VOV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C13	sing	0.00Å	1.55Å
C12	C09	sing	0.00Å	1.52Å
C13	C14	sing	0.00Å	1.53Å
O16	C14	doub	0.00Å	1.26Å
C14	O15	sing	0.00Å	1.25Å
C22	C19	sing	0.00Å	1.52Å
C11	C08	sing	0.00Å	1.53Å
C09	C08	doub	0.00Å	1.41Å
C09	C10	sing	0.00Å	1.38Å
C08	C07	sing	0.00Å	1.40Å
C17	C10	doub	0.00Å	1.37Å
C17	C18	sing	0.00Å	1.40Å
C10	N02	sing	0.00Å	1.37Å
C19	C18	sing	0.00Å	1.41Å
C19	C20	doub	0.00Å	1.40Å
C18	N03	doub	0.00Å	1.37Å
C07	N02	sing	0.00Å	1.38Å
C07	C06	doub	0.00Å	1.40Å
C20	C23	sing	0.00Å	1.51Å
C20	C21	sing	0.00Å	1.40Å
C23	C24	sing	0.00Å	1.52Å
N02	FE	sing	0.00Å	1.98Å
O27	C25	doub	0.00Å	1.24Å
N03	C21	sing	0.00Å	1.38Å
N03	FE	sing	0.00Å	2.01Å
C24	C25	sing	0.00Å	1.52Å
C06	C43	sing	0.00Å	1.39Å
C25	O26	sing	0.00Å	1.27Å
C21	C28	doub	0.00Å	1.39Å
FE	N05	sing	0.00Å	2.01Å
FE	N04	sing	0.00Å	2.00Å
C43	N05	doub	0.00Å	1.38Å
C43	C42	sing	0.00Å	1.40Å
C46	C45	doub	0.00Å	1.35Å
C28	C29	sing	0.00Å	1.41Å
N05	C40	sing	0.00Å	1.38Å
C45	C42	sing	0.00Å	1.53Å
C42	C41	doub	0.00Å	1.42Å
N04	C29	sing	0.00Å	1.38Å	Aromatic
N04	C32	sing	0.00Å	1.38Å	Aromatic
C29	C30	doub	0.00Å	1.41Å	Aromatic
C40	C41	sing	0.00Å	1.41Å
C40	C39	doub	0.00Å	1.41Å
C41	C44	sing	0.00Å	1.53Å
C32	C39	sing	0.00Å	1.40Å
C32	C31	doub	0.00Å	1.40Å	Aromatic
C30	C34	sing	0.00Å	1.54Å
C30	C31	sing	0.00Å	1.41Å	Aromatic
O37	C36	doub	0.00Å	1.25Å
C34	C35	sing	0.00Å	1.53Å
O38	C36	sing	0.00Å	1.24Å
C36	C35	sing	0.00Å	1.52Å
C31	C33	sing	0.00Å	1.54Å
C06	H061	sing	0.00Å	1.08Å
C11	H112	sing	0.00Å	1.10Å
C11	H111	sing	0.00Å	1.10Å
C11	H113	sing	0.00Å	1.10Å
C12	H122	sing	0.00Å	1.10Å
C12	H121	sing	0.00Å	1.10Å
C13	H132	sing	0.00Å	1.10Å
C13	H131	sing	0.00Å	1.10Å
C17	H171	sing	0.00Å	1.08Å
C22	H222	sing	0.00Å	1.10Å
C22	H223	sing	0.00Å	1.10Å
C22	H221	sing	0.00Å	1.10Å
C23	H232	sing	0.00Å	1.10Å
C23	H231	sing	0.00Å	1.10Å
C24	H242	sing	0.00Å	1.10Å
C24	H241	sing	0.00Å	1.10Å
C28	H281	sing	0.00Å	1.08Å
C33	H331	sing	0.00Å	1.10Å
C33	H332	sing	0.00Å	1.10Å
C33	H333	sing	0.00Å	1.10Å
C34	H341	sing	0.00Å	1.10Å
C34	H342	sing	0.00Å	1.10Å
C35	H352	sing	0.00Å	1.10Å
C35	H351	sing	0.00Å	1.10Å
C39	H391	sing	0.00Å	1.08Å
C44	H441	sing	0.00Å	1.10Å
C44	H442	sing	0.00Å	1.10Å
C44	H443	sing	0.00Å	1.10Å
C45	H451	sing	0.00Å	1.08Å
C46	H462	sing	0.00Å	1.08Å
C46	H461	sing	0.00Å	1.08Å
O15	H1	sing	0.00Å	0.95Å
O26	H2	sing	0.00Å	0.95Å
O38	H3	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	C12	C09	110.1°	90.0°
C12	C13	C14	116.6°	90.0°
C13	C12	H122	109.3°	90.0°
C13	C12	H121	109.3°	90.0°
C12	C13	H132	107.6°	90.0°
C12	C13	H131	107.7°	90.0°
C12	C09	C08	131.5°	90.0°
C12	C09	C10	122.7°	90.0°
C09	C12	H122	109.3°	90.0°
C09	C12	H121	109.3°	90.0°
C13	C14	O16	122.0°	90.0°
C13	C14	O15	113.4°	90.0°
C14	C13	H132	107.7°	90.0°
C14	C13	H131	107.7°	90.0°
O16	C14	O15	124.5°	90.0°
C14	O15	H1	109.5°	90.0°
C22	C19	C18	125.1°	90.0°
C22	C19	C20	128.1°	90.0°
C19	C22	H222	109.5°	90.0°
C19	C22	H223	109.4°	90.0°
C19	C22	H221	109.5°	90.0°
C11	C08	C09	127.8°	90.0°
C11	C08	C07	125.9°	90.0°
C08	C11	H112	109.5°	90.0°
C08	C11	H111	109.5°	90.0°
C08	C11	H113	109.4°	90.0°
C08	C09	C10	105.9°	90.0°
C09	C08	C07	106.3°	90.0°
C09	C10	C17	123.3°	90.0°
C09	C10	N02	112.6°	90.0°
C08	C07	N02	110.9°	90.0°
C08	C07	C06	126.2°	90.0°
C10	C17	C18	126.9°	90.0°
C17	C10	N02	124.1°	90.0°
C10	C17	H171	116.6°	90.0°
C17	C18	C19	125.8°	90.0°
C17	C18	N03	122.9°	90.0°
C18	C17	H171	116.5°	90.0°
C10	N02	C07	104.4°	90.0°
C10	N02	FE	125.1°	90.0°
C18	C19	C20	106.8°	90.0°
C19	C18	N03	111.2°	90.0°
C19	C20	C23	128.7°	90.0°
C19	C20	C21	105.0°	90.0°
C18	N03	C21	104.4°	90.0°
C18	N03	FE	125.1°	90.0°
N02	C07	C06	122.9°	90.0°
C07	N02	FE	130.5°	90.0°
C07	C06	C43	125.2°	90.0°
C07	C06	H061	117.4°	90.0°
C23	C20	C21	126.3°	90.0°
C20	C23	C24	107.2°	90.0°
C20	C23	H232	110.0°	90.0°
C20	C23	H231	110.0°	90.0°
C20	C21	N03	112.6°	90.0°
C20	C21	C28	124.3°	90.0°
C23	C24	C25	120.9°	90.0°
C24	C23	H232	110.1°	90.0°
C24	C23	H231	110.1°	90.0°
C23	C24	H242	106.5°	90.0°
C23	C24	H241	106.5°	90.0°
N02	FE	N03	91.8°	90.0°
N02	FE	N05	88.4°	90.0°
N02	FE	N04	170.3°	90.0°
O27	C25	C24	110.1°	90.0°
O27	C25	O26	126.4°	90.0°
C21	N03	FE	130.5°	90.0°
N03	C21	C28	123.1°	90.0°
N03	FE	N05	167.4°	90.0°
N03	FE	N04	87.6°	90.0°
C24	C25	O26	123.5°	90.0°
C25	C24	H242	106.6°	90.0°
C25	C24	H241	106.5°	90.0°
C06	C43	N05	124.3°	90.0°
C06	C43	C42	123.3°	90.0°
C43	C06	H061	117.4°	90.0°
C25	O26	H2	109.5°	90.0°
C21	C28	C29	125.3°	90.0°
C21	C28	H281	117.4°	90.0°
N05	FE	N04	90.0°	90.0°
FE	N05	C43	128.6°	90.0°
FE	N05	C40	127.1°	90.0°
FE	N04	C29	129.8°	90.0°
FE	N04	C32	126.5°	90.0°
N05	C43	C42	112.3°	90.0°
C43	N05	C40	104.3°	90.0°
C43	C42	C45	125.9°	90.0°
C43	C42	C41	105.8°	90.0°
C46	C45	C42	132.1°	90.0°
C46	C45	H451	113.9°	90.0°
C45	C46	H462	120.0°	90.0°
C45	C46	H461	120.0°	90.0°
C28	C29	N04	123.6°	90.0°
C28	C29	C30	123.6°	90.0°
C29	C28	H281	117.3°	90.0°
N05	C40	C41	112.2°	90.0°
N05	C40	C39	123.4°	90.0°
C45	C42	C41	128.3°	90.0°
C42	C45	H451	114.0°	90.0°
C42	C41	C40	105.4°	90.0°
C42	C41	C44	128.2°	90.0°
C29	N04	C32	103.7°	90.0°
N04	C29	C30	112.8°	90.0°
N04	C32	C39	124.5°	90.0°
N04	C32	C31	112.2°	90.0°
C29	C30	C34	124.4°	90.0°
C29	C30	C31	105.0°	90.0°
C41	C40	C39	124.4°	90.0°
C40	C41	C44	126.4°	90.0°
C40	C39	C32	124.7°	90.0°
C40	C39	H391	117.6°	90.0°
C41	C44	H441	109.5°	90.0°
C41	C44	H442	109.4°	90.0°
C41	C44	H443	109.4°	90.0°
C39	C32	C31	123.2°	90.0°
C32	C39	H391	117.6°	90.0°
C32	C31	C30	106.4°	90.0°
C32	C31	C33	121.7°	90.0°
C34	C30	C31	130.6°	90.0°
C30	C34	C35	114.9°	90.0°
C30	C34	H341	108.1°	90.0°
C30	C34	H342	108.1°	90.0°
C30	C31	C33	132.0°	90.0°
O37	C36	O38	127.5°	90.0°
O37	C36	C35	116.0°	90.0°
C34	C35	C36	111.7°	90.0°
C35	C34	H341	108.1°	90.0°
C35	C34	H342	108.1°	90.0°
C34	C35	H352	108.9°	90.0°
C34	C35	H351	108.9°	90.0°
O38	C36	C35	116.4°	90.0°
C36	O38	H3	109.5°	90.0°
C36	C35	H352	108.9°	90.0°
C36	C35	H351	108.9°	90.0°
C31	C33	H331	109.5°	90.0°
C31	C33	H332	109.5°	90.0°
C31	C33	H333	109.5°	90.0°
H112	C11	H111	109.5°	90.0°
H112	C11	H113	109.5°	90.0°
H111	C11	H113	109.5°	90.0°
H122	C12	H121	109.4°	90.0°
H132	C13	H131	109.5°	90.0°
H222	C22	H223	109.5°	90.0°
H222	C22	H221	109.5°	90.0°
H223	C22	H221	109.4°	90.0°
H232	C23	H231	109.4°	90.0°
H242	C24	H241	109.5°	90.0°
H331	C33	H332	109.5°	90.0°
H331	C33	H333	109.5°	90.0°
H332	C33	H333	109.4°	90.0°
H341	C34	H342	109.5°	90.0°
H352	C35	H351	109.5°	90.0°
H441	C44	H442	109.5°	90.0°
H441	C44	H443	109.5°	90.0°
H442	C44	H443	109.5°	90.0°
H462	C46	H461	120.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C12	C09	H122	120.1°	90.0°
C13	C12	C09	H121	120.1°	90.0°
C12	C13	C14	H132	121.0°	90.0°
C12	C13	C14	H131	121.0°	90.0°
C12	C13	C14	O16	175.2°	90.0°
C12	C13	C14	O15	3.9°	90.0°
C13	C12	C09	C08	66.0°	90.0°
C13	C12	C09	C10	112.2°	90.0°
C13	C12	H122	H121	119.7°	90.0°
C12	C13	H132	H131	116.7°	90.0°
C09	C12	C13	C14	89.0°	90.0°
C12	C09	C08	C11	1.1°	90.0°
C12	C09	C08	C10	178.5°	90.0°
C12	C09	C08	C07	178.8°	90.0°
C12	C09	C10	C17	3.7°	90.0°
C12	C09	C10	N02	178.9°	90.0°
C09	C12	H122	H121	119.7°	90.0°
C09	C12	C13	H132	150.0°	90.0°
C09	C12	C13	H131	32.1°	90.0°
C13	C14	O16	O15	178.9°	90.0°
C14	C13	C12	H122	150.9°	90.0°
C14	C13	C12	H121	31.2°	90.0°
C14	C13	H132	H131	116.8°	90.0°
C13	C14	O15	H1	179.0°	90.0°
O16	C14	C13	H132	54.1°	90.0°
O16	C14	C13	H131	63.8°	90.0°
O16	C14	O15	H1	0.0°	90.0°
O15	C14	C13	H132	124.9°	90.0°
O15	C14	C13	H131	117.2°	90.0°
C22	C19	C18	C17	3.0°	90.0°
C22	C19	C18	C20	178.5°	90.0°
C22	C19	C18	N03	180.0°	90.0°
C22	C19	C20	C23	2.7°	90.0°
C22	C19	C20	C21	179.6°	90.0°
C19	C22	H222	H223	120.0°	90.0°
C19	C22	H222	H221	120.0°	90.0°
C19	C22	H223	H221	120.0°	90.0°
C11	C08	C09	C07	179.9°	90.0°
C11	C08	C09	C10	179.6°	90.0°
C11	C08	C07	N02	179.6°	90.0°
C11	C08	C07	C06	1.5°	90.0°
C08	C11	H112	H111	120.0°	90.0°
C08	C11	H112	H113	120.0°	90.0°
C08	C11	H111	H113	120.0°	90.0°
C08	C09	C10	C17	177.7°	90.0°
C08	C09	C10	N02	0.2°	90.0°
C09	C08	C07	N02	0.3°	90.0°
C09	C08	C07	C06	178.7°	90.0°
C09	C08	C11	H112	180.0°	90.0°
C09	C08	C11	H111	60.0°	90.0°
C09	C08	C11	H113	60.0°	90.0°
C08	C09	C12	H122	54.1°	90.0°
C08	C09	C12	H121	173.9°	90.0°
C10	C09	C08	C07	0.3°	90.0°
C09	C10	C17	N02	177.2°	90.0°
C09	C10	C17	C18	161.0°	90.0°
C09	C10	N02	C07	0.0°	90.0°
C09	C10	N02	FE	177.2°	90.0°
C10	C09	C12	H122	127.7°	90.0°
C10	C09	C12	H121	7.9°	90.0°
C09	C10	C17	H171	19.0°	90.0°
C08	C07	N02	C10	0.2°	90.0°
C08	C07	N02	C06	179.0°	90.0°
C08	C07	N02	FE	176.8°	90.0°
C08	C07	C06	C43	177.2°	90.0°
C08	C07	C06	H061	2.8°	90.0°
C07	C08	C11	H112	0.2°	90.0°
C07	C08	C11	H111	119.9°	90.0°
C07	C08	C11	H113	120.2°	90.0°
C10	C17	C18	H171	180.0°	90.0°
C10	C17	C18	C19	162.4°	90.0°
C10	C17	C18	N03	20.8°	90.0°
C17	C10	N02	C07	177.5°	90.0°
C17	C10	N02	FE	5.3°	90.0°
C18	C17	C10	N02	16.2°	90.0°
C17	C18	C19	N03	177.1°	90.0°
C17	C18	C19	C20	178.5°	90.0°
C17	C18	N03	C21	177.5°	90.0°
C17	C18	N03	FE	3.5°	90.0°
C10	N02	C07	FE	177.0°	90.0°
C10	N02	C07	C06	178.8°	90.0°
C10	N02	FE	N03	15.2°	90.0°
C10	N02	FE	N05	177.5°	90.0°
C10	N02	FE	N04	101.9°	90.0°
N02	C10	C17	H171	163.8°	90.0°
C18	C19	C20	C23	178.8°	90.0°
C18	C19	C20	C21	1.9°	90.0°
C19	C18	N03	C21	0.3°	90.0°
C19	C18	N03	FE	179.3°	90.0°
C19	C18	C17	H171	17.6°	90.0°
C18	C19	C22	H222	180.0°	90.0°
C18	C19	C22	H223	60.0°	90.0°
C18	C19	C22	H221	60.0°	90.0°
C20	C19	C18	N03	1.4°	90.0°
C19	C20	C23	C21	176.3°	90.0°
C19	C20	C23	C24	86.7°	90.0°
C19	C20	C21	N03	1.9°	90.0°
C19	C20	C21	C28	177.1°	90.0°
C20	C19	C22	H222	1.8°	90.0°
C20	C19	C22	H223	118.2°	90.0°
C20	C19	C22	H221	121.8°	90.0°
C19	C20	C23	H232	153.6°	90.0°
C19	C20	C23	H231	32.9°	90.0°
C18	N03	C21	C20	1.0°	90.0°
C18	N03	FE	N02	10.9°	90.0°
C18	N03	C21	FE	179.0°	90.0°
C18	N03	C21	C28	178.0°	90.0°
C18	N03	FE	N05	101.7°	90.0°
C18	N03	FE	N04	178.8°	90.0°
N03	C18	C17	H171	159.2°	90.0°
C07	N02	FE	N03	168.4°	90.0°
N02	C07	C06	C43	4.0°	90.0°
C07	N02	FE	N05	1.0°	90.0°
C07	N02	FE	N04	81.7°	90.0°
N02	C07	C06	H061	176.0°	90.0°
C06	C07	N02	FE	4.2°	90.0°
C07	C06	C43	H061	180.0°	90.0°
C07	C06	C43	N05	0.2°	90.0°
C07	C06	C43	C42	178.0°	90.0°
C20	C23	C24	H232	119.6°	90.0°
C20	C23	C24	H231	119.6°	90.0°
C23	C20	C21	N03	178.9°	90.0°
C20	C23	C24	C25	179.0°	90.0°
C23	C20	C21	C28	0.1°	90.0°
C20	C23	H232	H231	121.0°	90.0°
C20	C23	C24	H242	59.4°	90.0°
C20	C23	C24	H241	57.4°	90.0°
C21	C20	C23	C24	89.6°	90.0°
C20	C21	N03	C28	179.0°	90.0°
C20	C21	N03	FE	178.0°	90.0°
C20	C21	C28	C29	178.5°	90.0°
C21	C20	C23	H232	30.1°	90.0°
C21	C20	C23	H231	150.8°	90.0°
C20	C21	C28	H281	1.5°	90.0°
C23	C24	C25	O27	139.3°	90.0°
C23	C24	C25	H242	121.6°	90.0°
C23	C24	C25	H241	121.6°	90.0°
C23	C24	C25	O26	39.9°	90.0°
C24	C23	H232	H231	121.1°	90.0°
C23	C24	H242	H241	114.8°	90.0°
N02	FE	N03	C21	167.8°	90.0°
N02	FE	N03	N05	90.8°	90.0°
N02	FE	N03	N04	170.3°	90.0°
N02	FE	N05	N04	170.4°	90.0°
N02	FE	N05	C43	2.6°	90.0°
N02	FE	N05	C40	178.7°	90.0°
N02	FE	N04	C29	88.0°	90.0°
N02	FE	N04	C32	94.9°	90.0°
O27	C25	C24	O26	179.2°	90.0°
O27	C25	C24	H242	17.7°	90.0°
O27	C25	C24	H241	99.2°	90.0°
O27	C25	O26	H2	0.0°	90.0°
C21	N03	FE	N05	77.1°	90.0°
C21	N03	FE	N04	2.4°	90.0°
N03	C21	C28	C29	0.4°	90.0°
N03	C21	C28	H281	179.6°	90.0°
FE	N03	C21	C28	3.0°	90.0°
N03	FE	N05	N04	79.2°	90.0°
N03	FE	N05	C43	88.5°	90.0°
N03	FE	N05	C40	90.1°	90.0°
N03	FE	N04	C29	1.0°	90.0°
N03	FE	N04	C32	178.1°	90.0°
C25	C24	C23	H232	59.3°	90.0°
C25	C24	C23	H231	61.4°	90.0°
C25	C24	H242	H241	114.9°	90.0°
C24	C25	O26	H2	179.1°	90.0°
C06	C43	N05	FE	3.4°	90.0°
C06	C43	N05	C42	178.4°	90.0°
C06	C43	N05	C40	177.7°	90.0°
C06	C43	C42	C45	1.2°	90.0°
C06	C43	C42	C41	177.9°	90.0°
O26	C25	C24	H242	161.5°	90.0°
O26	C25	C24	H241	81.6°	90.0°
C21	C28	C29	H281	180.0°	90.0°
C21	C28	C29	N04	3.9°	90.0°
C21	C28	C29	C30	178.5°	90.0°
FE	N05	C43	C40	178.9°	90.0°
FE	N05	C43	C42	178.3°	90.0°
N05	FE	N04	C29	168.6°	90.0°
N05	FE	N04	C32	14.3°	90.0°
FE	N05	C40	C41	178.4°	90.0°
FE	N05	C40	C39	2.6°	90.0°
N04	FE	N05	C43	167.8°	90.0°
FE	N04	C29	C28	3.9°	90.0°
N04	FE	N05	C40	10.9°	90.0°
FE	N04	C29	C32	177.6°	90.0°
FE	N04	C29	C30	178.2°	90.0°
FE	N04	C32	C39	4.6°	90.0°
FE	N04	C32	C31	178.1°	90.0°
N05	C43	C42	C45	179.6°	90.0°
N05	C43	C42	C41	0.5°	90.0°
C43	N05	C40	C41	0.5°	90.0°
C43	N05	C40	C39	178.4°	90.0°
N05	C43	C06	H061	179.8°	90.0°
C43	C42	C45	C46	98.9°	90.0°
C42	C43	N05	C40	0.7°	90.0°
C43	C42	C45	C41	178.9°	90.0°
C43	C42	C41	C40	0.2°	90.0°
C43	C42	C41	C44	179.9°	90.0°
C42	C43	C06	H061	2.0°	90.0°
C43	C42	C45	H451	81.2°	90.0°
C46	C45	C42	H451	180.0°	90.0°
C46	C45	C42	C41	82.3°	90.0°
C45	C46	H462	H461	180.0°	90.0°
C28	C29	N04	C30	177.9°	90.0°
C28	C29	N04	C32	178.5°	90.0°
C28	C29	C30	C34	3.1°	90.0°
C28	C29	C30	C31	178.4°	90.0°
N05	C40	C41	C42	0.2°	90.0°
N05	C40	C41	C39	178.9°	90.0°
N05	C40	C41	C44	179.7°	90.0°
N05	C40	C39	C32	19.2°	90.0°
N05	C40	C39	H391	160.8°	90.0°
C45	C42	C41	C40	179.2°	90.0°
C45	C42	C41	C44	0.8°	90.0°
C42	C45	C46	H462	180.0°	90.0°
C42	C45	C46	H461	0.0°	90.0°
C42	C41	C40	C44	179.9°	90.0°
C42	C41	C40	C39	178.7°	90.0°
C42	C41	C44	H441	180.0°	90.0°
C42	C41	C44	H442	60.0°	90.0°
C42	C41	C44	H443	60.0°	90.0°
C41	C42	C45	H451	97.7°	90.0°
C29	N04	C32	C39	177.7°	90.0°
C29	N04	C32	C31	0.4°	90.0°
N04	C29	C30	C34	179.1°	90.0°
N04	C29	C30	C31	0.6°	90.0°
N04	C29	C28	H281	176.1°	90.0°
C32	N04	C29	C30	0.6°	90.0°
N04	C32	C39	C40	15.5°	90.0°
N04	C32	C39	C31	177.0°	90.0°
N04	C32	C31	C30	0.1°	90.0°
N04	C32	C31	C33	179.9°	90.0°
N04	C32	C39	H391	164.5°	90.0°
C29	C30	C31	C32	0.3°	90.0°
C29	C30	C34	C31	178.1°	90.0°
C29	C30	C34	C35	150.9°	90.0°
C29	C30	C31	C33	179.7°	90.0°
C30	C29	C28	H281	1.5°	90.0°
C29	C30	C34	H341	30.1°	90.0°
C29	C30	C34	H342	88.3°	90.0°
C41	C40	C39	C32	162.0°	90.0°
C41	C40	C39	H391	18.0°	90.0°
C40	C41	C44	H441	0.1°	90.0°
C40	C41	C44	H442	120.1°	90.0°
C40	C41	C44	H443	119.9°	90.0°
C39	C40	C41	C44	1.3°	90.0°
C40	C39	C32	H391	180.0°	90.0°
C40	C39	C32	C31	161.5°	90.0°
C41	C44	H441	H442	120.0°	90.0°
C41	C44	H441	H443	120.0°	90.0°
C41	C44	H442	H443	120.0°	90.0°
C39	C32	C31	C30	177.5°	90.0°
C39	C32	C31	C33	2.6°	90.0°
C32	C31	C30	C34	178.7°	90.0°
C32	C31	C30	C33	180.0°	90.0°
C32	C31	C33	H331	90.0°	90.0°
C32	C31	C33	H332	150.0°	90.0°
C32	C31	C33	H333	30.0°	90.0°
C31	C32	C39	H391	18.4°	90.0°
C30	C34	C35	H341	120.8°	90.0°
C30	C34	C35	H342	120.8°	90.0°
C30	C34	C35	C36	74.2°	90.0°
C34	C30	C31	C33	1.3°	90.0°
C30	C34	H341	H342	117.5°	90.0°
C30	C34	C35	H352	165.4°	90.0°
C30	C34	C35	H351	46.1°	90.0°
C31	C30	C34	C35	31.0°	90.0°
C30	C31	C33	H331	90.0°	90.0°
C30	C31	C33	H332	30.0°	90.0°
C30	C31	C33	H333	150.0°	90.0°
C31	C30	C34	H341	151.8°	90.0°
C31	C30	C34	H342	89.8°	90.0°
O37	C36	C35	C34	71.4°	90.0°
O37	C36	O38	C35	178.2°	90.0°
O37	C36	C35	H352	168.3°	90.0°
O37	C36	C35	H351	48.9°	90.0°
O37	C36	O38	H3	0.0°	90.0°
C34	C35	C36	O38	107.0°	90.0°
C34	C35	C36	H352	120.3°	90.0°
C34	C35	C36	H351	120.3°	90.0°
C35	C34	H341	H342	117.5°	90.0°
C34	C35	H352	H351	118.9°	90.0°
O38	C36	C35	H352	13.3°	90.0°
O38	C36	C35	H351	132.6°	90.0°
C36	C35	C34	H341	46.6°	90.0°
C36	C35	C34	H342	165.0°	90.0°
C36	C35	H352	H351	119.0°	90.0°
C35	C36	O38	H3	178.2°	90.0°
C31	C33	H331	H332	120.0°	90.0°
C31	C33	H331	H333	120.0°	90.0°
C31	C33	H332	H333	120.0°	90.0°
H112	C11	H111	H113	120.0°	90.0°
H122	C12	C13	H132	29.9°	90.0°
H122	C12	C13	H131	88.0°	90.0°
H121	C12	C13	H132	89.9°	90.0°
H121	C12	C13	H131	152.2°	90.0°
H222	C22	H223	H221	120.0°	90.0°
H232	C23	C24	H242	179.1°	90.0°
H232	C23	C24	H241	62.3°	90.0°
H231	C23	C24	H242	60.2°	90.0°
H231	C23	C24	H241	177.0°	90.0°
H331	C33	H332	H333	120.0°	90.0°
H341	C34	C35	H352	73.8°	90.0°
H341	C34	C35	H351	166.9°	90.0°
H342	C34	C35	H352	44.6°	90.0°
H342	C34	C35	H351	74.7°	90.0°
H441	C44	H442	H443	120.0°	90.0°
H451	C45	C46	H462	0.0°	90.0°
H451	C45	C46	H461	180.0°	90.0°

Release date:	2019-07-10
Definition date:	2018-03-12
Last modified:	2019-07-05
Release status:	REL
Processing site:	RCSB
Derived from:	6FXQ