J3Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C9	sing	1.55Å	1.53Å
C8	C7	sing	1.53Å	1.51Å
O1	C7	doub	1.21Å	1.23Å
C9	C10	sing	1.53Å	1.52Å
C7	C5	sing	1.50Å	1.51Å
C6	C5	sing	1.53Å	1.52Å
C5	C10	sing	1.55Å	1.51Å
C5	C4	sing	1.51Å	1.52Å
C10	C12	sing	1.51Å	1.52Å
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	1.53Å
C15	C16	sing	1.51Å	1.52Å
C2	C3	sing	1.52Å	1.54Å
C2	C21	sing	1.50Å	1.49Å
C16	C21	doub	1.38Å	1.39Å	Aromatic
C16	C17	sing	1.39Å	1.41Å	Aromatic
C21	C20	sing	1.39Å	1.40Å	Aromatic
C17	C18	doub	1.38Å	1.39Å	Aromatic
C20	C19	doub	1.38Å	1.39Å	Aromatic
C18	C19	sing	1.39Å	1.40Å	Aromatic
C18	O3	sing	1.36Å	1.38Å
C2	H2	sing	1.09Å	1.10Å
C4	H14	sing	1.09Å	1.10Å
C4	H24	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
O3	HO3	sing	0.97Å	0.95Å
C8	H18	sing	1.09Å	1.10Å
C8	H28	sing	1.09Å	1.10Å
C9	H19	sing	1.09Å	1.10Å
C9	H29	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å
C3	H23	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
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)
C9	C8	C7	103.0°	106.6°
C8	C9	C10	105.2°	102.6°
C9	C8	H18	111.7°	110.0°
C9	C8	H28	113.0°	110.0°
C8	C9	H19	110.9°	110.8°
C8	C9	H29	111.8°	110.8°
C8	C7	O1	123.2°	127.0°
C8	C7	C5	111.4°	105.9°
C7	C8	H18	111.7°	110.0°
C7	C8	H28	113.1°	110.0°
O1	C7	C5	125.3°	127.0°
C9	C10	C5	105.9°	101.0°
C9	C10	C12	118.7°	115.9°
C10	C9	H19	110.9°	110.9°
C10	C9	H29	111.9°	110.8°
C9	C10	H10	105.9°	110.9°
C7	C5	C6	110.0°	108.9°
C7	C5	C10	99.5°	103.6°
C7	C5	C4	116.5°	117.3°
C6	C5	C10	111.7°	109.3°
C6	C5	C4	111.3°	109.3°
C5	C6	H16	109.5°	109.4°
C5	C6	H26	109.5°	109.5°
C5	C6	H36	109.5°	109.5°
C10	C5	C4	107.2°	108.1°
C5	C10	C12	110.0°	106.3°
C5	C10	H10	115.3°	111.0°
C5	C4	C3	109.4°	107.7°
C5	C4	H14	109.5°	109.8°
C5	C4	H24	109.5°	109.9°
C10	C12	C14	112.0°	111.8°
C10	C12	C2	103.4°	107.1°
C12	C10	H10	101.4°	111.2°
C10	C12	H12	112.5°	109.7°
C12	C14	C15	115.1°	108.2°
C14	C12	C2	111.4°	107.9°
C14	C12	H12	104.7°	110.5°
C12	C14	H114	107.6°	109.7°
C12	C14	H214	106.3°	109.7°
C14	C15	C16	115.0°	111.2°
C15	C14	H114	107.6°	109.8°
C15	C14	H214	106.3°	109.7°
C14	C15	H115	107.7°	109.1°
C14	C15	H215	106.4°	109.1°
C12	C2	C3	110.8°	111.4°
C12	C2	C21	112.0°	110.1°
C12	C2	H2	107.9°	107.3°
C2	C12	H12	113.1°	109.8°
C4	C3	C2	114.3°	110.6°
C3	C4	H14	109.5°	109.8°
C3	C4	H24	109.5°	109.8°
C4	C3	H13	107.9°	109.3°
C4	C3	H23	106.7°	109.2°
C15	C16	C21	122.4°	122.9°
C15	C16	C17	117.8°	117.6°
C16	C15	H115	107.7°	109.1°
C16	C15	H215	106.4°	109.1°
C3	C2	C21	112.6°	111.9°
C3	C2	H2	107.3°	108.0°
C2	C3	H13	107.9°	109.3°
C2	C3	H23	106.8°	109.3°
C2	C21	C16	121.0°	121.9°
C2	C21	C20	119.4°	118.2°
C21	C2	H2	106.0°	108.0°
C21	C16	C17	119.8°	119.5°
C16	C21	C20	119.6°	119.9°
C16	C17	C18	120.4°	120.6°
C16	C17	H17	119.8°	119.7°
C21	C20	C19	120.4°	120.6°
C21	C20	H20	119.8°	119.7°
C17	C18	C19	119.4°	119.8°
C17	C18	O3	121.0°	120.1°
C18	C17	H17	119.8°	119.7°
C20	C19	C18	120.3°	119.6°
C20	C19	H19A	119.9°	120.2°
C19	C20	H20	119.8°	119.7°
C19	C18	O3	119.6°	120.1°
C18	C19	H19A	119.9°	120.2°
C18	O3	HO3	109.5°	114.0°
H14	C4	H24	109.4°	109.7°
H16	C6	H26	109.5°	109.5°
H16	C6	H36	109.4°	109.5°
H26	C6	H36	109.4°	109.5°
H18	C8	H28	104.6°	110.1°
H19	C9	H29	106.2°	110.8°
H13	C3	H23	113.4°	109.2°
H114	C14	H214	114.0°	109.7°
H115	C15	H215	113.9°	109.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C8	C7	H18	120.0°	119.3°
C9	C8	C7	H28	122.3°	119.3°
C9	C8	C7	O1	174.0°	176.0°
C8	C9	C10	H19	120.0°	118.3°
C8	C9	C10	H29	121.6°	118.3°
C9	C8	C7	C5	10.3°	4.0°
C8	C9	C10	C5	34.1°	40.8°
C8	C9	C10	C12	158.3°	155.2°
C9	C8	H18	H28	122.6°	121.4°
C8	C9	H19	H29	121.7°	123.4°
C8	C9	C10	H10	88.7°	76.9°
C8	C7	O1	C5	175.0°	180.0°
C7	C8	C9	C10	14.2°	23.5°
C8	C7	C5	C6	87.0°	86.5°
C8	C7	C5	C10	30.3°	29.7°
C8	C7	C5	C4	145.1°	148.8°
C7	C8	H18	H28	122.6°	121.4°
C7	C8	C9	H19	134.3°	141.9°
C7	C8	C9	H29	107.4°	94.8°
O1	C7	C5	C6	88.5°	93.5°
O1	C7	C5	C10	154.1°	150.3°
O1	C7	C5	C4	39.4°	31.2°
O1	C7	C8	H18	66.0°	56.7°
O1	C7	C8	H28	51.7°	64.7°
C9	C10	C5	C7	38.5°	44.3°
C9	C10	C5	C6	77.6°	71.6°
C9	C10	C5	C12	129.4°	121.3°
C9	C10	C5	H10	116.7°	117.6°
C9	C10	C5	C4	160.2°	169.5°
C9	C10	C12	H10	115.4°	127.8°
C9	C10	C12	C14	47.0°	65.6°
C9	C10	C12	C2	167.0°	176.5°
C10	C9	C8	H18	134.2°	95.8°
C10	C9	C8	H28	108.1°	142.8°
C10	C9	H19	H29	121.8°	123.4°
C9	C10	C12	H12	70.6°	57.4°
C7	C5	C6	C10	109.5°	112.5°
C7	C5	C6	C4	130.7°	129.3°
C7	C5	C10	C4	121.7°	125.2°
C7	C5	C10	C12	167.9°	165.6°
C7	C5	C4	C3	166.1°	179.8°
C7	C5	C4	H14	73.9°	60.2°
C7	C5	C4	H24	46.1°	60.6°
C7	C5	C6	H16	160.2°	57.9°
C7	C5	C6	H26	79.7°	62.1°
C7	C5	C6	H36	40.2°	177.9°
C5	C7	C8	H18	109.7°	123.3°
C5	C7	C8	H28	132.7°	115.3°
C7	C5	C10	H10	78.3°	73.3°
C6	C5	C10	C4	122.2°	118.9°
C6	C5	C10	C12	51.8°	49.7°
C6	C5	C4	C3	66.7°	55.3°
C6	C5	C4	H14	53.3°	64.3°
C6	C5	C4	H24	173.3°	174.9°
C5	C6	H16	H26	120.0°	120.0°
C5	C6	H16	H36	120.0°	120.0°
C5	C6	H26	H36	120.0°	120.0°
C6	C5	C10	H10	165.7°	170.7°
C5	C10	C12	H10	122.5°	120.9°
C5	C10	C12	C14	169.1°	176.9°
C5	C10	C12	C2	70.8°	65.2°
C10	C5	C4	C3	55.8°	63.6°
C10	C5	C4	H14	175.7°	176.8°
C10	C5	C4	H24	64.3°	56.0°
C10	C5	C6	H16	90.3°	54.6°
C10	C5	C6	H26	29.7°	174.6°
C10	C5	C6	H36	149.7°	65.3°
C5	C10	C9	H19	154.2°	159.1°
C5	C10	C9	H29	87.5°	77.5°
C5	C10	C12	H12	51.5°	53.9°
C4	C5	C10	C12	70.4°	69.2°
C5	C4	C3	H14	120.0°	119.6°
C5	C4	C3	H24	120.0°	119.7°
C5	C4	C3	C2	49.0°	56.9°
C5	C4	H14	H24	120.0°	120.9°
C4	C5	C6	H16	29.5°	172.8°
C4	C5	C6	H26	149.6°	67.2°
C4	C5	C6	H36	90.5°	52.8°
C4	C5	C10	H10	43.4°	51.8°
C5	C4	C3	H13	71.0°	177.3°
C5	C4	C3	H23	166.8°	63.4°
C10	C12	C14	C2	115.3°	117.4°
C10	C12	C14	H12	122.1°	122.6°
C10	C12	C14	C15	165.6°	172.3°
C10	C12	C2	H12	121.9°	119.1°
C10	C12	C2	C3	59.4°	60.2°
C10	C12	C2	C21	174.0°	175.1°
C10	C12	C2	H2	57.8°	57.9°
C12	C10	C9	H19	81.7°	86.6°
C12	C10	C9	H29	36.7°	36.9°
C10	C12	C14	H114	45.6°	68.0°
C10	C12	C14	H214	76.9°	52.6°
C12	C14	C15	H114	120.0°	119.7°
C12	C14	C15	H214	117.5°	119.7°
C14	C12	C2	H12	117.6°	120.5°
C12	C14	C15	C16	21.7°	48.6°
C14	C12	C2	C3	179.9°	179.3°
C14	C12	C2	C21	53.5°	54.6°
C14	C12	C2	H2	62.7°	62.6°
C14	C12	C10	H10	68.4°	62.2°
C12	C14	H114	H214	117.7°	120.6°
C12	C14	C15	H115	141.8°	169.1°
C12	C14	C15	H215	95.8°	71.8°
C15	C14	C12	C2	50.3°	70.3°
C14	C15	C16	H115	120.0°	120.4°
C14	C15	C16	H215	117.5°	120.5°
C14	C15	C16	C21	3.5°	14.9°
C14	C15	C16	C17	175.8°	165.2°
C15	C14	C12	H12	72.2°	49.7°
C15	C14	H114	H214	117.7°	120.6°
C14	C15	H115	H215	117.7°	119.1°
C12	C2	C3	C4	52.4°	55.9°
C12	C2	C3	C21	126.3°	123.7°
C12	C2	C3	H2	117.5°	117.6°
C12	C2	C21	H2	117.4°	116.8°
C12	C2	C21	C16	29.8°	20.9°
C12	C2	C21	C20	151.0°	159.4°
C2	C12	C10	H10	51.6°	55.7°
C12	C2	C3	H13	67.6°	176.3°
C12	C2	C3	H23	170.2°	64.3°
C2	C12	C14	H114	69.6°	49.4°
C2	C12	C14	H214	167.8°	170.1°
C4	C3	C2	H13	120.0°	120.4°
C4	C3	C2	H23	117.8°	120.3°
C4	C3	C2	C21	178.6°	179.7°
C4	C3	C2	H2	65.2°	61.7°
C3	C4	H14	H24	120.0°	120.8°
C4	C3	H13	H23	118.0°	119.4°
C15	C16	C21	C2	0.9°	0.7°
C15	C16	C21	C17	179.3°	179.9°
C15	C16	C21	C20	180.0°	179.5°
C15	C16	C17	C18	179.8°	179.6°
C16	C15	C14	H114	98.2°	71.1°
C16	C15	C14	H214	139.2°	168.3°
C16	C15	H115	H215	117.7°	119.1°
C15	C16	C17	H17	0.2°	0.4°
C3	C2	C21	H2	117.0°	118.7°
C3	C2	C21	C16	155.5°	145.3°
C3	C2	C21	C20	25.4°	34.9°
C2	C3	C4	H14	169.0°	176.5°
C2	C3	C4	H24	71.0°	62.7°
C3	C2	C12	H12	62.5°	58.9°
C2	C3	H13	H23	118.0°	119.4°
C2	C21	C16	C20	179.1°	179.8°
C2	C21	C16	C17	179.8°	179.4°
C2	C21	C20	C19	179.6°	179.6°
C21	C2	C12	H12	64.1°	65.9°
C21	C2	C3	H13	58.7°	60.0°
C21	C2	C3	H23	63.5°	59.4°
C2	C21	C20	H20	0.4°	0.5°
C21	C16	C17	C18	0.8°	0.2°
C16	C21	C20	C19	0.4°	0.2°
C16	C21	C2	H2	87.5°	96.0°
C21	C16	C15	H115	116.5°	135.3°
C21	C16	C15	H215	121.0°	105.5°
C21	C16	C17	H17	179.2°	179.7°
C16	C21	C20	H20	179.6°	179.7°
C17	C16	C21	C20	0.7°	0.3°
C16	C17	C18	H17	180.0°	180.0°
C16	C17	C18	C19	0.8°	0.0°
C16	C17	C18	O3	179.7°	179.9°
C17	C16	C15	H115	64.2°	44.8°
C17	C16	C15	H215	58.3°	74.3°
C21	C20	C19	H20	180.0°	179.9°
C21	C20	C19	C18	0.3°	0.1°
C20	C21	C2	H2	91.6°	83.8°
C21	C20	C19	H19A	179.7°	179.9°
C17	C18	C19	C20	0.5°	0.2°
C17	C18	C19	O3	179.5°	180.0°
C17	C18	O3	HO3	8.1°	90.0°
C17	C18	C19	H19A	179.5°	179.8°
C20	C19	C18	H19A	180.0°	180.0°
C20	C19	C18	O3	180.0°	179.8°
C19	C18	O3	HO3	171.5°	90.0°
C19	C18	C17	H17	179.3°	180.0°
C18	C19	C20	H20	179.6°	180.0°
O3	C18	C17	H17	0.3°	0.0°
O3	C18	C19	H19A	0.0°	0.2°
H2	C2	C12	H12	179.7°	176.9°
H2	C2	C3	H13	174.9°	58.7°
H2	C2	C3	H23	52.6°	178.1°
H14	C4	C3	H13	49.0°	63.1°
H14	C4	C3	H23	73.2°	56.2°
H24	C4	C3	H13	169.0°	57.6°
H24	C4	C3	H23	46.8°	177.0°
H16	C6	H26	H36	120.0°	120.0°
H18	C8	C9	H19	105.7°	22.6°
H18	C8	C9	H29	12.6°	145.9°
H28	C8	C9	H19	11.9°	98.9°
H28	C8	C9	H29	130.2°	24.5°
H19	C9	C10	H10	31.3°	41.4°
H29	C9	C10	H10	149.7°	164.8°
H10	C10	C12	H12	174.0°	174.8°
H12	C12	C14	H114	167.8°	169.4°
H12	C12	C14	H214	45.2°	69.9°
H114	C14	C15	H115	21.8°	49.4°
H114	C14	C15	H215	144.3°	168.5°
H214	C14	C15	H115	100.8°	71.3°
H214	C14	C15	H215	21.7°	47.8°
H19A	C19	C20	H20	0.4°	0.0°

Definition date:	2009-07-07
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	3HM1