EIK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C23	C22	sing	1.51Å	0.00Å
N21	C22	doub	1.31Å	0.00Å	Aromatic
N21	C20	sing	1.33Å	0.00Å	Aromatic
C22	C16	sing	1.41Å	0.00Å	Aromatic
C20	C19	doub	1.35Å	0.00Å	Aromatic
C16	N15	doub	1.33Å	0.00Å	Aromatic
C16	N17	sing	1.37Å	0.00Å	Aromatic
C19	N17	sing	1.36Å	0.00Å	Aromatic
C19	C24	sing	1.51Å	0.00Å
N15	C14	sing	1.32Å	0.00Å	Aromatic
N17	N18	sing	1.40Å	0.00Å	Aromatic
C14	N18	doub	1.31Å	0.00Å	Aromatic
C14	C13	sing	1.51Å	0.00Å
C13	C12	sing	1.53Å	0.00Å
C12	C9	sing	1.51Å	0.00Å
N8	C9	doub	1.30Å	0.00Å	Aromatic
N8	C7	sing	1.35Å	0.00Å	Aromatic
C9	N10	sing	1.35Å	0.00Å	Aromatic
C4	C5	doub	1.38Å	0.00Å	Aromatic
C4	C3	sing	1.39Å	0.00Å	Aromatic
C5	C6	sing	1.38Å	0.00Å	Aromatic
N10	C25	sing	1.46Å	0.00Å
N10	C11	sing	1.37Å	0.00Å	Aromatic
C7	C3	sing	1.48Å	0.00Å
C7	C11	doub	1.36Å	0.00Å	Aromatic
C3	C2	doub	1.39Å	0.00Å	Aromatic
C6	C1	doub	1.38Å	0.00Å	Aromatic
C2	C1	sing	1.38Å	0.00Å	Aromatic
C12	H1	sing	1.09Å	0.00Å
C12	H2	sing	1.09Å	0.00Å
C13	H3	sing	1.09Å	0.00Å
C13	H4	sing	1.09Å	0.00Å
C20	H5	sing	1.08Å	0.00Å
C23	H6	sing	1.09Å	0.00Å
C23	H7	sing	1.09Å	0.00Å
C23	H8	sing	1.09Å	0.00Å
C24	H9	sing	1.09Å	0.00Å
C24	H10	sing	1.09Å	0.00Å
C24	H11	sing	1.09Å	0.00Å
C1	H12	sing	1.08Å	0.00Å
C2	H13	sing	1.08Å	0.00Å
C4	H14	sing	1.08Å	0.00Å
C5	H15	sing	1.08Å	0.00Å
C6	H16	sing	1.08Å	0.00Å
C11	H17	sing	1.08Å	0.00Å
C25	H18	sing	1.09Å	0.00Å
C25	H19	sing	1.09Å	0.00Å
C25	H20	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C23	C22	N21	90.0°	120.2°
C23	C22	C16	90.0°	120.2°
C22	C23	H6	90.0°	109.5°
C22	C23	H7	90.0°	109.5°
C22	C23	H8	90.0°	109.5°
C22	N21	C20	90.0°	121.3°
N21	C22	C16	90.0°	119.6°
N21	C20	C19	90.0°	121.2°
N21	C20	H5	90.0°	119.4°
C22	C16	N15	90.0°	133.8°
C22	C16	N17	90.0°	118.9°
C20	C19	N17	90.0°	119.7°
C20	C19	C24	90.0°	120.2°
C19	C20	H5	90.0°	119.4°
N15	C16	N17	90.0°	107.4°
C16	N15	C14	90.0°	109.7°
C16	N17	C19	90.0°	119.4°
C16	N17	N18	90.0°	106.3°
N17	C19	C24	90.0°	120.2°
C19	N17	N18	90.0°	134.4°
C19	C24	H9	90.0°	109.4°
C19	C24	H10	90.0°	109.5°
C19	C24	H11	90.0°	109.5°
N15	C14	N18	90.0°	109.6°
N15	C14	C13	90.0°	125.1°
N17	N18	C14	90.0°	107.0°
N18	C14	C13	90.0°	125.2°
C14	C13	C12	90.0°	109.5°
C14	C13	H3	90.0°	109.4°
C14	C13	H4	90.0°	109.5°
C13	C12	C9	90.0°	109.4°
C13	C12	H1	90.0°	109.5°
C13	C12	H2	90.0°	109.4°
C12	C13	H3	90.0°	109.5°
C12	C13	H4	90.0°	109.5°
C12	C9	N8	90.0°	125.5°
C12	C9	N10	90.0°	125.5°
C9	C12	H1	90.0°	109.5°
C9	C12	H2	90.0°	109.5°
C9	N8	C7	90.0°	109.2°
N8	C9	N10	90.0°	109.0°
N8	C7	C3	90.0°	126.1°
N8	C7	C11	90.0°	107.7°
C9	N10	C25	90.0°	126.3°
C9	N10	C11	90.0°	107.4°
C5	C4	C3	90.0°	119.9°
C4	C5	C6	90.0°	120.1°
C5	C4	H14	90.0°	120.1°
C4	C5	H15	90.0°	119.9°
C4	C3	C7	90.0°	120.1°
C4	C3	C2	90.0°	119.7°
C3	C4	H14	90.0°	120.0°
C5	C6	C1	90.0°	120.3°
C6	C5	H15	90.0°	120.0°
C5	C6	H16	90.0°	119.9°
C25	N10	C11	90.0°	126.3°
N10	C25	H18	90.0°	109.5°
N10	C25	H19	90.0°	109.5°
N10	C25	H20	90.0°	109.5°
N10	C11	C7	90.0°	106.7°
N10	C11	H17	90.0°	126.7°
C3	C7	C11	90.0°	126.1°
C7	C3	C2	90.0°	120.1°
C7	C11	H17	90.0°	126.6°
C3	C2	C1	90.0°	119.9°
C3	C2	H13	90.0°	120.1°
C6	C1	C2	90.0°	120.1°
C6	C1	H12	90.0°	120.0°
C1	C6	H16	90.0°	119.8°
C2	C1	H12	90.0°	119.9°
C1	C2	H13	90.0°	120.0°
H1	C12	H2	90.0°	109.5°
H3	C13	H4	90.0°	109.4°
H6	C23	H7	90.0°	109.4°
H6	C23	H8	90.0°	109.5°
H7	C23	H8	90.0°	109.5°
H9	C24	H10	90.0°	109.5°
H9	C24	H11	90.0°	109.5°
H10	C24	H11	90.0°	109.5°
H18	C25	H19	90.0°	109.5°
H18	C25	H20	90.0°	109.4°
H19	C25	H20	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C23	C22	N21	C16	90.0°	179.6°
C23	C22	N21	C20	90.0°	179.6°
C23	C22	C16	N15	90.0°	0.1°
C23	C22	C16	N17	90.0°	179.6°
C22	C23	H6	H7	90.0°	120.0°
C22	C23	H6	H8	90.0°	120.0°
C22	C23	H7	H8	90.0°	120.0°
C22	N21	C20	C19	90.0°	0.4°
N21	C22	C16	N15	90.0°	179.8°
N21	C22	C16	N17	90.0°	0.8°
C22	N21	C20	H5	90.0°	179.6°
N21	C22	C23	H6	90.0°	89.6°
N21	C22	C23	H7	90.0°	30.3°
N21	C22	C23	H8	90.0°	150.3°
C20	N21	C22	C16	90.0°	0.8°
N21	C20	C19	H5	90.0°	180.0°
N21	C20	C19	N17	90.0°	0.0°
N21	C20	C19	C24	90.0°	180.0°
C22	C16	N15	N17	90.0°	179.5°
C22	C16	N17	C19	90.0°	0.4°
C22	C16	N15	C14	90.0°	179.9°
C22	C16	N17	N18	90.0°	179.9°
C16	C22	C23	H6	90.0°	90.0°
C16	C22	C23	H7	90.0°	150.0°
C16	C22	C23	H8	90.0°	30.0°
C20	C19	N17	C16	90.0°	0.0°
C20	C19	N17	C24	90.0°	180.0°
C20	C19	N17	N18	90.0°	179.7°
C20	C19	C24	H9	90.0°	90.0°
C20	C19	C24	H10	90.0°	30.0°
C20	C19	C24	H11	90.0°	150.0°
N15	C16	N17	C19	90.0°	180.0°
N15	C16	N17	N18	90.0°	0.3°
C16	N15	C14	N18	90.0°	0.4°
C16	N15	C14	C13	90.0°	179.8°
C16	N17	C19	N18	90.0°	179.7°
C16	N17	C19	C24	90.0°	180.0°
N17	C16	N15	C14	90.0°	0.4°
C16	N17	N18	C14	90.0°	0.0°
C19	N17	N18	C14	90.0°	179.7°
N17	C19	C20	H5	90.0°	180.0°
N17	C19	C24	H9	90.0°	90.0°
N17	C19	C24	H10	90.0°	150.0°
N17	C19	C24	H11	90.0°	30.0°
C24	C19	N17	N18	90.0°	0.3°
C24	C19	C20	H5	90.0°	0.0°
C19	C24	H9	H10	90.0°	120.0°
C19	C24	H9	H11	90.0°	120.0°
C19	C24	H10	H11	90.0°	120.0°
N15	C14	N18	N17	90.0°	0.2°
N15	C14	N18	C13	90.0°	179.7°
N15	C14	C13	C12	90.0°	90.4°
N15	C14	C13	H3	90.0°	149.7°
N15	C14	C13	H4	90.0°	29.7°
N17	N18	C14	C13	90.0°	180.0°
N18	C14	C13	C12	90.0°	89.9°
N18	C14	C13	H3	90.0°	30.0°
N18	C14	C13	H4	90.0°	150.0°
C14	C13	C12	H3	90.0°	120.0°
C14	C13	C12	H4	90.0°	120.1°
C14	C13	C12	C9	90.0°	180.0°
C14	C13	C12	H1	90.0°	59.9°
C14	C13	C12	H2	90.0°	60.0°
C14	C13	H3	H4	90.0°	120.0°
C13	C12	C9	H1	90.0°	120.0°
C13	C12	C9	H2	90.0°	119.9°
C13	C12	C9	N8	90.0°	90.1°
C13	C12	C9	N10	90.0°	90.1°
C13	C12	H1	H2	90.0°	119.9°
C12	C13	H3	H4	90.0°	120.0°
C12	C9	N8	N10	90.0°	179.9°
C12	C9	N8	C7	90.0°	179.6°
C12	C9	N10	C25	90.0°	0.1°
C12	C9	N10	C11	90.0°	179.7°
C9	C12	H1	H2	90.0°	120.1°
C9	C12	C13	H3	90.0°	60.0°
C9	C12	C13	H4	90.0°	59.9°
N8	C9	N10	C25	90.0°	180.0°
N8	C9	N10	C11	90.0°	0.2°
C9	N8	C7	C3	90.0°	179.9°
C9	N8	C7	C11	90.0°	0.3°
N8	C9	C12	H1	90.0°	149.9°
N8	C9	C12	H2	90.0°	29.8°
C7	N8	C9	N10	90.0°	0.3°
N8	C7	C3	C4	90.0°	179.7°
N8	C7	C11	N10	90.0°	0.2°
N8	C7	C3	C11	90.0°	179.8°
N8	C7	C3	C2	90.0°	0.2°
N8	C7	C11	H17	90.0°	179.8°
C9	N10	C25	C11	90.0°	179.7°
C9	N10	C11	C7	90.0°	0.0°
N10	C9	C12	H1	90.0°	29.9°
N10	C9	C12	H2	90.0°	150.0°
C9	N10	C11	H17	90.0°	180.0°
C9	N10	C25	H18	90.0°	90.0°
C9	N10	C25	H19	90.0°	150.0°
C9	N10	C25	H20	90.0°	30.0°
C5	C4	C3	H14	90.0°	179.7°
C4	C5	C6	H15	90.0°	179.7°
C5	C4	C3	C7	90.0°	179.9°
C5	C4	C3	C2	90.0°	0.0°
C4	C5	C6	C1	90.0°	0.5°
C4	C5	C6	H16	90.0°	179.9°
C3	C4	C5	C6	90.0°	0.3°
C4	C3	C7	C2	90.0°	179.9°
C4	C3	C7	C11	90.0°	0.1°
C4	C3	C2	C1	90.0°	0.1°
C4	C3	C2	H13	90.0°	180.0°
C3	C4	C5	H15	90.0°	180.0°
C5	C6	C1	H16	90.0°	179.5°
C5	C6	C1	C2	90.0°	0.5°
C5	C6	C1	H12	90.0°	179.7°
C6	C5	C4	H14	90.0°	180.0°
C25	N10	C11	C7	90.0°	179.8°
C25	N10	C11	H17	90.0°	0.2°
N10	C25	H18	H19	90.0°	120.0°
N10	C25	H18	H20	90.0°	120.0°
N10	C25	H19	H20	90.0°	120.0°
N10	C11	C7	C3	90.0°	180.0°
N10	C11	C7	H17	90.0°	180.0°
C11	N10	C25	H18	90.0°	89.8°
C11	N10	C25	H19	90.0°	30.3°
C11	N10	C25	H20	90.0°	150.3°
C7	C3	C2	C1	90.0°	180.0°
C7	C3	C2	H13	90.0°	0.1°
C7	C3	C4	H14	90.0°	0.2°
C3	C7	C11	H17	90.0°	0.0°
C11	C7	C3	C2	90.0°	180.0°
C3	C2	C1	C6	90.0°	0.2°
C3	C2	C1	H13	90.0°	180.0°
C3	C2	C1	H12	90.0°	180.0°
C2	C3	C4	H14	90.0°	179.7°
C6	C1	C2	H12	90.0°	179.8°
C6	C1	C2	H13	90.0°	179.8°
C1	C6	C5	H15	90.0°	179.7°
C2	C1	C6	H16	90.0°	180.0°
H1	C12	C13	H3	90.0°	60.0°
H1	C12	C13	H4	90.0°	180.0°
H2	C12	C13	H3	90.0°	180.0°
H2	C12	C13	H4	90.0°	60.1°
H6	C23	H7	H8	90.0°	120.0°
H9	C24	H10	H11	90.0°	120.0°
H12	C1	C2	H13	90.0°	0.0°
H12	C1	C6	H16	90.0°	0.2°
H14	C4	C5	H15	90.0°	0.3°
H15	C5	C6	H16	90.0°	0.2°
H18	C25	H19	H20	90.0°	120.0°

Release date:	2022-10-12
Definition date:	2022-01-06
Last modified:	2022-10-07
Release status:	REL
Processing site:	PDBE