Obsolete: 2SP

2SP was replaced with 3PH on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1P	P	sing	1.61Å	1.54Å
O1P	H1P	sing	0.97Å	0.95Å
P	O2P	doub	1.48Å	1.54Å
P	O4P	sing	1.61Å	1.54Å
P	O3P	sing	1.61Å	1.57Å
O4P	H4P	sing	0.97Å	0.95Å
O3P	C1	sing	1.43Å	1.48Å
C1	C2	sing	1.53Å	1.54Å
C1	H11	sing	1.09Å	1.11Å
C1	H12	sing	1.09Å	1.12Å
C2	O2	sing	1.45Å	1.51Å
C2	C3	sing	1.53Å	1.54Å
C2	H2	sing	1.09Å	1.11Å
O2	C31	sing	1.34Å	1.53Å
C31	O31	doub	1.21Å	1.26Å
C31	C32	sing	1.51Å	1.55Å
C32	C33	sing	1.53Å	1.55Å
C32	H321	sing	1.09Å	1.11Å
C32	H322	sing	1.09Å	1.12Å
C33	C34	sing	1.53Å	1.54Å
C33	H331	sing	1.09Å	1.11Å
C33	H332	sing	1.09Å	1.11Å
C34	C35	sing	1.53Å	1.53Å
C34	H341	sing	1.09Å	1.11Å
C34	H342	sing	1.09Å	1.12Å
C35	C36	sing	1.53Å	1.54Å
C35	H351	sing	1.09Å	1.12Å
C35	H352	sing	1.09Å	1.12Å
C36	C37	sing	1.53Å	1.53Å
C36	H361	sing	1.09Å	1.11Å
C36	H362	sing	1.09Å	1.11Å
C37	C38	sing	1.53Å	1.52Å
C37	H371	sing	1.09Å	1.12Å
C37	H372	sing	1.09Å	1.11Å
C38	C39	sing	1.53Å	1.52Å
C38	H381	sing	1.09Å	1.11Å
C38	H382	sing	1.09Å	1.11Å
C39	C40	sing	1.53Å	1.53Å
C39	H391	sing	1.09Å	1.11Å
C39	H392	sing	1.09Å	1.12Å
C40	C41	sing	1.53Å	1.54Å
C40	H401	sing	1.09Å	1.11Å
C40	H402	sing	1.09Å	1.11Å
C41	C42	sing	1.53Å	1.54Å
C41	H411	sing	1.09Å	1.11Å
C41	H412	sing	1.09Å	1.12Å
C42	C43	sing	1.53Å	1.53Å
C42	H421	sing	1.09Å	1.12Å
C42	H422	sing	1.09Å	1.11Å
C43	C44	sing	1.53Å	1.53Å
C43	H431	sing	1.09Å	1.12Å
C43	H432	sing	1.09Å	1.12Å
C44	C45	sing	1.53Å	1.52Å
C44	H441	sing	1.09Å	1.12Å
C44	H442	sing	1.09Å	1.11Å
C45	C46	sing	1.53Å	1.54Å
C45	H451	sing	1.09Å	1.12Å
C45	H452	sing	1.09Å	1.12Å
C46	C47	sing	1.53Å	1.55Å
C46	H461	sing	1.09Å	1.11Å
C46	H462	sing	1.09Å	1.11Å
C47	C48	sing	1.53Å	1.53Å
C47	H471	sing	1.09Å	1.12Å
C47	H472	sing	1.09Å	1.11Å
C48	H481	sing	1.09Å	1.12Å
C48	H482	sing	1.09Å	1.11Å
C48	H483	sing	1.09Å	1.11Å
C3	O3	sing	1.45Å	1.46Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.11Å
O3	C11	sing	1.34Å	1.49Å
C11	O11	doub	1.21Å	1.25Å
C11	C12	sing	1.51Å	1.56Å
C12	C13	sing	1.53Å	1.54Å
C12	H121	sing	1.09Å	1.11Å
C12	H122	sing	1.09Å	1.12Å
C13	C14	sing	1.53Å	1.53Å
C13	H131	sing	1.09Å	1.12Å
C13	H132	sing	1.09Å	1.11Å
C14	C15	sing	1.53Å	1.50Å
C14	H141	sing	1.09Å	1.12Å
C14	H142	sing	1.09Å	1.12Å
C15	C16	sing	1.53Å	1.52Å
C15	H151	sing	1.09Å	1.12Å
C15	H152	sing	1.09Å	1.12Å
C16	C17	sing	1.53Å	1.53Å
C16	H161	sing	1.09Å	1.12Å
C16	H162	sing	1.09Å	1.12Å
C17	C18	sing	1.53Å	1.55Å
C17	H171	sing	1.09Å	1.12Å
C17	H172	sing	1.09Å	1.11Å
C18	C19	sing	1.53Å	1.54Å
C18	H181	sing	1.09Å	1.11Å
C18	H182	sing	1.09Å	1.12Å
C19	C20	sing	1.53Å	1.53Å
C19	H191	sing	1.09Å	1.11Å
C19	H192	sing	1.09Å	1.12Å
C20	C21	sing	1.53Å	1.52Å
C20	H201	sing	1.09Å	1.12Å
C20	H202	sing	1.09Å	1.12Å
C21	C22	sing	1.53Å	1.51Å
C21	H211	sing	1.09Å	1.11Å
C21	H212	sing	1.09Å	1.12Å
C22	C23	sing	1.53Å	1.52Å
C22	H221	sing	1.09Å	1.12Å
C22	H222	sing	1.09Å	1.11Å
C23	C24	sing	1.53Å	1.53Å
C23	H231	sing	1.09Å	1.11Å
C23	H232	sing	1.09Å	1.12Å
C24	C25	sing	1.53Å	1.52Å
C24	H241	sing	1.09Å	1.12Å
C24	H242	sing	1.09Å	1.12Å
C25	C26	sing	1.53Å	1.52Å
C25	H251	sing	1.09Å	1.12Å
C25	H252	sing	1.09Å	1.11Å
C26	C27	sing	1.53Å	1.53Å
C26	H261	sing	1.09Å	1.12Å
C26	H262	sing	1.09Å	1.11Å
C27	C28	sing	1.53Å	1.52Å
C27	H271	sing	1.09Å	1.11Å
C27	H272	sing	1.09Å	1.11Å
C28	H281	sing	1.09Å	1.11Å
C28	H282	sing	1.09Å	1.11Å
C28	H283	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
P	O1P	H1P	108.9°	106.8°
O1P	P	O2P	108.8°	109.5°
O1P	P	O4P	109.1°	109.5°
O1P	P	O3P	110.4°	109.4°
O2P	P	O4P	108.8°	109.5°
O2P	P	O3P	110.0°	109.5°
O4P	P	O3P	109.7°	109.4°
P	O4P	H4P	109.1°	106.8°
P	O3P	C1	113.0°	106.8°
O3P	C1	C2	112.6°	109.5°
O3P	C1	H11	111.0°	109.5°
O3P	C1	H12	111.0°	109.4°
C2	C1	H11	111.1°	109.6°
C2	C1	H12	111.1°	109.5°
C1	C2	O2	108.2°	109.5°
C1	C2	C3	114.3°	109.5°
C1	C2	H2	108.1°	109.5°
H11	C1	H12	99.2°	109.4°
O2	C2	C3	112.6°	109.4°
O2	C2	H2	110.0°	109.4°
C2	O2	C31	125.6°	120.0°
C3	C2	H2	103.4°	109.4°
C2	C3	O3	113.2°	109.5°
C2	C3	H31	110.9°	109.5°
C2	C3	H32	110.8°	109.5°
O2	C31	O31	119.5°	120.0°
O2	C31	C32	120.9°	120.0°
O31	C31	C32	119.6°	120.0°
C31	C32	C33	114.0°	109.4°
C31	C32	H321	110.5°	109.5°
C31	C32	H322	110.5°	109.5°
C33	C32	H321	110.6°	109.5°
C33	C32	H322	110.6°	109.5°
C32	C33	C34	113.4°	109.5°
C32	C33	H331	110.8°	109.5°
C32	C33	H332	110.8°	109.5°
H321	C32	H322	99.7°	109.5°
C34	C33	H331	110.8°	109.5°
C34	C33	H332	110.8°	109.5°
C33	C34	C35	112.2°	109.5°
C33	C34	H341	111.2°	109.5°
C33	C34	H342	111.2°	109.5°
H331	C33	H332	99.6°	109.5°
C35	C34	H341	111.2°	109.5°
C35	C34	H342	111.2°	109.5°
C34	C35	C36	113.3°	109.5°
C34	C35	H351	110.8°	109.5°
C34	C35	H352	110.8°	109.5°
H341	C34	H342	99.1°	109.5°
C36	C35	H351	110.8°	109.5°
C36	C35	H352	110.8°	109.4°
C35	C36	C37	111.1°	109.5°
C35	C36	H361	111.6°	109.4°
C35	C36	H362	111.6°	109.5°
H351	C35	H352	99.5°	109.4°
C37	C36	H361	111.6°	109.5°
C37	C36	H362	111.6°	109.5°
C36	C37	C38	112.3°	109.5°
C36	C37	H371	111.1°	109.5°
C36	C37	H372	111.2°	109.5°
H361	C36	H362	98.8°	109.5°
C38	C37	H371	111.2°	109.5°
C38	C37	H372	111.2°	109.4°
C37	C38	C39	111.0°	109.5°
C37	C38	H381	111.6°	109.5°
C37	C38	H382	111.6°	109.5°
H371	C37	H372	99.1°	109.5°
C39	C38	H381	111.7°	109.5°
C39	C38	H382	111.7°	109.5°
C38	C39	C40	112.2°	109.4°
C38	C39	H391	111.2°	109.5°
C38	C39	H392	111.2°	109.5°
H381	C38	H382	98.8°	109.5°
C40	C39	H391	111.2°	109.5°
C40	C39	H392	111.2°	109.5°
C39	C40	C41	112.3°	109.4°
C39	C40	H401	111.2°	109.5°
C39	C40	H402	111.2°	109.4°
H391	C39	H392	99.1°	109.4°
C41	C40	H401	111.2°	109.4°
C41	C40	H402	111.2°	109.5°
C40	C41	C42	112.8°	109.5°
C40	C41	H411	111.0°	109.5°
C40	C41	H412	111.0°	109.5°
H401	C40	H402	99.2°	109.5°
C42	C41	H411	111.0°	109.5°
C42	C41	H412	111.0°	109.4°
C41	C42	C43	112.2°	109.5°
C41	C42	H421	111.2°	109.5°
C41	C42	H422	111.2°	109.4°
H411	C41	H412	99.3°	109.4°
C43	C42	H421	111.2°	109.5°
C43	C42	H422	111.2°	109.4°
C42	C43	C44	111.6°	109.5°
C42	C43	H431	111.4°	109.5°
C42	C43	H432	111.4°	109.5°
H421	C42	H422	99.2°	109.5°
C44	C43	H431	111.4°	109.5°
C44	C43	H432	111.5°	109.5°
C43	C44	C45	112.5°	109.5°
C43	C44	H441	111.1°	109.5°
C43	C44	H442	111.1°	109.5°
H431	C43	H432	98.9°	109.4°
C45	C44	H441	111.1°	109.5°
C45	C44	H442	111.1°	109.5°
C44	C45	C46	112.5°	109.4°
C44	C45	H451	111.1°	109.4°
C44	C45	H452	111.1°	109.5°
H441	C44	H442	99.3°	109.5°
C46	C45	H451	111.1°	109.5°
C46	C45	H452	111.1°	109.5°
C45	C46	C47	112.6°	109.4°
C45	C46	H461	111.1°	109.5°
C45	C46	H462	111.0°	109.5°
H451	C45	H452	99.2°	109.5°
C47	C46	H461	111.1°	109.5°
C47	C46	H462	111.1°	109.5°
C46	C47	C48	115.1°	109.5°
C46	C47	H471	110.2°	109.5°
C46	C47	H472	110.2°	109.5°
H461	C46	H462	99.3°	109.5°
C48	C47	H471	110.2°	109.5°
C48	C47	H472	110.2°	109.5°
C47	C48	H481	115.1°	109.5°
C47	C48	H482	110.1°	109.5°
C47	C48	H483	110.1°	109.5°
H471	C47	H472	100.0°	109.4°
H481	C48	H482	110.2°	109.5°
H481	C48	H483	110.2°	109.5°
H482	C48	H483	100.1°	109.5°
O3	C3	H31	110.8°	109.5°
O3	C3	H32	110.8°	109.5°
C3	O3	C11	115.8°	120.0°
H31	C3	H32	99.5°	109.5°
O3	C11	O11	120.1°	120.0°
O3	C11	C12	118.2°	120.0°
O11	C11	C12	121.8°	120.0°
C11	C12	C13	116.8°	109.5°
C11	C12	H121	109.5°	109.5°
C11	C12	H122	109.5°	109.5°
C13	C12	H121	109.5°	109.5°
C13	C12	H122	109.6°	109.4°
C12	C13	C14	111.7°	109.5°
C12	C13	H131	111.3°	109.5°
C12	C13	H132	111.4°	109.4°
H121	C12	H122	100.6°	109.5°
C14	C13	H131	111.4°	109.5°
C14	C13	H132	111.4°	109.5°
C13	C14	C15	113.5°	109.4°
C13	C14	H141	110.7°	109.5°
C13	C14	H142	110.7°	109.4°
H131	C13	H132	99.0°	109.5°
C15	C14	H141	110.8°	109.5°
C15	C14	H142	110.7°	109.5°
C14	C15	C16	110.6°	109.4°
C14	C15	H151	111.8°	109.5°
C14	C15	H152	111.8°	109.4°
H141	C14	H142	99.5°	109.5°
C16	C15	H151	111.9°	109.5°
C16	C15	H152	111.8°	109.5°
C15	C16	C17	111.5°	109.4°
C15	C16	H161	111.5°	109.5°
C15	C16	H162	111.5°	109.4°
H151	C15	H152	98.6°	109.5°
C17	C16	H161	111.5°	109.5°
C17	C16	H162	111.5°	109.5°
C16	C17	C18	113.1°	109.4°
C16	C17	H171	110.8°	109.5°
C16	C17	H172	110.8°	109.5°
H161	C16	H162	98.9°	109.5°
C18	C17	H171	110.9°	109.4°
C18	C17	H172	110.9°	109.4°
C17	C18	C19	113.2°	109.5°
C17	C18	H181	110.8°	109.5°
C17	C18	H182	110.8°	109.4°
H171	C17	H172	99.5°	109.5°
C19	C18	H181	110.9°	109.5°
C19	C18	H182	110.8°	109.5°
C18	C19	C20	112.5°	109.5°
C18	C19	H191	111.1°	109.5°
C18	C19	H192	111.1°	109.5°
H181	C18	H182	99.5°	109.5°
C20	C19	H191	111.1°	109.4°
C20	C19	H192	111.1°	109.4°
C19	C20	C21	111.8°	109.5°
C19	C20	H201	111.3°	109.5°
C19	C20	H202	111.3°	109.4°
H191	C19	H192	99.2°	109.5°
C21	C20	H201	111.4°	109.5°
C21	C20	H202	111.4°	109.4°
C20	C21	C22	110.9°	109.5°
C20	C21	H211	111.6°	109.5°
C20	C21	H212	111.7°	109.4°
H201	C20	H202	99.0°	109.4°
C22	C21	H211	111.7°	109.5°
C22	C21	H212	111.7°	109.4°
C21	C22	C23	112.4°	109.5°
C21	C22	H221	111.1°	109.5°
C21	C22	H222	111.1°	109.4°
H211	C21	H212	98.7°	109.4°
C23	C22	H221	111.1°	109.5°
C23	C22	H222	111.2°	109.4°
C22	C23	C24	110.9°	109.5°
C22	C23	H231	111.6°	109.5°
C22	C23	H232	111.6°	109.4°
H221	C22	H222	99.2°	109.4°
C24	C23	H231	111.7°	109.4°
C24	C23	H232	111.7°	109.5°
C23	C24	C25	112.8°	109.5°
C23	C24	H241	111.0°	109.4°
C23	C24	H242	111.0°	109.5°
H231	C23	H232	98.8°	109.5°
C25	C24	H241	111.0°	109.5°
C25	C24	H242	111.0°	109.5°
C24	C25	C26	112.3°	109.5°
C24	C25	H251	111.1°	109.5°
C24	C25	H252	111.2°	109.5°
H241	C24	H242	99.3°	109.5°
C26	C25	H251	111.2°	109.4°
C26	C25	H252	111.2°	109.5°
C25	C26	C27	111.3°	109.5°
C25	C26	H261	111.5°	109.4°
C25	C26	H262	111.5°	109.5°
H251	C25	H252	99.2°	109.5°
C27	C26	H261	111.5°	109.5°
C27	C26	H262	111.6°	109.5°
C26	C27	C28	114.5°	109.5°
C26	C27	H271	110.3°	109.5°
C26	C27	H272	110.3°	109.5°
H261	C26	H262	98.8°	109.5°
C28	C27	H271	110.4°	109.4°
C28	C27	H272	110.4°	109.5°
C27	C28	H281	114.5°	109.5°
C27	C28	H282	110.4°	109.5°
C27	C28	H283	110.3°	109.4°
H271	C27	H272	99.9°	109.5°
H281	C28	H282	110.4°	109.5°
H281	C28	H283	110.4°	109.5°
H282	C28	H283	99.9°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1P	P	O2P	O4P	118.7°	120.1°
O1P	P	O2P	O3P	121.1°	120.0°
O1P	P	O4P	O3P	121.1°	120.0°
O1P	P	O4P	H4P	180.0°	59.9°
O1P	P	O3P	C1	64.2°	180.0°
H1P	O1P	P	O2P	180.0°	60.0°
H1P	O1P	P	O4P	61.4°	60.1°
H1P	O1P	P	O3P	59.2°	180.0°
O2P	P	O4P	O3P	120.4°	120.0°
O2P	P	O4P	H4P	61.4°	180.0°
O2P	P	O3P	C1	55.9°	60.1°
O4P	P	O3P	C1	175.6°	60.0°
O3P	P	O4P	H4P	58.9°	60.0°
P	O3P	C1	C2	143.2°	180.0°
P	O3P	C1	H11	17.9°	59.9°
P	O3P	C1	H12	91.5°	60.0°
O3P	C1	C2	H11	125.3°	120.1°
O3P	C1	C2	H12	125.2°	119.9°
O3P	C1	H11	H12	116.9°	119.9°
O3P	C1	C2	O2	26.1°	60.0°
O3P	C1	C2	C3	100.2°	60.0°
O3P	C1	C2	H2	145.2°	180.0°
C2	C1	H11	H12	117.0°	120.0°
C1	C2	O2	C3	127.3°	120.1°
C1	C2	O2	H2	118.0°	120.0°
C1	C2	C3	H2	117.3°	120.0°
C1	C2	O2	C31	168.4°	90.0°
C1	C2	C3	O3	0.7°	60.0°
C1	C2	C3	H31	125.9°	60.0°
C1	C2	C3	H32	124.5°	180.0°
H11	C1	C2	O2	99.2°	180.0°
H11	C1	C2	C3	134.5°	60.0°
H11	C1	C2	H2	20.0°	60.0°
H12	C1	C2	O2	151.3°	59.9°
H12	C1	C2	C3	25.0°	180.0°
H12	C1	C2	H2	89.5°	60.0°
O2	C2	C3	H2	118.7°	119.9°
C2	O2	C31	O31	179.6°	0.0°
C2	O2	C31	C32	0.2°	180.0°
O2	C2	C3	O3	123.3°	60.1°
O2	C2	C3	H31	1.9°	180.0°
O2	C2	C3	H32	111.5°	60.0°
C3	C2	O2	C31	64.3°	149.9°
C2	C3	O3	H31	125.3°	120.0°
C2	C3	O3	H32	125.3°	120.1°
C2	C3	H31	H32	116.7°	120.1°
C2	C3	O3	C11	179.3°	179.9°
H2	C2	O2	C31	50.5°	30.0°
H2	C2	C3	O3	118.0°	180.0°
H2	C2	C3	H31	116.8°	60.1°
H2	C2	C3	H32	7.2°	59.9°
O2	C31	O31	C32	179.8°	179.9°
O2	C31	C32	C33	167.4°	180.0°
O2	C31	C32	H321	67.2°	60.0°
O2	C31	C32	H322	42.1°	60.0°
O31	C31	C32	C33	12.8°	0.0°
O31	C31	C32	H321	112.5°	120.0°
O31	C31	C32	H322	138.1°	120.0°
C31	C32	C33	H321	125.3°	120.0°
C31	C32	C33	H322	125.2°	120.0°
C31	C32	H321	H322	116.3°	120.0°
C31	C32	C33	C34	113.6°	180.0°
C31	C32	C33	H331	11.6°	60.0°
C31	C32	C33	H332	121.2°	60.0°
C33	C32	H321	H322	116.5°	120.0°
C32	C33	C34	H331	125.2°	120.0°
C32	C33	C34	H332	125.2°	120.0°
C32	C33	H331	H332	116.7°	120.0°
C32	C33	C34	C35	141.9°	180.0°
C32	C33	C34	H341	92.8°	60.0°
C32	C33	C34	H342	16.6°	60.0°
H321	C32	C33	C34	121.1°	60.0°
H321	C32	C33	H331	113.6°	180.0°
H321	C32	C33	H332	4.1°	60.0°
H322	C32	C33	C34	11.6°	60.0°
H322	C32	C33	H331	136.9°	60.0°
H322	C32	C33	H332	113.6°	180.0°
C34	C33	H331	H332	116.6°	120.0°
C33	C34	C35	H341	125.3°	120.0°
C33	C34	C35	H342	125.3°	120.0°
C33	C34	H341	H342	117.1°	120.0°
C33	C34	C35	C36	94.6°	180.0°
C33	C34	C35	H351	140.1°	60.0°
C33	C34	C35	H352	30.7°	60.0°
H331	C33	C34	C35	16.6°	60.0°
H331	C33	C34	H341	141.9°	180.0°
H331	C33	C34	H342	108.7°	60.0°
H332	C33	C34	C35	92.9°	60.0°
H332	C33	C34	H341	32.4°	60.0°
H332	C33	C34	H342	141.8°	180.0°
C35	C34	H341	H342	117.1°	120.0°
C34	C35	C36	H351	125.3°	120.0°
C34	C35	C36	H352	125.3°	120.1°
C34	C35	H351	H352	116.7°	120.0°
C34	C35	C36	C37	152.4°	180.0°
C34	C35	C36	H361	82.3°	60.0°
C34	C35	C36	H362	27.2°	60.0°
H341	C34	C35	C36	30.7°	60.0°
H341	C34	C35	H351	94.6°	180.0°
H341	C34	C35	H352	156.0°	60.0°
H342	C34	C35	C36	140.1°	60.0°
H342	C34	C35	H351	14.9°	60.1°
H342	C34	C35	H352	94.6°	180.0°
C36	C35	H351	H352	116.7°	119.9°
C35	C36	C37	H361	125.2°	120.0°
C35	C36	C37	H362	125.2°	120.0°
C35	C36	H361	H362	117.5°	120.0°
C35	C36	C37	C38	179.8°	180.0°
C35	C36	C37	H371	54.9°	60.0°
C35	C36	C37	H372	54.5°	60.0°
H351	C35	C36	C37	27.2°	60.0°
H351	C35	C36	H361	152.4°	180.0°
H351	C35	C36	H362	98.1°	60.1°
H352	C35	C36	C37	82.3°	59.9°
H352	C35	C36	H361	43.0°	60.1°
H352	C35	C36	H362	152.5°	180.0°
C37	C36	H361	H362	117.5°	120.0°
C36	C37	C38	H371	125.2°	120.0°
C36	C37	C38	H372	125.3°	120.0°
C36	C37	H371	H372	117.0°	120.0°
C36	C37	C38	C39	142.7°	180.0°
C36	C37	C38	H381	92.0°	60.0°
C36	C37	C38	H382	17.5°	60.0°
H361	C36	C37	C38	54.6°	60.0°
H361	C36	C37	H371	179.8°	180.0°
H361	C36	C37	H372	70.7°	59.9°
H362	C36	C37	C38	55.0°	60.0°
H362	C36	C37	H371	70.3°	60.0°
H362	C36	C37	H372	179.7°	179.9°
C38	C37	H371	H372	117.1°	120.0°
C37	C38	C39	H381	125.2°	120.0°
C37	C38	C39	H382	125.2°	120.0°
C37	C38	H381	H382	117.5°	120.0°
C37	C38	C39	C40	135.8°	180.0°
C37	C38	C39	H391	98.9°	60.0°
C37	C38	C39	H392	10.6°	60.0°
H371	C37	C38	C39	17.5°	60.0°
H371	C37	C38	H381	142.7°	180.0°
H371	C37	C38	H382	107.8°	60.0°
H372	C37	C38	C39	92.0°	60.0°
H372	C37	C38	H381	33.3°	60.0°
H372	C37	C38	H382	142.7°	180.0°
C39	C38	H381	H382	117.6°	120.0°
C38	C39	C40	H391	125.3°	120.0°
C38	C39	C40	H392	125.3°	120.0°
C38	C39	H391	H392	117.1°	120.0°
C38	C39	C40	C41	175.6°	180.0°
C38	C39	C40	H401	50.4°	60.0°
C38	C39	C40	H402	59.1°	60.0°
H381	C38	C39	C40	10.6°	60.0°
H381	C38	C39	H391	135.9°	180.0°
H381	C38	C39	H392	114.7°	60.0°
H382	C38	C39	C40	98.9°	60.0°
H382	C38	C39	H391	26.4°	60.0°
H382	C38	C39	H392	135.8°	180.0°
C40	C39	H391	H392	117.1°	120.0°
C39	C40	C41	H401	125.2°	120.0°
C39	C40	C41	H402	125.3°	119.9°
C39	C40	H401	H402	117.0°	120.0°
C39	C40	C41	C42	130.1°	180.0°
C39	C40	C41	H411	104.6°	60.0°
C39	C40	C41	H412	4.9°	60.0°
H391	C39	C40	C41	59.1°	60.0°
H391	C39	C40	H401	175.7°	179.9°
H391	C39	C40	H402	66.2°	60.0°
H392	C39	C40	C41	50.3°	60.0°
H392	C39	C40	H401	74.9°	59.9°
H392	C39	C40	H402	175.6°	180.0°
C41	C40	H401	H402	117.1°	120.0°
C40	C41	C42	H411	125.3°	120.1°
C40	C41	C42	H412	125.3°	120.0°
C40	C41	H411	H412	116.9°	120.0°
C40	C41	C42	C43	149.2°	180.0°
C40	C41	C42	H421	24.0°	59.9°
C40	C41	C42	H422	85.6°	60.0°
H401	C40	C41	C42	4.9°	60.0°
H401	C40	C41	H411	130.2°	180.0°
H401	C40	C41	H412	120.4°	60.0°
H402	C40	C41	C42	104.6°	60.1°
H402	C40	C41	H411	20.7°	60.0°
H402	C40	C41	H412	130.1°	179.9°
C42	C41	H411	H412	116.9°	120.0°
C41	C42	C43	H421	125.2°	120.1°
C41	C42	C43	H422	125.3°	120.0°
C41	C42	H421	H422	117.1°	120.0°
C41	C42	C43	C44	101.0°	180.0°
C41	C42	C43	H431	24.3°	60.0°
C41	C42	C43	H432	133.7°	60.0°
H411	C41	C42	C43	85.5°	59.9°
H411	C41	C42	H421	149.3°	180.0°
H411	C41	C42	H422	39.7°	60.0°
H412	C41	C42	C43	23.9°	60.0°
H412	C41	C42	H421	101.3°	60.0°
H412	C41	C42	H422	149.2°	180.0°
C43	C42	H421	H422	117.1°	120.0°
C42	C43	C44	H431	125.3°	120.0°
C42	C43	C44	H432	125.3°	120.0°
C42	C43	H431	H432	117.3°	120.0°
C42	C43	C44	C45	121.6°	180.0°
C42	C43	C44	H441	113.2°	60.0°
C42	C43	C44	H442	3.7°	60.0°
H421	C42	C43	C44	133.8°	60.0°
H421	C42	C43	H431	100.9°	180.0°
H421	C42	C43	H432	8.4°	60.1°
H422	C42	C43	C44	24.3°	60.0°
H422	C42	C43	H431	149.6°	60.0°
H422	C42	C43	H432	101.1°	180.0°
C44	C43	H431	H432	117.3°	120.0°
C43	C44	C45	H441	125.2°	120.0°
C43	C44	C45	H442	125.2°	120.0°
C43	C44	H441	H442	117.0°	120.0°
C43	C44	C45	C46	117.5°	180.0°
C43	C44	C45	H451	7.8°	60.0°
C43	C44	C45	H452	117.3°	60.0°
H431	C43	C44	C45	3.7°	60.0°
H431	C43	C44	H441	121.5°	180.0°
H431	C43	C44	H442	128.9°	60.0°
H432	C43	C44	C45	113.1°	60.0°
H432	C43	C44	H441	12.1°	60.1°
H432	C43	C44	H442	121.6°	180.0°
C45	C44	H441	H442	117.0°	120.0°
C44	C45	C46	H451	125.3°	120.0°
C44	C45	C46	H452	125.3°	120.0°
C44	C45	H451	H452	117.0°	120.0°
C44	C45	C46	C47	162.6°	180.0°
C44	C45	C46	H461	37.3°	60.0°
C44	C45	C46	H462	72.1°	60.0°
H441	C44	C45	C46	117.3°	60.0°
H441	C44	C45	H451	117.4°	180.0°
H441	C44	C45	H452	8.0°	60.1°
H442	C44	C45	C46	7.8°	60.0°
H442	C44	C45	H451	133.0°	60.0°
H442	C44	C45	H452	117.5°	180.0°
C46	C45	H451	H452	117.0°	120.1°
C45	C46	C47	H461	125.3°	120.0°
C45	C46	C47	H462	125.2°	120.0°
C45	C46	H461	H462	116.9°	120.0°
C45	C46	C47	C48	164.3°	180.0°
C45	C46	C47	H471	70.4°	60.0°
C45	C46	C47	H472	39.0°	60.0°
H451	C45	C46	C47	72.1°	60.0°
H451	C45	C46	H461	162.6°	179.9°
H451	C45	C46	H462	53.1°	59.9°
H452	C45	C46	C47	37.3°	60.0°
H452	C45	C46	H461	88.0°	60.0°
H452	C45	C46	H462	162.6°	180.0°
C47	C46	H461	H462	117.0°	120.0°
C46	C47	C48	H471	125.3°	120.0°
C46	C47	C48	H472	125.3°	120.0°
C46	C47	H471	H472	115.9°	120.0°
C46	C47	C48	H481	180.0°	180.0°
C46	C47	C48	H482	54.7°	60.0°
C46	C47	C48	H483	54.8°	60.0°
H461	C46	C47	C48	39.0°	60.0°
H461	C46	C47	H471	164.3°	180.0°
H461	C46	C47	H472	86.3°	60.1°
H462	C46	C47	C48	70.5°	60.0°
H462	C46	C47	H471	54.8°	60.0°
H462	C46	C47	H472	164.2°	180.0°
C48	C47	H471	H472	116.0°	120.0°
C47	C48	H481	H482	125.2°	120.0°
C47	C48	H481	H483	125.2°	120.0°
C47	C48	H482	H483	115.9°	120.0°
H471	C47	C48	H481	54.7°	60.0°
H471	C47	C48	H482	180.0°	180.0°
H471	C47	C48	H483	70.5°	60.0°
H472	C47	C48	H481	54.7°	60.0°
H472	C47	C48	H482	70.6°	60.1°
H472	C47	C48	H483	179.9°	180.0°
H481	C48	H482	H483	116.0°	120.0°
O3	C3	H31	H32	116.7°	120.0°
C3	O3	C11	O11	179.8°	0.0°
C3	O3	C11	C12	0.7°	180.0°
H31	C3	O3	C11	55.4°	60.0°
H32	C3	O3	C11	54.1°	60.0°
O3	C11	O11	C12	179.5°	180.0°
O3	C11	C12	C13	99.8°	180.0°
O3	C11	C12	H121	25.4°	60.0°
O3	C11	C12	H122	134.9°	60.1°
O11	C11	C12	C13	80.7°	0.0°
O11	C11	C12	H121	154.1°	120.0°
O11	C11	C12	H122	44.6°	120.0°
C11	C12	C13	H121	125.2°	120.1°
C11	C12	C13	H122	125.2°	120.0°
C11	C12	H121	H122	115.3°	120.1°
C11	C12	C13	C14	148.3°	180.0°
C11	C12	C13	H131	23.0°	59.9°
C11	C12	C13	H132	86.4°	60.0°
C13	C12	H121	H122	115.3°	119.9°
C12	C13	C14	H131	125.2°	120.0°
C12	C13	C14	H132	125.3°	119.9°
C12	C13	H131	H132	117.3°	119.9°
C12	C13	C14	C15	122.8°	180.0°
C12	C13	C14	H141	2.5°	60.0°
C12	C13	C14	H142	111.9°	60.1°
H121	C12	C13	C14	86.5°	59.9°
H121	C12	C13	H131	148.3°	180.0°
H121	C12	C13	H132	38.9°	60.0°
H122	C12	C13	C14	23.0°	60.0°
H122	C12	C13	H131	102.2°	60.0°
H122	C12	C13	H132	148.4°	180.0°
C14	C13	H131	H132	117.3°	120.1°
C13	C14	C15	H141	125.3°	120.0°
C13	C14	C15	H142	125.2°	119.9°
C13	C14	H141	H142	116.5°	120.0°
C13	C14	C15	C16	162.6°	180.0°
C13	C14	C15	H151	72.1°	60.0°
C13	C14	C15	H152	37.4°	60.0°
H131	C13	C14	C15	112.0°	60.0°
H131	C13	C14	H141	122.7°	180.0°
H131	C13	C14	H142	13.3°	60.0°
H132	C13	C14	C15	2.5°	60.1°
H132	C13	C14	H141	127.8°	59.9°
H132	C13	C14	H142	122.8°	180.0°
C15	C14	H141	H142	116.6°	120.0°
C14	C15	C16	H151	125.2°	120.0°
C14	C15	C16	H152	125.2°	119.9°
C14	C15	H151	H152	117.7°	120.0°
C14	C15	C16	C17	179.8°	180.0°
C14	C15	C16	H161	54.9°	60.0°
C14	C15	C16	H162	54.6°	60.1°
H141	C14	C15	C16	37.3°	60.0°
H141	C14	C15	H151	162.6°	180.0°
H141	C14	C15	H152	87.9°	60.0°
H142	C14	C15	C16	72.1°	60.1°
H142	C14	C15	H151	53.2°	60.0°
H142	C14	C15	H152	162.6°	180.0°
C16	C15	H151	H152	117.8°	120.1°
C15	C16	C17	H161	125.3°	120.0°
C15	C16	C17	H162	125.3°	119.9°
C15	C16	H161	H162	117.3°	120.0°
C15	C16	C17	C18	140.4°	180.0°
C15	C16	C17	H171	94.3°	60.0°
C15	C16	C17	H172	15.1°	60.1°
H151	C15	C16	C17	54.6°	60.0°
H151	C15	C16	H161	179.9°	180.0°
H151	C15	C16	H162	70.7°	60.0°
H152	C15	C16	C17	54.9°	60.1°
H152	C15	C16	H161	70.4°	59.9°
H152	C15	C16	H162	179.8°	180.0°
C17	C16	H161	H162	117.4°	120.1°
C16	C17	C18	H171	125.2°	120.0°
C16	C17	C18	H172	125.2°	120.0°
C16	C17	H171	H172	116.7°	120.1°
C16	C17	C18	C19	110.6°	180.0°
C16	C17	C18	H181	124.1°	60.0°
C16	C17	C18	H182	14.7°	60.0°
H161	C16	C17	C18	15.2°	60.0°
H161	C16	C17	H171	140.4°	180.0°
H161	C16	C17	H172	110.1°	59.9°
H162	C16	C17	C18	94.3°	60.1°
H162	C16	C17	H171	31.0°	59.9°
H162	C16	C17	H172	140.4°	180.0°
C18	C17	H171	H172	116.8°	119.9°
C17	C18	C19	H181	125.3°	120.1°
C17	C18	C19	H182	125.2°	120.0°
C17	C18	H181	H182	116.7°	120.0°
C17	C18	C19	C20	78.3°	180.0°
C17	C18	C19	H191	156.4°	60.0°
C17	C18	C19	H192	47.0°	60.0°
H171	C17	C18	C19	14.6°	60.0°
H171	C17	C18	H181	110.7°	180.0°
H171	C17	C18	H182	139.9°	60.0°
H172	C17	C18	C19	124.2°	60.0°
H172	C17	C18	H181	1.1°	60.0°
H172	C17	C18	H182	110.6°	180.0°
C19	C18	H181	H182	116.7°	120.0°
C18	C19	C20	H191	125.3°	120.0°
C18	C19	C20	H192	125.3°	120.0°
C18	C19	H191	H192	116.9°	120.0°
C18	C19	C20	C21	94.1°	180.0°
C18	C19	C20	H201	140.7°	60.0°
C18	C19	C20	H202	31.2°	60.0°
H181	C18	C19	C20	47.0°	59.9°
H181	C18	C19	H191	78.3°	179.9°
H181	C18	C19	H192	172.2°	60.0°
H182	C18	C19	C20	156.4°	60.0°
H182	C18	C19	H191	31.1°	59.9°
H182	C18	C19	H192	78.3°	180.0°
C20	C19	H191	H192	117.0°	120.0°
C19	C20	C21	H201	125.2°	120.1°
C19	C20	C21	H202	125.3°	120.0°
C19	C20	H201	H202	117.2°	120.0°
C19	C20	C21	C22	81.2°	180.0°
C19	C20	C21	H211	153.5°	59.9°
C19	C20	C21	H212	44.1°	60.0°
H191	C19	C20	C21	31.2°	60.0°
H191	C19	C20	H201	94.1°	180.0°
H191	C19	C20	H202	156.5°	60.0°
H192	C19	C20	C21	140.7°	60.0°
H192	C19	C20	H201	15.4°	60.0°
H192	C19	C20	H202	94.0°	180.0°
C21	C20	H201	H202	117.3°	119.9°
C20	C21	C22	H211	125.2°	120.1°
C20	C21	C22	H212	125.2°	120.0°
C20	C21	H211	H212	117.6°	120.0°
C20	C21	C22	C23	160.3°	180.0°
C20	C21	C22	H221	35.1°	59.9°
C20	C21	C22	H222	74.4°	60.0°
H201	C20	C21	C22	44.0°	59.9°
H201	C20	C21	H211	81.3°	180.0°
H201	C20	C21	H212	169.3°	60.1°
H202	C20	C21	C22	153.5°	60.0°
H202	C20	C21	H211	28.3°	60.0°
H202	C20	C21	H212	81.2°	NaN°
C22	C21	H211	H212	117.6°	119.9°
C21	C22	C23	H221	125.2°	120.1°
C21	C22	C23	H222	125.3°	120.0°
C21	C22	H221	H222	116.9°	119.9°
C21	C22	C23	C24	179.7°	180.0°
C21	C22	C23	H231	55.1°	59.9°
C21	C22	C23	H232	54.4°	60.1°
H211	C21	C22	C23	74.5°	59.9°
H211	C21	C22	H221	160.3°	180.0°
H211	C21	C22	H222	50.9°	60.1°
H212	C21	C22	C23	35.1°	60.0°
H212	C21	C22	H221	90.2°	60.1°
H212	C21	C22	H222	160.4°	180.0°
C23	C22	H221	H222	117.1°	120.0°
C22	C23	C24	H231	125.2°	120.1°
C22	C23	C24	H232	125.2°	120.0°
C22	C23	H231	H232	117.5°	120.0°
C22	C23	C24	C25	148.3°	180.0°
C22	C23	C24	H241	86.4°	60.0°
C22	C23	C24	H242	23.0°	60.0°
H221	C22	C23	C24	54.4°	60.0°
H221	C22	C23	H231	179.7°	180.0°
H221	C22	C23	H232	70.8°	60.0°
H222	C22	C23	C24	55.1°	60.0°
H222	C22	C23	H231	70.2°	60.0°
H222	C22	C23	H232	179.7°	180.0°
C24	C23	H231	H232	117.6°	120.0°
C23	C24	C25	H241	125.3°	119.9°
C23	C24	C25	H242	125.3°	120.0°
C23	C24	H241	H242	116.8°	120.0°
C23	C24	C25	C26	101.0°	NaN°
C23	C24	C25	H251	133.8°	60.0°
C23	C24	C25	H252	24.3°	60.0°
H231	C23	C24	C25	23.0°	60.0°
H231	C23	C24	H241	148.3°	180.0°
H231	C23	C24	H242	102.3°	60.0°
H232	C23	C24	C25	86.5°	60.0°
H232	C23	C24	H241	38.8°	60.0°
H232	C23	C24	H242	148.2°	180.0°
C25	C24	H241	H242	116.9°	120.0°
C24	C25	C26	H251	125.2°	120.0°
C24	C25	C26	H252	125.3°	120.0°
C24	C25	H251	H252	117.1°	120.0°
C24	C25	C26	C27	162.6°	180.0°
C24	C25	C26	H261	37.3°	60.0°
C24	C25	C26	H262	72.1°	60.0°
H241	C24	C25	C26	24.3°	60.1°
H241	C24	C25	H251	101.0°	180.0°
H241	C24	C25	H252	149.6°	60.0°
H242	C24	C25	C26	133.8°	60.0°
H242	C24	C25	H251	8.5°	60.0°
H242	C24	C25	H252	101.0°	180.0°
C26	C25	H251	H252	117.1°	120.0°
C25	C26	C27	H261	125.3°	119.9°
C25	C26	C27	H262	125.3°	120.0°
C25	C26	H261	H262	117.4°	120.0°
C25	C26	C27	C28	79.9°	180.0°
C25	C26	C27	H271	154.9°	60.1°
C25	C26	C27	H272	45.4°	60.0°
H251	C25	C26	C27	72.2°	60.0°
H251	C25	C26	H261	162.5°	180.0°
H251	C25	C26	H262	53.1°	60.0°
H252	C25	C26	C27	37.3°	60.0°
H252	C25	C26	H261	88.0°	60.0°
H252	C25	C26	H262	162.6°	NaN°
C27	C26	H261	H262	117.5°	120.1°
C26	C27	C28	H271	125.2°	119.9°
C26	C27	C28	H272	125.2°	120.0°
C26	C27	H271	H272	116.1°	120.1°
C26	C27	C28	H281	180.0°	180.0°
C26	C27	C28	H282	54.7°	60.0°
C26	C27	C28	H283	54.7°	60.0°
H261	C26	C27	C28	45.4°	60.1°
H261	C26	C27	H271	79.9°	180.0°
H261	C26	C27	H272	170.7°	59.9°
H262	C26	C27	C28	154.9°	60.0°
H262	C26	C27	H271	29.6°	59.9°
H262	C26	C27	H272	79.9°	180.0°
C28	C27	H271	H272	116.3°	120.0°
C27	C28	H281	H282	125.2°	120.0°
C27	C28	H281	H283	125.3°	120.0°
C27	C28	H282	H283	116.2°	120.0°
H271	C27	C28	H281	54.8°	60.1°
H271	C27	C28	H282	180.0°	60.0°
H271	C27	C28	H283	70.5°	180.0°
H272	C27	C28	H281	54.8°	60.0°
H272	C27	C28	H282	70.5°	180.0°
H272	C27	C28	H283	179.9°	60.0°
H281	C28	H282	H283	116.3°	120.0°

Definition date:	2003-06-27
Last modified:	2009-09-09
Release status:	OBS
Processing site:	RCSB
Replaced by:	3PH
Derived from:	1PUB