A1ETG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.50Å
C2	C15	sing	1.51Å	1.50Å
C2	C3	doub	1.31Å	1.33Å
C3	C4	sing	1.51Å	1.50Å
C4	C5	sing	1.53Å	1.54Å
C13	C12	doub	1.33Å	1.31Å
C5	C6	sing	1.51Å	1.51Å
C12	C10	sing	1.47Å	1.46Å
C6	C14	sing	1.51Å	1.50Å
C6	C7	doub	1.31Å	1.33Å
C7	C8	sing	1.51Å	1.50Å
C10	C11	doub	1.33Å	1.33Å
C10	C9	sing	1.51Å	1.51Å
C9	C8	sing	1.53Å	1.54Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C11	H4	sing	1.08Å	1.08Å
C11	H5	sing	1.08Å	1.08Å
C12	H6	sing	1.08Å	1.08Å
C13	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.09Å	1.10Å
C15	H12	sing	1.09Å	1.10Å
C15	H13	sing	1.09Å	1.10Å
C15	H14	sing	1.09Å	1.10Å
C3	H15	sing	1.08Å	1.08Å
C4	H16	sing	1.09Å	1.10Å
C4	H17	sing	1.09Å	1.10Å
C5	H18	sing	1.09Å	1.10Å
C5	H19	sing	1.09Å	1.10Å
C7	H20	sing	1.08Å	1.08Å
C8	H21	sing	1.09Å	1.10Å
C8	H22	sing	1.09Å	1.10Å
C9	H23	sing	1.09Å	1.10Å
C9	H24	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C15	114.6°	120.0°
C1	C2	C3	122.9°	120.0°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.4°
C15	C2	C3	122.5°	120.0°
C2	C15	H12	109.5°	109.5°
C2	C15	H13	109.5°	109.5°
C2	C15	H14	109.5°	109.5°
C2	C3	C4	128.1°	120.0°
C2	C3	H15	115.9°	120.0°
C3	C4	C5	112.1°	109.5°
C4	C3	H15	116.0°	120.0°
C3	C4	H16	108.8°	109.5°
C3	C4	H17	108.8°	109.5°
C4	C5	C6	114.1°	109.4°
C5	C4	H16	108.8°	109.5°
C5	C4	H17	108.8°	109.5°
C4	C5	H18	108.3°	109.4°
C4	C5	H19	108.3°	109.4°
C13	C12	C10	126.4°	119.9°
C13	C12	H6	116.8°	120.0°
C12	C13	H7	120.0°	120.0°
C12	C13	H8	120.0°	120.0°
C5	C6	C14	115.4°	120.0°
C5	C6	C7	121.1°	120.0°
C6	C5	H18	108.3°	109.5°
C6	C5	H19	108.3°	109.5°
C12	C10	C11	119.9°	120.0°
C12	C10	C9	117.7°	120.1°
C10	C12	H6	116.8°	120.0°
C14	C6	C7	123.6°	120.0°
C6	C14	H9	109.5°	109.5°
C6	C14	H10	109.5°	109.5°
C6	C14	H11	109.5°	109.5°
C6	C7	C8	127.8°	120.0°
C6	C7	H20	116.1°	120.0°
C7	C8	C9	112.3°	109.5°
C8	C7	H20	116.1°	120.0°
C7	C8	H21	108.7°	109.5°
C7	C8	H22	108.8°	109.5°
C11	C10	C9	122.4°	120.0°
C10	C11	H4	120.0°	120.0°
C10	C11	H5	120.0°	120.0°
C10	C9	C8	112.4°	109.5°
C10	C9	H23	108.7°	109.5°
C10	C9	H24	108.7°	109.5°
C9	C8	H21	108.8°	109.4°
C9	C8	H22	108.8°	109.5°
C8	C9	H23	108.7°	109.4°
C8	C9	H24	108.7°	109.5°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.4°
H4	C11	H5	120.0°	120.0°
H7	C13	H8	120.0°	120.0°
H9	C14	H10	109.4°	109.5°
H9	C14	H11	109.5°	109.4°
H10	C14	H11	109.5°	109.5°
H12	C15	H13	109.4°	109.5°
H12	C15	H14	109.5°	109.4°
H13	C15	H14	109.4°	109.5°
H16	C4	H17	109.5°	109.4°
H18	C5	H19	109.5°	109.5°
H21	C8	H22	109.5°	109.4°
H23	C9	H24	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C15	C3	179.9°	180.0°
C1	C2	C3	C4	179.9°	5.1°
C2	C1	H1	H2	120.0°	120.1°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	119.9°
C1	C2	C15	H12	180.0°	90.0°
C1	C2	C15	H13	60.0°	149.9°
C1	C2	C15	H14	60.0°	30.0°
C1	C2	C3	H15	0.1°	174.9°
C15	C2	C3	C4	0.0°	174.9°
C15	C2	C1	H1	180.0°	5.3°
C15	C2	C1	H2	60.0°	114.8°
C15	C2	C1	H3	60.0°	125.3°
C2	C15	H12	H13	120.0°	120.1°
C2	C15	H12	H14	120.0°	120.0°
C2	C15	H13	H14	120.0°	120.0°
C15	C2	C3	H15	180.0°	5.1°
C2	C3	C4	H15	180.0°	180.0°
C2	C3	C4	C5	86.0°	125.2°
C3	C2	C1	H1	0.1°	174.7°
C3	C2	C1	H2	119.8°	65.2°
C3	C2	C1	H3	120.2°	54.7°
C3	C2	C15	H12	0.2°	90.0°
C3	C2	C15	H13	120.2°	30.0°
C3	C2	C15	H14	119.9°	150.0°
C2	C3	C4	H16	153.5°	114.7°
C2	C3	C4	H17	34.3°	5.2°
C3	C4	C5	H16	120.4°	120.0°
C3	C4	C5	H17	120.4°	120.0°
C3	C4	C5	C6	126.7°	180.0°
C3	C4	H16	H17	118.8°	120.0°
C3	C4	C5	H18	112.6°	60.0°
C3	C4	C5	H19	6.0°	60.0°
C4	C5	C6	H18	120.7°	120.0°
C4	C5	C6	H19	120.7°	120.0°
C4	C5	C6	C14	107.4°	85.0°
C4	C5	C6	C7	73.1°	95.1°
C5	C4	C3	H15	94.0°	54.8°
C5	C4	H16	H17	118.8°	120.0°
C4	C5	H18	H19	117.9°	120.0°
C13	C12	C10	H6	180.0°	180.0°
C13	C12	C10	C11	144.0°	180.0°
C13	C12	C10	C9	35.7°	0.0°
C12	C13	H7	H8	180.0°	180.0°
C5	C6	C14	C7	179.6°	179.9°
C5	C6	C7	C8	178.8°	174.4°
C5	C6	C14	H9	180.0°	0.6°
C5	C6	C14	H10	60.0°	119.4°
C5	C6	C14	H11	60.0°	120.6°
C6	C5	C4	H16	6.3°	60.0°
C6	C5	C4	H17	113.0°	60.0°
C6	C5	H18	H19	117.9°	120.1°
C5	C6	C7	H20	1.2°	5.6°
C12	C10	C11	C9	179.7°	180.0°
C12	C10	C9	C8	65.2°	85.0°
C12	C10	C11	H4	179.7°	0.0°
C12	C10	C11	H5	0.3°	180.0°
C10	C12	C13	H7	180.0°	0.0°
C10	C12	C13	H8	0.0°	180.0°
C12	C10	C9	H23	174.3°	35.0°
C12	C10	C9	H24	55.2°	155.0°
C14	C6	C7	C8	1.6°	5.7°
C6	C14	H9	H10	120.0°	120.0°
C6	C14	H9	H11	120.0°	120.0°
C6	C14	H10	H11	120.0°	120.0°
C14	C6	C5	H18	132.0°	155.0°
C14	C6	C5	H19	13.3°	34.9°
C14	C6	C7	H20	178.3°	174.3°
C6	C7	C8	H20	180.0°	180.0°
C6	C7	C8	C9	132.9°	125.2°
C7	C6	C14	H9	0.4°	179.3°
C7	C6	C14	H10	119.6°	60.7°
C7	C6	C14	H11	120.4°	59.3°
C7	C6	C5	H18	47.6°	24.9°
C7	C6	C5	H19	166.3°	145.0°
C6	C7	C8	H21	106.7°	114.8°
C6	C7	C8	H22	12.5°	5.2°
C7	C8	C9	C10	97.2°	180.0°
C7	C8	C9	H21	120.4°	120.0°
C7	C8	C9	H22	120.4°	120.1°
C7	C8	H21	H22	118.7°	120.0°
C7	C8	C9	H23	142.4°	59.9°
C7	C8	C9	H24	23.2°	60.0°
C11	C10	C9	C8	115.1°	95.0°
C10	C11	H4	H5	180.0°	180.0°
C11	C10	C12	H6	36.0°	0.0°
C11	C10	C9	H23	5.4°	145.0°
C11	C10	C9	H24	124.5°	25.1°
C10	C9	C8	H23	120.4°	120.0°
C10	C9	C8	H24	120.4°	120.1°
C9	C10	C11	H4	0.0°	180.0°
C9	C10	C11	H5	180.0°	0.1°
C9	C10	C12	H6	144.3°	180.0°
C10	C9	C8	H21	142.4°	60.0°
C10	C9	C8	H22	23.2°	60.0°
C10	C9	H23	H24	118.6°	120.0°
C9	C8	C7	H20	47.1°	54.8°
C9	C8	H21	H22	118.7°	120.0°
C8	C9	H23	H24	118.6°	119.9°
H1	C1	H2	H3	120.0°	120.0°
H6	C12	C13	H7	0.0°	180.0°
H6	C12	C13	H8	180.0°	0.0°
H9	C14	H10	H11	120.0°	120.0°
H12	C15	H13	H14	120.0°	120.0°
H15	C3	C4	H16	26.4°	65.3°
H15	C3	C4	H17	145.7°	174.8°
H16	C4	C5	H18	127.0°	180.0°
H16	C4	C5	H19	114.4°	60.0°
H17	C4	C5	H18	7.7°	60.0°
H17	C4	C5	H19	126.4°	179.9°
H20	C7	C8	H21	73.3°	65.2°
H20	C7	C8	H22	167.5°	174.8°
H21	C8	C9	H23	22.0°	60.1°
H21	C8	C9	H24	97.1°	180.0°
H22	C8	C9	H23	97.2°	180.0°
H22	C8	C9	H24	143.7°	60.1°

Release date:	2026-07-15
Definition date:	2025-07-10
Last modified:	2026-07-10
Release status:	REL
Processing site:	PDBC
Derived from:	9VSI