E9O

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C3	sing	1.43Å	1.44Å
C3	C2	sing	1.53Å	1.53Å
C3	C4	sing	1.53Å	1.53Å
C2	N	sing	1.47Å	1.46Å
C4	O4	sing	1.43Å	1.43Å
C4	C5	sing	1.53Å	1.52Å
N	C7	sing	1.47Å	1.45Å
C5	C7	sing	1.53Å	1.52Å
C5	C6	sing	1.51Å	1.51Å
C7	C8	sing	1.53Å	1.52Å
C6	O61	doub	1.21Å	1.22Å
C6	O62	sing	1.34Å	1.34Å
C8	C9	sing	1.53Å	1.52Å
C9	C10	sing	1.53Å	1.51Å
C10	C1	sing	1.53Å	1.52Å
C1	C11	sing	1.53Å	1.52Å
C11	C12	sing	1.53Å	1.52Å
C12	C13	sing	1.53Å	1.52Å
C13	C14	sing	1.53Å	1.52Å
C14	C15	sing	1.53Å	1.51Å
C2	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
O3	H4	sing	0.97Å	0.95Å
N	H5	sing	1.01Å	1.00Å
C7	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
O62	H9	sing	0.97Å	0.95Å
C4	H10	sing	1.09Å	1.10Å
O4	H11	sing	0.97Å	0.95Å
C8	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.09Å	1.10Å
C10	H16	sing	1.09Å	1.10Å
C10	H17	sing	1.09Å	1.10Å
C1	H18	sing	1.09Å	1.10Å
C1	H19	sing	1.09Å	1.10Å
C11	H20	sing	1.09Å	1.10Å
C11	H21	sing	1.09Å	1.10Å
C12	H22	sing	1.09Å	1.10Å
C12	H23	sing	1.09Å	1.10Å
C13	H24	sing	1.09Å	1.10Å
C13	H25	sing	1.09Å	1.10Å
C14	H26	sing	1.09Å	1.10Å
C14	H27	sing	1.09Å	1.10Å
C15	H28	sing	1.09Å	1.10Å
C15	H29	sing	1.09Å	1.10Å
C15	H30	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C3	C2	108.8°	109.5°
O3	C3	C4	110.8°	109.5°
O3	C3	H3	109.2°	109.5°
C3	O3	H4	109.5°	114.0°
C2	C3	C4	112.0°	109.3°
C3	C2	N	111.8°	109.5°
C3	C2	H1	108.9°	109.5°
C3	C2	H2	108.9°	109.4°
C2	C3	H3	108.0°	109.5°
C3	C4	O4	111.3°	109.6°
C3	C4	C5	109.1°	109.2°
C4	C3	H3	108.0°	109.5°
C3	C4	H10	108.8°	109.5°
C2	N	C7	118.3°	111.2°
N	C2	H1	108.9°	109.5°
N	C2	H2	108.9°	109.4°
C2	N	H5	107.2°	111.0°
O4	C4	C5	108.6°	109.5°
O4	C4	H10	110.2°	109.5°
C4	O4	H11	109.5°	114.1°
C4	C5	C7	105.0°	109.3°
C4	C5	C6	111.8°	109.5°
C4	C5	H8	109.3°	109.5°
C5	C4	H10	108.9°	109.6°
N	C7	C5	109.0°	109.5°
N	C7	C8	109.9°	109.5°
C7	N	H5	107.2°	111.0°
N	C7	H7	108.7°	109.4°
C7	C5	C6	111.9°	109.5°
C5	C7	C8	113.4°	109.5°
C5	C7	H7	107.8°	109.5°
C7	C5	H8	109.3°	109.5°
C5	C6	O61	120.7°	120.0°
C5	C6	O62	121.5°	120.0°
C6	C5	H8	109.5°	109.5°
C7	C8	C9	107.8°	109.5°
C8	C7	H7	107.9°	109.5°
C7	C8	H12	109.9°	109.5°
C7	C8	H13	109.9°	109.5°
O61	C6	O62	117.8°	120.0°
C6	O62	H9	109.5°	117.1°
C8	C9	C10	108.9°	109.5°
C9	C8	H12	109.9°	109.5°
C9	C8	H13	109.9°	109.4°
C8	C9	H14	109.6°	109.5°
C8	C9	H15	109.6°	109.5°
C9	C10	C1	111.2°	109.5°
C10	C9	H14	109.6°	109.5°
C10	C9	H15	109.6°	109.4°
C9	C10	H16	109.0°	109.4°
C9	C10	H17	109.0°	109.4°
C10	C1	C11	107.8°	109.5°
C1	C10	H16	109.0°	109.5°
C1	C10	H17	109.0°	109.5°
C10	C1	H18	109.9°	109.5°
C10	C1	H19	109.9°	109.5°
C1	C11	C12	111.6°	109.5°
C11	C1	H18	109.9°	109.5°
C11	C1	H19	109.9°	109.4°
C1	C11	H20	109.0°	109.5°
C1	C11	H21	109.0°	109.4°
C11	C12	C13	109.0°	109.5°
C12	C11	H20	108.9°	109.5°
C12	C11	H21	108.9°	109.5°
C11	C12	H22	109.6°	109.5°
C11	C12	H23	109.6°	109.5°
C12	C13	C14	110.9°	109.5°
C13	C12	H22	109.6°	109.4°
C13	C12	H23	109.6°	109.4°
C12	C13	H24	109.1°	109.5°
C12	C13	H25	109.1°	109.4°
C13	C14	C15	110.6°	109.5°
C14	C13	H24	109.1°	109.5°
C14	C13	H25	109.1°	109.4°
C13	C14	H26	109.2°	109.5°
C13	C14	H27	109.2°	109.4°
C15	C14	H26	109.2°	109.4°
C15	C14	H27	109.2°	109.4°
C14	C15	H28	109.5°	109.5°
C14	C15	H29	109.4°	109.5°
C14	C15	H30	109.4°	109.4°
H1	C2	H2	109.5°	109.4°
H12	C8	H13	109.5°	109.5°
H14	C9	H15	109.5°	109.4°
H16	C10	H17	109.5°	109.5°
H18	C1	H19	109.5°	109.5°
H20	C11	H21	109.5°	109.5°
H22	C12	H23	109.5°	109.4°
H24	C13	H25	109.4°	109.5°
H26	C14	H27	109.5°	109.5°
H28	C15	H29	109.5°	109.5°
H28	C15	H30	109.5°	109.4°
H29	C15	H30	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C3	C2	C4	122.8°	120.0°
O3	C3	C2	H3	118.4°	120.1°
O3	C3	C4	H3	119.6°	120.1°
O3	C3	C2	N	165.3°	179.2°
O3	C3	C4	O4	61.8°	62.4°
O3	C3	C4	C5	178.4°	177.6°
O3	C3	C2	H1	45.0°	59.1°
O3	C3	C2	H2	74.3°	60.9°
O3	C3	C4	H10	59.8°	57.6°
C2	C3	C4	H3	118.8°	120.0°
C3	C2	N	H1	120.3°	120.1°
C3	C2	N	H2	120.3°	119.9°
C2	C3	C4	O4	176.6°	177.6°
C2	C3	C4	C5	56.8°	57.6°
C3	C2	N	C7	43.4°	61.8°
C3	C2	H1	H2	118.9°	119.9°
C2	C3	O3	H4	180.0°	60.0°
C3	C2	N	H5	164.7°	174.2°
C2	C3	C4	H10	61.8°	62.3°
C4	C3	C2	N	42.6°	59.2°
C3	C4	O4	C5	120.1°	119.7°
C3	C4	O4	H10	120.7°	120.1°
C3	C4	C5	H10	118.6°	119.9°
C3	C4	C5	C7	66.5°	57.6°
C3	C4	C5	C6	172.0°	177.6°
C4	C3	C2	H1	77.8°	60.9°
C4	C3	C2	H2	162.9°	179.2°
C4	C3	O3	H4	56.6°	179.8°
C3	C4	C5	H8	50.6°	62.3°
C3	C4	O4	H11	180.0°	60.0°
C2	N	C7	H5	121.3°	124.0°
C2	N	C7	C5	55.4°	61.8°
C2	N	C7	C8	179.7°	178.2°
N	C2	H1	H2	118.9°	120.0°
N	C2	C3	H3	76.2°	60.8°
C2	N	C7	H7	61.9°	58.2°
O4	C4	C5	H10	120.0°	120.1°
O4	C4	C5	C7	172.0°	177.6°
O4	C4	C5	C6	50.6°	62.4°
O4	C4	C3	H3	57.8°	57.6°
O4	C4	C5	H8	70.8°	57.7°
C4	C5	C7	N	64.3°	59.1°
C4	C5	C7	C6	121.5°	120.0°
C4	C5	C7	H8	117.2°	119.9°
C4	C5	C6	H8	121.3°	120.1°
C4	C5	C7	C8	172.9°	179.2°
C4	C5	C6	O61	94.6°	119.8°
C4	C5	C6	O62	85.5°	60.2°
C5	C4	C3	H3	62.0°	62.3°
C4	C5	C7	H7	53.5°	60.9°
C5	C4	O4	H11	59.9°	179.7°
N	C7	C5	C8	122.8°	120.0°
N	C7	C5	H7	117.8°	120.0°
N	C7	C5	C6	174.2°	179.1°
N	C7	C8	H7	118.4°	119.9°
N	C7	C8	C9	75.2°	65.0°
C7	N	C2	H1	76.9°	58.3°
C7	N	C2	H2	163.8°	178.3°
N	C7	C5	H8	52.9°	60.8°
N	C7	C8	H12	44.5°	55.0°
N	C7	C8	H13	165.0°	175.0°
C7	C5	C6	H8	121.3°	120.1°
C5	C7	C8	H7	119.3°	120.0°
C7	C5	C6	O61	148.0°	0.0°
C7	C5	C6	O62	32.0°	180.0°
C5	C7	C8	C9	162.5°	174.9°
C5	C7	N	H5	176.7°	174.2°
C7	C5	C4	H10	52.0°	62.3°
C5	C7	C8	H12	77.8°	65.1°
C5	C7	C8	H13	42.7°	54.9°
C6	C5	C7	C8	51.4°	60.9°
C5	C6	O61	O62	180.0°	180.0°
C6	C5	C7	H7	67.9°	59.1°
C5	C6	O62	H9	180.0°	180.0°
C6	C5	C4	H10	69.4°	57.7°
C7	C8	C9	H12	119.8°	120.0°
C7	C8	C9	H13	119.8°	120.0°
C7	C8	C9	C10	179.0°	180.0°
C8	C7	N	H5	58.5°	54.2°
C8	C7	C5	H8	69.9°	59.2°
C7	C8	H12	H13	120.8°	120.0°
C7	C8	C9	H14	59.1°	59.9°
C7	C8	C9	H15	61.1°	60.0°
O61	C6	C5	H8	26.8°	120.1°
O61	C6	O62	H9	0.0°	0.0°
O62	C6	C5	H8	153.2°	59.9°
C8	C9	C10	H14	119.9°	120.1°
C8	C9	C10	H15	119.9°	120.0°
C8	C9	C10	C1	175.4°	180.0°
C9	C8	C7	H7	43.2°	54.9°
C9	C8	H12	H13	120.8°	119.9°
C8	C9	H14	H15	120.3°	120.0°
C8	C9	C10	H16	64.4°	60.0°
C8	C9	C10	H17	55.1°	60.0°
C9	C10	C1	H16	120.3°	120.0°
C9	C10	C1	H17	120.3°	120.0°
C9	C10	C1	C11	168.0°	180.0°
C10	C9	C8	H12	61.2°	60.0°
C10	C9	C8	H13	59.3°	60.0°
C10	C9	H14	H15	120.3°	119.9°
C9	C10	H16	H17	119.2°	119.9°
C9	C10	C1	H18	72.3°	60.0°
C9	C10	C1	H19	48.2°	60.0°
C10	C1	C11	H18	119.7°	120.0°
C10	C1	C11	H19	119.7°	120.0°
C10	C1	C11	C12	129.2°	NaN°
C1	C10	C9	H14	55.5°	59.9°
C1	C10	C9	H15	64.7°	60.0°
C1	C10	H16	H17	119.2°	120.0°
C10	C1	H18	H19	120.8°	120.0°
C10	C1	C11	H20	110.5°	60.0°
C10	C1	C11	H21	8.9°	60.0°
C1	C11	C12	H20	120.3°	120.0°
C1	C11	C12	H21	120.3°	120.0°
C1	C11	C12	C13	174.7°	180.0°
C11	C1	C10	H16	47.7°	60.0°
C11	C1	C10	H17	71.8°	60.0°
C11	C1	H18	H19	120.8°	119.9°
C1	C11	H20	H21	119.1°	119.9°
C1	C11	C12	H22	54.8°	60.0°
C1	C11	C12	H23	65.4°	60.0°
C11	C12	C13	H22	120.0°	120.1°
C11	C12	C13	H23	119.9°	120.0°
C11	C12	C13	C14	160.7°	180.0°
C12	C11	C1	H18	9.5°	60.0°
C12	C11	C1	H19	111.0°	60.0°
C12	C11	H20	H21	119.0°	120.0°
C11	C12	H22	H23	120.2°	120.0°
C11	C12	C13	H24	40.5°	60.0°
C11	C12	C13	H25	79.0°	60.0°
C12	C13	C14	H24	120.2°	120.0°
C12	C13	C14	H25	120.2°	119.9°
C12	C13	C14	C15	175.4°	180.0°
C13	C12	C11	H20	65.0°	60.0°
C13	C12	C11	H21	54.4°	60.0°
C13	C12	H22	H23	120.2°	119.9°
C12	C13	H24	H25	119.3°	119.9°
C12	C13	C14	H26	55.2°	60.0°
C12	C13	C14	H27	64.5°	60.1°
C13	C14	C15	H26	120.2°	120.1°
C13	C14	C15	H27	120.2°	119.9°
C14	C13	C12	H22	79.3°	59.9°
C14	C13	C12	H23	40.8°	60.0°
C14	C13	H24	H25	119.4°	120.0°
C13	C14	H26	H27	119.5°	120.0°
C13	C14	C15	H28	180.0°	180.0°
C13	C14	C15	H29	60.0°	59.9°
C13	C14	C15	H30	60.0°	60.1°
C15	C14	C13	H24	64.4°	60.0°
C15	C14	C13	H25	55.1°	60.1°
C15	C14	H26	H27	119.5°	119.9°
C14	C15	H28	H29	120.0°	120.1°
C14	C15	H28	H30	120.0°	119.9°
C14	C15	H29	H30	120.0°	119.9°
H1	C2	C3	H3	163.4°	179.1°
H1	C2	N	H5	44.4°	65.7°
H2	C2	C3	H3	44.1°	59.2°
H2	C2	N	H5	75.0°	54.2°
H3	C3	O3	H4	62.3°	60.1°
H3	C3	C4	H10	179.3°	177.7°
H5	N	C7	H7	59.4°	65.8°
H7	C7	C5	H8	170.7°	179.2°
H7	C7	C8	H12	162.9°	175.0°
H7	C7	C8	H13	76.6°	65.0°
H8	C5	C4	H10	169.2°	177.8°
H10	C4	O4	H11	59.2°	60.1°
H12	C8	C9	H14	178.8°	180.0°
H12	C8	C9	H15	58.7°	60.0°
H13	C8	C9	H14	60.7°	60.1°
H13	C8	C9	H15	179.2°	180.0°
H14	C9	C10	H16	175.7°	180.0°
H14	C9	C10	H17	64.8°	60.1°
H15	C9	C10	H16	55.5°	60.1°
H15	C9	C10	H17	175.0°	180.0°
H16	C10	C1	H18	167.4°	180.0°
H16	C10	C1	H19	72.0°	60.0°
H17	C10	C1	H18	48.0°	60.0°
H17	C10	C1	H19	168.5°	180.0°
H18	C1	C11	H20	129.8°	180.0°
H18	C1	C11	H21	110.8°	60.0°
H19	C1	C11	H20	9.3°	60.0°
H19	C1	C11	H21	128.7°	180.0°
H20	C11	C12	H22	175.1°	180.0°
H20	C11	C12	H23	55.0°	60.0°
H21	C11	C12	H22	65.5°	60.0°
H21	C11	C12	H23	174.3°	180.0°
H22	C12	C13	H24	160.5°	179.9°
H22	C12	C13	H25	40.9°	60.1°
H23	C12	C13	H24	79.4°	60.0°
H23	C12	C13	H25	161.1°	180.0°
H24	C13	C14	H26	175.4°	180.0°
H24	C13	C14	H27	55.7°	59.9°
H25	C13	C14	H26	65.0°	59.9°
H25	C13	C14	H27	175.3°	180.0°
H26	C14	C15	H28	59.8°	59.9°
H26	C14	C15	H29	179.8°	180.0°
H26	C14	C15	H30	60.2°	60.0°
H27	C14	C15	H28	59.8°	60.1°
H27	C14	C15	H29	60.2°	60.0°
H27	C14	C15	H30	179.9°	180.0°
H28	C15	H29	H30	120.0°	120.0°

Release date:	2021-01-27
Definition date:	2019-11-25
Last modified:	2021-01-22
Release status:	REL
Processing site:	PDBJ
Derived from:	6LDC