0VJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C06	doub	1.39Å	1.38Å	Aromatic
C01	C02	sing	1.38Å	1.59Å	Aromatic
C06	C05	sing	1.39Å	1.51Å	Aromatic
C02	C03	doub	1.39Å	1.39Å	Aromatic
O02	C10	doub	1.22Å	1.26Å
C05	C10	sing	1.48Å	1.51Å
C05	C04	doub	1.41Å	1.41Å	Aromatic
C03	C04	sing	1.39Å	1.52Å	Aromatic
C10	C09	sing	1.47Å	1.51Å
C04	C07	sing	1.48Å	1.55Å
C17	C16	doub	1.38Å	1.50Å	Aromatic
C17	C12	sing	1.38Å	1.55Å	Aromatic
C09	C11	sing	1.51Å	1.56Å
C09	C08	doub	1.35Å	1.39Å
C16	C15	sing	1.39Å	1.47Å	Aromatic
C07	C08	sing	1.48Å	1.55Å
C07	O03	doub	1.21Å	1.14Å
C11	C12	sing	1.51Å	1.42Å
C12	C13	doub	1.38Å	1.34Å	Aromatic
C08	O	sing	1.35Å	1.47Å
C15	O01	sing	1.36Å	1.51Å
C15	C14	doub	1.39Å	1.42Å	Aromatic
C13	C14	sing	1.38Å	1.46Å	Aromatic
O01	C	sing	1.43Å	1.41Å
C01	H1	sing	1.08Å	1.08Å
C02	H2	sing	1.08Å	1.08Å
C03	H3	sing	1.08Å	1.08Å
C06	H4	sing	1.08Å	1.08Å
C11	H5	sing	1.09Å	1.10Å
C11	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.08Å	1.08Å
C16	H9	sing	1.08Å	1.08Å
C17	H10	sing	1.08Å	1.08Å
O	H11	sing	0.97Å	0.95Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C	H14	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C06	C01	C02	119.4°	120.5°
C01	C06	C05	120.1°	119.8°
C06	C01	H1	120.3°	119.7°
C01	C06	H4	119.9°	120.1°
C01	C02	C03	121.2°	120.4°
C02	C01	H1	120.3°	119.8°
C01	C02	H2	119.4°	119.8°
C06	C05	C10	117.1°	120.8°
C06	C05	C04	119.5°	119.7°
C05	C06	H4	119.9°	120.1°
C02	C03	C04	116.8°	119.8°
C03	C02	H2	119.4°	119.8°
C02	C03	H3	121.6°	120.1°
O02	C10	C05	123.3°	120.0°
O02	C10	C09	119.6°	120.1°
C10	C05	C04	123.4°	119.5°
C05	C10	C09	117.1°	119.9°
C05	C04	C03	122.9°	119.8°
C05	C04	C07	116.8°	119.4°
C03	C04	C07	120.3°	120.8°
C04	C03	H3	121.6°	120.2°
C10	C09	C11	115.2°	119.5°
C10	C09	C08	124.5°	120.9°
C04	C07	C08	121.3°	119.6°
C04	C07	O03	117.3°	120.2°
C16	C17	C12	118.7°	120.1°
C17	C16	C15	117.7°	120.0°
C17	C16	H9	121.1°	120.0°
C16	C17	H10	120.7°	120.0°
C17	C12	C11	135.8°	119.9°
C17	C12	C13	120.4°	120.1°
C12	C17	H10	120.7°	120.0°
C11	C09	C08	120.3°	119.6°
C09	C11	C12	106.3°	109.5°
C09	C11	H5	110.2°	109.5°
C09	C11	H6	110.2°	109.5°
C09	C08	C07	116.8°	120.7°
C09	C08	O	121.8°	119.6°
C16	C15	O01	125.6°	120.1°
C16	C15	C14	119.1°	119.8°
C15	C16	H9	121.2°	120.0°
C08	C07	O03	121.4°	120.2°
C07	C08	O	121.4°	119.7°
C11	C12	C13	103.9°	120.0°
C12	C11	H5	110.2°	109.4°
C12	C11	H6	110.2°	109.5°
C12	C13	C14	120.5°	120.1°
C12	C13	H7	119.8°	119.9°
C08	O	H11	109.5°	114.0°
O01	C15	C14	115.3°	120.1°
C15	O01	C	123.1°	117.0°
C15	C14	C13	123.7°	120.0°
C15	C14	H8	118.1°	120.0°
C14	C13	H7	119.7°	120.0°
C13	C14	H8	118.2°	120.0°
O01	C	H12	109.5°	109.5°
O01	C	H13	109.4°	109.5°
O01	C	H14	109.4°	109.5°
H5	C11	H6	109.5°	109.5°
H12	C	H13	109.5°	109.5°
H12	C	H14	109.5°	109.5°
H13	C	H14	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C06	C01	C02	H1	180.0°	179.7°
C01	C06	C05	H4	180.0°	179.9°
C06	C01	C02	C03	0.7°	0.0°
C01	C06	C05	C10	178.8°	180.0°
C01	C06	C05	C04	0.6°	0.1°
C06	C01	C02	H2	179.3°	180.0°
C02	C01	C06	C05	1.4°	0.0°
C01	C02	C03	H2	180.0°	180.0°
C01	C02	C03	C04	0.7°	0.0°
C01	C02	C03	H3	179.3°	179.9°
C02	C01	C06	H4	178.6°	180.0°
C06	C05	C10	O02	0.6°	0.0°
C06	C05	C10	C04	179.4°	180.0°
C06	C05	C04	C03	0.9°	0.1°
C06	C05	C10	C09	179.0°	180.0°
C06	C05	C04	C07	179.2°	180.0°
C05	C06	C01	H1	178.6°	179.7°
C02	C03	C04	C05	1.6°	0.0°
C02	C03	C04	H3	180.0°	179.9°
C02	C03	C04	C07	178.6°	179.9°
C03	C02	C01	H1	179.3°	179.7°
O02	C10	C05	C09	178.4°	180.0°
O02	C10	C05	C04	178.8°	180.0°
O02	C10	C09	C11	0.6°	0.0°
O02	C10	C09	C08	178.3°	179.9°
C10	C05	C04	C03	179.6°	180.0°
C10	C05	C04	C07	0.2°	0.1°
C05	C10	C09	C11	179.0°	180.0°
C05	C10	C09	C08	0.2°	0.0°
C10	C05	C06	H4	1.1°	0.1°
C05	C04	C03	C07	179.8°	179.9°
C04	C05	C10	C09	0.4°	0.1°
C05	C04	C07	C08	0.6°	0.0°
C05	C04	C07	O03	180.0°	179.9°
C05	C04	C03	H3	178.4°	179.9°
C04	C05	C06	H4	179.4°	180.0°
C03	C04	C07	C08	179.6°	179.9°
C03	C04	C07	O03	0.2°	0.0°
C04	C03	C02	H2	179.3°	180.0°
C10	C09	C11	C08	178.9°	179.9°
C10	C09	C08	C07	0.9°	0.1°
C10	C09	C11	C12	93.8°	85.0°
C10	C09	C08	O	179.3°	180.0°
C10	C09	C11	H5	146.7°	34.9°
C10	C09	C11	H6	25.7°	155.0°
C04	C07	C08	C09	1.1°	0.0°
C04	C07	C08	O03	179.4°	179.9°
C04	C07	C08	O	179.1°	180.0°
C07	C04	C03	H3	1.4°	0.0°
C16	C17	C12	H10	180.0°	179.4°
C17	C16	C15	H9	180.0°	179.7°
C16	C17	C12	C11	179.3°	179.7°
C16	C17	C12	C13	0.9°	0.6°
C17	C16	C15	O01	179.9°	179.7°
C17	C16	C15	C14	0.4°	0.3°
C17	C12	C11	C09	37.1°	90.3°
C12	C17	C16	C15	0.7°	0.6°
C17	C12	C11	C13	179.8°	179.7°
C17	C12	C13	C14	0.0°	0.3°
C17	C12	C11	H5	156.6°	149.8°
C17	C12	C11	H6	82.4°	29.8°
C17	C12	C13	H7	180.0°	179.7°
C12	C17	C16	H9	179.3°	179.7°
C11	C09	C08	C07	179.7°	180.0°
C09	C11	C12	H5	119.5°	120.0°
C09	C11	C12	H6	119.5°	120.0°
C09	C11	C12	C13	143.2°	90.0°
C11	C09	C08	O	0.5°	0.1°
C09	C11	H5	H6	121.5°	120.1°
C09	C08	C07	O	179.8°	179.9°
C09	C08	C07	O03	179.5°	180.0°
C08	C09	C11	C12	85.1°	95.1°
C08	C09	C11	H5	34.4°	145.0°
C08	C09	C11	H6	155.4°	25.0°
C09	C08	O	H11	179.7°	180.0°
C16	C15	O01	C14	179.7°	180.0°
C16	C15	C14	C13	1.4°	0.0°
C16	C15	O01	C	126.2°	0.0°
C16	C15	C14	H8	178.6°	180.0°
C15	C16	C17	H10	179.3°	180.0°
C07	C08	O	H11	0.1°	0.1°
O03	C07	C08	O	0.3°	0.1°
C11	C12	C13	C14	179.8°	180.0°
C12	C11	H5	H6	121.4°	120.0°
C11	C12	C13	H7	0.1°	0.0°
C11	C12	C17	H10	0.7°	0.3°
C12	C13	C14	C15	1.2°	0.0°
C12	C13	C14	H7	180.0°	180.0°
C13	C12	C11	H5	23.7°	30.0°
C13	C12	C11	H6	97.3°	150.0°
C12	C13	C14	H8	178.8°	180.0°
C13	C12	C17	H10	179.1°	180.0°
O01	C15	C14	C13	178.9°	180.0°
O01	C15	C14	H8	1.1°	0.0°
O01	C15	C16	H9	0.1°	0.0°
C15	O01	C	H12	180.0°	60.0°
C15	O01	C	H13	60.0°	60.0°
C15	O01	C	H14	60.0°	180.0°
C15	C14	C13	H8	180.0°	180.0°
C14	C15	O01	C	53.5°	180.0°
C15	C14	C13	H7	178.8°	180.0°
C14	C15	C16	H9	179.6°	180.0°
O01	C	H12	H13	120.0°	120.1°
O01	C	H12	H14	120.0°	120.0°
O01	C	H13	H14	120.0°	120.0°
H1	C01	C02	H2	0.7°	0.3°
H1	C01	C06	H4	1.4°	0.3°
H2	C02	C03	H3	0.7°	0.1°
H7	C13	C14	H8	1.2°	0.0°
H9	C16	C17	H10	0.7°	0.4°
H12	C	H13	H14	120.0°	120.0°

Release date:	2013-05-22
Definition date:	2012-07-12
Last modified:	2013-05-17
Release status:	REL
Processing site:	RCSB
Derived from:	4FZB