J4O

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C22	C21	sing	1.53Å	1.52Å
C21	C17	sing	1.51Å	1.51Å
C11	C10	doub	1.40Å	1.39Å	Aromatic
C11	C12	sing	1.37Å	1.40Å	Aromatic
N15	C10	sing	1.36Å	1.35Å	Aromatic
N15	C14	doub	1.31Å	1.34Å	Aromatic
O25	C23	doub	1.21Å	1.22Å
C10	C9	sing	1.41Å	1.48Å	Aromatic
C12	C7	doub	1.39Å	1.40Å	Aromatic
C17	C18	sing	1.42Å	1.49Å	Aromatic
C17	C16	doub	1.36Å	1.47Å	Aromatic
C23	C24	sing	1.51Å	1.49Å
C23	C18	sing	1.47Å	1.50Å
C18	C19	doub	1.38Å	1.51Å	Aromatic
C14	C16	sing	1.47Å	1.49Å
C14	N13	sing	1.37Å	1.34Å	Aromatic
C16	N20	sing	1.38Å	1.34Å	Aromatic
C4	C5	sing	1.53Å	1.53Å
C4	N3	sing	1.47Å	1.46Å
C7	C8	sing	1.39Å	1.39Å	Aromatic
C7	N3	sing	1.40Å	1.40Å
C9	N13	sing	1.38Å	1.34Å	Aromatic
C9	C8	doub	1.39Å	1.38Å	Aromatic
C19	N20	sing	1.34Å	1.35Å	Aromatic
C19	C26	sing	1.51Å	1.51Å
C5	O6	sing	1.43Å	1.42Å
N3	C2	sing	1.47Å	1.47Å
O6	C1	sing	1.43Å	1.42Å
C2	C1	sing	1.53Å	1.52Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C11	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.08Å	1.08Å
C2	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C21	H7	sing	1.09Å	1.10Å
C21	H8	sing	1.09Å	1.10Å
C22	H9	sing	1.09Å	1.10Å
C22	H10	sing	1.09Å	1.10Å
C22	H11	sing	1.09Å	1.10Å
C24	H12	sing	1.09Å	1.10Å
C24	H13	sing	1.09Å	1.10Å
C24	H14	sing	1.09Å	1.10Å
C26	H15	sing	1.09Å	1.10Å
C26	H16	sing	1.09Å	1.10Å
C26	H17	sing	1.09Å	1.10Å
C4	H18	sing	1.09Å	1.10Å
C4	H19	sing	1.09Å	1.10Å
C5	H20	sing	1.09Å	1.10Å
C5	H21	sing	1.09Å	1.10Å
C8	H22	sing	1.08Å	1.08Å
N13	H23	sing	0.97Å	1.00Å
N20	H25	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C22	C21	C17	108.2°	109.5°
C22	C21	H7	109.8°	109.5°
C22	C21	H8	109.8°	109.4°
C21	C22	H9	109.5°	109.5°
C21	C22	H10	109.5°	109.5°
C21	C22	H11	109.5°	109.4°
C21	C17	C18	130.7°	126.5°
C21	C17	C16	129.4°	126.5°
C17	C21	H7	109.8°	109.5°
C17	C21	H8	109.8°	109.4°
C10	C11	C12	119.7°	120.0°
C11	C10	N15	134.8°	133.3°
C11	C10	C9	118.2°	119.5°
C10	C11	H3	120.1°	120.0°
C11	C12	C7	121.5°	120.6°
C12	C11	H3	120.1°	120.0°
C11	C12	H4	119.2°	119.7°
C10	N15	C14	104.3°	109.7°
N15	C10	C9	107.0°	107.2°
N15	C14	C16	125.9°	125.1°
N15	C14	N13	116.9°	109.7°
O25	C23	C24	120.5°	120.0°
O25	C23	C18	120.5°	120.0°
C10	C9	N13	107.7°	106.3°
C10	C9	C8	120.0°	119.9°
C12	C7	C8	120.5°	120.3°
C12	C7	N3	122.3°	119.9°
C7	C12	H4	119.2°	119.7°
C18	C17	C16	99.8°	107.0°
C17	C18	C23	122.7°	126.5°
C17	C18	C19	107.8°	106.9°
C17	C16	C14	125.8°	125.8°
C17	C16	N20	115.1°	108.5°
C24	C23	C18	119.0°	120.0°
C23	C24	H12	109.5°	109.5°
C23	C24	H13	109.5°	109.5°
C23	C24	H14	109.5°	109.4°
C23	C18	C19	129.6°	126.6°
C18	C19	N20	107.6°	108.3°
C18	C19	C26	130.3°	125.8°
C16	C14	N13	117.1°	125.2°
C14	C16	N20	119.1°	125.7°
C14	N13	C9	104.2°	107.2°
C14	N13	H23	127.9°	126.4°
C16	N20	C19	109.6°	109.3°
C16	N20	H25	125.2°	125.3°
C5	C4	N3	110.9°	109.3°
C4	C5	O6	110.1°	109.2°
C5	C4	H18	109.1°	109.5°
C5	C4	H19	109.1°	109.5°
C4	C5	H20	109.3°	109.5°
C4	C5	H21	109.3°	109.5°
C4	N3	C7	118.7°	111.0°
C4	N3	C2	125.0°	110.8°
N3	C4	H18	109.1°	109.5°
N3	C4	H19	109.1°	109.5°
C8	C7	N3	117.2°	119.8°
C7	C8	C9	120.1°	119.6°
C7	C8	H22	120.0°	120.2°
C7	N3	C2	116.2°	111.0°
N13	C9	C8	132.4°	133.8°
C9	N13	H23	127.9°	126.4°
C9	C8	H22	119.9°	120.2°
N20	C19	C26	122.1°	125.9°
C19	N20	H25	125.2°	125.4°
C19	C26	H15	109.5°	109.4°
C19	C26	H16	109.5°	109.5°
C19	C26	H17	109.4°	109.5°
C5	O6	C1	108.8°	113.7°
O6	C5	H20	109.4°	109.5°
O6	C5	H21	109.3°	109.5°
N3	C2	C1	111.3°	109.3°
N3	C2	H5	109.0°	109.5°
N3	C2	H6	109.0°	109.5°
O6	C1	C2	109.2°	109.3°
O6	C1	H1	109.6°	109.5°
O6	C1	H2	109.6°	109.5°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.5°	109.5°
C1	C2	H5	109.0°	109.5°
C1	C2	H6	109.0°	109.6°
H1	C1	H2	109.5°	109.5°
H5	C2	H6	109.5°	109.5°
H7	C21	H8	109.5°	109.5°
H9	C22	H10	109.5°	109.5°
H9	C22	H11	109.5°	109.4°
H10	C22	H11	109.4°	109.5°
H12	C24	H13	109.5°	109.5°
H12	C24	H14	109.5°	109.5°
H13	C24	H14	109.4°	109.5°
H15	C26	H16	109.5°	109.5°
H15	C26	H17	109.5°	109.5°
H16	C26	H17	109.5°	109.5°
H18	C4	H19	109.5°	109.5°
H20	C5	H21	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C22	C21	C17	H7	119.8°	120.0°
C22	C21	C17	H8	119.8°	120.0°
C22	C21	C17	C18	77.0°	89.9°
C22	C21	C17	C16	101.3°	89.9°
C22	C21	H7	H8	120.6°	120.0°
C21	C22	H9	H10	120.0°	120.1°
C21	C22	H9	H11	120.0°	120.0°
C21	C22	H10	H11	120.0°	120.0°
C21	C17	C18	C16	178.7°	179.9°
C21	C17	C18	C23	1.4°	0.1°
C21	C17	C18	C19	179.2°	180.0°
C21	C17	C16	C14	1.9°	0.1°
C21	C17	C16	N20	179.4°	179.8°
C17	C21	H7	H8	120.6°	120.0°
C17	C21	C22	H9	180.0°	180.0°
C17	C21	C22	H10	60.0°	59.9°
C17	C21	C22	H11	60.0°	60.0°
C10	C11	C12	H3	180.0°	180.0°
C11	C10	N15	C9	179.9°	179.8°
C11	C10	N15	C14	179.6°	179.8°
C10	C11	C12	C7	0.3°	0.0°
C11	C10	C9	N13	179.9°	180.0°
C11	C10	C9	C8	0.1°	0.0°
C10	C11	C12	H4	179.8°	179.9°
C12	C11	C10	N15	179.8°	179.8°
C12	C11	C10	C9	0.1°	0.0°
C11	C12	C7	H4	180.0°	180.0°
C11	C12	C7	C8	0.3°	0.0°
C11	C12	C7	N3	179.6°	180.0°
C10	N15	C14	C16	179.7°	179.9°
C10	N15	C14	N13	0.7°	0.4°
N15	C10	C9	N13	0.2°	0.2°
N15	C10	C9	C8	180.0°	179.8°
N15	C10	C11	H3	0.2°	0.2°
C14	N15	C10	C9	0.5°	0.3°
N15	C14	C16	C17	13.1°	0.6°
N15	C14	C16	N13	179.0°	179.7°
N15	C14	C16	N20	168.2°	179.8°
N15	C14	N13	C9	0.5°	0.2°
N15	C14	N13	H23	179.5°	180.0°
O25	C23	C18	C17	18.7°	87.7°
O25	C23	C24	C18	179.6°	180.0°
O25	C23	C18	C19	160.6°	92.3°
O25	C23	C24	H12	0.0°	175.2°
O25	C23	C24	H13	120.0°	55.2°
O25	C23	C24	H14	120.0°	64.8°
C10	C9	N13	C14	0.2°	0.0°
C10	C9	C8	C7	0.1°	0.0°
C10	C9	N13	C8	179.8°	180.0°
C9	C10	C11	H3	179.9°	180.0°
C10	C9	C8	H22	179.9°	180.0°
C10	C9	N13	H23	179.9°	179.8°
C12	C7	N3	C4	29.6°	0.0°
C12	C7	C8	N3	179.9°	180.0°
C12	C7	C8	C9	0.1°	0.0°
C12	C7	N3	C2	153.9°	123.6°
C7	C12	C11	H3	179.7°	180.0°
C12	C7	C8	H22	179.9°	180.0°
C17	C18	C23	C24	161.7°	92.3°
C17	C18	C23	C19	179.3°	179.9°
C18	C17	C16	C14	179.4°	180.0°
C18	C17	C16	N20	0.7°	0.3°
C17	C18	C19	N20	0.2°	0.2°
C17	C18	C19	C26	179.6°	180.0°
C18	C17	C21	H7	163.2°	150.1°
C18	C17	C21	H8	42.8°	30.0°
C16	C17	C18	C23	180.0°	179.9°
C16	C17	C18	C19	0.5°	0.1°
C17	C16	C14	N20	178.7°	179.6°
C17	C16	C14	N13	165.9°	179.6°
C17	C16	N20	C19	0.6°	0.4°
C16	C17	C21	H7	18.5°	30.1°
C16	C17	C21	H8	138.9°	150.1°
C17	C16	N20	H25	179.4°	179.7°
C24	C23	C18	C19	19.0°	87.7°
C23	C24	H12	H13	120.0°	120.0°
C23	C24	H12	H14	120.0°	120.0°
C23	C24	H13	H14	120.0°	119.9°
C23	C18	C19	N20	179.6°	179.8°
C23	C18	C19	C26	0.2°	0.0°
C18	C23	C24	H12	179.6°	4.7°
C18	C23	C24	H13	60.3°	124.8°
C18	C23	C24	H14	59.6°	115.2°
C18	C19	N20	C16	0.2°	0.4°
C18	C19	N20	C26	179.9°	179.8°
C18	C19	C26	H15	90.1°	89.8°
C18	C19	C26	H16	149.9°	150.2°
C18	C19	C26	H17	29.9°	30.2°
C18	C19	N20	H25	179.8°	179.7°
C16	C14	N13	C9	179.6°	180.0°
C14	C16	N20	C19	179.4°	179.9°
C16	C14	N13	H23	0.4°	0.3°
C14	C16	N20	H25	0.6°	0.0°
N13	C14	C16	N20	12.8°	0.0°
C14	N13	C9	H23	180.0°	179.7°
C14	N13	C9	C8	179.6°	180.0°
C16	N20	C19	H25	180.0°	179.9°
C16	N20	C19	C26	179.9°	179.8°
C5	C4	N3	H18	120.2°	120.0°
C5	C4	N3	H19	120.2°	119.9°
C5	C4	N3	C7	168.5°	177.6°
C4	C5	O6	H20	120.1°	119.9°
C4	C5	O6	H21	120.1°	120.0°
C5	C4	N3	C2	15.4°	58.6°
C4	C5	O6	C1	70.8°	58.6°
C5	C4	H18	H19	119.3°	120.1°
C4	C5	H20	H21	119.7°	120.1°
C4	N3	C7	C8	150.3°	180.0°
C4	N3	C7	C2	176.5°	123.6°
N3	C4	C5	O6	40.1°	56.8°
C4	N3	C2	C1	16.2°	58.6°
C4	N3	C2	H5	136.5°	61.3°
C4	N3	C2	H6	104.0°	178.6°
N3	C4	H18	H19	119.3°	120.1°
N3	C4	C5	H20	160.2°	176.8°
N3	C4	C5	H21	80.0°	63.1°
C7	C8	C9	N13	179.8°	180.0°
C7	C8	C9	H22	180.0°	180.0°
C8	C7	N3	C2	26.2°	56.3°
C8	C7	C12	H4	179.7°	180.0°
N3	C7	C8	C9	179.8°	180.0°
C7	N3	C2	C1	167.5°	177.7°
N3	C7	C12	H4	0.4°	0.1°
C7	N3	C2	H5	47.3°	62.4°
C7	N3	C2	H6	72.2°	57.6°
C7	N3	C4	H18	48.2°	57.7°
C7	N3	C4	H19	71.3°	62.4°
N3	C7	C8	H22	0.2°	0.0°
N13	C9	C8	H22	0.2°	0.0°
C8	C9	N13	H23	0.4°	0.2°
N20	C19	C26	H15	90.1°	90.0°
N20	C19	C26	H16	30.0°	30.0°
N20	C19	C26	H17	149.9°	150.0°
C19	C26	H15	H16	120.0°	120.0°
C19	C26	H15	H17	120.0°	120.0°
C19	C26	H16	H17	120.0°	120.0°
C26	C19	N20	H25	0.1°	0.1°
C5	O6	C1	C2	71.2°	58.7°
C5	O6	C1	H1	168.8°	61.3°
C5	O6	C1	H2	48.7°	178.6°
O6	C5	C4	H18	160.3°	176.8°
O6	C5	C4	H19	80.1°	63.1°
O6	C5	H20	H21	119.7°	120.1°
N3	C2	C1	O6	41.5°	56.8°
N3	C2	C1	H5	120.3°	119.9°
N3	C2	C1	H6	120.3°	120.0°
N3	C2	C1	H1	161.5°	63.1°
N3	C2	C1	H2	78.4°	176.8°
N3	C2	H5	H6	119.1°	120.1°
C2	N3	C4	H18	135.6°	178.6°
C2	N3	C4	H19	104.8°	61.3°
O6	C1	C2	H1	119.9°	119.9°
O6	C1	C2	H2	120.0°	120.0°
O6	C1	H1	H2	120.2°	120.1°
O6	C1	C2	H5	161.8°	63.1°
O6	C1	C2	H6	78.7°	176.8°
C1	O6	C5	H20	169.1°	178.6°
C1	O6	C5	H21	49.3°	61.3°
C2	C1	H1	H2	120.1°	120.1°
C1	C2	H5	H6	119.1°	120.2°
H1	C1	C2	H5	78.2°	177.0°
H1	C1	C2	H6	41.2°	56.9°
H2	C1	C2	H5	41.9°	56.9°
H2	C1	C2	H6	161.3°	63.2°
H3	C11	C12	H4	0.3°	0.0°
H7	C21	C22	H9	60.2°	60.0°
H7	C21	C22	H10	59.8°	180.0°
H7	C21	C22	H11	179.8°	60.0°
H8	C21	C22	H9	60.2°	60.1°
H8	C21	C22	H10	179.8°	60.0°
H8	C21	C22	H11	59.8°	NaN°
H9	C22	H10	H11	120.0°	120.0°
H12	C24	H13	H14	120.0°	120.0°
H15	C26	H16	H17	120.0°	120.0°
H18	C4	C5	H20	79.6°	63.3°
H18	C4	C5	H21	40.2°	56.8°
H19	C4	C5	H20	40.0°	56.8°
H19	C4	C5	H21	159.8°	176.9°

Release date:	2022-03-30
Definition date:	2021-04-06
Last modified:	2022-03-25
Release status:	REL
Processing site:	PDBJ
Derived from:	7EHW