	C22	C17	N18	1.0°	0.1°
C21	C22	C17	H20	180.0°	179.7°
C21	C22	C17	C15	179.9°	180.0°
N18	C17	C22	C15	179.0°	179.9°
N18	C17	C15	C14	114.7°	55.1°
N18	C17	C15	H12	125.0°	175.0°
N18	C17	C15	H13	5.6°	64.9°
C17	N18	C19	H19	179.9°	179.9°
N18	C17	C22	H20	179.1°	179.7°
C22	C17	C15	C14	66.3°	125.0°
C17	C22	C21	H5	178.9°	179.7°
C22	C17	C15	H12	54.0°	5.1°
C22	C17	C15	H13	173.4°	115.0°
C17	C15	C14	H12	120.3°	119.9°
C17	C15	C14	H13	120.3°	120.1°
C17	C15	C14	O13	95.3°	180.0°
C17	C15	C14	H10	24.8°	60.0°
C17	C15	C14	H11	144.6°	59.9°
C17	C15	H12	H13	119.1°	120.1°
C15	C17	C22	H20	0.1°	0.3°
C15	C14	O13	H10	120.1°	119.9°
C15	C14	O13	H11	120.1°	120.1°
C15	C14	O13	C10	165.0°	180.0°
C15	C14	H10	H11	119.7°	120.0°
C14	C15	H12	H13	119.2°	120.0°
C14	O13	C10	C9	154.0°	180.0°
C14	O13	C10	C11	26.4°	0.4°
O13	C14	H10	H11	119.7°	120.0°
O13	C14	C15	H12	144.4°	60.1°
O13	C14	C15	H13	25.0°	59.9°
O13	C10	C9	C11	179.6°	179.7°
O13	C10	C9	C8	179.8°	179.9°
O13	C10	C11	C12	179.6°	179.7°
O13	C10	C11	H7	0.4°	0.3°
O13	C10	C9	H8	0.1°	0.3°
C10	O13	C14	H10	44.9°	60.0°
C10	O13	C14	H11	74.9°	60.0°
C10	C9	C8	H8	180.0°	179.8°
C9	C10	C11	C12	0.8°	0.0°
C10	C9	C8	C7	0.7°	0.5°
C9	C10	C11	H7	179.2°	180.0°
C10	C9	C8	H9	179.3°	180.0°
C11	C10	C9	C8	0.3°	0.3°
C10	C11	C12	H7	180.0°	180.0°
C10	C11	C12	C7	0.4°	0.0°
C10	C11	C12	H6	179.6°	180.0°
C11	C10	C9	H8	179.7°	179.9°
C9	C8	C7	H9	180.0°	179.5°
C9	C8	C7	C12	1.1°	0.5°
C9	C8	C7	C6	180.0°	179.8°
C11	C12	C7	C8	0.5°	0.3°
C11	C12	C7	H6	180.0°	179.9°
C11	C12	C7	C6	179.4°	180.0°
C8	C7	C12	C6	178.9°	179.8°
C8	C7	C6	C5	93.3°	90.3°
C8	C7	C6	H3	146.4°	149.8°
C8	C7	C6	H4	26.9°	29.7°
C8	C7	C12	H6	179.5°	179.8°
C7	C8	C9	H8	179.3°	179.7°
S1	C2	O2	N3	179.7°	180.0°
C2	S1	C5	C6	116.1°	118.3°
C2	S1	C5	C4	2.4°	0.2°
S1	C2	N3	C4	0.8°	0.1°
S1	C2	N3	H1	179.2°	179.9°
C2	S1	C5	H2	121.9°	118.6°
S1	C5	C6	C7	74.9°	71.3°
C5	S1	C2	O2	177.8°	180.0°
C5	S1	C2	N3	1.9°	0.1°
S1	C5	C6	C4	112.9°	113.6°
S1	C5	C6	H2	119.9°	123.2°
S1	C5	C4	H2	115.7°	118.5°
S1	C5	C4	N3	2.4°	0.3°
S1	C5	C4	O4	178.6°	180.0°
S1	C5	C6	H3	164.9°	48.6°
S1	C5	C6	H4	45.3°	168.6°
C12	C7	C6	C5	87.8°	90.0°
C12	C7	C6	H3	32.4°	30.0°
C12	C7	C6	H4	152.0°	150.0°
C7	C12	C11	H7	179.6°	180.0°
C12	C7	C8	H9	179.0°	180.0°
C7	C6	C5	H3	120.2°	120.0°
C7	C6	C5	H4	120.2°	120.0°
C7	C6	C5	C4	172.2°	175.0°
C7	C6	C5	H2	45.0°	51.9°
C7	C6	H3	H4	119.3°	120.1°
C6	C7	C12	H6	0.6°	0.0°
C6	C7	C8	H9	0.1°	0.2°
O2	C2	N3	C4	178.9°	179.9°
O2	C2	N3	H1	1.1°	0.1°
C2	N3	C4	C5	1.3°	0.2°
C2	N3	C4	H1	180.0°	180.0°
C2	N3	C4	O4	179.7°	180.0°
C6	C5	C4	H2	126.2°	123.1°
C6	C5	C4	N3	115.7°	118.2°
C6	C5	C4	O4	63.4°	61.5°
C5	C6	H3	H4	119.4°	119.9°
C5	C4	N3	O4	179.0°	179.7°
C5	C4	N3	H1	178.7°	179.8°
C4	C5	C6	H3	52.0°	65.0°
C4	C5	C6	H4	67.6°	55.0°
N3	C4	C5	H2	118.1°	118.8°
O4	C4	N3	H1	0.3°	0.0°
O4	C4	C5	H2	62.8°	61.5°
H2	C5	C6	H3	75.2°	171.9°
H2	C5	C6	H4	165.2°	68.1°
H5	C21	C22	H20	1.1°	0.0°
H6	C12	C11	H7	0.4°	0.0°
H8	C9	C8	H9	0.7°	0.2°
H10	C14	C15	H12	95.5°	180.0°
H10	C14	C15	H13	145.1°	60.0°
H11	C14	C15	H12	24.4°	60.0°
H11	C14	C15	H13	95.1°	180.0°
H14	C24	H15	H16	120.0°	120.0°
H14	C24	C23	H17	59.8°	60.0°
H14	C24	C23	H18	59.8°	NaN°
H15	C24	C23	H17	60.2°	180.0°
H15	C24	C23	H18	179.8°	60.0°
H16	C24	C23	H17	179.8°	60.0°
H16	C24	C23	H18	60.2°	60.0°

Release date:	2017-12-20
Definition date:	2017-08-09
Last modified:	2021-03-01
Release status:	REL
Processing site:	PDBJ
Derived from:	5Y2O