A1IUA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C10	sing	1.53Å	1.52Å
C9	C8	sing	1.50Å	1.51Å
C10	C11	sing	1.53Å	1.54Å
C8	C7	doub	1.29Å	1.33Å
C11	C13	sing	1.53Å	1.55Å
C11	C12	sing	1.53Å	1.54Å
C11	C6	sing	1.53Å	1.57Å
O5	C4	doub	1.21Å	1.24Å
C7	C6	sing	1.50Å	1.52Å
C7	C14	sing	1.51Å	1.50Å
C6	C4	sing	1.51Å	1.54Å
C4	C3	sing	1.46Å	1.56Å
C3	C2	doub	1.33Å	1.36Å
C2	C1	sing	1.51Å	1.59Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.08Å	1.08Å
C3	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.08Å	1.08Å
C9	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C13	H15	sing	1.09Å	1.10Å
C13	H16	sing	1.09Å	1.10Å
C13	H17	sing	1.09Å	1.10Å
C14	H18	sing	1.09Å	1.10Å
C14	H19	sing	1.09Å	1.10Å
C14	H20	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C9	C8	109.5°	110.1°
C9	C10	C11	112.2°	108.4°
C10	C9	H8	109.5°	109.3°
C10	C9	H9	109.4°	109.4°
C9	C10	H10	108.8°	109.7°
C9	C10	H11	108.8°	109.7°
C9	C8	C7	124.8°	124.1°
C9	C8	H7	117.6°	117.9°
C8	C9	H8	109.5°	109.3°
C8	C9	H9	109.5°	109.4°
C10	C11	C13	108.6°	109.6°
C10	C11	C12	109.5°	109.7°
C10	C11	C6	110.3°	108.5°
C11	C10	H10	108.8°	109.6°
C11	C10	H11	108.8°	109.7°
C8	C7	C6	122.0°	124.0°
C8	C7	C14	122.1°	118.0°
C7	C8	H7	117.6°	117.9°
C13	C11	C12	109.3°	109.6°
C13	C11	C6	110.4°	109.7°
C11	C13	H15	109.5°	109.5°
C11	C13	H16	109.5°	109.5°
C11	C13	H17	109.4°	109.4°
C12	C11	C6	108.8°	109.7°
C11	C12	H12	109.5°	109.5°
C11	C12	H13	109.5°	109.5°
C11	C12	H14	109.5°	109.5°
C11	C6	C7	113.1°	110.1°
C11	C6	C4	112.9°	109.4°
C11	C6	H6	105.0°	109.3°
O5	C4	C6	121.8°	120.0°
O5	C4	C3	122.1°	120.0°
C6	C7	C14	115.9°	117.9°
C7	C6	C4	113.9°	109.3°
C7	C6	H6	105.5°	109.3°
C7	C14	H18	109.5°	109.4°
C7	C14	H19	109.4°	109.4°
C7	C14	H20	109.4°	109.5°
C6	C4	C3	115.8°	120.0°
C4	C6	H6	105.3°	109.3°
C4	C3	C2	120.0°	120.0°
C4	C3	H5	120.0°	120.0°
C3	C2	C1	126.5°	120.0°
C3	C2	H4	116.7°	120.0°
C2	C3	H5	120.0°	120.0°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.5°	109.4°
C2	C1	H3	109.5°	109.5°
C1	C2	H4	116.8°	120.0°
H1	C1	H2	109.4°	109.5°
H1	C1	H3	109.4°	109.5°
H2	C1	H3	109.5°	109.5°
H8	C9	H9	109.4°	109.2°
H10	C10	H11	109.5°	109.7°
H12	C12	H13	109.5°	109.4°
H12	C12	H14	109.5°	109.5°
H13	C12	H14	109.5°	109.5°
H15	C13	H16	109.5°	109.5°
H15	C13	H17	109.5°	109.4°
H16	C13	H17	109.5°	109.4°
H18	C14	H19	109.5°	109.5°
H18	C14	H20	109.5°	109.5°
H19	C14	H20	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C9	C8	H8	120.0°	120.2°
C10	C9	C8	H9	120.0°	120.2°
C9	C10	C11	H10	120.4°	119.7°
C9	C10	C11	H11	120.4°	119.7°
C10	C9	C8	C7	29.9°	17.1°
C9	C10	C11	C13	179.5°	52.3°
C9	C10	C11	C12	61.3°	172.7°
C9	C10	C11	C6	58.4°	67.6°
C10	C9	C8	H7	150.0°	162.9°
C10	C9	H8	H9	120.0°	119.7°
C9	C10	H10	H11	118.8°	120.6°
C8	C9	C10	C11	51.4°	49.4°
C9	C8	C7	H7	180.0°	180.0°
C9	C8	C7	C6	14.1°	0.5°
C9	C8	C7	C14	162.5°	179.6°
C8	C9	H8	H9	120.0°	119.7°
C8	C9	C10	H10	69.0°	169.1°
C8	C9	C10	H11	171.8°	70.3°
C10	C11	C13	C12	119.4°	120.5°
C10	C11	C13	C6	121.0°	119.1°
C10	C11	C12	C6	120.5°	119.1°
C10	C11	C6	C7	39.8°	49.6°
C10	C11	C6	C4	91.4°	169.7°
C10	C11	C6	H6	154.4°	70.5°
C11	C10	C9	H8	68.6°	70.8°
C11	C10	C9	H9	171.5°	169.7°
C11	C10	H10	H11	118.7°	120.5°
C10	C11	C12	H12	180.0°	60.0°
C10	C11	C12	H13	60.0°	180.0°
C10	C11	C12	H14	60.0°	60.0°
C10	C11	C13	H15	180.0°	53.6°
C10	C11	C13	H16	60.0°	173.6°
C10	C11	C13	H17	60.0°	66.4°
C8	C7	C6	C11	18.7°	17.2°
C8	C7	C6	C14	176.9°	180.0°
C8	C7	C6	C4	112.0°	137.4°
C8	C7	C6	H6	133.0°	102.9°
C7	C8	C9	H8	90.1°	103.1°
C7	C8	C9	H9	149.9°	137.3°
C8	C7	C14	H18	180.0°	89.9°
C8	C7	C14	H19	60.0°	30.0°
C8	C7	C14	H20	60.0°	150.1°
C13	C11	C12	C6	120.6°	120.5°
C13	C11	C6	C7	159.8°	70.2°
C13	C11	C6	C4	28.6°	50.0°
C13	C11	C6	H6	85.6°	169.7°
C13	C11	C10	H10	59.1°	67.4°
C13	C11	C10	H11	60.1°	172.0°
C13	C11	C12	H12	61.2°	179.5°
C13	C11	C12	H13	58.8°	59.6°
C13	C11	C12	H14	178.8°	60.4°
C11	C13	H15	H16	120.0°	120.1°
C11	C13	H15	H17	120.0°	119.9°
C11	C13	H16	H17	120.0°	120.0°
C12	C11	C6	C7	80.3°	169.4°
C12	C11	C6	C4	148.6°	70.5°
C12	C11	C6	H6	34.3°	49.3°
C12	C11	C10	H10	178.3°	52.9°
C12	C11	C10	H11	59.1°	67.6°
C11	C12	H12	H13	120.0°	120.0°
C11	C12	H12	H14	120.0°	120.1°
C11	C12	H13	H14	120.0°	120.1°
C12	C11	C13	H15	60.6°	66.9°
C12	C11	C13	H16	179.4°	53.2°
C12	C11	C13	H17	59.4°	173.2°
C11	C6	C4	O5	50.6°	88.4°
C11	C6	C7	C4	130.7°	120.2°
C11	C6	C7	H6	114.3°	120.1°
C11	C6	C7	C14	158.1°	162.8°
C11	C6	C4	H6	114.1°	119.7°
C11	C6	C4	C3	123.1°	91.5°
C6	C11	C10	H10	62.0°	172.7°
C6	C11	C10	H11	178.8°	52.2°
C6	C11	C12	H12	59.4°	59.0°
C6	C11	C12	H13	179.4°	60.9°
C6	C11	C12	H14	60.6°	179.0°
C6	C11	C13	H15	59.0°	172.6°
C6	C11	C13	H16	61.0°	67.3°
C6	C11	C13	H17	179.0°	52.7°
O5	C4	C6	C7	80.2°	32.2°
O5	C4	C6	C3	173.7°	180.0°
O5	C4	C3	C2	0.2°	0.0°
O5	C4	C3	H5	179.7°	180.0°
O5	C4	C6	H6	164.7°	151.9°
C7	C6	C4	H6	115.1°	119.7°
C7	C6	C4	C3	106.1°	147.9°
C6	C7	C8	H7	165.8°	179.5°
C6	C7	C14	H18	3.2°	90.0°
C6	C7	C14	H19	116.9°	150.0°
C6	C7	C14	H20	123.1°	30.0°
C14	C7	C6	C4	71.2°	42.6°
C14	C7	C6	H6	43.9°	77.1°
C14	C7	C8	H7	17.5°	0.5°
C7	C14	H18	H19	120.0°	119.9°
C7	C14	H18	H20	120.0°	120.0°
C7	C14	H19	H20	120.0°	120.0°
C6	C4	C3	C2	173.4°	180.0°
C6	C4	C3	H5	6.6°	0.0°
C4	C3	C2	H5	180.0°	180.0°
C4	C3	C2	C1	178.4°	180.0°
C4	C3	C2	H4	1.6°	0.0°
C3	C4	C6	H6	9.0°	28.2°
C3	C2	C1	H4	180.0°	180.0°
C3	C2	C1	H1	180.0°	60.0°
C3	C2	C1	H2	60.0°	180.0°
C3	C2	C1	H3	60.0°	60.0°
C2	C1	H1	H2	120.0°	119.9°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.0°
C1	C2	C3	H5	1.6°	0.0°
H1	C1	H2	H3	120.0°	120.1°
H1	C1	C2	H4	0.0°	120.0°
H2	C1	C2	H4	120.0°	0.0°
H3	C1	C2	H4	120.0°	120.0°
H4	C2	C3	H5	178.4°	180.0°
H7	C8	C9	H8	89.9°	76.9°
H7	C8	C9	H9	30.1°	42.7°
H8	C9	C10	H10	171.0°	48.9°
H8	C9	C10	H11	51.8°	169.5°
H9	C9	C10	H10	51.1°	70.6°
H9	C9	C10	H11	68.2°	49.9°
H12	C12	H13	H14	120.0°	120.0°
H15	C13	H16	H17	120.0°	120.0°
H18	C14	H19	H20	120.0°	120.1°

Release date:	2025-02-26
Definition date:	2024-11-14
Last modified:	2025-02-21
Release status:	REL
Processing site:	PDBE
Derived from:	9HED