J2Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C8	sing	1.43Å	1.43Å
C8	C9	sing	1.55Å	1.52Å
C8	C7	sing	1.52Å	1.51Å
O1	C7	doub	1.21Å	1.23Å
C9	C10	sing	1.53Å	1.51Å
C7	C5	sing	1.50Å	1.50Å
C6	C5	sing	1.53Å	1.53Å
C10	C5	sing	1.56Å	1.51Å
C10	C12	sing	1.52Å	1.51Å
C5	C4	sing	1.51Å	1.53Å
C14	C12	sing	1.53Å	1.52Å
C14	C15	sing	1.53Å	1.53Å
C12	C2	sing	1.53Å	1.52Å
C4	C3	sing	1.54Å	1.54Å
C15	C16	sing	1.51Å	1.52Å
C2	C3	sing	1.52Å	1.54Å
C2	C21	sing	1.50Å	1.48Å
C16	C21	doub	1.38Å	1.40Å	Aromatic
C16	C17	sing	1.39Å	1.40Å	Aromatic
C21	C20	sing	1.39Å	1.39Å	Aromatic
C17	C18	doub	1.38Å	1.39Å	Aromatic
C20	C19	doub	1.38Å	1.39Å	Aromatic
C18	C19	sing	1.39Å	1.39Å	Aromatic
C18	O3	sing	1.36Å	1.36Å
C8	H8	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C9	H19	sing	1.09Å	1.10Å
C9	H29	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C6	H16	sing	1.09Å	1.10Å
C6	H26	sing	1.09Å	1.10Å
C6	H36	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å
C3	H23	sing	1.09Å	1.10Å
C4	H14	sing	1.09Å	1.10Å
C4	H24	sing	1.09Å	1.10Å
C14	H114	sing	1.09Å	1.10Å
C14	H214	sing	1.09Å	1.10Å
C15	H115	sing	1.09Å	1.10Å
C15	H215	sing	1.09Å	1.10Å
C17	H17	sing	1.08Å	1.08Å
O3	HO3	sing	0.97Å	0.95Å
C19	H19A	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C8	C9	107.4°	110.0°
O2	C8	C7	113.6°	110.1°
O2	C8	H8	106.6°	110.1°
C8	O2	HO2	109.5°	114.0°
C9	C8	C7	104.3°	106.6°
C8	C9	C10	104.8°	102.5°
C9	C8	H8	115.5°	110.0°
C8	C9	H19	111.1°	110.8°
C8	C9	H29	112.1°	110.8°
C8	C7	O1	125.4°	127.0°
C8	C7	C5	109.0°	106.0°
C7	C8	H8	109.6°	110.1°
O1	C7	C5	125.5°	127.0°
C9	C10	C5	105.5°	100.9°
C9	C10	C12	116.2°	115.9°
C10	C9	H19	111.1°	110.8°
C10	C9	H29	112.1°	110.9°
C9	C10	H10	107.8°	110.9°
C7	C5	C6	106.4°	109.3°
C7	C5	C10	99.2°	103.4°
C7	C5	C4	118.8°	117.3°
C6	C5	C10	110.6°	109.4°
C6	C5	C4	110.5°	109.0°
C5	C6	H16	109.5°	109.4°
C5	C6	H26	109.5°	109.5°
C5	C6	H36	109.5°	109.5°
C5	C10	C12	109.6°	106.3°
C10	C5	C4	110.6°	108.2°
C5	C10	H10	114.6°	111.2°
C10	C12	C14	110.6°	111.8°
C10	C12	C2	104.5°	106.9°
C12	C10	H10	103.5°	111.2°
C10	C12	H12	112.6°	109.9°
C5	C4	C3	109.8°	108.0°
C5	C4	H14	109.4°	109.8°
C5	C4	H24	109.3°	109.8°
C12	C14	C15	112.8°	108.2°
C14	C12	C2	111.3°	107.9°
C14	C12	H12	106.0°	110.3°
C12	C14	H114	108.4°	109.7°
C12	C14	H214	107.6°	109.7°
C14	C15	C16	114.0°	111.2°
C15	C14	H114	108.4°	109.7°
C15	C14	H214	107.6°	109.7°
C14	C15	H115	108.0°	109.1°
C14	C15	H215	107.0°	109.1°
C12	C2	C3	113.7°	111.4°
C12	C2	C21	109.6°	110.3°
C2	C12	H12	111.9°	110.0°
C12	C2	H2	107.2°	107.9°
C4	C3	C2	114.4°	110.9°
C4	C3	H13	107.9°	109.4°
C4	C3	H23	106.7°	108.7°
C3	C4	H14	109.3°	110.2°
C3	C4	H24	109.3°	109.1°
C15	C16	C21	122.1°	122.9°
C15	C16	C17	118.9°	117.6°
C16	C15	H115	108.0°	109.1°
C16	C15	H215	107.0°	109.1°
C3	C2	C21	111.6°	111.9°
C3	C2	H2	105.0°	107.9°
C2	C3	H13	107.9°	109.3°
C2	C3	H23	106.7°	109.3°
C2	C21	C16	122.2°	121.9°
C2	C21	C20	117.5°	118.3°
C21	C2	H2	109.5°	107.2°
C21	C16	C17	119.0°	119.5°
C16	C21	C20	120.3°	119.8°
C16	C17	C18	120.3°	120.6°
C16	C17	H17	119.9°	119.7°
C21	C20	C19	120.4°	120.7°
C21	C20	H20	119.8°	119.6°
C17	C18	C19	120.1°	119.7°
C17	C18	O3	121.7°	120.1°
C18	C17	H17	119.8°	119.7°
C20	C19	C18	119.9°	119.6°
C20	C19	H19A	120.1°	120.1°
C19	C20	H20	119.8°	119.7°
C19	C18	O3	118.2°	120.2°
C18	C19	H19A	120.0°	120.2°
C18	O3	HO3	109.5°	114.0°
H19	C9	H29	105.9°	110.8°
H16	C6	H26	109.5°	109.4°
H16	C6	H36	109.4°	109.5°
H26	C6	H36	109.5°	109.5°
H13	C3	H23	113.4°	109.3°
H14	C4	H24	109.7°	109.8°
H114	C14	H214	112.1°	109.7°
H115	C15	H215	113.1°	109.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C8	C9	C7	120.9°	119.3°
O2	C8	C9	H8	118.8°	121.4°
O2	C8	C7	H8	119.1°	121.5°
O2	C8	C7	O1	47.1°	56.8°
O2	C8	C9	C10	110.7°	95.7°
O2	C8	C7	C5	132.8°	123.5°
O2	C8	C9	H19	9.3°	22.5°
O2	C8	C9	H29	127.5°	145.9°
C9	C8	C7	H8	124.2°	119.2°
C9	C8	C7	O1	163.8°	176.1°
C8	C9	C10	H19	120.0°	118.2°
C8	C9	C10	H29	121.8°	118.3°
C9	C8	C7	C5	16.1°	4.2°
C8	C9	C10	C5	32.8°	41.1°
C8	C9	C10	C12	154.5°	155.3°
C9	C8	O2	HO2	126.2°	180.0°
C8	C9	H19	H29	121.9°	123.4°
C8	C9	C10	H10	90.0°	76.8°
C8	C7	O1	C5	179.9°	179.6°
C7	C8	C9	C10	10.1°	23.6°
C8	C7	C5	C6	79.6°	86.3°
C8	C7	C5	C10	35.3°	30.1°
C8	C7	C5	C4	155.0°	149.0°
C7	C8	O2	HO2	118.9°	62.8°
C7	C8	C9	H19	130.1°	141.8°
C7	C8	C9	H29	111.6°	94.7°
O1	C7	C5	C6	100.5°	93.3°
O1	C7	C5	C10	144.7°	150.2°
O1	C7	C5	C4	24.9°	31.3°
O1	C7	C8	H8	72.0°	64.7°
C9	C10	C5	C7	41.1°	44.7°
C9	C10	C5	C6	70.5°	71.7°
C9	C10	C5	C12	125.8°	121.3°
C9	C10	C5	H10	118.4°	117.6°
C9	C10	C12	H10	117.9°	127.7°
C9	C10	C5	C4	166.8°	169.7°
C9	C10	C12	C14	53.1°	65.6°
C9	C10	C12	C2	173.0°	176.6°
C10	C9	C8	H8	130.5°	142.9°
C10	C9	H19	H29	121.9°	123.5°
C9	C10	C12	H12	65.2°	57.3°
C7	C5	C6	C10	106.9°	112.6°
C7	C5	C6	C4	130.3°	129.3°
C7	C5	C10	C4	125.7°	125.0°
C7	C5	C10	C12	166.9°	166.0°
C7	C5	C4	C3	166.0°	179.3°
C5	C7	C8	H8	108.1°	115.0°
C7	C5	C10	H10	77.3°	72.9°
C7	C5	C6	H16	158.1°	61.5°
C7	C5	C6	H26	81.9°	178.5°
C7	C5	C6	H36	38.1°	58.5°
C7	C5	C4	H14	74.0°	60.4°
C7	C5	C4	H24	46.1°	60.4°
C6	C5	C10	C4	122.8°	118.6°
C6	C5	C10	C12	55.3°	49.5°
C6	C5	C4	C3	70.6°	55.9°
C6	C5	C10	H10	171.1°	170.6°
C5	C6	H16	H26	120.0°	120.0°
C5	C6	H16	H36	120.0°	120.1°
C5	C6	H26	H36	120.0°	120.1°
C6	C5	C4	H14	49.4°	64.4°
C6	C5	C4	H24	169.5°	174.7°
C5	C10	C12	H10	122.6°	121.1°
C5	C10	C12	C14	172.6°	176.7°
C5	C10	C12	C2	67.5°	65.4°
C10	C5	C4	C3	52.2°	63.0°
C5	C10	C9	H19	152.8°	159.3°
C5	C10	C9	H29	89.0°	77.2°
C10	C5	C6	H16	95.1°	174.1°
C10	C5	C6	H26	24.9°	66.0°
C10	C5	C6	H36	144.9°	54.1°
C5	C10	C12	H12	54.2°	53.9°
C10	C5	C4	H14	172.2°	176.8°
C10	C5	C4	H24	67.6°	55.9°
C12	C10	C5	C4	67.4°	69.0°
C10	C12	C14	C2	115.7°	117.2°
C10	C12	C14	H12	122.3°	122.6°
C10	C12	C14	C15	173.8°	172.7°
C10	C12	C2	H12	122.2°	119.3°
C10	C12	C2	C3	58.2°	60.4°
C10	C12	C2	C21	176.1°	174.6°
C12	C10	C9	H19	85.6°	86.4°
C12	C10	C9	H29	32.7°	37.0°
C10	C12	C2	H2	57.4°	57.9°
C10	C12	C14	H114	53.8°	67.7°
C10	C12	C14	H214	67.7°	53.0°
C5	C4	C3	H14	120.0°	120.0°
C5	C4	C3	H24	119.9°	119.4°
C5	C4	C3	C2	43.4°	56.4°
C4	C5	C10	H10	48.4°	52.1°
C4	C5	C6	H16	27.7°	67.8°
C4	C5	C6	H26	147.8°	52.1°
C4	C5	C6	H36	92.3°	172.2°
C5	C4	C3	H13	76.7°	176.9°
C5	C4	C3	H23	161.2°	63.8°
C5	C4	H14	H24	119.9°	120.9°
C12	C14	C15	H114	120.0°	119.7°
C12	C14	C15	H214	118.5°	119.7°
C14	C12	C2	H12	118.4°	120.4°
C12	C14	C15	C16	29.0°	48.8°
C14	C12	C2	C3	177.7°	179.3°
C14	C12	C2	C21	56.7°	54.3°
C14	C12	C10	H10	64.8°	62.1°
C14	C12	C2	H2	62.1°	62.5°
C12	C14	H114	H214	118.6°	120.6°
C12	C14	C15	H115	149.0°	169.3°
C12	C14	C15	H215	89.0°	71.6°
C15	C14	C12	C2	58.1°	70.1°
C14	C15	C16	H115	120.0°	120.5°
C14	C15	C16	H215	118.0°	120.4°
C14	C15	C16	C21	1.4°	15.2°
C14	C15	C16	C17	179.7°	164.9°
C15	C14	C12	H12	63.9°	50.0°
C15	C14	H114	H214	118.6°	120.6°
C14	C15	H115	H215	118.2°	119.1°
C12	C2	C3	C4	48.8°	55.8°
C12	C2	C3	C21	124.6°	124.0°
C12	C2	C3	H2	116.9°	118.3°
C12	C2	C21	H2	117.3°	117.2°
C12	C2	C21	C16	29.3°	20.6°
C12	C2	C21	C20	152.8°	159.5°
C2	C12	C10	H10	55.1°	55.7°
C12	C2	C3	H13	71.2°	176.4°
C12	C2	C3	H23	166.7°	64.0°
C2	C12	C14	H114	62.0°	49.5°
C2	C12	C14	H214	176.6°	170.2°
C4	C3	C2	H13	120.0°	120.6°
C4	C3	C2	H23	117.8°	119.8°
C4	C3	C2	C21	173.4°	179.8°
C4	C3	C2	H2	68.0°	62.5°
C4	C3	H13	H23	118.0°	118.9°
C3	C4	H14	H24	119.8°	120.2°
C15	C16	C21	C2	1.9°	0.8°
C15	C16	C21	C17	178.9°	180.0°
C15	C16	C21	C20	179.7°	179.4°
C15	C16	C17	C18	179.9°	179.6°
C16	C15	C14	H114	91.0°	70.9°
C16	C15	C14	H214	147.5°	168.5°
C16	C15	H115	H215	118.1°	119.1°
C15	C16	C17	H17	0.0°	0.3°
C3	C2	C21	H2	115.8°	118.2°
C3	C2	C21	C16	156.2°	145.3°
C3	C2	C21	C20	25.9°	34.8°
C3	C2	C12	H12	63.9°	58.9°
C2	C3	H13	H23	118.0°	119.6°
C2	C3	C4	H14	163.4°	176.3°
C2	C3	C4	H24	76.5°	63.0°
C2	C21	C16	C20	177.8°	179.8°
C2	C21	C16	C17	179.2°	179.2°
C2	C21	C20	C19	179.1°	179.4°
C21	C2	C12	H12	61.7°	66.1°
C21	C2	C3	H13	53.4°	59.6°
C21	C2	C3	H23	68.7°	60.0°
C2	C21	C20	H20	1.0°	0.5°
C21	C16	C17	C18	1.1°	0.3°
C16	C21	C20	C19	1.2°	0.5°
C16	C21	C2	H2	88.0°	96.5°
C21	C16	C15	H115	121.4°	135.6°
C21	C16	C15	H215	116.7°	105.2°
C21	C16	C17	H17	178.9°	179.7°
C16	C21	C20	H20	178.8°	179.6°
C17	C16	C21	C20	1.4°	0.6°
C16	C17	C18	H17	180.0°	180.0°
C16	C17	C18	C19	0.6°	0.1°
C16	C17	C18	O3	179.7°	179.9°
C17	C16	C15	H115	59.7°	44.4°
C17	C16	C15	H215	62.2°	74.7°
C21	C20	C19	H20	180.0°	179.9°
C21	C20	C19	C18	0.7°	0.1°
C20	C21	C2	H2	89.9°	83.3°
C21	C20	C19	H19A	179.3°	180.0°
C17	C18	C19	C20	0.4°	0.2°
C17	C18	C19	O3	179.7°	180.0°
C17	C18	O3	HO3	13.8°	90.0°
C17	C18	C19	H19A	179.6°	179.7°
C20	C19	C18	H19A	180.0°	179.9°
C20	C19	C18	O3	179.9°	179.8°
C19	C18	C17	H17	179.4°	179.9°
C19	C18	O3	HO3	165.9°	90.0°
C18	C19	C20	H20	179.4°	180.0°
O3	C18	C17	H17	0.3°	0.1°
O3	C18	C19	H19A	0.1°	0.3°
H8	C8	O2	HO2	1.9°	58.7°
H8	C8	C9	H19	109.5°	98.9°
H8	C8	C9	H29	8.7°	24.5°
H19	C9	C10	H10	30.0°	41.4°
H29	C9	C10	H10	148.2°	164.9°
H10	C10	C12	H12	176.9°	175.0°
H16	C6	H26	H36	120.0°	120.0°
H12	C12	C2	H2	179.5°	177.2°
H12	C12	C14	H114	176.1°	169.7°
H12	C12	C14	H214	54.7°	69.7°
H2	C2	C3	H13	172.0°	58.1°
H2	C2	C3	H23	49.8°	177.7°
H13	C3	C4	H14	43.4°	63.1°
H13	C3	C4	H24	163.5°	57.6°
H23	C3	C4	H14	78.8°	56.2°
H23	C3	C4	H24	41.3°	176.8°
H114	C14	C15	H115	29.0°	49.6°
H114	C14	C15	H215	151.0°	168.7°
H214	C14	C15	H115	92.5°	71.1°
H214	C14	C15	H215	29.5°	48.1°
H19A	C19	C20	H20	0.7°	0.1°

Definition date:	2009-06-26
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3HLV