ZGR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C4	sing	1.36Å	1.36Å
C4	C5	sing	1.39Å	1.39Å	Aromatic
C4	C3	doub	1.39Å	1.38Å	Aromatic
C5	C6	doub	1.39Å	1.39Å	Aromatic
C3	C2	sing	1.38Å	1.38Å	Aromatic
C2P	C3P	sing	1.51Å	1.51Å
C2P	C1P	doub	1.33Å	1.33Å
C3P	C4P	sing	1.53Å	1.53Å
C6	C1P	sing	1.48Å	1.48Å
C6	C1	sing	1.41Å	1.40Å	Aromatic
C2	C1	doub	1.40Å	1.38Å	Aromatic
C2	O2	sing	1.36Å	1.35Å
C1	C12	sing	1.47Å	1.52Å
C4P	C5P	sing	1.53Å	1.53Å
C12	O12	doub	1.22Å	1.25Å
C12	O13	sing	1.35Å	1.24Å
C5P	C6P	sing	1.51Å	1.51Å
C6P	O6P	doub	1.21Å	1.22Å
C6P	C7P	sing	1.51Å	1.51Å
C7P	C8P	sing	1.53Å	1.53Å
O10	C10	sing	1.43Å	1.43Å
C10	C9P	sing	1.53Å	1.52Å
C10	C11	sing	1.53Å	1.52Å
C9P	C8P	sing	1.53Å	1.53Å
C3	H1	sing	1.08Å	1.08Å
O2	H2	sing	0.97Å	0.95Å
O4	H3	sing	0.97Å	0.95Å
C5	H4	sing	1.08Å	1.08Å
C7P	H5	sing	1.09Å	1.10Å
C7P	H6	sing	1.09Å	1.10Å
C8P	H7	sing	1.09Å	1.10Å
C8P	H8	sing	1.09Å	1.10Å
C9P	H9	sing	1.09Å	1.10Å
C9P	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
O10	H12	sing	0.97Å	0.95Å
C11	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å
C5P	H16	sing	1.09Å	1.10Å
C5P	H17	sing	1.09Å	1.10Å
C4P	H18	sing	1.09Å	1.10Å
C4P	H19	sing	1.09Å	1.10Å
C3P	H20	sing	1.09Å	1.10Å
C3P	H21	sing	1.09Å	1.10Å
C2P	H22	sing	1.08Å	1.08Å
C1P	H23	sing	1.08Å	1.08Å
O13	H24	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C4	C5	121.6°	119.8°
O4	C4	C3	119.5°	119.7°
C4	O4	H3	109.5°	114.0°
C5	C4	C3	118.9°	120.5°
C4	C5	C6	120.4°	120.1°
C4	C5	H4	119.8°	120.0°
C4	C3	C2	120.5°	120.3°
C4	C3	H1	119.7°	119.8°
C5	C6	C1P	116.6°	120.2°
C5	C6	C1	120.6°	119.7°
C6	C5	H4	119.8°	119.9°
C3	C2	C1	121.5°	119.9°
C3	C2	O2	118.7°	120.0°
C2	C3	H1	119.8°	119.9°
C3P	C2P	C1P	119.9°	120.1°
C2P	C3P	C4P	109.9°	109.5°
C2P	C3P	H20	109.4°	109.4°
C2P	C3P	H21	109.4°	109.5°
C3P	C2P	H22	120.1°	120.0°
C2P	C1P	C6	118.2°	120.0°
C1P	C2P	H22	120.1°	119.9°
C2P	C1P	H23	120.9°	119.9°
C3P	C4P	C5P	113.7°	109.5°
C3P	C4P	H18	108.4°	109.4°
C3P	C4P	H19	108.4°	109.5°
C4P	C3P	H20	109.4°	109.4°
C4P	C3P	H21	109.4°	109.5°
C1P	C6	C1	122.7°	120.1°
C6	C1P	H23	120.9°	120.0°
C6	C1	C2	118.1°	119.5°
C6	C1	C12	124.7°	120.2°
C1	C2	O2	119.8°	120.1°
C2	C1	C12	117.3°	120.2°
C2	O2	H2	109.5°	114.0°
C1	C12	O12	123.1°	120.1°
C1	C12	O13	118.2°	120.0°
C4P	C5P	C6P	111.1°	109.5°
C4P	C5P	H16	109.1°	109.5°
C4P	C5P	H17	109.1°	109.4°
C5P	C4P	H18	108.4°	109.5°
C5P	C4P	H19	108.4°	109.5°
O12	C12	O13	118.6°	119.9°
C12	O13	H24	109.5°	117.0°
C5P	C6P	O6P	120.5°	120.0°
C5P	C6P	C7P	119.7°	120.0°
C6P	C5P	H16	109.0°	109.5°
C6P	C5P	H17	109.1°	109.4°
O6P	C6P	C7P	119.8°	120.0°
C6P	C7P	C8P	110.3°	109.5°
C6P	C7P	H5	109.3°	109.4°
C6P	C7P	H6	109.3°	109.5°
C7P	C8P	C9P	112.3°	109.5°
C8P	C7P	H5	109.2°	109.5°
C8P	C7P	H6	109.3°	109.6°
C7P	C8P	H7	108.8°	109.5°
C7P	C8P	H8	108.8°	109.5°
O10	C10	C9P	109.3°	109.5°
O10	C10	C11	108.9°	109.5°
O10	C10	H11	110.1°	109.5°
C10	O10	H12	109.5°	114.0°
C9P	C10	C11	110.8°	109.4°
C10	C9P	C8P	113.7°	109.5°
C10	C9P	H9	108.4°	109.5°
C10	C9P	H10	108.4°	109.5°
C9P	C10	H11	108.8°	109.4°
C11	C10	H11	108.9°	109.5°
C10	C11	H13	109.5°	109.5°
C10	C11	H14	109.5°	109.5°
C10	C11	H15	109.5°	109.5°
C9P	C8P	H7	108.8°	109.4°
C9P	C8P	H8	108.8°	109.5°
C8P	C9P	H9	108.4°	109.4°
C8P	C9P	H10	108.4°	109.4°
H5	C7P	H6	109.5°	109.4°
H7	C8P	H8	109.4°	109.5°
H9	C9P	H10	109.5°	109.5°
H13	C11	H14	109.5°	109.5°
H13	C11	H15	109.4°	109.4°
H14	C11	H15	109.5°	109.5°
H16	C5P	H17	109.5°	109.5°
H18	C4P	H19	109.5°	109.5°
H20	C3P	H21	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C4	C5	C3	179.8°	179.8°
O4	C4	C5	C6	179.7°	180.0°
O4	C4	C3	C2	179.7°	179.7°
O4	C4	C3	H1	0.3°	0.2°
O4	C4	C5	H4	0.3°	0.2°
C4	C5	C6	H4	180.0°	179.8°
C5	C4	C3	C2	0.6°	0.1°
C4	C5	C6	C1P	179.7°	179.9°
C4	C5	C6	C1	0.8°	0.5°
C5	C4	C3	H1	179.4°	180.0°
C5	C4	O4	H3	180.0°	90.0°
C3	C4	C5	C6	0.6°	0.2°
C4	C3	C2	H1	180.0°	179.9°
C4	C3	C2	C1	0.8°	0.1°
C4	C3	C2	O2	179.3°	179.9°
C3	C4	O4	H3	0.3°	89.8°
C3	C4	C5	H4	179.4°	180.0°
C5	C6	C1P	C2P	0.1°	0.1°
C5	C6	C1P	C1	179.5°	179.4°
C5	C6	C1	C2	1.0°	0.5°
C5	C6	C1	C12	179.5°	179.7°
C5	C6	C1P	H23	179.9°	180.0°
C3	C2	C1	C6	1.0°	0.2°
C3	C2	C1	O2	179.9°	180.0°
C3	C2	C1	C12	179.6°	180.0°
C3	C2	O2	H2	180.0°	90.0°
C3P	C2P	C1P	H22	180.0°	179.9°
C2P	C3P	C4P	H20	120.1°	119.9°
C2P	C3P	C4P	H21	120.1°	120.1°
C3P	C2P	C1P	C6	179.6°	180.0°
C2P	C3P	C4P	C5P	39.9°	180.0°
C2P	C3P	C4P	H18	80.7°	60.0°
C2P	C3P	C4P	H19	160.6°	59.9°
C2P	C3P	H20	H21	119.8°	120.0°
C3P	C2P	C1P	H23	0.4°	0.1°
C1P	C2P	C3P	C4P	122.4°	124.9°
C2P	C1P	C6	H23	180.0°	179.9°
C2P	C1P	C6	C1	179.7°	179.5°
C1P	C2P	C3P	H20	117.5°	5.0°
C1P	C2P	C3P	H21	2.3°	115.0°
C3P	C4P	C5P	H18	120.6°	119.9°
C3P	C4P	C5P	H19	120.6°	120.0°
C3P	C4P	C5P	C6P	68.0°	179.9°
C3P	C4P	C5P	H16	52.2°	60.0°
C3P	C4P	C5P	H17	171.8°	60.0°
C3P	C4P	H18	H19	118.0°	120.0°
C4P	C3P	H20	H21	119.8°	120.0°
C4P	C3P	C2P	H22	57.6°	55.0°
C1P	C6	C1	C2	179.5°	180.0°
C1P	C6	C1	C12	1.0°	0.3°
C1P	C6	C5	H4	0.3°	0.3°
C6	C1P	C2P	H22	0.4°	0.1°
C6	C1	C2	C12	178.6°	179.7°
C6	C1	C2	O2	179.2°	179.8°
C6	C1	C12	O12	21.6°	90.3°
C6	C1	C12	O13	162.3°	89.7°
C1	C6	C5	H4	179.2°	179.7°
C1	C6	C1P	H23	0.3°	0.6°
C2	C1	C12	O12	159.9°	90.0°
C2	C1	C12	O13	16.2°	90.0°
C1	C2	C3	H1	179.2°	180.0°
C1	C2	O2	H2	0.1°	90.0°
O2	C2	C1	C12	0.6°	0.0°
O2	C2	C3	H1	0.7°	0.0°
C1	C12	O12	O13	176.1°	180.0°
C1	C12	O13	H24	176.3°	180.0°
C4P	C5P	C6P	H16	120.2°	120.0°
C4P	C5P	C6P	H17	120.3°	120.0°
C4P	C5P	C6P	O6P	37.7°	0.0°
C4P	C5P	C6P	C7P	143.4°	180.0°
C4P	C5P	H16	H17	119.3°	120.0°
C5P	C4P	H18	H19	118.1°	120.1°
C5P	C4P	C3P	H20	160.0°	60.0°
C5P	C4P	C3P	H21	80.1°	60.0°
O12	C12	O13	H24	0.0°	0.1°
C5P	C6P	O6P	C7P	178.9°	179.9°
C5P	C6P	C7P	C8P	175.3°	180.0°
C5P	C6P	C7P	H5	64.6°	60.0°
C5P	C6P	C7P	H6	55.1°	59.9°
C6P	C5P	H16	H17	119.2°	120.0°
C6P	C5P	C4P	H18	171.4°	60.0°
C6P	C5P	C4P	H19	52.7°	60.0°
O6P	C6P	C7P	C8P	3.6°	0.0°
O6P	C6P	C7P	H5	116.5°	120.1°
O6P	C6P	C7P	H6	123.7°	120.1°
O6P	C6P	C5P	H16	158.0°	120.0°
O6P	C6P	C5P	H17	82.5°	120.0°
C6P	C7P	C8P	H5	120.1°	120.0°
C6P	C7P	C8P	H6	120.1°	120.1°
C6P	C7P	C8P	C9P	100.6°	180.0°
C6P	C7P	H5	H6	119.6°	119.9°
C6P	C7P	C8P	H7	138.9°	60.1°
C6P	C7P	C8P	H8	19.8°	59.9°
C7P	C6P	C5P	H16	23.1°	59.9°
C7P	C6P	C5P	H17	96.3°	60.1°
C7P	C8P	C9P	C10	76.5°	180.0°
C7P	C8P	C9P	H7	120.4°	120.0°
C7P	C8P	C9P	H8	120.4°	120.0°
C8P	C7P	H5	H6	119.6°	120.1°
C7P	C8P	H7	H8	118.7°	120.0°
C7P	C8P	C9P	H9	162.9°	60.0°
C7P	C8P	C9P	H10	44.2°	60.0°
O10	C10	C9P	C11	120.0°	120.0°
O10	C10	C9P	H11	120.2°	120.1°
O10	C10	C11	H11	120.1°	120.1°
O10	C10	C9P	C8P	173.6°	65.0°
O10	C10	C9P	H9	65.8°	55.0°
O10	C10	C9P	H10	53.0°	175.0°
O10	C10	C11	H13	180.0°	59.9°
O10	C10	C11	H14	60.0°	180.0°
O10	C10	C11	H15	60.0°	60.0°
C9P	C10	C11	H11	119.7°	120.0°
C10	C9P	C8P	H9	120.6°	120.0°
C10	C9P	C8P	H10	120.6°	120.0°
C10	C9P	C8P	H7	163.1°	60.0°
C10	C9P	C8P	H8	44.0°	60.0°
C10	C9P	H9	H10	118.1°	120.1°
C9P	C10	O10	H12	82.4°	180.0°
C9P	C10	C11	H13	59.8°	60.0°
C9P	C10	C11	H14	179.8°	60.0°
C9P	C10	C11	H15	60.2°	180.0°
C11	C10	C9P	C8P	66.4°	175.0°
C11	C10	C9P	H9	54.2°	65.0°
C11	C10	C9P	H10	173.0°	55.0°
C11	C10	O10	H12	156.4°	60.1°
C10	C11	H13	H14	120.0°	120.0°
C10	C11	H13	H15	120.0°	120.0°
C10	C11	H14	H15	120.0°	120.0°
C9P	C8P	C7P	H5	19.5°	60.0°
C9P	C8P	C7P	H6	139.2°	60.0°
C9P	C8P	H7	H8	118.7°	120.0°
C8P	C9P	H9	H10	118.1°	119.9°
C8P	C9P	C10	H11	53.4°	55.0°
H5	C7P	C8P	H7	101.0°	180.0°
H5	C7P	C8P	H8	139.9°	60.0°
H6	C7P	C8P	H7	18.8°	60.0°
H6	C7P	C8P	H8	100.3°	180.0°
H7	C8P	C9P	H9	42.5°	180.0°
H7	C8P	C9P	H10	76.3°	60.0°
H8	C8P	C9P	H9	76.6°	60.0°
H8	C8P	C9P	H10	164.6°	180.0°
H9	C9P	C10	H11	174.0°	175.0°
H10	C9P	C10	H11	67.2°	65.0°
H11	C10	O10	H12	37.0°	60.0°
H11	C10	C11	H13	59.9°	180.0°
H11	C10	C11	H14	60.1°	59.9°
H11	C10	C11	H15	179.9°	60.1°
H13	C11	H14	H15	120.0°	120.0°
H16	C5P	C4P	H18	68.4°	179.9°
H16	C5P	C4P	H19	172.9°	60.0°
H17	C5P	C4P	H18	51.2°	60.0°
H17	C5P	C4P	H19	67.6°	180.0°
H18	C4P	C3P	H20	39.4°	180.0°
H18	C4P	C3P	H21	159.2°	60.0°
H19	C4P	C3P	H20	79.3°	60.0°
H19	C4P	C3P	H21	40.5°	180.0°
H20	C3P	C2P	H22	62.4°	175.0°
H21	C3P	C2P	H22	177.7°	65.1°
H22	C2P	C1P	H23	179.6°	180.0°

Release date:	2016-06-29
Definition date:	2015-07-01
Last modified:	2016-06-24
Release status:	REL
Processing site:	PDBJ
Derived from:	5C8X