SJ6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C25	C24	doub	1.38Å	1.40Å	Aromatic
C25	C20	sing	1.40Å	1.42Å	Aromatic
N21	C20	sing	1.36Å	1.41Å	Aromatic
N21	C17	doub	1.31Å	1.34Å	Aromatic
C24	C23	sing	1.39Å	1.40Å	Aromatic
C13	C12	doub	1.38Å	1.39Å	Aromatic
C13	C14	sing	1.40Å	1.39Å	Aromatic
C20	C19	doub	1.40Å	1.38Å	Aromatic
C12	C10	sing	1.38Å	1.39Å	Aromatic
C17	C14	sing	1.48Å	1.53Å
C17	O18	sing	1.35Å	1.30Å	Aromatic
C14	C15	doub	1.40Å	1.39Å	Aromatic
C10	C11	sing	1.51Å	1.53Å
C10	C16	doub	1.38Å	1.38Å	Aromatic
C23	C26	sing	1.51Å	1.53Å
C23	C22	doub	1.38Å	1.39Å	Aromatic
C11	N9	sing	1.46Å	1.45Å
C19	O18	sing	1.35Å	1.35Å	Aromatic
C19	C22	sing	1.39Å	1.42Å	Aromatic
C15	C16	sing	1.38Å	1.38Å	Aromatic
N9	C7	sing	1.35Å	1.45Å
C7	O8	doub	1.22Å	1.18Å
C7	C5	sing	1.48Å	1.52Å
C4	C5	doub	1.40Å	1.39Å	Aromatic
C4	N3	sing	1.32Å	1.32Å	Aromatic
C5	C6	sing	1.40Å	1.39Å	Aromatic
N3	C2	doub	1.32Å	1.32Å	Aromatic
C6	C1	doub	1.38Å	1.39Å	Aromatic
C2	C1	sing	1.38Å	1.38Å	Aromatic
C13	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C22	H3	sing	1.08Å	1.08Å
C24	H4	sing	1.08Å	1.08Å
C26	H5	sing	1.09Å	1.10Å
C26	H6	sing	1.09Å	1.10Å
C26	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.08Å	1.08Å
C2	H9	sing	1.08Å	1.08Å
C4	H10	sing	1.08Å	1.08Å
C6	H11	sing	1.08Å	1.08Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.08Å	1.08Å
C16	H15	sing	1.08Å	1.08Å
C25	H16	sing	1.08Å	1.08Å
N9	H17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C24	C25	C20	119.8°	119.7°
C25	C24	C23	120.2°	120.5°
C25	C24	H4	119.9°	119.8°
C24	C25	H16	120.1°	120.1°
C25	C20	N21	135.6°	133.7°
C25	C20	C19	119.8°	119.7°
C20	C25	H16	120.1°	120.1°
C20	N21	C17	107.7°	108.8°
N21	C20	C19	104.6°	106.7°
N21	C17	C14	126.2°	125.0°
N21	C17	O18	110.0°	110.1°
C24	C23	C26	120.2°	119.8°
C24	C23	C22	120.0°	120.5°
C23	C24	H4	119.9°	119.7°
C12	C13	C14	119.8°	119.9°
C13	C12	C10	119.9°	120.1°
C12	C13	H1	120.1°	120.1°
C13	C12	H14	120.1°	120.0°
C13	C14	C17	121.1°	120.2°
C13	C14	C15	120.3°	119.7°
C14	C13	H1	120.1°	120.0°
C20	C19	O18	108.3°	106.4°
C20	C19	C22	120.5°	119.8°
C12	C10	C11	120.6°	119.8°
C12	C10	C16	120.2°	120.3°
C10	C12	H14	120.1°	119.9°
C14	C17	O18	123.8°	125.0°
C17	C14	C15	118.7°	120.2°
C17	O18	C19	109.4°	108.1°
C14	C15	C16	119.9°	119.9°
C14	C15	H2	120.0°	120.0°
C11	C10	C16	119.1°	119.9°
C10	C11	N9	119.2°	109.4°
C10	C11	H12	107.0°	109.5°
C10	C11	H13	107.0°	109.4°
C10	C16	C15	119.9°	120.2°
C10	C16	H15	120.0°	119.9°
C26	C23	C22	119.7°	119.7°
C23	C26	H5	109.5°	109.4°
C23	C26	H6	109.5°	109.5°
C23	C26	H7	109.5°	109.4°
C23	C22	C19	119.7°	119.9°
C23	C22	H3	120.1°	120.1°
C11	N9	C7	121.0°	120.0°
N9	C11	H12	107.0°	109.5°
N9	C11	H13	107.0°	109.5°
C11	N9	H17	119.5°	120.0°
O18	C19	C22	131.3°	133.8°
C19	C22	H3	120.1°	120.0°
C16	C15	H2	120.0°	120.1°
C15	C16	H15	120.0°	119.9°
N9	C7	O8	121.4°	120.0°
N9	C7	C5	117.6°	120.0°
C7	N9	H17	119.5°	120.0°
O8	C7	C5	121.0°	120.0°
C7	C5	C4	118.7°	120.6°
C7	C5	C6	121.5°	120.6°
C5	C4	N3	121.3°	120.6°
C4	C5	C6	119.8°	118.9°
C5	C4	H10	119.3°	119.7°
C4	N3	C2	120.6°	121.9°
N3	C4	H10	119.4°	119.8°
C5	C6	C1	117.2°	118.3°
C5	C6	H11	121.4°	120.8°
N3	C2	C1	121.3°	121.1°
N3	C2	H9	119.4°	119.5°
C6	C1	C2	119.9°	119.3°
C6	C1	H8	120.1°	120.4°
C1	C6	H11	121.4°	120.9°
C2	C1	H8	120.1°	120.4°
C1	C2	H9	119.4°	119.4°
H5	C26	H6	109.4°	109.5°
H5	C26	H7	109.5°	109.5°
H6	C26	H7	109.5°	109.5°
H12	C11	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C24	C25	C20	H16	180.0°	179.9°
C24	C25	C20	N21	180.0°	180.0°
C25	C24	C23	H4	180.0°	180.0°
C24	C25	C20	C19	0.0°	0.1°
C25	C24	C23	C26	179.8°	180.0°
C25	C24	C23	C22	0.3°	0.0°
C25	C20	N21	C19	180.0°	179.9°
C25	C20	N21	C17	179.3°	179.9°
C20	C25	C24	C23	0.1°	0.0°
C25	C20	C19	O18	180.0°	180.0°
C25	C20	C19	C22	0.2°	0.1°
C20	C25	C24	H4	179.9°	180.0°
C20	N21	C17	C14	178.5°	180.0°
C20	N21	C17	O18	1.1°	0.3°
N21	C20	C19	O18	0.0°	0.0°
N21	C20	C19	C22	179.8°	180.0°
N21	C20	C25	H16	0.0°	0.1°
N21	C17	C14	C13	2.1°	0.3°
C17	N21	C20	C19	0.6°	0.2°
N21	C17	C14	O18	177.0°	179.7°
N21	C17	C14	C15	175.8°	179.4°
N21	C17	O18	C19	1.1°	0.2°
C24	C23	C26	C22	179.9°	180.0°
C24	C23	C22	C19	0.4°	0.0°
C24	C23	C22	H3	179.6°	180.0°
C24	C23	C26	H5	90.1°	90.0°
C24	C23	C26	H6	149.9°	150.0°
C24	C23	C26	H7	30.0°	29.9°
C23	C24	C25	H16	179.9°	179.9°
C12	C13	C14	H1	180.0°	179.9°
C13	C12	C10	H14	180.0°	180.0°
C12	C13	C14	C17	178.9°	180.0°
C12	C13	C14	C15	1.0°	0.3°
C13	C12	C10	C11	178.5°	180.0°
C13	C12	C10	C16	1.4°	0.3°
C14	C13	C12	C10	0.2°	0.0°
C13	C14	C17	C15	177.9°	179.6°
C13	C14	C17	O18	179.2°	180.0°
C13	C14	C15	C16	1.1°	0.3°
C13	C14	C15	H2	178.9°	179.7°
C14	C13	C12	H14	179.8°	179.9°
C20	C19	O18	C17	0.7°	0.1°
C20	C19	C22	C23	0.4°	0.1°
C20	C19	O18	C22	179.8°	180.0°
C20	C19	C22	H3	179.6°	180.0°
C19	C20	C25	H16	179.9°	179.9°
C12	C10	C11	C16	177.2°	179.8°
C12	C10	C11	N9	84.7°	89.8°
C12	C10	C16	C15	1.3°	0.2°
C10	C12	C13	H1	179.8°	180.0°
C12	C10	C11	H12	36.7°	30.2°
C12	C10	C11	H13	153.9°	150.3°
C12	C10	C16	H15	178.7°	179.8°
C14	C17	O18	C19	178.6°	180.0°
C17	C14	C15	C16	179.0°	180.0°
C17	C14	C13	H1	1.1°	0.1°
C17	C14	C15	H2	1.0°	0.0°
O18	C17	C14	C15	1.2°	0.4°
C17	O18	C19	C22	179.5°	179.8°
C14	C15	C16	C10	0.1°	0.1°
C14	C15	C16	H2	180.0°	180.0°
C15	C14	C13	H1	179.0°	179.7°
C14	C15	C16	H15	179.9°	179.9°
C10	C11	N9	H12	121.4°	120.0°
C10	C11	N9	H13	121.4°	119.9°
C11	C10	C16	C15	178.5°	180.0°
C10	C11	N9	C7	91.0°	180.0°
C10	C11	H12	H13	115.6°	120.0°
C11	C10	C12	H14	1.5°	0.0°
C11	C10	C16	H15	1.5°	0.0°
C10	C11	N9	H17	89.0°	0.0°
C16	C10	C11	N9	98.1°	90.0°
C10	C16	C15	H15	180.0°	180.0°
C10	C16	C15	H2	179.9°	179.9°
C16	C10	C11	H12	140.5°	150.0°
C16	C10	C11	H13	23.3°	30.0°
C16	C10	C12	H14	178.6°	179.8°
C26	C23	C22	C19	179.7°	180.0°
C26	C23	C22	H3	0.3°	0.1°
C26	C23	C24	H4	0.2°	0.0°
C23	C26	H5	H6	120.0°	120.0°
C23	C26	H5	H7	120.0°	119.9°
C23	C26	H6	H7	120.0°	120.0°
C23	C22	C19	O18	179.8°	180.0°
C23	C22	C19	H3	180.0°	179.9°
C22	C23	C24	H4	179.7°	180.0°
C22	C23	C26	H5	90.1°	90.0°
C22	C23	C26	H6	29.9°	30.0°
C22	C23	C26	H7	149.9°	150.0°
C11	N9	C7	H17	180.0°	180.0°
C11	N9	C7	O8	1.6°	0.0°
C11	N9	C7	C5	178.1°	180.0°
N9	C11	H12	H13	115.6°	120.0°
O18	C19	C22	H3	0.2°	0.1°
N9	C7	O8	C5	179.7°	180.0°
N9	C7	C5	C4	15.2°	0.0°
N9	C7	C5	C6	165.9°	179.8°
C7	N9	C11	H12	147.7°	60.0°
C7	N9	C11	H13	30.4°	60.0°
O8	C7	C5	C4	164.5°	180.0°
O8	C7	C5	C6	14.4°	0.3°
O8	C7	N9	H17	178.4°	180.0°
C7	C5	C4	C6	178.9°	179.8°
C7	C5	C4	N3	179.4°	179.9°
C7	C5	C6	C1	179.4°	179.7°
C7	C5	C4	H10	0.6°	0.2°
C7	C5	C6	H11	0.6°	0.3°
C5	C7	N9	H17	2.0°	0.0°
C5	C4	N3	H10	180.0°	179.8°
C5	C4	N3	C2	0.0°	0.2°
C4	C5	C6	C1	0.5°	0.1°
C4	C5	C6	H11	179.5°	180.0°
N3	C4	C5	C6	0.5°	0.2°
C4	N3	C2	C1	0.3°	0.1°
C4	N3	C2	H9	179.7°	180.0°
C5	C6	C1	H11	180.0°	180.0°
C5	C6	C1	C2	0.2°	0.3°
C5	C6	C1	H8	179.8°	179.9°
C6	C5	C4	H10	179.5°	180.0°
N3	C2	C1	C6	0.2°	0.4°
N3	C2	C1	H9	180.0°	179.9°
N3	C2	C1	H8	179.8°	180.0°
C2	N3	C4	H10	180.0°	180.0°
C6	C1	C2	H8	180.0°	179.6°
C6	C1	C2	H9	179.8°	179.8°
C2	C1	C6	H11	179.8°	179.7°
H1	C13	C12	H14	0.2°	0.0°
H2	C15	C16	H15	0.1°	0.1°
H4	C24	C25	H16	0.1°	0.1°
H5	C26	H6	H7	120.0°	120.0°
H8	C1	C2	H9	0.2°	0.2°
H8	C1	C6	H11	0.2°	0.1°
H12	C11	N9	H17	32.4°	120.0°
H13	C11	N9	H17	149.6°	119.9°

Release date:	2023-10-11
Definition date:	2023-04-12
Last modified:	2023-10-06
Release status:	REL
Processing site:	PDBJ
Derived from:	8IVU