A1EAB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	C11	trip	1.14Å	1.14Å
C11	C6	sing	1.43Å	1.44Å
C6	C1	doub	1.40Å	1.38Å	Aromatic
C6	C5	sing	1.40Å	1.38Å	Aromatic
C1	C2	sing	1.38Å	1.38Å	Aromatic
C5	C4	doub	1.38Å	1.38Å	Aromatic
C2	C3	doub	1.38Å	1.38Å	Aromatic
C3	C4	sing	1.38Å	1.39Å	Aromatic
C4	C7	sing	1.51Å	1.51Å
C15	C13	sing	1.53Å	1.52Å
C12	C10	doub	1.31Å	1.30Å
C12	C13	sing	1.51Å	1.52Å
C7	C8	sing	1.51Å	1.51Å
C10	C8	doub	1.31Å	1.31Å
C13	C16	sing	1.53Å	1.53Å
C13	C14	sing	1.53Å	1.53Å
C8	C9	sing	1.40Å	1.38Å
C9	O1	doub	1.22Å	1.23Å
C9	N1	sing	1.35Å	1.33Å
N1	H7	sing	0.97Å	1.00Å
N1	H8	sing	0.97Å	1.00Å
C5	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C15	H13	sing	1.09Å	1.10Å
C15	H14	sing	1.09Å	1.10Å
C15	H15	sing	1.09Å	1.10Å
C1	H1	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C14	H12	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.09Å	1.10Å
C16	H17	sing	1.09Å	1.10Å
C16	H18	sing	1.09Å	1.10Å
C16	H16	sing	1.09Å	1.10Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C11	C6	177.0°	180.0°
C11	C6	C1	120.8°	120.1°
C11	C6	C5	118.8°	120.2°
C1	C6	C5	120.4°	119.7°
C6	C1	C2	119.0°	119.8°
C6	C1	H1	120.5°	120.1°
C6	C5	C4	120.9°	119.9°
C6	C5	H4	119.6°	120.1°
C1	C2	C3	120.4°	120.2°
C2	C1	H1	120.5°	120.0°
C1	C2	H2	119.8°	119.9°
C5	C4	C3	118.3°	120.1°
C5	C4	C7	119.6°	120.0°
C4	C5	H4	119.5°	120.1°
C2	C3	C4	120.9°	120.3°
C3	C2	H2	119.8°	119.9°
C2	C3	H3	119.6°	119.9°
C3	C4	C7	122.1°	119.9°
C4	C3	H3	119.5°	119.8°
C4	C7	C8	111.6°	109.5°
C4	C7	H5	108.9°	109.5°
C4	C7	H6	108.9°	109.4°
C15	C13	C12	109.8°	109.5°
C15	C13	C16	109.3°	109.5°
C15	C13	C14	108.4°	109.5°
C13	C15	H13	109.5°	109.5°
C13	C15	H14	109.5°	109.4°
C13	C15	H15	109.5°	109.4°
C10	C12	C13	125.4°	120.0°
C12	C10	C8	175.0°	180.0°
C10	C12	H9	117.3°	120.0°
C12	C13	C16	109.6°	109.5°
C12	C13	C14	110.7°	109.5°
C13	C12	H9	117.3°	120.0°
C7	C8	C10	119.6°	120.0°
C7	C8	C9	119.9°	120.0°
C8	C7	H5	108.9°	109.5°
C8	C7	H6	108.9°	109.4°
C10	C8	C9	120.5°	120.0°
C16	C13	C14	109.1°	109.4°
C13	C16	H17	109.5°	109.5°
C13	C16	H18	109.5°	109.4°
C13	C16	H16	109.5°	109.5°
C13	C14	H12	109.5°	109.5°
C13	C14	H10	109.5°	109.4°
C13	C14	H11	109.5°	109.5°
C8	C9	O1	119.3°	120.0°
C8	C9	N1	118.8°	120.0°
O1	C9	N1	121.8°	120.0°
C9	N1	H7	120.0°	120.0°
C9	N1	H8	120.0°	120.0°
H7	N1	H8	120.0°	120.0°
H5	C7	H6	109.5°	109.5°
H13	C15	H14	109.4°	109.5°
H13	C15	H15	109.5°	109.5°
H14	C15	H15	109.5°	109.4°
H12	C14	H10	109.5°	109.5°
H12	C14	H11	109.5°	109.5°
H10	C14	H11	109.4°	109.4°
H17	C16	H18	109.4°	109.4°
H17	C16	H16	109.5°	109.5°
H18	C16	H16	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C11	C6	C1	129.7°	166.4°
N2	C11	C6	C5	49.0°	13.6°
C11	C6	C1	C5	178.6°	180.0°
C11	C6	C1	C2	178.9°	180.0°
C11	C6	C5	C4	179.0°	180.0°
C11	C6	C5	H4	1.0°	0.0°
C11	C6	C1	H1	1.1°	0.0°
C6	C1	C2	H1	180.0°	180.0°
C1	C6	C5	C4	0.3°	0.0°
C6	C1	C2	C3	0.3°	0.3°
C1	C6	C5	H4	179.7°	180.0°
C6	C1	C2	H2	179.7°	180.0°
C5	C6	C1	C2	0.3°	0.0°
C6	C5	C4	H4	180.0°	180.0°
C6	C5	C4	C3	0.4°	0.3°
C6	C5	C4	C7	179.8°	180.0°
C5	C6	C1	H1	179.7°	180.0°
C1	C2	C3	H2	180.0°	179.7°
C1	C2	C3	C4	0.3°	0.6°
C1	C2	C3	H3	179.7°	180.0°
C5	C4	C3	C2	0.4°	0.6°
C5	C4	C3	C7	179.4°	179.7°
C5	C4	C7	C8	77.2°	89.9°
C5	C4	C7	H5	162.5°	150.0°
C5	C4	C7	H6	43.1°	30.0°
C5	C4	C3	H3	179.6°	180.0°
C2	C3	C4	H3	180.0°	179.5°
C2	C3	C4	C7	179.8°	179.7°
C3	C2	C1	H1	179.7°	179.7°
C3	C4	C7	C8	102.2°	89.8°
C3	C4	C5	H4	179.6°	179.7°
C3	C4	C7	H5	18.1°	30.3°
C3	C4	C7	H6	137.5°	150.3°
C4	C3	C2	H2	179.7°	179.7°
C4	C7	C8	H5	120.3°	120.1°
C4	C7	C8	H6	120.3°	119.9°
C4	C7	C8	C10	11.1°	95.0°
C4	C7	C8	C9	167.3°	85.0°
C7	C4	C5	H4	0.2°	0.0°
C4	C7	H5	H6	119.0°	120.0°
C7	C4	C3	H3	0.2°	0.3°
C15	C13	C12	C10	135.2°	120.0°
C15	C13	C12	C16	120.1°	120.0°
C15	C13	C12	C14	119.6°	120.0°
C15	C13	C16	C14	118.4°	120.0°
C13	C15	H13	H14	120.0°	120.0°
C13	C15	H13	H15	120.0°	120.0°
C13	C15	H14	H15	120.0°	119.9°
C15	C13	C12	H9	44.8°	60.0°
C15	C13	C14	H12	180.0°	180.0°
C15	C13	C14	H10	60.0°	60.0°
C15	C13	C14	H11	60.0°	59.9°
C15	C13	C16	H17	180.0°	59.9°
C15	C13	C16	H18	60.0°	60.0°
C15	C13	C16	H16	60.0°	180.0°
C10	C12	C13	H9	180.0°	180.0°
C12	C10	C8	C7	107.5°	148.0°
C10	C12	C13	C16	104.8°	0.0°
C10	C12	C13	C14	15.6°	120.0°
C12	C10	C8	C9	70.9°	32.0°
C13	C12	C10	C8	3.0°	122.0°
C12	C13	C16	C14	121.3°	120.0°
C12	C13	C15	H13	180.0°	180.0°
C12	C13	C15	H14	60.0°	60.0°
C12	C13	C15	H15	60.0°	59.9°
C12	C13	C14	H12	59.6°	59.9°
C12	C13	C14	H10	179.6°	60.0°
C12	C13	C14	H11	60.4°	180.0°
C12	C13	C16	H17	59.7°	180.0°
C12	C13	C16	H18	60.3°	60.0°
C12	C13	C16	H16	179.7°	59.9°
C7	C8	C10	C9	178.4°	180.0°
C7	C8	C9	O1	10.4°	0.0°
C7	C8	C9	N1	170.4°	180.0°
C8	C7	H5	H6	119.0°	120.0°
C10	C8	C9	O1	171.2°	180.0°
C10	C8	C9	N1	8.1°	0.1°
C10	C8	C7	H5	131.4°	25.1°
C10	C8	C7	H6	109.2°	145.0°
C8	C10	C12	H9	177.0°	58.0°
C16	C13	C15	H13	59.8°	60.0°
C16	C13	C15	H14	60.2°	180.0°
C16	C13	C15	H15	179.8°	60.1°
C16	C13	C12	H9	75.2°	179.9°
C16	C13	C14	H12	61.0°	60.0°
C16	C13	C14	H10	59.0°	180.0°
C16	C13	C14	H11	179.0°	60.1°
C13	C16	H17	H18	120.0°	120.0°
C13	C16	H17	H16	120.0°	120.1°
C13	C16	H18	H16	120.0°	120.0°
C14	C13	C15	H13	59.0°	60.0°
C14	C13	C15	H14	179.0°	60.1°
C14	C13	C15	H15	61.0°	180.0°
C14	C13	C12	H9	164.4°	60.0°
C13	C14	H12	H10	120.0°	119.9°
C13	C14	H12	H11	120.0°	120.1°
C13	C14	H10	H11	120.0°	120.0°
C14	C13	C16	H17	61.6°	60.0°
C14	C13	C16	H18	178.4°	180.0°
C14	C13	C16	H16	58.4°	60.0°
C8	C9	O1	N1	179.3°	179.9°
C8	C9	N1	H7	179.3°	0.1°
C8	C9	N1	H8	0.7°	179.8°
C9	C8	C7	H5	47.0°	154.9°
C9	C8	C7	H6	72.3°	34.9°
O1	C9	N1	H7	0.0°	180.0°
O1	C9	N1	H8	180.0°	0.3°
C9	N1	H7	H8	180.0°	179.7°
H13	C15	H14	H15	120.0°	120.1°
H1	C1	C2	H2	0.3°	0.0°
H12	C14	H10	H11	120.0°	120.1°
H17	C16	H18	H16	120.0°	120.0°
H2	C2	C3	H3	0.3°	0.3°

Release date:	2025-07-30
Definition date:	2024-07-31
Last modified:	2025-07-25
Release status:	REL
Processing site:	PDBC
Derived from:	9IWU