MC3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.55Å
C1	O3P	sing	1.43Å	1.47Å
C1	H11	sing	1.09Å	1.11Å
C1	H12	sing	1.09Å	1.12Å
C2	C3	sing	1.53Å	1.56Å
C2	O2	sing	1.45Å	1.51Å
C2	H2	sing	1.09Å	1.12Å
C3	O3	sing	1.45Å	1.46Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.11Å
C4	C5	sing	1.53Å	1.55Å
C4	O4P	sing	1.43Å	1.46Å
C4	H41	sing	1.09Å	1.12Å
C4	H42	sing	1.09Å	1.11Å
C5	N	sing	1.47Å	1.52Å
C5	H51	sing	1.09Å	1.12Å
C5	H52	sing	1.09Å	1.11Å
C6	N	sing	1.47Å	1.48Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å
C6	H63	sing	1.09Å	1.11Å
C7	N	sing	1.47Å	1.47Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.11Å
C7	H73	sing	1.09Å	1.11Å
C8	N	sing	1.47Å	1.48Å
C8	H81	sing	1.09Å	1.12Å
C8	H82	sing	1.09Å	1.12Å
C8	H83	sing	1.09Å	1.12Å
C11	C12	sing	1.51Å	1.54Å
C11	O3	sing	1.34Å	1.48Å
C11	O11	doub	1.21Å	1.24Å
C12	C13	sing	1.53Å	1.54Å
C12	H121	sing	1.09Å	1.11Å
C12	H122	sing	1.09Å	1.11Å
C13	C14	sing	1.53Å	1.52Å
C13	H131	sing	1.09Å	1.11Å
C13	H132	sing	1.09Å	1.12Å
C14	C15	sing	1.53Å	1.51Å
C14	H141	sing	1.09Å	1.12Å
C14	H142	sing	1.09Å	1.11Å
C15	C16	sing	1.53Å	1.52Å
C15	H151	sing	1.09Å	1.12Å
C15	H152	sing	1.09Å	1.11Å
C16	C17	sing	1.53Å	1.53Å
C16	H161	sing	1.09Å	1.11Å
C16	H162	sing	1.09Å	1.12Å
C17	C18	sing	1.53Å	1.54Å
C17	H171	sing	1.09Å	1.12Å
C17	H172	sing	1.09Å	1.12Å
C18	C19	sing	1.53Å	1.53Å
C18	H181	sing	1.09Å	1.12Å
C18	H182	sing	1.09Å	1.11Å
C19	C20	sing	1.53Å	1.52Å
C19	H191	sing	1.09Å	1.12Å
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	1.11Å
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	1.11Å
C22	H222	sing	1.09Å	1.11Å
C23	C24	sing	1.53Å	1.52Å
C23	H231	sing	1.09Å	1.12Å
C23	H232	sing	1.09Å	1.12Å
C24	H241	sing	1.09Å	1.11Å
C24	H242	sing	1.09Å	1.11Å
C24	H243	sing	1.09Å	1.11Å
C31	C32	sing	1.51Å	1.54Å
C31	O2	sing	1.34Å	1.53Å
C31	O31	doub	1.21Å	1.25Å
C32	C33	sing	1.53Å	1.54Å
C32	H321	sing	1.09Å	1.12Å
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	1.12Å
C34	C35	sing	1.53Å	1.54Å
C34	H341	sing	1.09Å	1.12Å
C34	H342	sing	1.09Å	1.11Å
C35	C36	sing	1.53Å	1.54Å
C35	H351	sing	1.09Å	1.12Å
C35	H352	sing	1.09Å	1.11Å
C36	C37	sing	1.53Å	1.53Å
C36	H361	sing	1.09Å	1.11Å
C36	H362	sing	1.09Å	1.12Å
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	1.12Å
C39	C40	sing	1.53Å	1.53Å
C39	H391	sing	1.09Å	1.11Å
C39	H392	sing	1.09Å	1.11Å
C40	C41	sing	1.53Å	1.53Å
C40	H401	sing	1.09Å	1.12Å
C40	H402	sing	1.09Å	1.11Å
C41	C42	sing	1.53Å	1.53Å
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	1.12Å
C43	C44	sing	1.53Å	1.53Å
C43	H431	sing	1.09Å	1.12Å
C43	H432	sing	1.09Å	1.11Å
C44	H441	sing	1.09Å	1.11Å
C44	H442	sing	1.09Å	1.11Å
C44	H443	sing	1.09Å	1.12Å
O1P	P	doub	1.54Å	1.52Å
O2P	P	sing	1.55Å	1.53Å
O3P	P	sing	1.61Å	1.56Å
O4P	P	sing	1.61Å	1.55Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O3P	111.0°	109.5°
C2	C1	H11	111.7°	109.5°
C2	C1	H12	111.7°	109.5°
C1	C2	C3	112.6°	109.5°
C1	C2	O2	107.8°	109.5°
C1	C2	H2	109.4°	109.5°
O3P	C1	H11	111.6°	109.4°
O3P	C1	H12	111.6°	109.4°
C1	O3P	P	114.4°	106.8°
H11	C1	H12	98.7°	109.5°
C3	C2	O2	112.0°	109.4°
C3	C2	H2	105.0°	109.4°
C2	C3	O3	111.1°	109.5°
C2	C3	H31	111.6°	109.5°
C2	C3	H32	111.6°	109.5°
O2	C2	H2	110.1°	109.5°
C2	O2	C31	127.7°	120.0°
O3	C3	H31	111.6°	109.4°
O3	C3	H32	111.6°	109.5°
C3	O3	C11	117.5°	120.0°
H31	C3	H32	98.8°	109.4°
C5	C4	O4P	109.9°	109.5°
C5	C4	H41	112.0°	109.5°
C5	C4	H42	112.1°	109.5°
C4	C5	N	114.0°	109.5°
C4	C5	H51	110.6°	109.4°
C4	C5	H52	110.6°	109.5°
O4P	C4	H41	112.0°	109.5°
O4P	C4	H42	112.1°	109.4°
C4	O4P	P	111.3°	106.8°
H41	C4	H42	98.3°	109.5°
N	C5	H51	110.5°	109.5°
N	C5	H52	110.6°	109.4°
C5	N	C6	110.7°	109.5°
C5	N	C7	109.2°	109.5°
C5	N	C8	110.9°	109.5°
H51	C5	H52	99.7°	109.5°
N	C6	H61	110.7°	109.5°
N	C6	H62	111.7°	109.5°
N	C6	H63	111.7°	109.5°
C6	N	C7	108.6°	109.5°
C6	N	C8	109.0°	109.5°
H61	C6	H62	111.8°	109.5°
H61	C6	H63	111.7°	109.5°
H62	C6	H63	98.7°	109.4°
N	C7	H71	109.2°	109.5°
N	C7	H72	112.3°	109.5°
N	C7	H73	112.3°	109.5°
C7	N	C8	108.4°	109.5°
H71	C7	H72	112.3°	109.5°
H71	C7	H73	112.3°	109.5°
H72	C7	H73	98.1°	109.5°
N	C8	H81	110.9°	109.5°
N	C8	H82	111.7°	109.4°
N	C8	H83	111.7°	109.4°
H81	C8	H82	111.6°	109.5°
H81	C8	H83	111.7°	109.5°
H82	C8	H83	98.7°	109.5°
C12	C11	O3	118.7°	120.0°
C12	C11	O11	121.2°	120.0°
C11	C12	C13	115.7°	109.5°
C11	C12	H121	109.9°	109.5°
C11	C12	H122	109.9°	109.5°
O3	C11	O11	120.0°	120.0°
C13	C12	H121	110.0°	109.4°
C13	C12	H122	109.9°	109.5°
C12	C13	C14	112.6°	109.5°
C12	C13	H131	111.0°	109.5°
C12	C13	H132	111.1°	109.5°
H121	C12	H122	100.3°	109.5°
C14	C13	H131	111.1°	109.4°
C14	C13	H132	111.1°	109.5°
C13	C14	C15	112.6°	109.5°
C13	C14	H141	111.0°	109.5°
C13	C14	H142	111.1°	109.5°
H131	C13	H132	99.3°	109.5°
C15	C14	H141	111.1°	109.5°
C15	C14	H142	111.1°	109.4°
C14	C15	C16	112.0°	109.5°
C14	C15	H151	111.3°	109.5°
C14	C15	H152	111.3°	109.4°
H141	C14	H142	99.3°	109.5°
C16	C15	H151	111.3°	109.5°
C16	C15	H152	111.3°	109.4°
C15	C16	C17	110.6°	109.5°
C15	C16	H161	111.8°	109.5°
C15	C16	H162	111.7°	109.4°
H151	C15	H152	99.0°	109.5°
C17	C16	H161	111.8°	109.5°
C17	C16	H162	111.8°	109.4°
C16	C17	C18	113.1°	109.5°
C16	C17	H171	110.9°	109.5°
C16	C17	H172	110.9°	109.4°
H161	C16	H162	98.7°	109.5°
C18	C17	H171	110.9°	109.4°
C18	C17	H172	110.9°	109.5°
C17	C18	C19	112.2°	109.5°
C17	C18	H181	111.2°	109.5°
C17	C18	H182	111.2°	109.5°
H171	C17	H172	99.4°	109.5°
C19	C18	H181	111.2°	109.4°
C19	C18	H182	111.3°	109.5°
C18	C19	C20	111.9°	109.5°
C18	C19	H191	111.3°	109.5°
C18	C19	H192	111.3°	109.5°
H181	C18	H182	99.1°	109.5°
C20	C19	H191	111.4°	109.4°
C20	C19	H192	111.3°	109.5°
C19	C20	C21	111.0°	109.5°
C19	C20	H201	111.6°	109.5°
C19	C20	H202	111.6°	109.5°
H191	C19	H192	99.1°	109.5°
C21	C20	H201	111.6°	109.4°
C21	C20	H202	111.7°	109.5°
C20	C21	C22	111.4°	109.5°
C20	C21	H211	111.5°	109.5°
C20	C21	H212	111.5°	109.5°
H201	C20	H202	98.8°	109.5°
C22	C21	H211	111.6°	109.4°
C22	C21	H212	111.5°	109.5°
C21	C22	C23	111.8°	109.5°
C21	C22	H221	111.3°	109.5°
C21	C22	H222	111.3°	109.5°
H211	C21	H212	98.8°	109.5°
C23	C22	H221	111.3°	109.5°
C23	C22	H222	111.4°	109.4°
C22	C23	C24	111.0°	109.5°
C22	C23	H231	111.6°	109.5°
C22	C23	H232	111.6°	109.4°
H221	C22	H222	99.0°	109.5°
C24	C23	H231	111.7°	109.5°
C24	C23	H232	111.7°	109.4°
C23	C24	H241	111.0°	109.5°
C23	C24	H242	111.6°	109.4°
C23	C24	H243	111.6°	109.5°
H231	C23	H232	98.7°	109.5°
H241	C24	H242	111.7°	109.5°
H241	C24	H243	111.7°	109.5°
H242	C24	H243	98.7°	109.5°
C32	C31	O2	122.4°	120.0°
C32	C31	O31	118.4°	120.0°
C31	C32	C33	115.3°	109.5°
C31	C32	H321	110.1°	109.4°
C31	C32	H322	110.1°	109.5°
O2	C31	O31	119.2°	120.0°
C33	C32	H321	110.1°	109.5°
C33	C32	H322	110.1°	109.5°
C32	C33	C34	114.3°	109.5°
C32	C33	H331	110.4°	109.4°
C32	C33	H332	110.4°	109.5°
H321	C32	H322	100.1°	109.4°
C34	C33	H331	110.5°	109.4°
C34	C33	H332	110.5°	109.5°
C33	C34	C35	112.8°	109.5°
C33	C34	H341	110.9°	109.5°
C33	C34	H342	111.0°	109.5°
H331	C33	H332	99.8°	109.5°
C35	C34	H341	111.0°	109.5°
C35	C34	H342	111.0°	109.4°
C34	C35	C36	113.9°	109.5°
C34	C35	H351	110.6°	109.5°
C34	C35	H352	110.6°	109.4°
H341	C34	H342	99.3°	109.5°
C36	C35	H351	110.6°	109.5°
C36	C35	H352	110.6°	109.5°
C35	C36	C37	110.9°	109.4°
C35	C36	H361	111.7°	109.5°
C35	C36	H362	111.7°	109.5°
H351	C35	H352	99.7°	109.5°
C37	C36	H361	111.7°	109.5°
C37	C36	H362	111.7°	109.5°
C36	C37	C38	112.5°	109.4°
C36	C37	H371	111.1°	109.5°
C36	C37	H372	111.1°	109.5°
H361	C36	H362	98.7°	109.5°
C38	C37	H371	111.1°	109.4°
C38	C37	H372	111.1°	109.4°
C37	C38	C39	111.6°	109.5°
C37	C38	H381	111.4°	109.5°
C37	C38	H382	111.4°	109.5°
H371	C37	H372	99.2°	109.5°
C39	C38	H381	111.5°	109.4°
C39	C38	H382	111.4°	109.5°
C38	C39	C40	113.2°	109.4°
C38	C39	H391	110.8°	109.4°
C38	C39	H392	110.8°	109.5°
H381	C38	H382	98.9°	109.5°
C40	C39	H391	110.8°	109.5°
C40	C39	H392	110.8°	109.5°
C39	C40	C41	112.3°	109.5°
C39	C40	H401	111.2°	109.5°
C39	C40	H402	111.2°	109.5°
H391	C39	H392	99.5°	109.4°
C41	C40	H401	111.2°	109.5°
C41	C40	H402	111.2°	109.4°
C40	C41	C42	112.5°	109.5°
C40	C41	H411	111.1°	109.4°
C40	C41	H412	111.1°	109.4°
H401	C40	H402	99.2°	109.5°
C42	C41	H411	111.1°	109.5°
C42	C41	H412	111.1°	109.5°
C41	C42	C43	112.0°	109.5°
C41	C42	H421	111.3°	109.4°
C41	C42	H422	111.3°	109.5°
H411	C41	H412	99.3°	109.5°
C43	C42	H421	111.3°	109.5°
C43	C42	H422	111.3°	109.5°
C42	C43	C44	112.1°	109.5°
C42	C43	H431	111.2°	109.4°
C42	C43	H432	111.2°	109.5°
H421	C42	H422	99.0°	109.4°
C44	C43	H431	111.2°	109.4°
C44	C43	H432	111.3°	109.5°
C43	C44	H441	112.1°	109.5°
C43	C44	H442	111.3°	109.5°
C43	C44	H443	111.2°	109.5°
H431	C43	H432	99.1°	109.5°
H441	C44	H442	111.3°	109.4°
H441	C44	H443	111.3°	109.5°
H442	C44	H443	99.1°	109.5°
O1P	P	O2P	108.9°	109.5°
O1P	P	O3P	110.3°	109.4°
O1P	P	O4P	109.0°	109.5°
O2P	P	O3P	109.8°	109.5°
O2P	P	O4P	108.7°	109.5°
O3P	P	O4P	110.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O3P	H11	125.3°	120.0°
C2	C1	O3P	H12	125.3°	120.0°
C2	C1	H11	H12	117.6°	120.1°
C1	C2	C3	O2	121.6°	120.0°
C1	C2	C3	H2	118.9°	120.0°
C1	C2	O2	H2	119.2°	120.1°
C1	C2	C3	O3	0.5°	55.0°
C1	C2	C3	H31	125.7°	65.0°
C1	C2	C3	H32	124.7°	175.0°
C1	C2	O2	C31	62.1°	90.0°
C2	C1	O3P	P	91.0°	180.0°
O3P	C1	H11	H12	117.5°	119.9°
O3P	C1	C2	C3	146.7°	55.0°
O3P	C1	C2	O2	89.3°	65.0°
O3P	C1	C2	H2	30.4°	175.0°
C1	O3P	P	O1P	47.1°	65.0°
C1	O3P	P	O2P	73.0°	55.0°
C1	O3P	P	O4P	167.4°	175.0°
H11	C1	C2	C3	88.0°	65.0°
H11	C1	C2	O2	36.0°	175.1°
H11	C1	C2	H2	155.7°	55.0°
H11	C1	O3P	P	143.7°	60.0°
H12	C1	C2	C3	21.5°	175.0°
H12	C1	C2	O2	145.5°	55.0°
H12	C1	C2	H2	94.8°	65.0°
H12	C1	O3P	P	34.3°	60.0°
C3	C2	O2	H2	116.4°	119.9°
C2	C3	O3	H31	125.2°	120.0°
C2	C3	O3	H32	125.2°	120.1°
C2	C3	H31	H32	117.5°	120.1°
C2	C3	O3	C11	178.8°	180.0°
C3	C2	O2	C31	62.3°	150.0°
O2	C2	C3	O3	121.2°	65.0°
O2	C2	C3	H31	4.1°	175.0°
O2	C2	C3	H32	113.6°	55.0°
C2	O2	C31	C32	0.2°	180.0°
C2	O2	C31	O31	179.8°	0.0°
H2	C2	C3	O3	119.4°	175.0°
H2	C2	C3	H31	115.4°	55.1°
H2	C2	C3	H32	5.9°	65.0°
H2	C2	O2	C31	178.7°	30.0°
O3	C3	H31	H32	117.5°	119.9°
C3	O3	C11	C12	0.4°	180.0°
C3	O3	C11	O11	179.9°	0.0°
H31	C3	O3	C11	53.6°	60.0°
H32	C3	O3	C11	56.0°	60.0°
C5	C4	O4P	H41	125.2°	120.0°
C5	C4	O4P	H42	125.3°	120.0°
C5	C4	H41	H42	118.0°	120.0°
C4	C5	N	H51	125.3°	119.9°
C4	C5	N	H52	125.3°	120.0°
C4	C5	H51	H52	116.4°	120.1°
C4	C5	N	C6	60.7°	54.4°
C4	C5	N	C7	179.8°	174.4°
C4	C5	N	C8	60.4°	65.6°
C5	C4	O4P	P	114.7°	180.0°
O4P	C4	H41	H42	118.0°	120.0°
O4P	C4	C5	N	179.4°	66.6°
O4P	C4	C5	H51	55.3°	173.5°
O4P	C4	C5	H52	54.2°	53.4°
C4	O4P	P	O1P	90.1°	65.0°
C4	O4P	P	O2P	151.3°	55.0°
C4	O4P	P	O3P	31.0°	175.0°
H41	C4	C5	N	55.3°	53.5°
H41	C4	C5	H51	69.9°	66.5°
H41	C4	C5	H52	179.4°	173.4°
H41	C4	O4P	P	120.0°	60.0°
H42	C4	C5	N	54.1°	173.5°
H42	C4	C5	H51	179.4°	53.5°
H42	C4	C5	H52	71.2°	66.5°
H42	C4	O4P	P	10.6°	60.0°
N	C5	H51	H52	116.4°	120.0°
C5	N	C6	C7	119.9°	120.0°
C5	N	C6	C8	122.2°	120.0°
C5	N	C6	H61	180.0°	60.0°
C5	N	C6	H62	54.7°	180.0°
C5	N	C6	H63	54.8°	60.0°
C5	N	C7	C8	121.0°	120.0°
C5	N	C7	H71	180.0°	60.0°
C5	N	C7	H72	54.8°	180.0°
C5	N	C7	H73	54.7°	60.0°
C5	N	C8	H81	180.0°	71.0°
C5	N	C8	H82	54.7°	169.0°
C5	N	C8	H83	54.7°	49.1°
H51	C5	N	C6	174.1°	65.5°
H51	C5	N	C7	54.5°	54.5°
H51	C5	N	C8	64.9°	174.5°
H52	C5	N	C6	64.6°	174.4°
H52	C5	N	C7	54.9°	65.6°
H52	C5	N	C8	174.3°	54.4°
N	C6	H61	H62	125.3°	120.0°
N	C6	H61	H63	125.2°	120.0°
N	C6	H62	H63	117.7°	120.0°
C6	N	C7	C8	118.2°	120.0°
C6	N	C7	H71	59.2°	180.0°
C6	N	C7	H72	175.6°	60.0°
C6	N	C7	H73	66.1°	60.0°
C6	N	C8	H81	57.9°	49.0°
C6	N	C8	H82	67.4°	71.0°
C6	N	C8	H83	176.8°	169.0°
H61	C6	H62	H63	117.6°	120.0°
H61	C6	N	C7	60.1°	60.0°
H61	C6	N	C8	57.7°	180.0°
H62	C6	N	C7	65.2°	60.0°
H62	C6	N	C8	177.0°	60.0°
H63	C6	N	C7	174.7°	180.0°
H63	C6	N	C8	67.5°	60.0°
N	C7	H71	H72	125.2°	120.0°
N	C7	H71	H73	125.3°	120.0°
N	C7	H72	H73	118.2°	120.0°
C7	N	C8	H81	60.1°	169.0°
C7	N	C8	H82	174.6°	49.0°
C7	N	C8	H83	65.2°	70.9°
H71	C7	H72	H73	118.2°	120.0°
H71	C7	N	C8	59.0°	60.0°
H72	C7	N	C8	66.2°	60.0°
H73	C7	N	C8	175.7°	180.0°
N	C8	H81	H82	125.3°	120.0°
N	C8	H81	H83	125.3°	120.0°
N	C8	H82	H83	117.6°	119.9°
H81	C8	H82	H83	117.5°	120.0°
C12	C11	O3	O11	179.5°	180.0°
C11	C12	C13	H121	125.2°	120.0°
C11	C12	C13	H122	125.2°	120.0°
C11	C12	H121	H122	115.7°	120.0°
C11	C12	C13	C14	100.8°	180.0°
C11	C12	C13	H131	133.9°	60.0°
C11	C12	C13	H132	24.5°	60.0°
O3	C11	C12	C13	157.2°	180.0°
O3	C11	C12	H121	77.5°	60.0°
O3	C11	C12	H122	32.0°	60.0°
O11	C11	C12	C13	23.3°	0.0°
O11	C11	C12	H121	102.0°	120.0°
O11	C11	C12	H122	148.5°	120.0°
C13	C12	H121	H122	115.8°	120.0°
C12	C13	C14	H131	125.3°	120.0°
C12	C13	C14	H132	125.3°	120.0°
C12	C13	H131	H132	116.9°	120.0°
C12	C13	C14	C15	151.8°	180.0°
C12	C13	C14	H141	26.5°	60.0°
C12	C13	C14	H142	83.0°	60.0°
H121	C12	C13	C14	24.5°	60.0°
H121	C12	C13	H131	100.8°	180.0°
H121	C12	C13	H132	149.7°	60.0°
H122	C12	C13	C14	134.0°	60.0°
H122	C12	C13	H131	8.7°	60.0°
H122	C12	C13	H132	100.7°	180.0°
C14	C13	H131	H132	116.9°	120.0°
C13	C14	C15	H141	125.2°	120.0°
C13	C14	C15	H142	125.2°	120.0°
C13	C14	H141	H142	116.9°	120.0°
C13	C14	C15	C16	120.2°	180.0°
C13	C14	C15	H151	5.1°	60.0°
C13	C14	C15	H152	114.5°	60.0°
H131	C13	C14	C15	83.0°	60.0°
H131	C13	C14	H141	151.8°	180.0°
H131	C13	C14	H142	42.3°	60.0°
H132	C13	C14	C15	26.5°	60.0°
H132	C13	C14	H141	98.7°	60.0°
H132	C13	C14	H142	151.8°	180.0°
C15	C14	H141	H142	117.0°	120.0°
C14	C15	C16	H151	125.3°	120.1°
C14	C15	C16	H152	125.3°	120.0°
C14	C15	H151	H152	117.1°	120.0°
C14	C15	C16	C17	179.7°	180.0°
C14	C15	C16	H161	54.4°	60.0°
C14	C15	C16	H162	55.1°	60.0°
H141	C14	C15	C16	114.6°	59.9°
H141	C14	C15	H151	120.1°	180.0°
H141	C14	C15	H152	10.7°	60.0°
H142	C14	C15	C16	5.1°	60.0°
H142	C14	C15	H151	130.4°	60.0°
H142	C14	C15	H152	120.2°	180.0°
C16	C15	H151	H152	117.2°	119.9°
C15	C16	C17	H161	125.2°	120.1°
C15	C16	C17	H162	125.2°	119.9°
C15	C16	H161	H162	117.7°	120.0°
C15	C16	C17	C18	134.2°	180.0°
C15	C16	C17	H171	100.5°	60.0°
C15	C16	C17	H172	8.9°	60.0°
H151	C15	C16	C17	55.0°	59.9°
H151	C15	C16	H161	179.7°	180.0°
H151	C15	C16	H162	70.2°	60.0°
H152	C15	C16	C17	54.4°	60.0°
H152	C15	C16	H161	70.9°	60.0°
H152	C15	C16	H162	179.6°	180.0°
C17	C16	H161	H162	117.7°	120.0°
C16	C17	C18	H171	125.3°	120.0°
C16	C17	C18	H172	125.3°	120.0°
C16	C17	H171	H172	116.7°	120.0°
C16	C17	C18	C19	90.5°	180.0°
C16	C17	C18	H181	144.3°	60.0°
C16	C17	C18	H182	34.8°	60.0°
H161	C16	C17	C18	9.0°	60.0°
H161	C16	C17	H171	134.2°	180.0°
H161	C16	C17	H172	116.3°	60.0°
H162	C16	C17	C18	100.6°	60.0°
H162	C16	C17	H171	24.7°	60.0°
H162	C16	C17	H172	134.1°	180.0°
C18	C17	H171	H172	116.8°	120.0°
C17	C18	C19	H181	125.2°	120.0°
C17	C18	C19	H182	125.2°	120.0°
C17	C18	H181	H182	117.0°	120.0°
C17	C18	C19	C20	165.2°	180.0°
C17	C18	C19	H191	39.9°	60.0°
C17	C18	C19	H192	69.5°	60.0°
H171	C17	C18	C19	34.8°	60.0°
H171	C17	C18	H181	90.5°	180.0°
H171	C17	C18	H182	160.1°	60.0°
H172	C17	C18	C19	144.2°	60.0°
H172	C17	C18	H181	19.0°	60.0°
H172	C17	C18	H182	90.4°	180.0°
C19	C18	H181	H182	117.2°	120.0°
C18	C19	C20	H191	125.3°	120.0°
C18	C19	C20	H192	125.2°	120.0°
C18	C19	H191	H192	117.2°	120.0°
C18	C19	C20	C21	169.8°	180.0°
C18	C19	C20	H201	44.6°	60.0°
C18	C19	C20	H202	64.9°	60.0°
H181	C18	C19	C20	69.5°	60.0°
H181	C18	C19	H191	165.2°	180.0°
H181	C18	C19	H192	55.7°	60.0°
H182	C18	C19	C20	40.0°	60.0°
H182	C18	C19	H191	85.3°	60.0°
H182	C18	C19	H192	165.2°	180.0°
C20	C19	H191	H192	117.3°	120.0°
C19	C20	C21	H201	125.2°	120.0°
C19	C20	C21	H202	125.3°	120.0°
C19	C20	H201	H202	117.5°	120.0°
C19	C20	C21	C22	173.2°	180.0°
C19	C20	C21	H211	47.8°	60.0°
C19	C20	C21	H212	61.6°	60.0°
H191	C19	C20	C21	64.9°	60.0°
H191	C19	C20	H201	169.8°	180.0°
H191	C19	C20	H202	60.4°	60.0°
H192	C19	C20	C21	44.6°	60.0°
H192	C19	C20	H201	80.6°	60.0°
H192	C19	C20	H202	169.9°	180.0°
C21	C20	H201	H202	117.6°	120.0°
C20	C21	C22	H211	125.3°	120.0°
C20	C21	C22	H212	125.3°	120.0°
C20	C21	H211	H212	117.4°	120.0°
C20	C21	C22	C23	120.2°	180.0°
C20	C21	C22	H221	5.1°	60.0°
C20	C21	C22	H222	114.5°	60.0°
H201	C20	C21	C22	61.6°	60.0°
H201	C20	C21	H211	173.1°	180.0°
H201	C20	C21	H212	63.7°	60.0°
H202	C20	C21	C22	47.9°	60.0°
H202	C20	C21	H211	77.4°	60.0°
H202	C20	C21	H212	173.2°	NaN°
C22	C21	H211	H212	117.4°	120.0°
C21	C22	C23	H221	125.2°	120.0°
C21	C22	C23	H222	125.3°	120.0°
C21	C22	H221	H222	117.2°	120.0°
C21	C22	C23	C24	180.0°	180.0°
C21	C22	C23	H231	54.7°	60.0°
C21	C22	C23	H232	54.7°	60.0°
H211	C21	C22	C23	114.5°	60.0°
H211	C21	C22	H221	120.2°	180.0°
H211	C21	C22	H222	10.8°	60.0°
H212	C21	C22	C23	5.1°	60.0°
H212	C21	C22	H221	130.3°	60.0°
H212	C21	C22	H222	120.2°	180.0°
C23	C22	H221	H222	117.3°	120.0°
C22	C23	C24	H231	125.3°	120.0°
C22	C23	C24	H232	125.3°	120.0°
C22	C23	H231	H232	117.5°	120.0°
C22	C23	C24	H241	180.0°	180.0°
C22	C23	C24	H242	54.7°	60.0°
C22	C23	C24	H243	54.7°	59.9°
H221	C22	C23	C24	54.7°	59.9°
H221	C22	C23	H231	180.0°	180.0°
H221	C22	C23	H232	70.6°	60.0°
H222	C22	C23	C24	54.8°	60.0°
H222	C22	C23	H231	70.5°	60.0°
H222	C22	C23	H232	179.9°	180.0°
C24	C23	H231	H232	117.6°	120.0°
C23	C24	H241	H242	125.2°	119.9°
C23	C24	H241	H243	125.3°	120.0°
C23	C24	H242	H243	117.5°	120.0°
H231	C23	C24	H241	54.7°	60.0°
H231	C23	C24	H242	180.0°	60.0°
H231	C23	C24	H243	70.6°	180.0°
H232	C23	C24	H241	54.7°	60.0°
H232	C23	C24	H242	70.6°	180.0°
H232	C23	C24	H243	180.0°	60.0°
H241	C24	H242	H243	117.6°	120.1°
C32	C31	O2	O31	179.6°	180.0°
C31	C32	C33	H321	125.3°	120.0°
C31	C32	C33	H322	125.3°	120.0°
C31	C32	H321	H322	115.9°	119.9°
C31	C32	C33	C34	60.0°	180.0°
C31	C32	C33	H331	65.3°	60.0°
C31	C32	C33	H332	174.8°	60.0°
O2	C31	C32	C33	93.0°	180.0°
O2	C31	C32	H321	32.3°	60.0°
O2	C31	C32	H322	141.7°	59.9°
O31	C31	C32	C33	87.4°	0.0°
O31	C31	C32	H321	147.4°	120.0°
O31	C31	C32	H322	37.9°	120.1°
C33	C32	H321	H322	115.9°	120.0°
C32	C33	C34	H331	125.2°	119.9°
C32	C33	C34	H332	125.3°	120.0°
C32	C33	H331	H332	116.2°	120.0°
C32	C33	C34	C35	163.7°	180.0°
C32	C33	C34	H341	38.4°	60.0°
C32	C33	C34	H342	71.1°	60.0°
H321	C32	C33	C34	174.8°	60.0°
H321	C32	C33	H331	59.9°	180.0°
H321	C32	C33	H332	49.5°	60.0°
H322	C32	C33	C34	65.3°	60.0°
H322	C32	C33	H331	169.4°	60.0°
H322	C32	C33	H332	60.0°	180.0°
C34	C33	H331	H332	116.3°	120.0°
C33	C34	C35	H341	125.2°	120.0°
C33	C34	C35	H342	125.3°	120.0°
C33	C34	H341	H342	116.8°	120.0°
C33	C34	C35	C36	69.7°	180.0°
C33	C34	C35	H351	55.5°	60.0°
C33	C34	C35	H352	165.0°	60.0°
H331	C33	C34	C35	71.1°	60.0°
H331	C33	C34	H341	163.6°	180.0°
H331	C33	C34	H342	54.2°	60.0°
H332	C33	C34	C35	38.4°	60.0°
H332	C33	C34	H341	86.9°	60.0°
H332	C33	C34	H342	163.7°	180.0°
C35	C34	H341	H342	116.9°	119.9°
C34	C35	C36	H351	125.2°	120.0°
C34	C35	C36	H352	125.3°	120.0°
C34	C35	H351	H352	116.4°	120.0°
C34	C35	C36	C37	172.1°	180.0°
C34	C35	C36	H361	62.5°	60.0°
C34	C35	C36	H362	46.9°	60.0°
H341	C34	C35	C36	165.0°	60.0°
H341	C34	C35	H351	69.7°	180.0°
H341	C34	C35	H352	39.7°	60.0°
H342	C34	C35	C36	55.5°	60.0°
H342	C34	C35	H351	179.2°	60.1°
H342	C34	C35	H352	69.8°	179.9°
C36	C35	H351	H352	116.5°	120.0°
C35	C36	C37	H361	125.3°	120.0°
C35	C36	C37	H362	125.2°	120.0°
C35	C36	H361	H362	117.5°	120.0°
C35	C36	C37	C38	179.4°	180.0°
C35	C36	C37	H371	54.1°	60.0°
C35	C36	C37	H372	55.3°	60.1°
H351	C35	C36	C37	46.9°	60.0°
H351	C35	C36	H361	172.2°	180.0°
H351	C35	C36	H362	78.4°	60.0°
H352	C35	C36	C37	62.6°	60.0°
H352	C35	C36	H361	62.7°	59.9°
H352	C35	C36	H362	172.2°	180.0°
C37	C36	H361	H362	117.6°	120.0°
C36	C37	C38	H371	125.2°	120.0°
C36	C37	C38	H372	125.3°	120.0°
C36	C37	H371	H372	117.0°	120.1°
C36	C37	C38	C39	158.1°	180.0°
C36	C37	C38	H381	32.8°	60.0°
C36	C37	C38	H382	76.7°	60.0°
H361	C36	C37	C38	55.3°	60.0°
H361	C36	C37	H371	179.4°	180.0°
H361	C36	C37	H372	70.0°	59.9°
H362	C36	C37	C38	54.1°	60.0°
H362	C36	C37	H371	71.1°	59.9°
H362	C36	C37	H372	179.4°	180.0°
C38	C37	H371	H372	117.0°	119.9°
C37	C38	C39	H381	125.3°	120.0°
C37	C38	C39	H382	125.2°	120.0°
C37	C38	H381	H382	117.3°	120.0°
C37	C38	C39	C40	77.6°	180.0°
C37	C38	C39	H391	47.6°	60.0°
C37	C38	C39	H392	157.2°	60.0°
H371	C37	C38	C39	76.7°	60.0°
H371	C37	C38	H381	158.0°	180.0°
H371	C37	C38	H382	48.6°	60.0°
H372	C37	C38	C39	32.8°	60.0°
H372	C37	C38	H381	92.5°	60.0°
H372	C37	C38	H382	158.0°	180.0°
C39	C38	H381	H382	117.3°	120.0°
C38	C39	C40	H391	125.2°	119.9°
C38	C39	C40	H392	125.2°	120.0°
C38	C39	H391	H392	116.7°	120.0°
C38	C39	C40	C41	120.5°	180.0°
C38	C39	C40	H401	4.8°	60.0°
C38	C39	C40	H402	114.2°	60.0°
H381	C38	C39	C40	157.1°	60.0°
H381	C38	C39	H391	77.7°	180.0°
H381	C38	C39	H392	31.9°	60.0°
H382	C38	C39	C40	47.6°	60.0°
H382	C38	C39	H391	172.9°	60.0°
H382	C38	C39	H392	77.6°	179.9°
C40	C39	H391	H392	116.7°	120.1°
C39	C40	C41	H401	125.3°	120.0°
C39	C40	C41	H402	125.3°	120.0°
C39	C40	H401	H402	117.1°	120.0°
C39	C40	C41	C42	162.6°	180.0°
C39	C40	C41	H411	37.4°	60.0°
C39	C40	C41	H412	72.1°	60.0°
H391	C39	C40	C41	114.3°	60.0°
H391	C39	C40	H401	120.5°	180.0°
H391	C39	C40	H402	11.0°	59.9°
H392	C39	C40	C41	4.7°	60.0°
H392	C39	C40	H401	130.0°	60.0°
H392	C39	C40	H402	120.6°	179.9°
C41	C40	H401	H402	117.1°	120.0°
C40	C41	C42	H411	125.3°	120.0°
C40	C41	C42	H412	125.2°	120.0°
C40	C41	H411	H412	117.0°	119.9°
C40	C41	C42	C43	86.1°	180.0°
C40	C41	C42	H421	148.6°	60.0°
C40	C41	C42	H422	39.2°	60.0°
H401	C40	C41	C42	72.1°	60.0°
H401	C40	C41	H411	162.6°	180.0°
H401	C40	C41	H412	53.1°	60.1°
H402	C40	C41	C42	37.4°	60.0°
H402	C40	C41	H411	87.9°	60.0°
H402	C40	C41	H412	162.6°	179.9°
C42	C41	H411	H412	117.0°	120.0°
C41	C42	C43	H421	125.3°	120.0°
C41	C42	C43	H422	125.3°	120.0°
C41	C42	H421	H422	117.1°	120.0°
C41	C42	C43	C44	113.1°	180.0°
C41	C42	C43	H431	121.7°	60.0°
C41	C42	C43	H432	12.2°	59.9°
H411	C41	C42	C43	39.2°	60.0°
H411	C41	C42	H421	86.1°	180.0°
H411	C41	C42	H422	164.5°	60.0°
H412	C41	C42	C43	148.7°	60.0°
H412	C41	C42	H421	23.4°	60.0°
H412	C41	C42	H422	86.0°	180.0°
C43	C42	H421	H422	117.2°	120.0°
C42	C43	C44	H431	125.2°	119.9°
C42	C43	C44	H432	125.3°	120.0°
C42	C43	H431	H432	117.1°	120.0°
C42	C43	C44	H441	180.0°	180.0°
C42	C43	C44	H442	54.7°	60.0°
C42	C43	C44	H443	54.7°	60.0°
H421	C42	C43	C44	12.2°	60.0°
H421	C42	C43	H431	113.0°	180.0°
H421	C42	C43	H432	137.5°	60.0°
H422	C42	C43	C44	121.7°	60.0°
H422	C42	C43	H431	3.6°	60.0°
H422	C42	C43	H432	113.0°	180.0°
C44	C43	H431	H432	117.2°	120.0°
C43	C44	H441	H442	125.3°	120.0°
C43	C44	H441	H443	125.3°	120.1°
C43	C44	H442	H443	117.1°	120.0°
H431	C43	C44	H441	54.8°	60.0°
H431	C43	C44	H442	179.9°	180.0°
H431	C43	C44	H443	70.5°	60.0°
H432	C43	C44	H441	54.7°	60.0°
H432	C43	C44	H442	70.6°	60.0°
H432	C43	C44	H443	180.0°	NaN°
H441	C44	H442	H443	117.1°	119.9°
O1P	P	O2P	O3P	120.9°	120.0°
O1P	P	O2P	O4P	118.7°	120.0°
O1P	P	O3P	O4P	120.4°	120.0°
O2P	P	O3P	O4P	119.6°	120.0°

Definition date:	2005-10-18
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2B6O