FGJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C5	doub	1.21Å	1.20Å
C5	O1	sing	1.34Å	1.33Å
C5	C4	sing	1.51Å	1.50Å
O1	C6	sing	1.45Å	1.45Å
C4	C3	sing	1.53Å	1.52Å
C3	C2	sing	1.53Å	1.52Å
C8	O2	sing	1.43Å	1.42Å
C8	C7	sing	1.53Å	1.50Å
C6	C7	sing	1.53Å	1.50Å
C7	O3	sing	1.45Å	1.46Å
C2	C1	sing	1.53Å	1.52Å
C1	C	sing	1.53Å	1.51Å
O3	C9	sing	1.34Å	1.34Å
O4	C9	doub	1.21Å	1.20Å
C9	C10	sing	1.51Å	1.50Å
C10	C11	sing	1.53Å	1.52Å
C11	C12	sing	1.53Å	1.52Å
C12	C13	sing	1.53Å	1.51Å
C13	C14	sing	1.53Å	1.51Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C10	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å
C13	H18	sing	1.09Å	1.10Å
C13	H19	sing	1.09Å	1.10Å
C14	H20	sing	1.09Å	1.10Å
C14	H21	sing	1.09Å	1.10Å
C14	H22	sing	1.09Å	1.10Å
C7	H23	sing	1.09Å	1.10Å
O2	H24	sing	0.97Å	0.95Å
C3	H25	sing	1.09Å	1.10Å
C3	H26	sing	1.09Å	1.10Å
C1	H27	sing	1.09Å	1.10Å
C1	H28	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C5	O1	123.7°	120.0°
O	C5	C4	124.8°	120.0°
O1	C5	C4	111.5°	120.0°
C5	O1	C6	117.0°	117.0°
C5	C4	C3	113.1°	109.5°
C5	C4	H1	108.5°	109.4°
C5	C4	H2	108.6°	109.5°
O1	C6	C7	108.0°	109.5°
O1	C6	H5	109.8°	109.4°
O1	C6	H6	109.8°	109.5°
C4	C3	C2	112.8°	109.5°
C3	C4	H1	108.6°	109.4°
C3	C4	H2	108.5°	109.5°
C4	C3	H25	108.6°	109.4°
C4	C3	H26	108.6°	109.5°
C3	C2	C1	114.1°	109.5°
C3	C2	H3	108.3°	109.5°
C3	C2	H4	108.3°	109.5°
C2	C3	H25	108.6°	109.5°
C2	C3	H26	108.6°	109.5°
O2	C8	C7	111.8°	109.5°
O2	C8	H7	108.9°	109.5°
O2	C8	H8	108.9°	109.5°
C8	O2	H24	109.5°	114.0°
C8	C7	C6	111.5°	109.5°
C8	C7	O3	107.8°	109.5°
C7	C8	H7	108.9°	109.5°
C7	C8	H8	108.9°	109.5°
C8	C7	H23	109.6°	109.5°
C6	C7	O3	108.1°	109.4°
C7	C6	H5	109.8°	109.4°
C7	C6	H6	109.8°	109.5°
C6	C7	H23	109.6°	109.5°
C7	O3	C9	117.5°	117.0°
O3	C7	H23	110.2°	109.5°
C2	C1	C	113.1°	109.4°
C1	C2	H3	108.3°	109.5°
C1	C2	H4	108.3°	109.5°
C2	C1	H27	108.6°	109.5°
C2	C1	H28	108.6°	109.4°
C1	C	H9	109.5°	109.5°
C1	C	H10	109.5°	109.5°
C1	C	H11	109.4°	109.4°
C	C1	H27	108.6°	109.5°
C	C1	H28	108.5°	109.5°
O3	C9	O4	123.8°	120.0°
O3	C9	C10	111.2°	120.0°
O4	C9	C10	125.0°	120.0°
C9	C10	C11	113.2°	109.5°
C9	C10	H12	108.5°	109.5°
C9	C10	H13	108.5°	109.5°
C10	C11	C12	112.8°	109.4°
C11	C10	H12	108.6°	109.5°
C11	C10	H13	108.5°	109.4°
C10	C11	H14	108.6°	109.5°
C10	C11	H15	108.6°	109.5°
C11	C12	C13	114.0°	109.4°
C12	C11	H14	108.6°	109.5°
C12	C11	H15	108.6°	109.5°
C11	C12	H16	108.3°	109.5°
C11	C12	H17	108.3°	109.5°
C12	C13	C14	113.0°	109.4°
C13	C12	H16	108.3°	109.5°
C13	C12	H17	108.3°	109.4°
C12	C13	H18	108.6°	109.5°
C12	C13	H19	108.6°	109.4°
C14	C13	H18	108.6°	109.5°
C14	C13	H19	108.6°	109.5°
C13	C14	H20	109.5°	109.5°
C13	C14	H21	109.5°	109.5°
C13	C14	H22	109.5°	109.5°
H1	C4	H2	109.5°	109.5°
H3	C2	H4	109.4°	109.5°
H5	C6	H6	109.5°	109.5°
H7	C8	H8	109.5°	109.4°
H9	C	H10	109.5°	109.5°
H9	C	H11	109.5°	109.5°
H10	C	H11	109.5°	109.4°
H12	C10	H13	109.5°	109.5°
H14	C11	H15	109.5°	109.4°
H16	C12	H17	109.5°	109.5°
H18	C13	H19	109.4°	109.5°
H20	C14	H21	109.5°	109.4°
H20	C14	H22	109.4°	109.5°
H21	C14	H22	109.5°	109.4°
H25	C3	H26	109.5°	109.5°
H27	C1	H28	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C5	O1	C4	179.8°	179.9°
O	C5	O1	C6	149.0°	0.0°
O	C5	C4	C3	92.5°	0.1°
O	C5	C4	H1	28.0°	120.0°
O	C5	C4	H2	146.9°	120.0°
O1	C5	C4	C3	87.6°	180.0°
C5	O1	C6	C7	115.8°	180.0°
O1	C5	C4	H1	151.8°	60.1°
O1	C5	C4	H2	32.9°	59.9°
C5	O1	C6	H5	124.4°	60.1°
C5	O1	C6	H6	4.0°	60.0°
C4	C5	O1	C6	31.1°	180.0°
C5	C4	C3	H1	120.5°	120.0°
C5	C4	C3	H2	120.6°	120.0°
C5	C4	C3	C2	112.4°	180.0°
C5	C4	H1	H2	118.4°	120.0°
C5	C4	C3	H25	8.1°	60.0°
C5	C4	C3	H26	127.2°	60.0°
O1	C6	C7	C8	41.9°	55.0°
O1	C6	C7	H5	119.8°	119.9°
O1	C6	C7	H6	119.8°	120.0°
O1	C6	C7	O3	160.3°	65.0°
O1	C6	H5	H6	120.7°	120.0°
O1	C6	C7	H23	79.6°	175.0°
C4	C3	C2	H25	120.5°	119.9°
C4	C3	C2	H26	120.5°	120.0°
C4	C3	C2	C1	140.3°	180.0°
C3	C4	H1	H2	118.3°	120.0°
C4	C3	C2	H3	19.6°	60.1°
C4	C3	C2	H4	99.0°	60.0°
C4	C3	H25	H26	118.5°	120.0°
C3	C2	C1	H3	120.7°	120.0°
C3	C2	C1	H4	120.7°	120.0°
C3	C2	C1	C	173.5°	180.0°
C2	C3	C4	H1	127.1°	60.0°
C2	C3	C4	H2	8.2°	60.0°
C3	C2	H3	H4	117.9°	120.0°
C2	C3	H25	H26	118.5°	120.0°
C3	C2	C1	H27	52.9°	60.0°
C3	C2	C1	H28	66.0°	60.0°
O2	C8	C7	H7	120.4°	120.0°
O2	C8	C7	H8	120.3°	120.0°
O2	C8	C7	C6	80.0°	55.0°
O2	C8	C7	O3	38.5°	65.0°
O2	C8	H7	H8	118.9°	120.0°
O2	C8	C7	H23	158.4°	175.0°
C8	C7	C6	O3	118.4°	120.0°
C8	C7	C6	H23	121.5°	120.0°
C8	C7	O3	H23	119.5°	120.0°
C8	C7	O3	C9	53.0°	90.0°
C8	C7	C6	H5	77.9°	65.0°
C8	C7	C6	H6	161.7°	175.0°
C7	C8	H7	H8	118.9°	120.0°
C7	C8	O2	H24	72.4°	180.0°
C6	C7	O3	H23	119.8°	120.0°
C6	C7	O3	C9	173.7°	150.0°
C7	C6	H5	H6	120.7°	120.1°
C6	C7	C8	H7	40.3°	175.0°
C6	C7	C8	H8	159.6°	65.0°
C7	O3	C9	O4	63.0°	0.1°
C7	O3	C9	C10	116.9°	180.0°
O3	C7	C6	H5	40.5°	175.0°
O3	C7	C6	H6	80.0°	55.0°
O3	C7	C8	H7	158.9°	55.1°
O3	C7	C8	H8	81.8°	175.0°
C2	C1	C	H27	120.5°	120.0°
C2	C1	C	H28	120.5°	119.9°
C1	C2	H3	H4	117.9°	120.0°
C2	C1	C	H9	180.0°	60.0°
C2	C1	C	H10	60.0°	60.1°
C2	C1	C	H11	60.0°	180.0°
C1	C2	C3	H25	99.2°	60.0°
C1	C2	C3	H26	19.8°	60.0°
C2	C1	H27	H28	118.4°	120.0°
C	C1	C2	H3	65.8°	60.0°
C	C1	C2	H4	52.8°	60.0°
C1	C	H9	H10	120.0°	120.0°
C1	C	H9	H11	120.0°	120.0°
C1	C	H10	H11	120.0°	119.9°
C	C1	H27	H28	118.3°	120.0°
O3	C9	O4	C10	179.8°	179.9°
O3	C9	C10	C11	130.8°	180.0°
O3	C9	C10	H12	10.2°	60.0°
O3	C9	C10	H13	108.7°	60.0°
C9	O3	C7	H23	66.6°	30.0°
O4	C9	C10	C11	49.4°	0.0°
O4	C9	C10	H12	170.0°	120.0°
O4	C9	C10	H13	71.1°	119.9°
C9	C10	C11	H12	120.6°	120.0°
C9	C10	C11	H13	120.5°	120.0°
C9	C10	C11	C12	167.0°	180.0°
C9	C10	H12	H13	118.3°	120.0°
C9	C10	C11	H14	72.6°	60.0°
C9	C10	C11	H15	46.5°	60.0°
C10	C11	C12	H14	120.5°	120.0°
C10	C11	C12	H15	120.5°	120.0°
C10	C11	C12	C13	179.2°	180.0°
C11	C10	H12	H13	118.3°	120.0°
C10	C11	H14	H15	118.5°	120.0°
C10	C11	C12	H16	60.1°	60.0°
C10	C11	C12	H17	58.6°	60.1°
C11	C12	C13	H16	120.7°	120.0°
C11	C12	C13	H17	120.7°	120.0°
C11	C12	C13	C14	152.1°	180.0°
C12	C11	C10	H12	46.4°	60.0°
C12	C11	C10	H13	72.5°	60.0°
C12	C11	H14	H15	118.5°	120.0°
C11	C12	H16	H17	117.9°	120.0°
C11	C12	C13	H18	31.5°	60.0°
C11	C12	C13	H19	87.4°	60.0°
C12	C13	C14	H18	120.5°	120.0°
C12	C13	C14	H19	120.6°	120.0°
C13	C12	C11	H14	58.7°	60.0°
C13	C12	C11	H15	60.3°	60.0°
C13	C12	H16	H17	117.9°	120.0°
C12	C13	H18	H19	118.3°	120.0°
C12	C13	C14	H20	180.0°	180.0°
C12	C13	C14	H21	60.0°	60.0°
C12	C13	C14	H22	60.0°	60.0°
C14	C13	C12	H16	87.3°	60.0°
C14	C13	C12	H17	31.4°	60.0°
C14	C13	H18	H19	118.4°	120.0°
C13	C14	H20	H21	120.0°	120.0°
C13	C14	H20	H22	120.0°	120.0°
C13	C14	H21	H22	120.0°	120.0°
H1	C4	C3	H25	112.4°	180.0°
H1	C4	C3	H26	6.6°	60.0°
H2	C4	C3	H25	128.7°	60.0°
H2	C4	C3	H26	112.3°	180.0°
H3	C2	C3	H25	140.1°	180.0°
H3	C2	C3	H26	100.9°	60.0°
H3	C2	C1	H27	173.7°	180.0°
H3	C2	C1	H28	54.7°	60.0°
H4	C2	C3	H25	21.5°	60.0°
H4	C2	C3	H26	140.5°	180.0°
H4	C2	C1	H27	67.7°	60.0°
H4	C2	C1	H28	173.3°	180.0°
H5	C6	C7	H23	160.6°	55.1°
H6	C6	C7	H23	40.2°	65.0°
H7	C8	C7	H23	81.2°	64.9°
H7	C8	O2	H24	167.3°	60.0°
H8	C8	C7	H23	38.1°	55.0°
H8	C8	O2	H24	48.0°	60.0°
H9	C	H10	H11	120.0°	120.0°
H9	C	C1	H27	59.5°	NaN°
H9	C	C1	H28	59.5°	60.0°
H10	C	C1	H27	179.5°	60.0°
H10	C	C1	H28	60.5°	180.0°
H11	C	C1	H27	60.5°	60.0°
H11	C	C1	H28	179.5°	60.1°
H12	C10	C11	H14	166.9°	180.0°
H12	C10	C11	H15	74.1°	60.0°
H13	C10	C11	H14	48.0°	60.0°
H13	C10	C11	H15	167.0°	180.0°
H14	C11	C12	H16	179.4°	NaN°
H14	C11	C12	H17	61.9°	60.0°
H15	C11	C12	H16	60.4°	60.0°
H15	C11	C12	H17	179.1°	179.9°
H16	C12	C13	H18	152.2°	180.0°
H16	C12	C13	H19	33.3°	60.0°
H17	C12	C13	H18	89.2°	60.0°
H17	C12	C13	H19	151.9°	180.0°
H18	C13	C14	H20	59.5°	60.0°
H18	C13	C14	H21	179.5°	180.0°
H18	C13	C14	H22	60.5°	60.0°
H19	C13	C14	H20	59.4°	60.0°
H19	C13	C14	H21	60.6°	60.0°
H19	C13	C14	H22	179.4°	179.9°
H20	C14	H21	H22	120.0°	120.0°

Release date:	2018-05-16
Definition date:	2018-03-29
Last modified:	2018-05-11
Release status:	REL
Processing site:	RCSB
Derived from:	6CUD