AC9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CR	O1	sing	0.00Å	1.96Å
CR	O2	sing	0.00Å	1.97Å
CR	O3	sing	0.00Å	1.95Å
CR	O4	sing	0.00Å	1.92Å
CR	O5	sing	0.00Å	1.94Å
CR	O6	sing	0.00Å	1.96Å
O1	C1	doub	0.00Å	1.27Å
O2	C3	sing	0.00Å	1.28Å
O3	C6	doub	0.00Å	1.25Å
O4	C8	sing	0.00Å	1.25Å
O5	C11	doub	0.00Å	1.26Å
O6	C13	sing	0.00Å	1.28Å
C1	C2	sing	0.00Å	1.38Å
C1	C4	sing	0.00Å	1.50Å
C2	C3	doub	0.00Å	1.39Å
C2	H2	sing	0.00Å	1.08Å
C3	C5	sing	0.00Å	1.50Å
C4	H41	sing	0.00Å	1.10Å
C4	H42	sing	0.00Å	1.10Å
C4	H43	sing	0.00Å	1.10Å
C5	H51	sing	0.00Å	1.10Å
C5	H52	sing	0.00Å	1.10Å
C5	H53	sing	0.00Å	1.10Å
C6	C7	sing	0.00Å	1.47Å
C6	C9	sing	0.00Å	1.43Å
C7	C8	doub	0.00Å	1.38Å
C7	H7	sing	0.00Å	1.08Å
C8	C10	sing	0.00Å	1.52Å
C9	H91	sing	0.00Å	1.10Å
C9	H92	sing	0.00Å	1.10Å
C9	H93	sing	0.00Å	1.10Å
C10	H101	sing	0.00Å	1.10Å
C10	H102	sing	0.00Å	1.10Å
C10	H103	sing	0.00Å	1.10Å
C11	C12	sing	0.00Å	1.37Å
C11	C14	sing	0.00Å	1.52Å
C12	C13	doub	0.00Å	1.39Å
C12	H12	sing	0.00Å	1.08Å
C13	C15	sing	0.00Å	1.49Å
C14	H141	sing	0.00Å	1.10Å
C14	H142	sing	0.00Å	1.10Å
C14	H143	sing	0.00Å	1.10Å
C15	H151	sing	0.00Å	1.10Å
C15	H152	sing	0.00Å	1.10Å
C15	H153	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	CR	O2	89.8°	90.0°
O1	CR	O3	91.1°	90.0°
O1	CR	O4	177.7°	90.0°
O1	CR	O5	90.0°	90.0°
O1	CR	O6	88.2°	90.0°
CR	O1	C1	128.3°	90.0°
O2	CR	O3	89.1°	90.0°
O2	CR	O4	90.0°	90.0°
O2	CR	O5	178.6°	90.0°
O2	CR	O6	89.4°	90.0°
CR	O2	C3	127.3°	90.0°
O3	CR	O4	91.2°	90.0°
O3	CR	O5	89.5°	90.0°
O3	CR	O6	178.3°	90.0°
CR	O3	C6	131.3°	90.0°
O4	CR	O5	90.3°	90.0°
O4	CR	O6	89.4°	90.0°
CR	O4	C8	127.1°	90.0°
O5	CR	O6	92.1°	90.0°
CR	O5	C11	125.9°	90.0°
CR	O6	C13	125.8°	90.0°
O1	C1	C2	123.6°	90.0°
O1	C1	C4	115.9°	90.0°
O2	C3	C2	124.1°	90.0°
O2	C3	C5	115.0°	90.0°
O3	C6	C7	117.5°	90.0°
O3	C6	C9	120.7°	90.0°
O4	C8	C7	125.3°	90.0°
O4	C8	C10	116.3°	90.0°
O5	C11	C12	126.2°	90.0°
O5	C11	C14	114.7°	90.0°
O6	C13	C12	124.0°	90.0°
O6	C13	C15	114.4°	90.0°
C2	C1	C4	120.5°	90.0°
C1	C2	C3	126.0°	90.0°
C1	C2	H2	117.1°	90.0°
C1	C4	H41	109.5°	90.0°
C1	C4	H42	109.5°	90.0°
C1	C4	H43	109.5°	90.0°
C3	C2	H2	117.0°	90.0°
C2	C3	C5	120.9°	90.0°
C3	C5	H51	109.5°	90.0°
C3	C5	H52	109.5°	90.0°
C3	C5	H53	109.5°	90.0°
H41	C4	H42	109.5°	90.0°
H41	C4	H43	109.5°	90.0°
H42	C4	H43	109.5°	90.0°
H51	C5	H52	109.5°	90.0°
H51	C5	H53	109.5°	90.0°
H52	C5	H53	109.5°	90.0°
C7	C6	C9	121.3°	90.0°
C6	C7	C8	126.5°	90.0°
C6	C7	H7	116.8°	90.0°
C6	C9	H91	109.5°	90.0°
C6	C9	H92	109.5°	90.0°
C6	C9	H93	109.5°	90.0°
C8	C7	H7	116.7°	90.0°
C7	C8	C10	118.2°	90.0°
C8	C10	H101	109.5°	90.0°
C8	C10	H102	109.5°	90.0°
C8	C10	H103	109.5°	90.0°
H91	C9	H92	109.5°	90.0°
H91	C9	H93	109.5°	90.0°
H92	C9	H93	109.5°	90.0°
H101	C10	H102	109.5°	90.0°
H101	C10	H103	109.5°	90.0°
H102	C10	H103	109.4°	90.0°
C12	C11	C14	119.0°	90.0°
C11	C12	C13	125.8°	90.0°
C11	C12	H12	117.1°	90.0°
C11	C14	H141	109.5°	90.0°
C11	C14	H142	109.5°	90.0°
C11	C14	H143	109.5°	90.0°
C13	C12	H12	117.1°	90.0°
C12	C13	C15	121.6°	90.0°
C13	C15	H151	109.5°	90.0°
C13	C15	H152	109.5°	90.0°
C13	C15	H153	109.5°	90.0°
H141	C14	H142	109.5°	90.0°
H141	C14	H143	109.5°	90.0°
H142	C14	H143	109.5°	90.0°
H151	C15	H152	109.4°	90.0°
H151	C15	H153	109.5°	90.0°
H152	C15	H153	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	CR	O2	O3	91.1°	90.0°
O1	CR	O2	O4	177.7°	90.0°
O1	CR	O2	O5	81.0°	90.0°
O1	CR	O2	O6	88.2°	90.0°
O1	CR	O3	O4	179.8°	90.0°
O1	CR	O3	O5	90.0°	90.0°
O1	CR	O3	O6	66.5°	90.0°
O1	CR	O4	O5	96.6°	90.0°
O1	CR	O4	O6	4.5°	90.0°
O1	CR	O5	O6	88.2°	90.0°
O1	CR	O2	C3	7.2°	90.0°
O1	CR	O3	C6	178.2°	90.0°
O1	CR	O4	C8	179.5°	90.0°
O1	CR	O5	C11	92.2°	90.0°
O1	CR	O6	C13	95.5°	90.0°
CR	O1	C1	C2	6.7°	90.0°
CR	O1	C1	C4	173.2°	90.0°
O2	CR	O3	O4	90.0°	90.0°
O2	CR	O3	O5	179.7°	90.0°
O2	CR	O3	O6	23.3°	90.0°
O2	CR	O4	O5	178.6°	90.0°
O2	CR	O4	O6	89.4°	90.0°
O2	CR	O5	O6	169.2°	90.0°
O2	CR	O1	C1	10.1°	90.0°
O2	CR	O3	C6	92.1°	90.0°
O2	CR	O4	C8	94.7°	90.0°
O2	CR	O5	C11	173.2°	90.0°
O2	CR	O6	C13	174.7°	90.0°
CR	O2	C3	C2	1.1°	90.0°
CR	O2	C3	C5	179.3°	90.0°
O3	CR	O4	O5	89.5°	90.0°
O3	CR	O4	O6	178.5°	90.0°
O3	CR	O5	O6	179.3°	90.0°
O3	CR	O1	C1	99.2°	90.0°
O3	CR	O2	C3	98.3°	90.0°
O3	CR	O4	C8	5.5°	90.0°
O3	CR	O5	C11	176.7°	90.0°
O3	CR	O6	C13	162.0°	90.0°
CR	O3	C6	C7	5.1°	90.0°
CR	O3	C6	C9	177.4°	90.0°
O4	CR	O5	O6	89.4°	90.0°
O4	CR	O1	C1	74.8°	90.0°
O4	CR	O2	C3	170.5°	90.0°
O4	CR	O3	C6	2.0°	90.0°
O4	CR	O5	C11	85.5°	90.0°
O4	CR	O6	C13	84.7°	90.0°
CR	O4	C8	C7	1.3°	90.0°
CR	O4	C8	C10	174.5°	90.0°
O5	CR	O1	C1	171.3°	90.0°
O5	CR	O2	C3	88.2°	90.0°
O5	CR	O3	C6	88.2°	90.0°
O5	CR	O4	C8	83.9°	90.0°
O5	CR	O6	C13	5.6°	90.0°
CR	O5	C11	C12	0.1°	90.0°
CR	O5	C11	C14	178.7°	90.0°
O6	CR	O1	C1	79.3°	90.0°
O6	CR	O2	C3	81.0°	90.0°
O6	CR	O3	C6	115.3°	90.0°
O6	CR	O4	C8	176.0°	90.0°
O6	CR	O5	C11	3.9°	90.0°
CR	O6	C13	C12	3.3°	90.0°
CR	O6	C13	C15	178.0°	90.0°
O1	C1	C2	C4	179.9°	90.0°
O1	C1	C2	C3	3.5°	90.0°
O1	C1	C2	H2	176.5°	90.0°
O1	C1	C4	H41	0.0°	90.0°
O1	C1	C4	H42	120.0°	90.0°
O1	C1	C4	H43	120.0°	90.0°
O2	C3	C2	C1	6.5°	90.0°
O2	C3	C2	C5	179.6°	90.0°
O2	C3	C2	H2	173.5°	90.0°
O2	C3	C5	H51	0.0°	90.0°
O2	C3	C5	H52	120.0°	90.0°
O2	C3	C5	H53	120.0°	90.0°
O3	C6	C7	C9	172.3°	90.0°
O3	C6	C7	C8	11.8°	90.0°
O3	C6	C7	H7	168.2°	90.0°
O3	C6	C9	H91	0.0°	90.0°
O3	C6	C9	H92	120.0°	90.0°
O3	C6	C9	H93	120.0°	90.0°
O4	C8	C7	C6	8.8°	90.0°
O4	C8	C7	C10	175.7°	90.0°
O4	C8	C7	H7	171.2°	90.0°
O4	C8	C10	H101	0.0°	90.0°
O4	C8	C10	H102	120.0°	90.0°
O4	C8	C10	H103	120.0°	90.0°
O5	C11	C12	C14	178.5°	90.0°
O5	C11	C12	C13	4.7°	90.0°
O5	C11	C12	H12	175.3°	90.0°
O5	C11	C14	H141	0.0°	90.0°
O5	C11	C14	H142	120.0°	90.0°
O5	C11	C14	H143	120.0°	90.0°
O6	C13	C12	C11	2.7°	90.0°
O6	C13	C12	C15	178.6°	90.0°
O6	C13	C12	H12	177.3°	90.0°
O6	C13	C15	H151	0.0°	90.0°
O6	C13	C15	H152	120.0°	90.0°
O6	C13	C15	H153	120.0°	90.0°
C1	C2	C3	H2	180.0°	90.0°
C1	C2	C3	C5	173.1°	90.0°
C2	C1	C4	H41	179.9°	90.0°
C2	C1	C4	H42	59.9°	90.0°
C2	C1	C4	H43	60.1°	90.0°
C4	C1	C2	C3	176.6°	90.0°
C4	C1	C2	H2	3.4°	90.0°
C1	C4	H41	H42	120.0°	90.0°
C1	C4	H41	H43	120.0°	90.0°
C1	C4	H42	H43	120.0°	90.0°
C2	C3	C5	H51	179.6°	90.0°
C2	C3	C5	H52	59.6°	90.0°
C2	C3	C5	H53	60.3°	90.0°
H2	C2	C3	C5	6.9°	90.0°
C3	C5	H51	H52	120.0°	90.0°
C3	C5	H51	H53	120.0°	90.0°
C3	C5	H52	H53	120.0°	90.0°
H41	C4	H42	H43	120.0°	90.0°
H51	C5	H52	H53	120.0°	90.0°
C6	C7	C8	H7	180.0°	90.0°
C6	C7	C8	C10	175.5°	90.0°
C7	C6	C9	H91	172.0°	90.0°
C7	C6	C9	H92	68.0°	90.0°
C7	C6	C9	H93	52.0°	90.0°
C9	C6	C7	C8	176.0°	90.0°
C9	C6	C7	H7	4.0°	90.0°
C6	C9	H91	H92	120.0°	90.0°
C6	C9	H91	H93	120.0°	90.0°
C6	C9	H92	H93	120.0°	90.0°
C7	C8	C10	H101	176.1°	90.0°
C7	C8	C10	H102	56.1°	90.0°
C7	C8	C10	H103	63.8°	90.0°
H7	C7	C8	C10	4.6°	90.0°
C8	C10	H101	H102	120.0°	90.0°
C8	C10	H101	H103	120.0°	90.0°
C8	C10	H102	H103	120.0°	90.0°
H91	C9	H92	H93	120.0°	90.0°
H101	C10	H102	H103	120.0°	90.0°
C11	C12	C13	H12	180.0°	90.0°
C11	C12	C13	C15	175.8°	90.0°
C12	C11	C14	H141	178.6°	90.0°
C12	C11	C14	H142	58.6°	90.0°
C12	C11	C14	H143	61.3°	90.0°
C14	C11	C12	C13	176.8°	90.0°
C14	C11	C12	H12	3.2°	90.0°
C11	C14	H141	H142	120.0°	90.0°
C11	C14	H141	H143	120.0°	90.0°
C11	C14	H142	H143	120.0°	90.0°
C12	C13	C15	H151	178.7°	90.0°
C12	C13	C15	H152	58.7°	90.0°
C12	C13	C15	H153	61.3°	90.0°
H12	C12	C13	C15	4.2°	90.0°
C13	C15	H151	H152	120.0°	90.0°
C13	C15	H151	H153	120.0°	90.0°
C13	C15	H152	H153	120.0°	90.0°
H141	C14	H142	H143	120.0°	90.0°
H151	C15	H152	H153	120.0°	90.0°

Definition date:	2005-07-06
Last modified:	2023-09-23
Release status:	REL
Processing site:	RCSB
Derived from:	2A01