A1EM9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	N3	sing	1.47Å	0.00Å
C11	C10	sing	1.51Å	0.00Å
C12	C10	doub	1.38Å	0.00Å	Aromatic
C12	C13	sing	1.38Å	0.00Å	Aromatic
C10	C9	sing	1.38Å	0.00Å	Aromatic
C13	C7	doub	1.39Å	0.00Å	Aromatic
C9	C8	doub	1.38Å	0.00Å	Aromatic
C7	C8	sing	1.39Å	0.00Å	Aromatic
C7	N2	sing	1.40Å	0.00Å
N2	C4	sing	1.48Å	0.00Å
N2	C5	sing	1.45Å	0.00Å
C4	C3	sing	1.54Å	0.00Å
C5	C6	sing	1.54Å	0.00Å
C3	C2	sing	1.51Å	0.00Å
C6	N1	sing	1.40Å	0.00Å
C2	N1	sing	1.48Å	0.00Å
N1	C1	sing	1.47Å	0.00Å
N3	H2	sing	1.01Å	0.00Å
N3	H3	sing	1.01Å	0.00Å
C4	H5	sing	1.09Å	0.00Å
C4	H6	sing	1.09Å	0.00Å
C5	H7	sing	1.09Å	0.00Å
C5	H8	sing	1.09Å	0.00Å
C6	H9	sing	1.09Å	0.00Å
C6	H10	sing	1.09Å	0.00Å
C8	H11	sing	1.08Å	0.00Å
C13	H12	sing	1.08Å	0.00Å
C1	H13	sing	1.09Å	0.00Å
C1	H14	sing	1.09Å	0.00Å
C1	H15	sing	1.09Å	0.00Å
C11	H16	sing	1.09Å	0.00Å
C11	H17	sing	1.09Å	0.00Å
C12	H18	sing	1.08Å	0.00Å
C2	H19	sing	1.09Å	0.00Å
C2	H20	sing	1.09Å	0.00Å
C3	H21	sing	1.09Å	0.00Å
C3	H22	sing	1.09Å	0.00Å
C9	H23	sing	1.08Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N3	C11	C10	90.0°	109.5°
C11	N3	H2	90.0°	111.0°
C11	N3	H3	90.0°	111.0°
N3	C11	H16	90.0°	109.5°
N3	C11	H17	90.0°	109.4°
C11	C10	C12	90.0°	119.9°
C11	C10	C9	90.0°	119.9°
C10	C11	H16	90.0°	109.5°
C10	C11	H17	90.0°	109.5°
C10	C12	C13	90.0°	120.0°
C12	C10	C9	90.0°	120.2°
C10	C12	H18	90.0°	120.0°
C12	C13	C7	90.0°	119.9°
C12	C13	H12	90.0°	120.0°
C13	C12	H18	90.0°	120.0°
C10	C9	C8	90.0°	120.0°
C10	C9	H23	90.0°	120.0°
C13	C7	C8	90.0°	119.9°
C13	C7	N2	90.0°	120.0°
C7	C13	H12	90.0°	120.1°
C9	C8	C7	90.0°	119.9°
C9	C8	H11	90.0°	120.0°
C8	C9	H23	90.0°	120.0°
C8	C7	N2	90.0°	120.1°
C7	C8	H11	90.0°	120.1°
C7	N2	C4	90.0°	111.0°
C7	N2	C5	90.0°	111.0°
C4	N2	C5	90.0°	113.9°
N2	C4	C3	90.0°	112.4°
N2	C4	H5	90.0°	108.9°
N2	C4	H6	90.0°	108.8°
N2	C5	C6	90.0°	108.9°
N2	C5	H7	90.0°	109.5°
N2	C5	H8	90.0°	109.7°
C4	C3	C2	90.0°	112.1°
C3	C4	H5	90.0°	108.9°
C3	C4	H6	90.0°	108.9°
C4	C3	H21	90.0°	108.9°
C4	C3	H22	90.0°	108.9°
C5	C6	N1	90.0°	112.1°
C6	C5	H7	90.0°	109.6°
C6	C5	H8	90.0°	109.6°
C5	C6	H9	90.0°	109.0°
C5	C6	H10	90.0°	109.0°
C3	C2	N1	90.0°	108.5°
C3	C2	H19	90.0°	109.6°
C3	C2	H20	90.0°	109.8°
C2	C3	H21	90.0°	109.0°
C2	C3	H22	90.0°	108.9°
C6	N1	C2	90.0°	114.1°
C6	N1	C1	90.0°	111.0°
N1	C6	H9	90.0°	108.9°
N1	C6	H10	90.0°	108.9°
C2	N1	C1	90.0°	111.0°
N1	C2	H19	90.0°	109.6°
N1	C2	H20	90.0°	109.6°
N1	C1	H13	90.0°	109.5°
N1	C1	H14	90.0°	109.4°
N1	C1	H15	90.0°	109.5°
H2	N3	H3	90.0°	111.1°
H5	C4	H6	90.0°	108.9°
H7	C5	H8	90.0°	109.6°
H9	C6	H10	90.0°	108.8°
H13	C1	H14	90.0°	109.5°
H13	C1	H15	90.0°	109.5°
H14	C1	H15	90.0°	109.4°
H16	C11	H17	90.0°	109.5°
H19	C2	H20	90.0°	109.6°
H21	C3	H22	90.0°	108.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N3	C11	C10	H16	90.0°	120.0°
N3	C11	C10	H17	90.0°	119.9°
N3	C11	C10	C12	90.0°	90.4°
N3	C11	C10	C9	90.0°	90.0°
C11	N3	H2	H3	90.0°	124.0°
N3	C11	H16	H17	90.0°	119.9°
C11	C10	C12	C9	90.0°	179.5°
C11	C10	C12	C13	90.0°	179.8°
C11	C10	C9	C8	90.0°	180.0°
C10	C11	N3	H2	90.0°	56.0°
C10	C11	N3	H3	90.0°	180.0°
C10	C11	H16	H17	90.0°	120.0°
C11	C10	C12	H18	90.0°	0.4°
C11	C10	C9	H23	90.0°	0.5°
C10	C12	C13	H18	90.0°	179.8°
C10	C12	C13	C7	90.0°	0.0°
C12	C10	C9	C8	90.0°	0.5°
C10	C12	C13	H12	90.0°	180.0°
C12	C10	C11	H16	90.0°	149.5°
C12	C10	C11	H17	90.0°	29.5°
C12	C10	C9	H23	90.0°	180.0°
C13	C12	C10	C9	90.0°	0.3°
C12	C13	C7	H12	90.0°	180.0°
C12	C13	C7	C8	90.0°	0.0°
C12	C13	C7	N2	90.0°	179.7°
C10	C9	C8	H23	90.0°	179.5°
C10	C9	C8	C7	90.0°	0.5°
C10	C9	C8	H11	90.0°	179.4°
C9	C10	C11	H16	90.0°	30.0°
C9	C10	C11	H17	90.0°	150.0°
C9	C10	C12	H18	90.0°	179.9°
C13	C7	C8	C9	90.0°	0.3°
C13	C7	C8	N2	90.0°	179.7°
C13	C7	N2	C4	90.0°	0.3°
C13	C7	N2	C5	90.0°	128.0°
C13	C7	C8	H11	90.0°	179.7°
C7	C13	C12	H18	90.0°	179.8°
C9	C8	C7	H11	90.0°	180.0°
C9	C8	C7	N2	90.0°	180.0°
C8	C7	N2	C4	90.0°	180.0°
C8	C7	N2	C5	90.0°	52.3°
C8	C7	C13	H12	90.0°	180.0°
C7	C8	C9	H23	90.0°	180.0°
C7	N2	C4	C5	90.0°	126.2°
C7	N2	C4	C3	90.0°	167.8°
C7	N2	C5	C6	90.0°	139.6°
C7	N2	C4	H5	90.0°	71.4°
C7	N2	C4	H6	90.0°	47.1°
C7	N2	C5	H7	90.0°	100.6°
C7	N2	C5	H8	90.0°	19.7°
N2	C7	C8	H11	90.0°	0.0°
N2	C7	C13	H12	90.0°	0.3°
N2	C4	C3	H5	90.0°	120.8°
N2	C4	C3	H6	90.0°	120.6°
C4	N2	C5	C6	90.0°	94.2°
N2	C4	C3	C2	90.0°	41.5°
N2	C4	H5	H6	90.0°	118.5°
C4	N2	C5	H7	90.0°	25.6°
C4	N2	C5	H8	90.0°	145.9°
N2	C4	C3	H21	90.0°	79.3°
N2	C4	C3	H22	90.0°	162.1°
C5	N2	C4	C3	90.0°	41.6°
N2	C5	C6	H7	90.0°	119.8°
N2	C5	C6	H8	90.0°	119.9°
N2	C5	C6	N1	90.0°	78.8°
C5	N2	C4	H5	90.0°	162.4°
C5	N2	C4	H6	90.0°	79.0°
N2	C5	H7	H8	90.0°	120.4°
N2	C5	C6	H9	90.0°	160.5°
N2	C5	C6	H10	90.0°	41.9°
C4	C3	C2	H21	90.0°	120.7°
C4	C3	C2	H22	90.0°	120.6°
C4	C3	C2	N1	90.0°	92.6°
C3	C4	H5	H6	90.0°	118.6°
C4	C3	C2	H19	90.0°	27.1°
C4	C3	C2	H20	90.0°	147.6°
C4	C3	H21	H22	90.0°	118.6°
C5	C6	N1	H9	90.0°	120.7°
C5	C6	N1	H10	90.0°	120.7°
C5	C6	N1	C2	90.0°	61.8°
C5	C6	N1	C1	90.0°	171.9°
C6	C5	H7	H8	90.0°	120.3°
C5	C6	H9	H10	90.0°	118.7°
C3	C2	N1	C6	90.0°	79.9°
C3	C2	N1	H19	90.0°	119.7°
C3	C2	N1	H20	90.0°	119.9°
C3	C2	N1	C1	90.0°	153.8°
C2	C3	C4	H5	90.0°	79.3°
C2	C3	C4	H6	90.0°	162.1°
C3	C2	H19	H20	90.0°	120.7°
C2	C3	H21	H22	90.0°	118.7°
C6	N1	C2	C1	90.0°	126.3°
N1	C6	C5	H7	90.0°	41.0°
N1	C6	C5	H8	90.0°	161.3°
N1	C6	H9	H10	90.0°	118.6°
C6	N1	C1	H13	90.0°	56.0°
C6	N1	C1	H14	90.0°	176.0°
C6	N1	C1	H15	90.0°	64.0°
C6	N1	C2	H19	90.0°	39.8°
C6	N1	C2	H20	90.0°	160.2°
C2	N1	C6	H9	90.0°	177.5°
C2	N1	C6	H10	90.0°	58.9°
C2	N1	C1	H13	90.0°	176.0°
C2	N1	C1	H14	90.0°	56.0°
C2	N1	C1	H15	90.0°	64.0°
N1	C2	H19	H20	90.0°	120.4°
N1	C2	C3	H21	90.0°	28.2°
N1	C2	C3	H22	90.0°	146.8°
C1	N1	C6	H9	90.0°	51.2°
C1	N1	C6	H10	90.0°	67.4°
N1	C1	H13	H14	90.0°	120.0°
N1	C1	H13	H15	90.0°	120.0°
N1	C1	H14	H15	90.0°	119.9°
C1	N1	C2	H19	90.0°	86.5°
C1	N1	C2	H20	90.0°	33.9°
H2	N3	C11	H16	90.0°	176.0°
H2	N3	C11	H17	90.0°	64.0°
H3	N3	C11	H16	90.0°	60.0°
H3	N3	C11	H17	90.0°	60.0°
H5	C4	C3	H21	90.0°	160.0°
H5	C4	C3	H22	90.0°	41.4°
H6	C4	C3	H21	90.0°	41.3°
H6	C4	C3	H22	90.0°	77.3°
H7	C5	C6	H9	90.0°	79.7°
H7	C5	C6	H10	90.0°	161.7°
H8	C5	C6	H9	90.0°	40.6°
H8	C5	C6	H10	90.0°	78.1°
H11	C8	C9	H23	90.0°	0.0°
H12	C13	C12	H18	90.0°	0.2°
H13	C1	H14	H15	90.0°	120.0°
H19	C2	C3	H21	90.0°	147.8°
H19	C2	C3	H22	90.0°	93.5°
H20	C2	C3	H21	90.0°	91.6°
H20	C2	C3	H22	90.0°	27.0°

Release date:	2026-02-18
Definition date:	2025-03-18
Last modified:	2026-02-13
Release status:	REL
Processing site:	PDBC