JQ5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C14	sing	1.53Å	1.56Å
C13	O12	sing	1.43Å	1.39Å
O12	P10	sing	1.61Å	1.71Å
O15	P10	doub	1.48Å	1.49Å
P10	C6	sing	1.81Å	1.84Å
P10	O11	sing	1.61Å	1.49Å
C5	C6	sing	1.51Å	1.53Å
C5	C4	sing	1.53Å	1.53Å
C6	O7	doub	1.21Å	1.24Å
C4	C1	sing	1.51Å	1.54Å
C1	O1	doub	1.21Å	1.26Å
C1	O3	sing	1.34Å	1.25Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
O3	H3	sing	0.97Å	0.95Å
C5	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
O11	H6	sing	0.97Å	0.95Å
C13	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C13	O12	110.6°	109.5°
C14	C13	H7	109.2°	109.5°
C14	C13	H8	109.2°	109.5°
C13	C14	H9	109.5°	109.5°
C13	C14	H10	109.5°	109.4°
C13	C14	H11	109.5°	109.5°
C13	O12	P10	124.0°	123.0°
O12	C13	H7	109.2°	109.5°
O12	C13	H8	109.2°	109.4°
O12	P10	O15	103.3°	109.4°
O12	P10	C6	105.3°	109.5°
O12	P10	O11	105.2°	109.4°
O15	P10	C6	113.0°	109.5°
O15	P10	O11	124.4°	109.5°
C6	P10	O11	104.0°	109.5°
P10	C6	C5	112.4°	120.0°
P10	C6	O7	125.1°	120.0°
P10	O11	H6	109.5°	114.0°
C6	C5	C4	117.5°	109.5°
C5	C6	O7	122.5°	120.0°
C6	C5	H4	107.4°	109.5°
C6	C5	H5	107.5°	109.5°
C5	C4	C1	112.9°	109.5°
C5	C4	H1	108.6°	109.5°
C5	C4	H2	108.6°	109.5°
C4	C5	H4	107.4°	109.5°
C4	C5	H5	107.4°	109.5°
C4	C1	O1	118.2°	120.0°
C4	C1	O3	119.9°	120.0°
C1	C4	H1	108.6°	109.5°
C1	C4	H2	108.6°	109.5°
O1	C1	O3	122.0°	120.0°
C1	O3	H3	109.5°	117.0°
H1	C4	H2	109.5°	109.5°
H4	C5	H5	109.5°	109.5°
H7	C13	H8	109.5°	109.5°
H9	C14	H10	109.5°	109.5°
H9	C14	H11	109.5°	109.5°
H10	C14	H11	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C13	O12	H7	120.2°	120.0°
C14	C13	O12	H8	120.1°	120.0°
C14	C13	O12	P10	65.8°	180.0°
C14	C13	H7	H8	119.5°	120.0°
C13	C14	H9	H10	120.0°	120.0°
C13	C14	H9	H11	120.0°	120.0°
C13	C14	H10	H11	120.0°	119.9°
C13	O12	P10	O15	33.5°	55.0°
C13	O12	P10	C6	152.3°	175.0°
C13	O12	P10	O11	98.2°	65.0°
O12	C13	H7	H8	119.5°	120.0°
O12	C13	C14	H9	180.0°	60.0°
O12	C13	C14	H10	60.0°	60.1°
O12	C13	C14	H11	60.0°	180.0°
O12	P10	O15	C6	113.3°	120.0°
O12	P10	O15	O11	119.2°	120.0°
O12	P10	C6	O11	110.4°	120.0°
O12	P10	C6	C5	140.2°	180.0°
O12	P10	C6	O7	40.1°	0.0°
O12	P10	O11	H6	118.4°	60.0°
P10	O12	C13	H7	54.3°	60.0°
P10	O12	C13	H8	174.0°	60.0°
O15	P10	C6	O11	137.5°	120.0°
O15	P10	C6	C5	28.1°	60.0°
O15	P10	C6	O7	152.2°	119.9°
O15	P10	O11	H6	0.0°	180.0°
P10	C6	C5	O7	179.8°	180.0°
P10	C6	C5	C4	163.4°	180.0°
P10	C6	C5	H4	42.3°	60.0°
P10	C6	C5	H5	75.4°	60.0°
C6	P10	O11	H6	131.2°	60.0°
O11	P10	C6	C5	109.5°	60.0°
O11	P10	C6	O7	70.3°	120.0°
C6	C5	C4	H4	121.1°	120.0°
C6	C5	C4	H5	121.2°	120.0°
C6	C5	C4	C1	75.7°	180.0°
C6	C5	C4	H1	163.8°	60.0°
C6	C5	C4	H2	44.8°	60.0°
C6	C5	H4	H5	116.4°	120.0°
C4	C5	C6	O7	16.3°	0.0°
C5	C4	C1	H1	120.5°	120.0°
C5	C4	C1	H2	120.5°	120.0°
C5	C4	C1	O1	28.8°	0.0°
C5	C4	C1	O3	152.6°	180.0°
C5	C4	H1	H2	118.4°	120.0°
C4	C5	H4	H5	116.4°	120.0°
O7	C6	C5	H4	137.5°	120.0°
O7	C6	C5	H5	104.8°	120.0°
C4	C1	O1	O3	178.5°	180.0°
C1	C4	H1	H2	118.4°	120.0°
C4	C1	O3	H3	178.5°	180.0°
C1	C4	C5	H4	45.4°	60.0°
C1	C4	C5	H5	163.1°	60.0°
O1	C1	C4	H1	149.3°	120.0°
O1	C1	C4	H2	91.7°	120.0°
O1	C1	O3	H3	0.0°	0.0°
O3	C1	C4	H1	32.1°	60.0°
O3	C1	C4	H2	86.8°	60.0°
H1	C4	C5	H4	75.1°	180.0°
H1	C4	C5	H5	42.6°	60.0°
H2	C4	C5	H4	166.0°	60.0°
H2	C4	C5	H5	76.3°	180.0°
H7	C13	C14	H9	59.8°	180.0°
H7	C13	C14	H10	60.2°	59.9°
H7	C13	C14	H11	179.8°	60.0°
H8	C13	C14	H9	59.8°	60.0°
H8	C13	C14	H10	179.9°	180.0°
H8	C13	C14	H11	60.2°	60.1°
H9	C14	H10	H11	120.0°	120.0°

Release date:	2019-09-11
Definition date:	2019-03-16
Last modified:	2019-09-06
Release status:	REL
Processing site:	RCSB
Derived from:	6R2C