9IL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C13	doub	1.21Å	1.26Å
C13	C12	sing	1.51Å	1.53Å
C13	O3	sing	1.34Å	1.25Å
C12	N2	sing	1.46Å	1.45Å
N2	C11	sing	1.35Å	1.33Å
C11	O1	doub	1.22Å	1.23Å
C11	C10	sing	1.47Å	1.50Å
C10	N1	doub	1.34Å	1.34Å	Aromatic
C10	C9	sing	1.39Å	1.43Å	Aromatic
N1	C2	sing	1.31Å	1.34Å	Aromatic
O4	C9	sing	1.36Å	1.34Å
C9	C8	doub	1.41Å	1.43Å	Aromatic
C2	O6	sing	1.36Å	1.34Å
C2	C3	doub	1.42Å	1.43Å	Aromatic
C1	O6	sing	1.43Å	1.42Å
C8	C3	sing	1.42Å	1.41Å	Aromatic
C8	C7	sing	1.40Å	1.42Å	Aromatic
C3	C4	sing	1.40Å	1.42Å	Aromatic
C26	C19	sing	1.51Å	1.50Å
C7	C6	doub	1.36Å	1.36Å	Aromatic
C4	C5	doub	1.38Å	1.36Å	Aromatic
C6	C5	sing	1.40Å	1.40Å	Aromatic
C5	O5	sing	1.36Å	1.39Å
C19	C18	doub	1.38Å	1.38Å	Aromatic
C19	C14	sing	1.39Å	1.39Å	Aromatic
C18	C17	sing	1.40Å	1.39Å	Aromatic
O5	C14	sing	1.36Å	1.40Å
C22	C21	doub	1.38Å	1.38Å	Aromatic
C22	C23	sing	1.38Å	1.38Å	Aromatic
C21	C20	sing	1.40Å	1.39Å	Aromatic
C14	C15	doub	1.39Å	1.39Å	Aromatic
C17	C28	sing	1.47Å	1.49Å
C17	C16	doub	1.40Å	1.39Å	Aromatic
C23	C24	doub	1.38Å	1.38Å	Aromatic
C20	C28	sing	1.48Å	1.49Å
C20	C25	doub	1.40Å	1.39Å	Aromatic
C28	O29	doub	1.22Å	1.22Å
C15	C16	sing	1.38Å	1.38Å	Aromatic
C15	C27	sing	1.51Å	1.50Å
C24	C25	sing	1.38Å	1.38Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C21	H4	sing	1.08Å	1.08Å
C22	H5	sing	1.08Å	1.08Å
C23	H6	sing	1.08Å	1.08Å
C24	H7	sing	1.08Å	1.08Å
C26	H8	sing	1.09Å	1.10Å
C26	H9	sing	1.09Å	1.10Å
C26	H10	sing	1.09Å	1.10Å
N2	H11	sing	0.97Å	1.00Å
C12	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
O3	H14	sing	0.97Å	0.95Å
O4	H15	sing	0.97Å	0.95Å
C16	H16	sing	1.08Å	1.08Å
C18	H17	sing	1.08Å	1.08Å
C25	H18	sing	1.08Å	1.08Å
C27	H19	sing	1.09Å	1.10Å
C27	H20	sing	1.09Å	1.10Å
C27	H21	sing	1.09Å	1.10Å
C1	H22	sing	1.09Å	1.10Å
C1	H23	sing	1.09Å	1.10Å
C1	H24	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C13	C12	117.2°	120.0°
O2	C13	O3	125.7°	120.0°
C12	C13	O3	117.1°	120.0°
C13	C12	N2	114.9°	109.4°
C13	C12	H12	108.1°	109.5°
C13	C12	H13	108.1°	109.5°
C13	O3	H14	109.5°	117.0°
C12	N2	C11	120.7°	120.0°
C12	N2	H11	119.6°	120.1°
N2	C12	H12	108.1°	109.5°
N2	C12	H13	108.1°	109.5°
N2	C11	O1	122.7°	120.0°
N2	C11	C10	116.9°	120.0°
C11	N2	H11	119.6°	120.0°
O1	C11	C10	120.2°	120.0°
C11	C10	N1	116.5°	119.3°
C11	C10	C9	122.9°	119.3°
N1	C10	C9	120.6°	121.3°
C10	N1	C2	120.6°	122.6°
C10	C9	O4	121.3°	120.7°
C10	C9	C8	119.7°	118.5°
N1	C2	O6	120.2°	119.8°
N1	C2	C3	123.2°	120.3°
O4	C9	C8	119.0°	120.7°
C9	O4	H15	109.5°	114.0°
C9	C8	C3	118.2°	118.3°
C9	C8	C7	123.1°	121.8°
O6	C2	C3	116.5°	119.8°
C2	O6	C1	117.0°	117.0°
C2	C3	C8	117.7°	118.9°
C2	C3	C4	122.8°	121.7°
O6	C1	H22	109.5°	109.5°
O6	C1	H23	109.5°	109.4°
O6	C1	H24	109.5°	109.4°
C3	C8	C7	118.8°	119.8°
C8	C3	C4	119.5°	119.4°
C8	C7	C6	120.8°	119.7°
C8	C7	H3	119.6°	120.2°
C3	C4	C5	119.5°	119.4°
C3	C4	H1	120.2°	120.4°
C26	C19	C18	119.7°	119.9°
C26	C19	C14	122.3°	120.0°
C19	C26	H8	109.5°	109.4°
C19	C26	H9	109.5°	109.4°
C19	C26	H10	109.4°	109.5°
C7	C6	C5	119.9°	120.8°
C7	C6	H2	120.0°	119.5°
C6	C7	H3	119.6°	120.1°
C4	C5	C6	121.5°	120.8°
C4	C5	O5	125.5°	119.6°
C5	C4	H1	120.2°	120.2°
C6	C5	O5	113.0°	119.6°
C5	C6	H2	120.0°	119.6°
C5	O5	C14	133.1°	118.0°
C18	C19	C14	118.0°	120.1°
C19	C18	C17	121.6°	119.9°
C19	C18	H17	119.2°	120.1°
C19	C14	O5	120.8°	119.9°
C19	C14	C15	122.1°	120.2°
C18	C17	C28	118.4°	120.1°
C18	C17	C16	119.1°	119.8°
C17	C18	H17	119.2°	120.0°
O5	C14	C15	116.9°	119.9°
C21	C22	C23	120.2°	120.1°
C22	C21	C20	120.2°	119.9°
C22	C21	H4	119.9°	120.1°
C21	C22	H5	119.9°	120.0°
C22	C23	C24	120.0°	120.3°
C23	C22	H5	119.9°	119.9°
C22	C23	H6	120.0°	119.9°
C21	C20	C28	120.0°	120.2°
C21	C20	C25	119.1°	119.7°
C20	C21	H4	119.9°	120.0°
C14	C15	C16	118.5°	120.1°
C14	C15	C27	120.4°	119.9°
C28	C17	C16	122.5°	120.1°
C17	C28	C20	118.8°	120.0°
C17	C28	O29	121.0°	119.9°
C17	C16	C15	120.8°	119.9°
C17	C16	H16	119.6°	120.0°
C23	C24	C25	120.3°	120.2°
C24	C23	H6	120.0°	119.8°
C23	C24	H7	119.8°	119.9°
C28	C20	C25	120.9°	120.1°
C20	C28	O29	120.1°	120.1°
C20	C25	C24	120.1°	119.8°
C20	C25	H18	119.9°	120.1°
C16	C15	C27	121.1°	120.0°
C15	C16	H16	119.6°	120.0°
C15	C27	H19	109.5°	109.5°
C15	C27	H20	109.5°	109.5°
C15	C27	H21	109.5°	109.4°
C25	C24	H7	119.8°	119.9°
C24	C25	H18	120.0°	120.1°
H8	C26	H9	109.5°	109.5°
H8	C26	H10	109.5°	109.5°
H9	C26	H10	109.5°	109.5°
H12	C12	H13	109.5°	109.5°
H19	C27	H20	109.4°	109.5°
H19	C27	H21	109.5°	109.5°
H20	C27	H21	109.5°	109.5°
H22	C1	H23	109.5°	109.5°
H22	C1	H24	109.5°	109.5°
H23	C1	H24	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C13	C12	O3	179.5°	180.0°
O2	C13	C12	N2	118.8°	0.0°
O2	C13	C12	H12	2.0°	120.0°
O2	C13	C12	H13	120.4°	120.0°
O2	C13	O3	H14	0.0°	0.0°
C13	C12	N2	H12	120.8°	119.9°
C13	C12	N2	H13	120.8°	120.0°
C13	C12	N2	C11	91.5°	180.0°
C13	C12	N2	H11	88.5°	0.0°
C13	C12	H12	H13	117.5°	120.0°
C12	C13	O3	H14	179.4°	180.0°
O3	C13	C12	N2	61.7°	180.0°
O3	C13	C12	H12	177.5°	60.0°
O3	C13	C12	H13	59.1°	60.0°
C12	N2	C11	H11	180.0°	180.0°
C12	N2	C11	O1	29.1°	0.0°
C12	N2	C11	C10	145.2°	180.0°
N2	C12	H12	H13	117.6°	120.1°
N2	C11	O1	C10	174.2°	180.0°
N2	C11	C10	N1	116.1°	0.0°
N2	C11	C10	C9	66.0°	180.0°
C11	N2	C12	H12	147.7°	60.0°
C11	N2	C12	H13	29.3°	60.0°
O1	C11	C10	N1	58.4°	180.0°
O1	C11	C10	C9	119.4°	0.0°
O1	C11	N2	H11	150.9°	180.0°
C11	C10	N1	C9	177.9°	180.0°
C11	C10	N1	C2	179.3°	180.0°
C11	C10	C9	O4	2.0°	0.0°
C11	C10	C9	C8	178.8°	179.9°
C10	C11	N2	H11	34.8°	0.1°
N1	C10	C9	O4	179.8°	180.0°
N1	C10	C9	C8	1.1°	0.1°
C10	N1	C2	O6	179.2°	180.0°
C10	N1	C2	C3	1.0°	0.0°
C9	C10	N1	C2	1.4°	0.0°
C10	C9	O4	C8	179.2°	179.9°
C10	C9	C8	C3	0.3°	0.1°
C10	C9	C8	C7	179.4°	180.0°
C10	C9	O4	H15	180.0°	89.9°
N1	C2	O6	C3	179.8°	180.0°
N1	C2	O6	C1	29.6°	0.0°
N1	C2	C3	C8	0.3°	0.0°
N1	C2	C3	C4	179.7°	180.0°
O4	C9	C8	C3	179.5°	180.0°
O4	C9	C8	C7	0.2°	0.1°
C9	C8	C3	C2	0.0°	0.0°
C9	C8	C3	C7	179.8°	179.9°
C9	C8	C3	C4	180.0°	180.0°
C9	C8	C7	C6	180.0°	180.0°
C9	C8	C7	H3	0.0°	0.1°
C8	C9	O4	H15	0.9°	89.9°
O6	C2	C3	C8	179.9°	180.0°
O6	C2	C3	C4	0.2°	0.0°
C2	O6	C1	H22	180.0°	180.0°
C2	O6	C1	H23	60.0°	60.0°
C2	O6	C1	H24	60.0°	60.0°
C3	C2	O6	C1	150.2°	180.0°
C2	C3	C8	C4	180.0°	180.0°
C2	C3	C8	C7	179.8°	179.9°
C2	C3	C4	C5	179.6°	180.0°
C2	C3	C4	H1	0.3°	0.0°
O6	C1	H22	H23	120.0°	120.0°
O6	C1	H22	H24	120.0°	119.9°
O6	C1	H23	H24	120.0°	119.9°
C3	C8	C7	C6	0.2°	0.1°
C8	C3	C4	C5	0.4°	0.1°
C8	C3	C4	H1	179.6°	179.9°
C3	C8	C7	H3	179.8°	180.0°
C7	C8	C3	C4	0.3°	0.1°
C8	C7	C6	H3	180.0°	179.9°
C8	C7	C6	C5	0.3°	0.1°
C8	C7	C6	H2	179.7°	180.0°
C3	C4	C5	H1	180.0°	180.0°
C3	C4	C5	C6	0.5°	0.1°
C3	C4	C5	O5	179.8°	180.0°
C26	C19	C18	C14	179.1°	179.9°
C26	C19	C18	C17	179.5°	179.9°
C26	C19	C14	O5	4.3°	0.4°
C26	C19	C14	C15	178.6°	179.9°
C19	C26	H8	H9	120.0°	119.9°
C19	C26	H8	H10	120.0°	120.0°
C19	C26	H9	H10	120.0°	120.0°
C26	C19	C18	H17	0.6°	0.0°
C7	C6	C5	C4	0.5°	0.1°
C7	C6	C5	H2	180.0°	179.8°
C7	C6	C5	O5	179.8°	180.0°
C4	C5	C6	O5	179.7°	179.9°
C4	C5	O5	C14	11.4°	180.0°
C4	C5	C6	H2	179.6°	179.9°
C6	C5	O5	C14	168.9°	0.0°
C6	C5	C4	H1	179.5°	179.9°
C5	C6	C7	H3	179.7°	180.0°
C5	O5	C14	C19	61.1°	90.3°
C5	O5	C14	C15	124.2°	90.0°
O5	C5	C4	H1	0.1°	0.0°
O5	C5	C6	H2	0.1°	0.1°
C19	C18	C17	H17	180.0°	179.9°
C18	C19	C14	O5	176.7°	179.7°
C18	C19	C14	C15	2.3°	0.0°
C19	C18	C17	C28	179.6°	179.9°
C19	C18	C17	C16	1.3°	0.0°
C18	C19	C26	H8	90.5°	90.0°
C18	C19	C26	H9	149.6°	150.0°
C18	C19	C26	H10	29.6°	30.0°
C14	C19	C18	C17	0.4°	0.0°
C19	C14	O5	C15	174.6°	179.7°
C19	C14	C15	C16	2.5°	0.1°
C19	C14	C15	C27	179.4°	179.9°
C14	C19	C26	H8	90.5°	90.1°
C14	C19	C26	H9	29.5°	29.9°
C14	C19	C26	H10	149.5°	149.9°
C14	C19	C18	H17	179.7°	179.9°
C18	C17	C28	C16	178.2°	179.9°
C18	C17	C28	C20	75.2°	172.4°
C18	C17	C28	O29	101.7°	7.6°
C18	C17	C16	C15	1.1°	0.0°
C18	C17	C16	H16	178.9°	180.0°
O5	C14	C15	C16	177.1°	179.8°
O5	C14	C15	C27	4.8°	0.2°
C21	C22	C23	H5	180.0°	180.0°
C22	C21	C20	H4	180.0°	180.0°
C21	C22	C23	C24	0.0°	0.0°
C22	C21	C20	C28	179.2°	180.0°
C22	C21	C20	C25	0.5°	0.3°
C21	C22	C23	H6	180.0°	179.9°
C23	C22	C21	C20	0.2°	0.0°
C22	C23	C24	H6	180.0°	179.9°
C22	C23	C24	C25	0.2°	0.3°
C23	C22	C21	H4	179.8°	180.0°
C22	C23	C24	H7	179.8°	180.0°
C21	C20	C28	C17	94.2°	34.2°
C21	C20	C28	C25	178.7°	179.7°
C21	C20	C28	O29	82.8°	145.8°
C21	C20	C25	C24	0.6°	0.6°
C20	C21	C22	H5	179.8°	180.0°
C21	C20	C25	H18	179.4°	179.7°
C14	C15	C16	C17	0.7°	0.1°
C14	C15	C16	C27	178.1°	180.0°
C14	C15	C16	H16	179.3°	180.0°
C14	C15	C27	H19	91.0°	90.0°
C14	C15	C27	H20	149.0°	150.0°
C14	C15	C27	H21	29.1°	30.1°
C17	C28	C20	O29	176.9°	180.0°
C17	C28	C20	C25	84.5°	146.1°
C28	C17	C16	C15	179.3°	180.0°
C28	C17	C16	H16	0.7°	0.1°
C28	C17	C18	H17	0.4°	0.0°
C16	C17	C28	C20	103.1°	7.6°
C16	C17	C28	O29	80.1°	172.4°
C17	C16	C15	H16	180.0°	179.9°
C17	C16	C15	C27	178.8°	179.9°
C16	C17	C18	H17	178.7°	179.9°
C23	C24	C25	C20	0.5°	0.6°
C23	C24	C25	H7	180.0°	179.7°
C24	C23	C22	H5	180.0°	180.0°
C23	C24	C25	H18	179.5°	179.7°
C28	C20	C25	C24	179.3°	179.7°
C28	C20	C21	H4	0.8°	0.0°
C28	C20	C25	H18	0.7°	0.0°
C25	C20	C28	O29	98.5°	33.9°
C20	C25	C24	H18	180.0°	179.7°
C25	C20	C21	H4	179.5°	179.7°
C20	C25	C24	H7	179.5°	179.7°
C16	C15	C27	H19	91.0°	90.0°
C16	C15	C27	H20	29.0°	30.0°
C16	C15	C27	H21	149.0°	149.9°
C27	C15	C16	H16	1.2°	0.0°
C15	C27	H19	H20	120.0°	120.0°
C15	C27	H19	H21	120.0°	120.0°
C15	C27	H20	H21	120.0°	119.9°
C25	C24	C23	H6	179.9°	179.8°
H2	C6	C7	H3	0.3°	0.1°
H4	C21	C22	H5	0.2°	0.0°
H5	C22	C23	H6	0.0°	0.1°
H6	C23	C24	H7	0.2°	0.1°
H7	C24	C25	H18	0.5°	0.1°
H8	C26	H9	H10	120.1°	120.0°
H11	N2	C12	H12	32.3°	120.0°
H11	N2	C12	H13	150.7°	120.0°
H19	C27	H20	H21	120.0°	120.0°
H22	C1	H23	H24	120.0°	120.1°

Release date:	2022-05-18
Definition date:	2022-01-18
Last modified:	2022-05-13
Release status:	REL
Processing site:	PDBJ
Derived from:	7WMJ