J3G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.53Å	1.51Å
C1	C2	sing	1.53Å	1.54Å
O5	C3	doub	1.21Å	1.22Å
C2	C3	sing	1.51Å	1.52Å
C3	O1	sing	1.34Å	1.46Å
C4	O1	sing	1.45Å	1.43Å
C4	C5	sing	1.53Å	1.53Å
C5	O4	sing	1.43Å	1.43Å
C5	C6	sing	1.53Å	1.53Å
C6	O2	sing	1.45Å	1.42Å
O2	C7	sing	1.34Å	1.44Å
C9	C10	sing	1.53Å	1.52Å
C9	C8	sing	1.53Å	1.53Å
C7	O3	doub	1.21Å	1.22Å
C7	C8	sing	1.51Å	1.51Å
C	H1	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
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
C10	H12	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C6	H14	sing	1.09Å	1.10Å
C5	H15	sing	1.09Å	1.10Å
O4	H16	sing	0.97Å	0.95Å
C4	H17	sing	1.09Å	1.10Å
C4	H18	sing	1.09Å	1.10Å
C1	H19	sing	1.09Å	1.10Å
C1	H20	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	111.6°	109.4°
C1	C	H1	109.5°	109.5°
C1	C	H2	109.5°	109.4°
C1	C	H3	109.5°	109.4°
C	C1	H19	108.9°	109.4°
C	C1	H20	108.9°	109.5°
C1	C2	C3	111.9°	109.5°
C1	C2	H4	108.8°	109.5°
C1	C2	H5	108.9°	109.5°
C2	C1	H19	108.9°	109.5°
C2	C1	H20	109.0°	109.5°
O5	C3	C2	121.7°	120.0°
O5	C3	O1	117.8°	120.0°
C2	C3	O1	120.5°	120.0°
C3	C2	H4	108.9°	109.4°
C3	C2	H5	108.8°	109.5°
C3	O1	C4	121.1°	117.0°
O1	C4	C5	115.9°	109.5°
O1	C4	H17	107.8°	109.5°
O1	C4	H18	107.8°	109.4°
C4	C5	O4	110.8°	109.5°
C4	C5	C6	115.6°	109.5°
C4	C5	H15	106.7°	109.5°
C5	C4	H17	107.9°	109.5°
C5	C4	H18	107.8°	109.5°
O4	C5	C6	108.9°	109.5°
O4	C5	H15	107.8°	109.5°
C5	O4	H16	109.5°	114.0°
C5	C6	O2	106.9°	109.5°
C5	C6	H13	110.1°	109.5°
C5	C6	H14	110.1°	109.5°
C6	C5	H15	106.7°	109.5°
C6	O2	C7	118.6°	117.0°
O2	C6	H13	110.1°	109.5°
O2	C6	H14	110.1°	109.4°
O2	C7	O3	118.1°	120.0°
O2	C7	C8	118.9°	120.0°
C10	C9	C8	111.9°	109.4°
C10	C9	H8	108.9°	109.4°
C10	C9	H9	108.9°	109.5°
C9	C10	H10	109.5°	109.4°
C9	C10	H11	109.5°	109.5°
C9	C10	H12	109.4°	109.4°
C9	C8	C7	109.6°	109.5°
C9	C8	H6	109.5°	109.5°
C9	C8	H7	109.4°	109.5°
C8	C9	H8	108.9°	109.5°
C8	C9	H9	108.9°	109.5°
O3	C7	C8	123.0°	120.0°
C7	C8	H6	109.4°	109.5°
C7	C8	H7	109.5°	109.4°
H1	C	H2	109.5°	109.5°
H1	C	H3	109.5°	109.5°
H2	C	H3	109.4°	109.5°
H4	C2	H5	109.5°	109.5°
H6	C8	H7	109.5°	109.5°
H8	C9	H9	109.4°	109.5°
H10	C10	H11	109.4°	109.5°
H10	C10	H12	109.5°	109.5°
H11	C10	H12	109.5°	109.5°
H13	C6	H14	109.5°	109.5°
H17	C4	H18	109.5°	109.5°
H19	C1	H20	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	H19	120.3°	119.9°
C	C1	C2	H20	120.3°	120.0°
C	C1	C2	C3	132.0°	180.0°
C1	C	H1	H2	120.0°	120.0°
C1	C	H1	H3	120.0°	120.0°
C1	C	H2	H3	120.0°	119.9°
C	C1	C2	H4	11.6°	60.0°
C	C1	C2	H5	107.6°	60.0°
C	C1	H19	H20	119.0°	120.0°
C1	C2	C3	O5	32.4°	0.0°
C1	C2	C3	H4	120.4°	120.0°
C1	C2	C3	H5	120.4°	120.0°
C1	C2	C3	O1	148.6°	180.0°
C2	C1	C	H1	180.0°	60.0°
C2	C1	C	H2	60.0°	60.0°
C2	C1	C	H3	60.0°	180.0°
C1	C2	H4	H5	118.9°	120.0°
C2	C1	H19	H20	119.0°	120.0°
O5	C3	C2	O1	179.1°	179.9°
O5	C3	O1	C4	31.3°	0.0°
O5	C3	C2	H4	152.7°	120.0°
O5	C3	C2	H5	88.0°	120.0°
C2	C3	O1	C4	149.6°	180.0°
C3	C2	H4	H5	118.9°	120.0°
C3	C2	C1	H19	107.7°	60.0°
C3	C2	C1	H20	11.7°	60.0°
C3	O1	C4	C5	89.2°	180.0°
O1	C3	C2	H4	28.2°	60.0°
O1	C3	C2	H5	91.1°	60.0°
C3	O1	C4	H17	31.7°	60.0°
C3	O1	C4	H18	149.9°	60.0°
O1	C4	C5	H17	120.9°	120.0°
O1	C4	C5	H18	120.9°	120.0°
O1	C4	C5	O4	127.0°	65.0°
O1	C4	C5	C6	2.5°	175.0°
O1	C4	C5	H15	115.9°	55.0°
O1	C4	H17	H18	117.1°	119.9°
C4	C5	O4	C6	128.2°	120.0°
C4	C5	O4	H15	116.4°	120.0°
C4	C5	C6	H15	118.4°	120.0°
C4	C5	C6	O2	163.5°	175.0°
C4	C5	C6	H13	76.9°	65.0°
C4	C5	C6	H14	43.9°	55.0°
C4	C5	O4	H16	180.0°	60.0°
C5	C4	H17	H18	117.1°	120.0°
O4	C5	C6	H15	116.1°	120.0°
O4	C5	C6	O2	71.0°	65.0°
O4	C5	C6	H13	48.6°	55.0°
O4	C5	C6	H14	169.4°	175.0°
O4	C5	C4	H17	112.1°	55.0°
O4	C5	C4	H18	6.0°	175.0°
C5	C6	O2	H13	119.6°	120.0°
C5	C6	O2	H14	119.6°	120.0°
C5	C6	O2	C7	170.2°	180.0°
C5	C6	H13	H14	121.2°	120.0°
C6	C5	O4	H16	51.8°	60.0°
C6	C5	C4	H17	123.4°	65.0°
C6	C5	C4	H18	118.5°	55.0°
C6	O2	C7	O3	16.3°	0.0°
C6	O2	C7	C8	164.0°	180.0°
O2	C6	H13	H14	121.2°	119.9°
O2	C6	C5	H15	45.1°	55.0°
O2	C7	C8	C9	41.8°	180.0°
O2	C7	O3	C8	179.8°	179.9°
O2	C7	C8	H6	161.9°	60.0°
O2	C7	C8	H7	78.2°	60.0°
C7	O2	C6	H13	50.7°	60.0°
C7	O2	C6	H14	70.2°	60.0°
C10	C9	C8	H8	120.4°	119.9°
C10	C9	C8	H9	120.4°	120.0°
C10	C9	C8	C7	150.1°	180.0°
C10	C9	C8	H6	30.1°	60.0°
C10	C9	C8	H7	89.8°	60.0°
C10	C9	H8	H9	118.9°	120.0°
C9	C10	H10	H11	120.0°	120.0°
C9	C10	H10	H12	120.0°	119.9°
C9	C10	H11	H12	120.0°	120.0°
C9	C8	C7	O3	137.9°	0.0°
C9	C8	C7	H6	120.0°	120.0°
C9	C8	C7	H7	120.0°	120.0°
C9	C8	H6	H7	119.9°	120.0°
C8	C9	H8	H9	118.9°	120.0°
C8	C9	C10	H10	180.0°	60.0°
C8	C9	C10	H11	60.0°	60.0°
C8	C9	C10	H12	60.0°	180.0°
O3	C7	C8	H6	17.9°	120.0°
O3	C7	C8	H7	102.0°	120.0°
C7	C8	H6	H7	120.0°	120.0°
C7	C8	C9	H8	89.5°	60.0°
C7	C8	C9	H9	29.8°	60.0°
H1	C	H2	H3	120.0°	120.1°
H1	C	C1	H19	59.7°	60.0°
H1	C	C1	H20	59.7°	180.0°
H2	C	C1	H19	60.4°	180.0°
H2	C	C1	H20	179.7°	60.0°
H3	C	C1	H19	179.7°	60.1°
H3	C	C1	H20	60.4°	60.0°
H4	C2	C1	H19	131.9°	59.9°
H4	C2	C1	H20	108.7°	180.0°
H5	C2	C1	H19	12.7°	180.0°
H5	C2	C1	H20	132.0°	60.0°
H6	C8	C9	H8	150.5°	180.0°
H6	C8	C9	H9	90.3°	60.0°
H7	C8	C9	H8	30.5°	59.9°
H7	C8	C9	H9	149.8°	180.0°
H8	C9	C10	H10	59.6°	180.0°
H8	C9	C10	H11	60.4°	60.0°
H8	C9	C10	H12	179.6°	60.1°
H9	C9	C10	H10	59.6°	60.0°
H9	C9	C10	H11	179.6°	180.0°
H9	C9	C10	H12	60.4°	60.0°
H10	C10	H11	H12	120.0°	120.0°
H13	C6	C5	H15	164.7°	175.0°
H14	C6	C5	H15	74.5°	65.0°
H15	C5	O4	H16	63.6°	180.0°
H15	C5	C4	H17	5.0°	175.0°
H15	C5	C4	H18	123.1°	65.0°

Release date:	2019-08-07
Definition date:	2018-08-06
Last modified:	2019-08-02
Release status:	REL
Processing site:	RCSB
Derived from:	6EB3