H9C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C3	doub	0.00Å	1.40Å	Aromatic
C2	C1	sing	0.00Å	1.42Å	Aromatic
C3	C4	sing	0.00Å	1.40Å	Aromatic
C14	C13	sing	0.00Å	1.42Å	Aromatic
C14	C15	doub	0.00Å	1.40Å	Aromatic
C1	N1	doub	0.00Å	1.43Å	Aromatic
C13	N3	doub	0.00Å	1.43Å	Aromatic
C15	C16	sing	0.00Å	1.40Å	Aromatic
C4	C5	sing	0.00Å	1.40Å	Aromatic
C4	C12	doub	0.00Å	1.43Å	Aromatic
N1	C12	sing	0.00Å	1.39Å	Aromatic
N1	PT	sing	0.00Å	2.18Å
C5	C6	doub	0.00Å	1.40Å	Aromatic
N3	C24	sing	0.00Å	1.39Å	Aromatic
N3	PT	sing	0.00Å	2.18Å
C16	C24	doub	0.00Å	1.43Å	Aromatic
C16	C17	sing	0.00Å	1.41Å	Aromatic
C12	C11	sing	0.00Å	1.35Å	Aromatic
C24	C23	sing	0.00Å	1.35Å	Aromatic
C17	C18	doub	0.00Å	1.40Å	Aromatic
PT	N2	sing	0.00Å	2.19Å
PT	N4	sing	0.00Å	2.18Å
C6	C7	sing	0.00Å	1.41Å	Aromatic
C11	C7	doub	0.00Å	1.42Å	Aromatic
C11	N2	sing	0.00Å	1.39Å	Aromatic
C23	N4	doub	0.00Å	1.39Å	Aromatic
C23	C19	sing	0.00Å	1.43Å	Aromatic
C7	C8	sing	0.00Å	1.40Å	Aromatic
N2	C10	doub	0.00Å	1.42Å	Aromatic
C18	C19	sing	0.00Å	1.41Å	Aromatic
N4	C22	sing	0.00Å	1.42Å	Aromatic
C19	C20	doub	0.00Å	1.40Å	Aromatic
C8	C9	doub	0.00Å	1.39Å	Aromatic
C10	C9	sing	0.00Å	1.41Å	Aromatic
C22	C21	doub	0.00Å	1.42Å	Aromatic
C20	C21	sing	0.00Å	1.40Å	Aromatic
C1	H1	sing	0.00Å	1.08Å
C2	H2	sing	0.00Å	1.08Å
C3	H3	sing	0.00Å	1.08Å
C5	H5	sing	0.00Å	1.08Å
C6	H6	sing	0.00Å	1.08Å
C8	H8	sing	0.00Å	1.08Å
C9	H9	sing	0.00Å	1.08Å
C10	H10	sing	0.00Å	1.08Å
C13	H13	sing	0.00Å	1.08Å
C14	H14	sing	0.00Å	1.08Å
C15	H15	sing	0.00Å	1.08Å
C17	H17	sing	0.00Å	1.08Å
C18	H18	sing	0.00Å	1.08Å
C20	H20	sing	0.00Å	1.08Å
C21	H21	sing	0.00Å	1.08Å
C22	H22	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	C1	120.3°	90.0°
C2	C3	C4	119.5°	90.0°
C3	C2	H2	119.9°	90.0°
C2	C3	H3	120.2°	90.0°
C2	C1	N1	120.6°	90.0°
C2	C1	H1	119.7°	90.0°
C1	C2	H2	119.9°	90.0°
C3	C4	C5	120.1°	90.0°
C3	C4	C12	120.1°	90.0°
C4	C3	H3	120.2°	90.0°
C13	C14	C15	120.3°	90.0°
C14	C13	N3	120.6°	90.0°
C14	C13	H13	119.7°	90.0°
C13	C14	H14	119.9°	90.0°
C14	C15	C16	119.6°	90.0°
C15	C14	H14	119.8°	90.0°
C14	C15	H15	120.2°	90.0°
C1	N1	C12	118.1°	90.0°
C1	N1	PT	127.7°	90.0°
N1	C1	H1	119.7°	90.0°
C13	N3	C24	118.2°	90.0°
C13	N3	PT	127.7°	90.0°
N3	C13	H13	119.7°	90.0°
C15	C16	C24	120.0°	90.0°
C15	C16	C17	120.2°	90.0°
C16	C15	H15	120.2°	90.0°
C5	C4	C12	119.8°	90.0°
C4	C5	C6	119.7°	90.0°
C4	C5	H5	120.2°	90.0°
C4	C12	N1	121.4°	90.0°
C4	C12	C11	120.4°	90.0°
C12	N1	PT	114.2°	90.0°
N1	C12	C11	118.3°	90.0°
N1	PT	N3	105.9°	90.0°
N1	PT	N2	75.2°	90.0°
N1	PT	N4	170.2°	90.0°
C5	C6	C7	119.7°	90.0°
C6	C5	H5	120.1°	90.0°
C5	C6	H6	120.2°	90.0°
C24	N3	PT	114.1°	90.0°
N3	C24	C16	121.3°	90.0°
N3	C24	C23	118.2°	90.0°
N3	PT	N2	170.1°	90.0°
N3	PT	N4	75.3°	90.0°
C24	C16	C17	119.8°	90.0°
C16	C24	C23	120.5°	90.0°
C16	C17	C18	119.7°	90.0°
C16	C17	H17	120.1°	90.0°
C12	C11	C7	120.5°	90.0°
C12	C11	N2	118.3°	90.0°
C24	C23	N4	118.3°	90.0°
C24	C23	C19	120.4°	90.0°
C17	C18	C19	119.6°	90.0°
C18	C17	H17	120.1°	90.0°
C17	C18	H18	120.2°	90.0°
N2	PT	N4	105.4°	90.0°
PT	N2	C11	114.0°	90.0°
PT	N2	C10	127.6°	90.0°
PT	N4	C23	114.1°	90.0°
PT	N4	C22	127.7°	90.0°
C6	C7	C11	119.9°	90.0°
C6	C7	C8	120.2°	90.0°
C7	C6	H6	120.1°	90.0°
C7	C11	N2	121.1°	90.0°
C11	C7	C8	119.8°	90.0°
C11	N2	C10	118.4°	90.0°
N4	C23	C19	121.2°	90.0°
C23	N4	C22	118.2°	90.0°
C23	C19	C18	119.9°	90.0°
C23	C19	C20	120.1°	90.0°
C7	C8	C9	119.9°	90.0°
C7	C8	H8	120.1°	90.0°
N2	C10	C9	120.5°	90.0°
N2	C10	H10	119.8°	90.0°
C18	C19	C20	120.0°	90.0°
C19	C18	H18	120.2°	90.0°
N4	C22	C21	120.7°	90.0°
N4	C22	H22	119.6°	90.0°
C19	C20	C21	119.5°	90.0°
C19	C20	H20	120.2°	90.0°
C8	C9	C10	120.3°	90.0°
C9	C8	H8	120.0°	90.0°
C8	C9	H9	119.9°	90.0°
C10	C9	H9	119.9°	90.0°
C9	C10	H10	119.8°	90.0°
C22	C21	C20	120.3°	90.0°
C22	C21	H21	119.8°	90.0°
C21	C22	H22	119.6°	90.0°
C21	C20	H20	120.3°	90.0°
C20	C21	H21	119.8°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	C1	H2	180.0°	90.0°
C2	C3	C4	H3	180.0°	90.0°
C3	C2	C1	N1	0.0°	90.0°
C2	C3	C4	C5	179.9°	90.0°
C2	C3	C4	C12	0.0°	90.0°
C3	C2	C1	H1	180.0°	90.0°
C1	C2	C3	C4	0.0°	90.0°
C2	C1	N1	H1	180.0°	90.0°
C2	C1	N1	C12	0.0°	90.0°
C2	C1	N1	PT	179.4°	90.0°
C1	C2	C3	H3	180.0°	90.0°
C3	C4	C5	C12	179.9°	90.0°
C3	C4	C12	N1	0.1°	90.0°
C3	C4	C5	C6	180.0°	90.0°
C3	C4	C12	C11	180.0°	90.0°
C4	C3	C2	H2	180.0°	90.0°
C3	C4	C5	H5	0.0°	90.0°
C13	C14	C15	H14	180.0°	90.0°
C14	C13	N3	H13	180.0°	90.0°
C13	C14	C15	C16	0.0°	90.0°
C14	C13	N3	C24	0.0°	90.0°
C14	C13	N3	PT	180.0°	90.0°
C13	C14	C15	H15	180.0°	90.0°
C15	C14	C13	N3	0.0°	90.0°
C14	C15	C16	H15	180.0°	90.0°
C14	C15	C16	C24	0.0°	90.0°
C14	C15	C16	C17	180.0°	90.0°
C15	C14	C13	H13	180.0°	90.0°
C1	N1	C12	C4	0.1°	90.0°
C1	N1	C12	PT	179.5°	90.0°
C1	N1	PT	N3	10.2°	90.0°
C1	N1	C12	C11	180.0°	90.0°
C1	N1	PT	N2	180.0°	90.0°
C1	N1	PT	N4	85.2°	90.0°
N1	C1	C2	H2	180.0°	90.0°
C13	N3	PT	N1	10.1°	90.0°
C13	N3	C24	PT	180.0°	90.0°
C13	N3	C24	C16	0.0°	90.0°
C13	N3	C24	C23	179.9°	90.0°
C13	N3	PT	N2	84.8°	90.0°
C13	N3	PT	N4	179.9°	90.0°
N3	C13	C14	H14	180.0°	90.0°
C15	C16	C24	N3	0.0°	90.0°
C15	C16	C24	C17	180.0°	90.0°
C15	C16	C24	C23	179.9°	90.0°
C15	C16	C17	C18	179.9°	90.0°
C16	C15	C14	H14	180.0°	90.0°
C15	C16	C17	H17	0.0°	90.0°
C5	C4	C12	N1	180.0°	90.0°
C4	C5	C6	H5	180.0°	90.0°
C5	C4	C12	C11	0.1°	90.0°
C4	C5	C6	C7	0.0°	90.0°
C5	C4	C3	H3	0.1°	90.0°
C4	C5	C6	H6	180.0°	90.0°
C4	C12	N1	C11	179.9°	90.0°
C4	C12	N1	PT	179.5°	90.0°
C12	C4	C5	C6	0.1°	90.0°
C4	C12	C11	C7	0.1°	90.0°
C4	C12	C11	N2	180.0°	90.0°
C12	C4	C3	H3	180.0°	90.0°
C12	C4	C5	H5	179.9°	90.0°
C12	N1	PT	N3	169.2°	90.0°
C12	N1	PT	N2	0.6°	90.0°
C12	N1	PT	N4	95.4°	90.0°
N1	C12	C11	C7	179.9°	90.0°
N1	C12	C11	N2	0.1°	90.0°
C12	N1	C1	H1	180.0°	90.0°
N1	PT	N3	C24	169.9°	90.0°
N1	PT	N3	N2	94.9°	90.0°
N1	PT	N3	N4	169.9°	90.0°
PT	N1	C12	C11	0.6°	90.0°
N1	PT	N2	N4	169.8°	90.0°
N1	PT	N2	C11	0.6°	90.0°
N1	PT	N4	C23	98.1°	90.0°
N1	PT	N2	C10	179.9°	90.0°
N1	PT	N4	C22	82.0°	90.0°
PT	N1	C1	H1	0.6°	90.0°
C5	C6	C7	H6	180.0°	90.0°
C5	C6	C7	C11	0.0°	90.0°
C5	C6	C7	C8	180.0°	90.0°
N3	C24	C16	C23	180.0°	90.0°
N3	C24	C16	C17	180.0°	90.0°
C24	N3	PT	N2	95.2°	90.0°
C24	N3	PT	N4	0.1°	90.0°
N3	C24	C23	N4	0.0°	90.0°
N3	C24	C23	C19	180.0°	90.0°
C24	N3	C13	H13	180.0°	90.0°
PT	N3	C24	C16	180.0°	90.0°
PT	N3	C24	C23	0.1°	90.0°
N3	PT	N2	N4	92.6°	90.0°
N3	PT	N2	C11	97.0°	90.0°
N3	PT	N4	C23	0.1°	90.0°
N3	PT	N2	C10	82.4°	90.0°
N3	PT	N4	C22	180.0°	90.0°
PT	N3	C13	H13	0.0°	90.0°
C24	C16	C17	C18	0.1°	90.0°
C16	C24	C23	N4	180.0°	90.0°
C16	C24	C23	C19	0.1°	90.0°
C24	C16	C15	H15	180.0°	90.0°
C24	C16	C17	H17	179.9°	90.0°
C17	C16	C24	C23	0.1°	90.0°
C16	C17	C18	H17	180.0°	90.0°
C16	C17	C18	C19	0.1°	90.0°
C17	C16	C15	H15	0.0°	90.0°
C16	C17	C18	H18	179.9°	90.0°
C12	C11	N2	PT	0.5°	90.0°
C12	C11	C7	C6	0.0°	90.0°
C12	C11	C7	N2	180.0°	90.0°
C12	C11	C7	C8	180.0°	90.0°
C12	C11	N2	C10	179.9°	90.0°
C24	C23	N4	PT	0.0°	90.0°
C24	C23	N4	C19	180.0°	90.0°
C24	C23	C19	C18	0.0°	90.0°
C24	C23	N4	C22	180.0°	90.0°
C24	C23	C19	C20	180.0°	90.0°
C17	C18	C19	C23	0.1°	90.0°
C17	C18	C19	H18	180.0°	90.0°
C17	C18	C19	C20	179.9°	90.0°
PT	N2	C11	C7	179.5°	90.0°
PT	N2	C11	C10	179.5°	90.0°
N2	PT	N4	C23	169.8°	90.0°
N2	PT	N4	C22	10.2°	90.0°
PT	N2	C10	C9	179.5°	90.0°
PT	N2	C10	H10	0.5°	90.0°
N4	PT	N2	C11	170.4°	90.0°
PT	N4	C23	C22	179.9°	90.0°
PT	N4	C23	C19	179.9°	90.0°
N4	PT	N2	C10	10.2°	90.0°
PT	N4	C22	C21	179.9°	90.0°
PT	N4	C22	H22	0.1°	90.0°
C6	C7	C11	C8	179.9°	90.0°
C6	C7	C11	N2	179.9°	90.0°
C6	C7	C8	C9	179.9°	90.0°
C7	C6	C5	H5	180.0°	90.0°
C6	C7	C8	H8	0.1°	90.0°
C7	C11	N2	C10	0.1°	90.0°
C11	C7	C8	C9	0.0°	90.0°
C11	C7	C6	H6	179.9°	90.0°
C11	C7	C8	H8	179.9°	90.0°
N2	C11	C7	C8	0.0°	90.0°
C11	N2	C10	C9	0.1°	90.0°
C11	N2	C10	H10	179.9°	90.0°
N4	C23	C19	C18	180.0°	90.0°
N4	C23	C19	C20	0.0°	90.0°
C23	N4	C22	C21	0.0°	90.0°
C23	N4	C22	H22	180.0°	90.0°
C23	C19	C18	C20	180.0°	90.0°
C19	C23	N4	C22	0.0°	90.0°
C23	C19	C20	C21	0.0°	90.0°
C23	C19	C18	H18	179.9°	90.0°
C23	C19	C20	H20	180.0°	90.0°
C7	C8	C9	H8	180.0°	90.0°
C7	C8	C9	C10	0.0°	90.0°
C8	C7	C6	H6	0.0°	90.0°
C7	C8	C9	H9	180.0°	90.0°
N2	C10	C9	C8	0.1°	90.0°
N2	C10	C9	H10	180.0°	90.0°
N2	C10	C9	H9	179.9°	90.0°
C18	C19	C20	C21	180.0°	90.0°
C19	C18	C17	H17	179.9°	90.0°
C18	C19	C20	H20	0.0°	90.0°
N4	C22	C21	H22	180.0°	90.0°
N4	C22	C21	C20	0.0°	90.0°
N4	C22	C21	H21	180.0°	90.0°
C19	C20	C21	C22	0.0°	90.0°
C19	C20	C21	H20	180.0°	90.0°
C20	C19	C18	H18	0.1°	90.0°
C19	C20	C21	H21	180.0°	90.0°
C8	C9	C10	H9	180.0°	90.0°
C8	C9	C10	H10	180.0°	90.0°
C10	C9	C8	H8	180.0°	90.0°
C22	C21	C20	H21	180.0°	90.0°
C22	C21	C20	H20	180.0°	90.0°
C20	C21	C22	H22	180.0°	90.0°
H1	C1	C2	H2	0.0°	90.0°
H2	C2	C3	H3	0.0°	90.0°
H5	C5	C6	H6	0.0°	90.0°
H8	C8	C9	H9	0.0°	90.0°
H9	C9	C10	H10	0.1°	90.0°
H13	C13	C14	H14	0.0°	90.0°
H14	C14	C15	H15	0.0°	90.0°
H17	C17	C18	H18	0.1°	90.0°
H20	C20	C21	H21	0.0°	90.0°
H21	C21	C22	H22	0.1°	90.0°

Release date:	2022-01-12
Definition date:	2020-12-01
Last modified:	2022-01-07
Release status:	REL
Processing site:	PDBJ
Derived from:	7DJU