3PH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O13	P	sing	1.61Å	1.62Å
O13	H13	sing	0.97Å	0.95Å
P	O14	sing	1.61Å	1.52Å
P	O12	doub	1.48Å	1.57Å
P	O11	sing	1.61Å	1.57Å
O11	C1	sing	1.43Å	1.49Å
C1	C2	sing	1.53Å	1.60Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C2	O21	sing	1.45Å	1.46Å
C2	C3	sing	1.53Å	1.58Å
C2	H2	sing	1.09Å	1.10Å
O21	C21	sing	1.34Å	1.39Å
C21	O22	doub	1.21Å	1.18Å
C21	C22	sing	1.51Å	1.50Å
C22	C23	sing	1.53Å	1.52Å
C22	H221	sing	1.09Å	1.10Å
C22	H222	sing	1.09Å	1.10Å
C23	C24	sing	1.53Å	1.52Å
C23	H231	sing	1.09Å	1.10Å
C23	H232	sing	1.09Å	1.10Å
C24	C25	sing	1.53Å	1.54Å
C24	H241	sing	1.09Å	1.10Å
C24	H242	sing	1.09Å	1.10Å
C25	C26	sing	1.53Å	1.56Å
C25	H251	sing	1.09Å	1.10Å
C25	H252	sing	1.09Å	1.10Å
C26	C27	sing	1.53Å	1.55Å
C26	H261	sing	1.09Å	1.10Å
C26	H262	sing	1.09Å	1.10Å
C27	C28	sing	1.53Å	1.56Å
C27	H271	sing	1.09Å	1.10Å
C27	H272	sing	1.09Å	1.10Å
C28	C29	sing	1.53Å	1.58Å
C28	H281	sing	1.09Å	1.10Å
C28	H282	sing	1.09Å	1.10Å
C29	C2A	sing	1.53Å	1.49Å
C29	H291	sing	1.09Å	1.10Å
C29	H292	sing	1.09Å	1.10Å
C2A	C2B	sing	1.53Å	1.52Å
C2A	H2A1	sing	1.09Å	1.10Å
C2A	H2A2	sing	1.09Å	1.10Å
C2B	C2C	sing	1.53Å	1.48Å
C2B	H2B1	sing	1.09Å	1.10Å
C2B	H2B2	sing	1.09Å	1.10Å
C2C	C2D	sing	1.53Å	1.48Å
C2C	H2C1	sing	1.09Å	1.10Å
C2C	H2C2	sing	1.09Å	1.10Å
C2D	C2E	sing	1.53Å	1.48Å
C2D	H2D1	sing	1.09Å	1.10Å
C2D	H2D2	sing	1.09Å	1.10Å
C2E	C2F	sing	1.53Å	1.46Å
C2E	H2E1	sing	1.09Å	1.10Å
C2E	H2E2	sing	1.09Å	1.10Å
C2F	C2G	sing	1.53Å	56.30Å
C2F	H2F1	sing	1.09Å	1.10Å
C2F	H2F2	sing	1.09Å	1.10Å
C2G	C2H	sing	1.53Å	0.00Å
C2G	H2G1	sing	1.09Å	0.00Å
C2G	H2G2	sing	1.09Å	0.00Å
C2H	C2I	sing	1.53Å	0.00Å
C2H	H2H1	sing	1.09Å	0.00Å
C2H	H2H2	sing	1.09Å	0.00Å
C2I	H2I1	sing	1.09Å	0.00Å
C2I	H2I2	sing	1.09Å	0.00Å
C2I	H2I3	sing	1.09Å	0.00Å
C3	O31	sing	1.45Å	1.44Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
O31	C31	sing	1.34Å	1.38Å
C31	O32	doub	1.21Å	1.18Å
C31	C32	sing	1.51Å	1.57Å
C32	C33	sing	1.53Å	1.55Å
C32	H321	sing	1.09Å	1.10Å
C32	H322	sing	1.09Å	1.10Å
C33	C34	sing	1.53Å	1.55Å
C33	H331	sing	1.09Å	1.10Å
C33	H332	sing	1.09Å	1.10Å
C34	C35	sing	1.53Å	1.54Å
C34	H341	sing	1.09Å	1.10Å
C34	H342	sing	1.09Å	1.10Å
C35	C36	sing	1.53Å	1.53Å
C35	H351	sing	1.09Å	1.10Å
C35	H352	sing	1.09Å	1.10Å
C36	C37	sing	1.53Å	1.54Å
C36	H361	sing	1.09Å	1.10Å
C36	H362	sing	1.09Å	1.10Å
C37	C38	sing	1.53Å	1.51Å
C37	H371	sing	1.09Å	1.10Å
C37	H372	sing	1.09Å	1.10Å
C38	C39	sing	1.53Å	1.52Å
C38	H381	sing	1.09Å	1.10Å
C38	H382	sing	1.09Å	1.10Å
C39	C3A	sing	1.53Å	1.54Å
C39	H391	sing	1.09Å	1.10Å
C39	H392	sing	1.09Å	1.10Å
C3A	C3B	sing	1.53Å	1.55Å
C3A	H3A1	sing	1.09Å	1.10Å
C3A	H3A2	sing	1.09Å	1.10Å
C3B	C3C	sing	1.53Å	1.55Å
C3B	H3B1	sing	1.09Å	1.10Å
C3B	H3B2	sing	1.09Å	1.10Å
C3C	C3D	sing	1.53Å	1.55Å
C3C	H3C1	sing	1.09Å	1.10Å
C3C	H3C2	sing	1.09Å	1.10Å
C3D	C3E	sing	1.53Å	55.82Å
C3D	H3D1	sing	1.09Å	1.10Å
C3D	H3D2	sing	1.09Å	1.10Å
C3E	C3F	sing	1.53Å	0.00Å
C3E	H3E1	sing	1.09Å	0.00Å
C3E	H3E2	sing	1.09Å	0.00Å
C3F	C3G	sing	1.53Å	0.00Å
C3F	H3F1	sing	1.09Å	0.00Å
C3F	H3F2	sing	1.09Å	0.00Å
C3G	C3H	sing	1.53Å	0.00Å
C3G	H3G1	sing	1.09Å	0.00Å
C3G	H3G2	sing	1.09Å	0.00Å
C3H	C3I	sing	1.53Å	0.00Å
C3H	H3H1	sing	1.09Å	0.00Å
C3H	H3H2	sing	1.09Å	0.00Å
C3I	H3I1	sing	1.09Å	0.00Å
C3I	H3I2	sing	1.09Å	0.00Å
C3I	H3I3	sing	1.09Å	0.00Å
O14	H77	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
P	O13	H13	109.5°	114.0°
O13	P	O14	111.7°	109.5°
O13	P	O12	104.0°	109.5°
O13	P	O11	116.4°	109.5°
O14	P	O12	109.5°	109.5°
O14	P	O11	98.6°	109.5°
P	O14	H77	109.5°	114.0°
O12	P	O11	116.7°	109.5°
P	O11	C1	133.0°	123.0°
O11	C1	C2	115.8°	109.4°
O11	C1	H11	107.4°	109.5°
O11	C1	H12	105.9°	109.4°
C2	C1	H11	107.4°	109.5°
C2	C1	H12	105.9°	109.5°
C1	C2	O21	113.6°	109.5°
C1	C2	C3	103.9°	109.5°
C1	C2	H2	108.8°	109.4°
H11	C1	H12	114.6°	109.5°
O21	C2	C3	103.8°	109.5°
O21	C2	H2	108.9°	109.5°
C2	O21	C21	121.8°	117.0°
C3	C2	H2	117.9°	109.5°
C2	C3	O31	107.6°	109.4°
C2	C3	H31	110.1°	109.5°
C2	C3	H32	110.5°	109.4°
O21	C21	O22	125.8°	120.0°
O21	C21	C22	114.0°	120.0°
O22	C21	C22	120.1°	120.0°
C21	C22	C23	109.5°	109.4°
C21	C22	H221	109.5°	109.5°
C21	C22	H222	109.5°	109.5°
C23	C22	H221	109.5°	109.4°
C23	C22	H222	109.5°	109.5°
C22	C23	C24	113.7°	109.5°
C22	C23	H231	108.1°	109.5°
C22	C23	H232	107.1°	109.5°
H221	C22	H222	109.4°	109.5°
C24	C23	H231	108.1°	109.5°
C24	C23	H232	107.1°	109.5°
C23	C24	C25	109.4°	109.5°
C23	C24	H241	109.5°	109.5°
C23	C24	H242	109.5°	109.5°
H231	C23	H232	112.8°	109.4°
C25	C24	H241	109.5°	109.5°
C25	C24	H242	109.6°	109.4°
C24	C25	C26	107.0°	109.4°
C24	C25	H251	110.3°	109.5°
C24	C25	H252	110.9°	109.4°
H241	C24	H242	109.4°	109.4°
C26	C25	H251	110.3°	109.5°
C26	C25	H252	110.9°	109.5°
C25	C26	C27	111.3°	109.4°
C25	C26	H261	108.9°	109.5°
C25	C26	H262	108.5°	109.5°
H251	C25	H252	107.5°	109.5°
C27	C26	H261	108.9°	109.5°
C27	C26	H262	108.5°	109.5°
C26	C27	C28	111.3°	109.5°
C26	C27	H271	108.9°	109.5°
C26	C27	H272	108.4°	109.5°
H261	C26	H262	110.9°	109.5°
C28	C27	H271	108.9°	109.5°
C28	C27	H272	108.5°	109.5°
C27	C28	C29	114.8°	109.5°
C27	C28	H281	107.8°	109.5°
C27	C28	H282	106.5°	109.5°
H271	C27	H272	110.9°	109.4°
C29	C28	H281	107.7°	109.5°
C29	C28	H282	106.5°	109.5°
C28	C29	C2A	115.7°	109.5°
C28	C29	H291	107.5°	109.5°
C28	C29	H292	106.0°	109.5°
H281	C28	H282	113.7°	109.4°
C2A	C29	H291	107.5°	109.5°
C2A	C29	H292	106.0°	109.4°
C29	C2A	C2B	121.1°	109.5°
C29	C2A	H2A1	105.8°	109.4°
C29	C2A	H2A2	103.0°	109.5°
H291	C29	H292	114.5°	109.5°
C2B	C2A	H2A1	105.8°	109.5°
C2B	C2A	H2A2	103.1°	109.5°
C2A	C2B	C2C	117.1°	109.5°
C2A	C2B	H2B1	107.0°	109.5°
C2A	C2B	H2B2	105.3°	109.5°
H2A1	C2A	H2A2	119.1°	109.5°
C2C	C2B	H2B1	107.0°	109.5°
C2C	C2B	H2B2	105.3°	109.5°
C2B	C2C	C2D	123.7°	109.5°
C2B	C2C	H2C1	105.0°	109.5°
C2B	C2C	H2C2	101.6°	109.5°
H2B1	C2B	H2B2	115.6°	109.4°
C2D	C2C	H2C1	105.0°	109.5°
C2D	C2C	H2C2	101.7°	109.5°
C2C	C2D	C2E	117.1°	109.5°
C2C	C2D	H2D1	107.0°	109.5°
C2C	C2D	H2D2	105.2°	109.5°
H2C1	C2C	H2C2	121.4°	109.4°
C2E	C2D	H2D1	107.0°	109.5°
C2E	C2D	H2D2	105.2°	109.4°
C2D	C2E	C2F	120.2°	109.5°
C2D	C2E	H2E1	106.0°	109.4°
C2D	C2E	H2E2	103.5°	109.5°
H2D1	C2D	H2D2	115.7°	109.5°
C2F	C2E	H2E1	106.1°	109.5°
C2F	C2E	H2E2	103.6°	109.5°
C2E	C2F	C2G	135.7°	109.4°
C2E	C2F	H2F1	101.5°	109.4°
C2E	C2F	H2F2	95.6°	109.5°
H2E1	C2E	H2E2	118.3°	109.5°
C2G	C2F	H2F1	101.5°	109.5°
C2G	C2F	H2F2	95.6°	109.5°
C2F	C2G	C2H	90.0°	109.4°
C2F	C2G	H2G1	90.0°	109.5°
C2F	C2G	H2G2	90.0°	109.5°
H2F1	C2F	H2F2	133.2°	109.5°
C2H	C2G	H2G1	90.0°	109.5°
C2H	C2G	H2G2	90.0°	109.4°
C2G	C2H	C2I	90.0°	109.4°
C2G	C2H	H2H1	90.0°	109.5°
C2G	C2H	H2H2	90.0°	109.5°
H2G1	C2G	H2G2	90.0°	109.5°
C2I	C2H	H2H1	90.0°	109.5°
C2I	C2H	H2H2	90.0°	109.4°
C2H	C2I	H2I1	90.0°	109.5°
C2H	C2I	H2I2	90.0°	109.5°
C2H	C2I	H2I3	90.0°	109.5°
H2H1	C2H	H2H2	90.0°	109.5°
H2I1	C2I	H2I2	90.0°	109.5°
H2I1	C2I	H2I3	90.0°	109.5°
H2I2	C2I	H2I3	90.0°	109.5°
O31	C3	H31	110.1°	109.5°
O31	C3	H32	110.5°	109.5°
C3	O31	C31	116.0°	117.0°
H31	C3	H32	108.0°	109.5°
O31	C31	O32	125.3°	120.0°
O31	C31	C32	113.7°	120.0°
O32	C31	C32	121.1°	120.0°
C31	C32	C33	117.1°	109.5°
C31	C32	H321	107.0°	109.5°
C31	C32	H322	105.3°	109.5°
C33	C32	H321	107.0°	109.5°
C33	C32	H322	105.2°	109.5°
C32	C33	C34	111.6°	109.5°
C32	C33	H331	108.8°	109.4°
C32	C33	H332	108.2°	109.4°
H321	C32	H322	115.6°	109.4°
C34	C33	H331	108.7°	109.5°
C34	C33	H332	108.3°	109.5°
C33	C34	C35	113.3°	109.5°
C33	C34	H341	108.2°	109.5°
C33	C34	H342	107.3°	109.5°
H331	C33	H332	111.2°	109.5°
C35	C34	H341	108.2°	109.5°
C35	C34	H342	107.3°	109.4°
C34	C35	C36	110.1°	109.5°
C34	C35	H351	109.3°	109.5°
C34	C35	H352	109.1°	109.5°
H341	C34	H342	112.6°	109.5°
C36	C35	H351	109.3°	109.5°
C36	C35	H352	109.1°	109.4°
C35	C36	C37	112.2°	109.5°
C35	C36	H361	108.6°	109.4°
C35	C36	H362	107.9°	109.4°
H351	C35	H352	110.0°	109.5°
C37	C36	H361	108.5°	109.5°
C37	C36	H362	107.9°	109.5°
C36	C37	C38	105.1°	109.5°
C36	C37	H371	110.9°	109.5°
C36	C37	H372	111.9°	109.4°
H361	C36	H362	111.7°	109.5°
C38	C37	H371	111.0°	109.5°
C38	C37	H372	111.9°	109.4°
C37	C38	C39	114.6°	109.5°
C37	C38	H381	107.8°	109.4°
C37	C38	H382	106.6°	109.4°
H371	C37	H372	106.2°	109.4°
C39	C38	H381	107.8°	109.5°
C39	C38	H382	106.6°	109.5°
C38	C39	C3A	105.8°	109.4°
C38	C39	H391	110.7°	109.4°
C38	C39	H392	111.5°	109.5°
H381	C38	H382	113.5°	109.5°
C3A	C39	H391	110.7°	109.5°
C3A	C39	H392	111.5°	109.5°
C39	C3A	C3B	114.6°	109.4°
C39	C3A	H3A1	107.8°	109.5°
C39	C3A	H3A2	106.6°	109.5°
H391	C39	H392	106.6°	109.5°
C3B	C3A	H3A1	107.8°	109.4°
C3B	C3A	H3A2	106.6°	109.5°
C3A	C3B	C3C	110.8°	109.4°
C3A	C3B	H3B1	109.0°	109.4°
C3A	C3B	H3B2	108.7°	109.5°
H3A1	C3A	H3A2	113.6°	109.5°
C3C	C3B	H3B1	109.1°	109.5°
C3C	C3B	H3B2	108.8°	109.5°
C3B	C3C	C3D	111.1°	109.5°
C3B	C3C	H3C1	108.9°	109.5°
C3B	C3C	H3C2	108.6°	109.5°
H3B1	C3B	H3B2	110.5°	109.5°
C3D	C3C	H3C1	108.9°	109.5°
C3D	C3C	H3C2	108.5°	109.5°
C3C	C3D	C3E	134.2°	109.5°
C3C	C3D	H3D1	101.9°	109.4°
C3C	C3D	H3D2	96.3°	109.5°
H3C1	C3C	H3C2	110.8°	109.4°
C3E	C3D	H3D1	101.9°	109.5°
C3E	C3D	H3D2	96.3°	109.5°
C3D	C3E	C3F	90.0°	109.5°
C3D	C3E	H3E1	90.0°	109.5°
C3D	C3E	H3E2	90.0°	109.5°
H3D1	C3D	H3D2	131.7°	109.5°
C3F	C3E	H3E1	90.0°	109.5°
C3F	C3E	H3E2	90.0°	109.4°
C3E	C3F	C3G	90.0°	109.5°
C3E	C3F	H3F1	90.0°	109.5°
C3E	C3F	H3F2	90.0°	109.5°
H3E1	C3E	H3E2	90.0°	109.4°
C3G	C3F	H3F1	90.0°	109.4°
C3G	C3F	H3F2	90.0°	109.4°
C3F	C3G	C3H	90.0°	109.5°
C3F	C3G	H3G1	90.0°	109.4°
C3F	C3G	H3G2	90.0°	109.4°
H3F1	C3F	H3F2	90.0°	109.5°
C3H	C3G	H3G1	90.0°	109.5°
C3H	C3G	H3G2	90.0°	109.5°
C3G	C3H	C3I	90.0°	109.5°
C3G	C3H	H3H1	90.0°	109.5°
C3G	C3H	H3H2	90.0°	109.5°
H3G1	C3G	H3G2	90.0°	109.5°
C3I	C3H	H3H1	90.0°	109.5°
C3I	C3H	H3H2	90.0°	109.5°
C3H	C3I	H3I1	90.0°	109.5°
C3H	C3I	H3I2	90.0°	109.4°
C3H	C3I	H3I3	90.0°	109.5°
H3H1	C3H	H3H2	90.0°	109.4°
H3I1	C3I	H3I2	90.0°	109.5°
H3I1	C3I	H3I3	90.0°	109.4°
H3I2	C3I	H3I3	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O13	P	O14	O12	114.6°	120.0°
O13	P	O14	O11	123.0°	120.0°
O13	P	O12	O11	129.7°	120.0°
O13	P	O11	C1	50.8°	175.0°
O13	P	O14	H77	38.6°	60.0°
H13	O13	P	O14	48.1°	60.0°
H13	O13	P	O12	166.0°	60.0°
H13	O13	P	O11	64.1°	180.0°
O14	P	O12	O11	110.9°	120.0°
O14	P	O11	C1	68.7°	65.0°
O12	P	O11	C1	174.3°	55.0°
O12	P	O14	H77	75.9°	180.0°
P	O11	C1	C2	176.7°	180.0°
P	O11	C1	H11	56.7°	60.0°
P	O11	C1	H12	66.2°	60.0°
O11	P	O14	H77	161.6°	60.0°
O11	C1	C2	H11	120.0°	120.0°
O11	C1	C2	H12	117.1°	119.9°
O11	C1	H11	H12	117.4°	120.0°
O11	C1	C2	O21	83.4°	65.0°
O11	C1	C2	C3	28.7°	55.0°
O11	C1	C2	H2	155.1°	175.0°
C2	C1	H11	H12	117.4°	120.0°
C1	C2	O21	C3	112.2°	120.0°
C1	C2	O21	H2	121.4°	120.0°
C1	C2	C3	H2	120.4°	120.0°
C1	C2	O21	C21	132.7°	90.0°
C1	C2	C3	O31	179.7°	55.0°
C1	C2	C3	H31	60.3°	175.0°
C1	C2	C3	H32	59.0°	65.0°
H11	C1	C2	O21	36.6°	55.0°
H11	C1	C2	C3	148.7°	175.0°
H11	C1	C2	H2	84.9°	65.0°
H12	C1	C2	O21	159.5°	175.0°
H12	C1	C2	C3	88.4°	64.9°
H12	C1	C2	H2	38.0°	55.0°
O21	C2	C3	H2	120.5°	120.0°
C2	O21	C21	O22	51.0°	0.0°
C2	O21	C21	C22	129.6°	180.0°
O21	C2	C3	O31	60.7°	65.0°
O21	C2	C3	H31	179.3°	55.0°
O21	C2	C3	H32	60.1°	175.0°
C3	C2	O21	C21	115.1°	150.0°
C2	C3	O31	H31	120.0°	120.0°
C2	C3	O31	H32	120.7°	119.9°
C2	C3	H31	H32	120.8°	120.0°
C2	C3	O31	C31	179.8°	180.0°
H2	C2	O21	C21	11.3°	30.0°
H2	C2	C3	O31	59.8°	175.0°
H2	C2	C3	H31	60.1°	65.0°
H2	C2	C3	H32	179.4°	55.0°
O21	C21	O22	C22	179.3°	180.0°
O21	C21	C22	C23	179.3°	180.0°
O21	C21	C22	H221	60.7°	60.0°
O21	C21	C22	H222	59.3°	60.1°
O22	C21	C22	C23	0.1°	0.0°
O22	C21	C22	H221	119.9°	119.9°
O22	C21	C22	H222	120.1°	120.0°
C21	C22	C23	H221	120.0°	120.0°
C21	C22	C23	H222	120.0°	120.0°
C21	C22	H221	H222	120.0°	120.1°
C21	C22	C23	C24	171.4°	180.0°
C21	C22	C23	H231	68.6°	60.0°
C21	C22	C23	H232	53.2°	60.0°
C23	C22	H221	H222	120.0°	120.0°
C22	C23	C24	H231	120.0°	120.0°
C22	C23	C24	H232	118.2°	120.0°
C22	C23	H231	H232	118.3°	120.0°
C22	C23	C24	C25	178.3°	180.0°
C22	C23	C24	H241	61.7°	60.0°
C22	C23	C24	H242	58.2°	60.0°
H221	C22	C23	C24	51.4°	60.0°
H221	C22	C23	H231	171.4°	180.0°
H221	C22	C23	H232	66.8°	60.0°
H222	C22	C23	C24	68.6°	60.0°
H222	C22	C23	H231	51.4°	60.0°
H222	C22	C23	H232	173.2°	179.9°
C24	C23	H231	H232	118.3°	120.0°
C23	C24	C25	H241	120.0°	120.1°
C23	C24	C25	H242	120.0°	120.0°
C23	C24	H241	H242	120.0°	120.0°
C23	C24	C25	C26	175.3°	180.0°
C23	C24	C25	H251	55.3°	60.0°
C23	C24	C25	H252	63.7°	60.0°
H231	C23	C24	C25	58.3°	60.0°
H231	C23	C24	H241	178.3°	180.0°
H231	C23	C24	H242	61.8°	60.0°
H232	C23	C24	C25	63.5°	60.0°
H232	C23	C24	H241	56.5°	60.1°
H232	C23	C24	H242	176.4°	180.0°
C25	C24	H241	H242	120.1°	120.0°
C24	C25	C26	H251	120.0°	120.0°
C24	C25	C26	H252	121.0°	119.9°
C24	C25	H251	H252	121.0°	120.0°
C24	C25	C26	C27	143.5°	180.0°
C24	C25	C26	H261	96.5°	60.0°
C24	C25	C26	H262	24.3°	60.1°
H241	C24	C25	C26	64.7°	59.9°
H241	C24	C25	H251	175.3°	180.0°
H241	C24	C25	H252	56.3°	60.0°
H242	C24	C25	C26	55.3°	60.0°
H242	C24	C25	H251	64.8°	60.0°
H242	C24	C25	H252	176.3°	180.0°
C26	C25	H251	H252	121.0°	120.0°
C25	C26	C27	H261	120.0°	120.0°
C25	C26	C27	H262	119.2°	120.0°
C25	C26	H261	H262	119.3°	120.0°
C25	C26	C27	C28	111.9°	180.0°
C25	C26	C27	H271	8.1°	60.0°
C25	C26	C27	H272	128.9°	60.0°
H251	C25	C26	C27	23.5°	60.0°
H251	C25	C26	H261	143.5°	180.0°
H251	C25	C26	H262	95.7°	59.9°
H252	C25	C26	C27	95.5°	60.0°
H252	C25	C26	H261	24.5°	59.9°
H252	C25	C26	H262	145.3°	180.0°
C27	C26	H261	H262	119.3°	120.0°
C26	C27	C28	H271	120.0°	120.0°
C26	C27	C28	H272	119.2°	120.0°
C26	C27	H271	H272	119.2°	120.0°
C26	C27	C28	C29	175.0°	180.0°
C26	C27	C28	H281	65.0°	60.0°
C26	C27	C28	H282	57.4°	60.0°
H261	C26	C27	C28	128.1°	60.0°
H261	C26	C27	H271	111.9°	180.0°
H261	C26	C27	H272	8.9°	60.0°
H262	C26	C27	C28	7.4°	60.0°
H262	C26	C27	H271	127.4°	60.0°
H262	C26	C27	H272	111.9°	179.9°
C28	C27	H271	H272	119.3°	120.0°
C27	C28	C29	H281	120.0°	120.1°
C27	C28	C29	H282	117.6°	120.0°
C27	C28	H281	H282	117.8°	119.9°
C27	C28	C29	C2A	96.5°	180.0°
C27	C28	C29	H291	143.5°	60.0°
C27	C28	C29	H292	20.7°	60.0°
H271	C27	C28	C29	55.0°	60.0°
H271	C27	C28	H281	175.0°	180.0°
H271	C27	C28	H282	62.7°	60.0°
H272	C27	C28	C29	65.8°	60.0°
H272	C27	C28	H281	54.2°	60.1°
H272	C27	C28	H282	176.6°	180.0°
C29	C28	H281	H282	117.8°	120.0°
C28	C29	C2A	H291	120.0°	120.1°
C28	C29	C2A	H292	117.2°	120.0°
C28	C29	H291	H292	117.4°	120.0°
C28	C29	C2A	C2B	153.2°	180.0°
C28	C29	C2A	H2A1	33.3°	60.0°
C28	C29	C2A	H2A2	92.5°	60.1°
H281	C28	C29	C2A	23.5°	59.9°
H281	C28	C29	H291	96.5°	180.0°
H281	C28	C29	H292	140.7°	60.0°
H282	C28	C29	C2A	145.9°	60.0°
H282	C28	C29	H291	25.8°	60.0°
H282	C28	C29	H292	97.0°	180.0°
C2A	C29	H291	H292	117.4°	119.9°
C29	C2A	C2B	H2A1	120.0°	120.0°
C29	C2A	C2B	H2A2	114.2°	120.0°
C29	C2A	H2A1	H2A2	115.2°	120.0°
C29	C2A	C2B	C2C	99.3°	180.0°
C29	C2A	C2B	H2B1	140.7°	60.0°
C29	C2A	C2B	H2B2	17.1°	60.0°
H291	C29	C2A	C2B	86.7°	60.0°
H291	C29	C2A	H2A1	153.3°	180.0°
H291	C29	C2A	H2A2	27.5°	60.0°
H292	C29	C2A	C2B	36.1°	60.0°
H292	C29	C2A	H2A1	83.9°	60.0°
H292	C29	C2A	H2A2	150.3°	180.0°
C2B	C2A	H2A1	H2A2	115.2°	120.0°
C2A	C2B	C2C	H2B1	120.0°	120.0°
C2A	C2B	C2C	H2B2	116.5°	120.0°
C2A	C2B	H2B1	H2B2	116.9°	120.0°
C2A	C2B	C2C	C2D	161.2°	180.0°
C2A	C2B	C2C	H2C1	78.8°	60.0°
C2A	C2B	C2C	H2C2	48.6°	59.9°
H2A1	C2A	C2B	C2C	20.7°	60.0°
H2A1	C2A	C2B	H2B1	99.3°	180.0°
H2A1	C2A	C2B	H2B2	137.1°	60.0°
H2A2	C2A	C2B	C2C	146.5°	60.0°
H2A2	C2A	C2B	H2B1	26.5°	60.0°
H2A2	C2A	C2B	H2B2	97.1°	179.9°
C2C	C2B	H2B1	H2B2	116.9°	120.0°
C2B	C2C	C2D	H2C1	120.0°	120.1°
C2B	C2C	C2D	H2C2	112.6°	120.0°
C2B	C2C	H2C1	H2C2	114.1°	119.9°
C2B	C2C	C2D	C2E	82.1°	180.0°
C2B	C2C	C2D	H2D1	158.0°	60.0°
C2B	C2C	C2D	H2D2	34.4°	60.0°
H2B1	C2B	C2C	C2D	41.2°	60.0°
H2B1	C2B	C2C	H2C1	161.2°	180.0°
H2B1	C2B	C2C	H2C2	71.4°	60.1°
H2B2	C2B	C2C	C2D	82.3°	60.0°
H2B2	C2B	C2C	H2C1	37.7°	60.1°
H2B2	C2B	C2C	H2C2	165.0°	180.0°
C2D	C2C	H2C1	H2C2	114.1°	120.0°
C2C	C2D	C2E	H2D1	120.0°	120.1°
C2C	C2D	C2E	H2D2	116.5°	120.0°
C2C	C2D	H2D1	H2D2	116.8°	120.0°
C2C	C2D	C2E	C2F	126.4°	180.0°
C2C	C2D	C2E	H2E1	113.5°	60.0°
C2C	C2D	C2E	H2E2	11.7°	60.1°
H2C1	C2C	C2D	C2E	38.0°	59.9°
H2C1	C2C	C2D	H2D1	82.0°	180.0°
H2C1	C2C	C2D	H2D2	154.4°	60.0°
H2C2	C2C	C2D	C2E	165.3°	60.0°
H2C2	C2C	C2D	H2D1	45.3°	60.0°
H2C2	C2C	C2D	H2D2	78.2°	179.9°
C2E	C2D	H2D1	H2D2	116.9°	119.9°
C2D	C2E	C2F	H2E1	120.0°	120.0°
C2D	C2E	C2F	H2E2	114.8°	120.0°
C2D	C2E	H2E1	H2E2	115.5°	120.0°
C2D	C2E	C2F	C2G	38.2°	180.0°
C2D	C2E	C2F	H2F1	158.2°	60.0°
C2D	C2E	C2F	H2F2	65.6°	60.0°
H2D1	C2D	C2E	C2F	6.5°	60.0°
H2D1	C2D	C2E	H2E1	126.5°	180.0°
H2D1	C2D	C2E	H2E2	108.3°	60.0°
H2D2	C2D	C2E	C2F	117.1°	60.0°
H2D2	C2D	C2E	H2E1	2.9°	60.0°
H2D2	C2D	C2E	H2E2	128.1°	180.0°
C2F	C2E	H2E1	H2E2	115.6°	120.0°
C2E	C2F	C2G	H2F1	120.0°	119.9°
C2E	C2F	C2G	H2F2	103.8°	120.0°
C2E	C2F	H2F1	H2F2	109.1°	120.0°
C2E	C2F	C2G	C2H	90.0°	180.0°
C2E	C2F	C2G	H2G1	90.0°	60.0°
C2E	C2F	C2G	H2G2	90.0°	60.0°
H2E1	C2E	C2F	C2G	81.8°	60.0°
H2E1	C2E	C2F	H2F1	38.2°	179.9°
H2E1	C2E	C2F	H2F2	174.3°	59.9°
H2E2	C2E	C2F	C2G	152.9°	60.0°
H2E2	C2E	C2F	H2F1	87.1°	60.0°
H2E2	C2E	C2F	H2F2	49.1°	180.0°
C2G	C2F	H2F1	H2F2	109.1°	120.1°
C2F	C2G	C2H	H2G1	90.0°	120.0°
C2F	C2G	C2H	H2G2	90.0°	119.9°
C2F	C2G	H2G1	H2G2	90.0°	120.1°
C2F	C2G	C2H	C2I	90.0°	180.0°
C2F	C2G	C2H	H2H1	90.0°	60.0°
C2F	C2G	C2H	H2H2	90.0°	60.1°
H2F1	C2F	C2G	C2H	90.0°	60.0°
H2F1	C2F	C2G	H2G1	90.0°	180.0°
H2F1	C2F	C2G	H2G2	90.0°	59.9°
H2F2	C2F	C2G	C2H	90.0°	60.1°
H2F2	C2F	C2G	H2G1	90.0°	59.9°
H2F2	C2F	C2G	H2G2	90.0°	180.0°
C2H	C2G	H2G1	H2G2	90.0°	120.0°
C2G	C2H	C2I	H2H1	90.0°	120.1°
C2G	C2H	C2I	H2H2	90.0°	120.0°
C2G	C2H	H2H1	H2H2	90.0°	120.1°
C2G	C2H	C2I	H2I1	90.0°	60.0°
C2G	C2H	C2I	H2I2	90.0°	60.1°
C2G	C2H	C2I	H2I3	90.0°	180.0°
H2G1	C2G	C2H	C2I	90.0°	60.0°
H2G1	C2G	C2H	H2H1	90.0°	180.0°
H2G1	C2G	C2H	H2H2	90.0°	60.0°
H2G2	C2G	C2H	C2I	90.0°	60.1°
H2G2	C2G	C2H	H2H1	90.0°	59.9°
H2G2	C2G	C2H	H2H2	90.0°	180.0°
C2I	C2H	H2H1	H2H2	90.0°	119.9°
C2H	C2I	H2I1	H2I2	90.0°	120.0°
C2H	C2I	H2I1	H2I3	90.0°	120.0°
C2H	C2I	H2I2	H2I3	90.0°	120.0°
H2H1	C2H	C2I	H2I1	90.0°	180.0°
H2H1	C2H	C2I	H2I2	90.0°	60.0°
H2H1	C2H	C2I	H2I3	90.0°	60.0°
H2H2	C2H	C2I	H2I1	90.0°	60.0°
H2H2	C2H	C2I	H2I2	90.0°	180.0°
H2H2	C2H	C2I	H2I3	90.0°	60.0°
H2I1	C2I	H2I2	H2I3	90.0°	120.0°
O31	C3	H31	H32	120.8°	120.1°
C3	O31	C31	O32	0.3°	0.0°
C3	O31	C31	C32	179.1°	180.0°
H31	C3	O31	C31	60.2°	60.0°
H32	C3	O31	C31	59.1°	60.1°
O31	C31	O32	C32	179.4°	179.9°
O31	C31	C32	C33	91.2°	180.0°
O31	C31	C32	H321	28.8°	60.0°
O31	C31	C32	H322	152.3°	59.9°
O32	C31	C32	C33	89.3°	0.0°
O32	C31	C32	H321	150.7°	120.0°
O32	C31	C32	H322	27.2°	120.0°
C31	C32	C33	H321	120.0°	120.0°
C31	C32	C33	H322	116.5°	120.1°
C31	C32	H321	H322	116.9°	120.0°
C31	C32	C33	C34	179.9°	180.0°
C31	C32	C33	H331	59.9°	60.0°
C31	C32	C33	H332	61.0°	60.0°
C33	C32	H321	H322	116.8°	120.0°
C32	C33	C34	H331	120.0°	120.0°
C32	C33	C34	H332	119.1°	120.0°
C32	C33	H331	H332	119.1°	119.9°
C32	C33	C34	C35	131.8°	180.0°
C32	C33	C34	H341	11.8°	60.0°
C32	C33	C34	H342	109.9°	60.0°
H321	C32	C33	C34	60.0°	60.0°
H321	C32	C33	H331	180.0°	180.0°
H321	C32	C33	H332	59.1°	60.0°
H322	C32	C33	C34	63.4°	60.0°
H322	C32	C33	H331	56.5°	60.1°
H322	C32	C33	H332	177.5°	180.0°
C34	C33	H331	H332	119.1°	120.0°
C33	C34	C35	H341	120.0°	120.0°
C33	C34	C35	H342	118.3°	120.0°
C33	C34	H341	H342	118.4°	120.0°
C33	C34	C35	C36	177.6°	180.0°
C33	C34	C35	H351	57.5°	60.0°
C33	C34	C35	H352	62.7°	60.0°
H331	C33	C34	C35	108.2°	60.0°
H331	C33	C34	H341	131.8°	180.0°
H331	C33	C34	H342	10.1°	60.0°
H332	C33	C34	C35	12.7°	60.0°
H332	C33	C34	H341	107.3°	60.0°
H332	C33	C34	H342	131.0°	180.0°
C35	C34	H341	H342	118.4°	119.9°
C34	C35	C36	H351	120.0°	120.1°
C34	C35	C36	H352	119.7°	120.0°
C34	C35	H351	H352	119.7°	120.0°
C34	C35	C36	C37	125.8°	180.0°
C34	C35	C36	H361	5.8°	60.0°
C34	C35	C36	H362	115.4°	60.0°
H341	C34	C35	C36	62.4°	60.0°
H341	C34	C35	H351	177.5°	180.0°
H341	C34	C35	H352	57.2°	60.0°
H342	C34	C35	C36	59.2°	60.0°
H342	C34	C35	H351	60.8°	60.0°
H342	C34	C35	H352	178.9°	180.0°
C36	C35	H351	H352	119.7°	120.0°
C35	C36	C37	H361	120.0°	120.0°
C35	C36	C37	H362	118.8°	120.0°
C35	C36	H361	H362	118.9°	119.9°
C35	C36	C37	C38	117.7°	180.0°
C35	C36	C37	H371	2.3°	59.9°
C35	C36	C37	H372	120.6°	60.0°
H351	C35	C36	C37	114.2°	59.9°
H351	C35	C36	H361	125.8°	180.0°
H351	C35	C36	H362	4.6°	60.1°
H352	C35	C36	C37	6.1°	60.0°
H352	C35	C36	H361	113.9°	60.0°
H352	C35	C36	H362	124.9°	180.0°
C37	C36	H361	H362	118.9°	120.0°
C36	C37	C38	H371	120.0°	120.1°
C36	C37	C38	H372	121.7°	120.0°
C36	C37	H371	H372	121.8°	120.0°
C36	C37	C38	C39	139.1°	180.0°
C36	C37	C38	H381	19.1°	60.0°
C36	C37	C38	H382	103.1°	60.0°
H361	C36	C37	C38	122.3°	60.0°
H361	C36	C37	H371	117.7°	179.9°
H361	C36	C37	H372	0.6°	60.0°
H362	C36	C37	C38	1.1°	60.0°
H362	C36	C37	H371	121.1°	60.0°
H362	C36	C37	H372	120.6°	180.0°
C38	C37	H371	H372	121.8°	119.9°
C37	C38	C39	H381	120.0°	120.0°
C37	C38	C39	H382	117.7°	120.0°
C37	C38	H381	H382	117.9°	119.9°
C37	C38	C39	C3A	124.8°	180.0°
C37	C38	C39	H391	4.8°	60.0°
C37	C38	C39	H392	113.8°	60.0°
H371	C37	C38	C39	100.9°	59.9°
H371	C37	C38	H381	139.1°	180.0°
H371	C37	C38	H382	16.8°	60.1°
H372	C37	C38	C39	17.5°	60.0°
H372	C37	C38	H381	102.6°	60.0°
H372	C37	C38	H382	135.2°	180.0°
C39	C38	H381	H382	117.9°	120.1°
C38	C39	C3A	H391	120.0°	119.9°
C38	C39	C3A	H392	121.4°	120.0°
C38	C39	H391	H392	121.5°	120.0°
C38	C39	C3A	C3B	142.0°	180.0°
C38	C39	C3A	H3A1	22.0°	60.1°
C38	C39	C3A	H3A2	100.3°	60.0°
H381	C38	C39	C3A	115.1°	60.1°
H381	C38	C39	H391	124.8°	180.0°
H381	C38	C39	H392	6.3°	60.0°
H382	C38	C39	C3A	7.1°	60.0°
H382	C38	C39	H391	112.9°	59.9°
H382	C38	C39	H392	128.5°	180.0°
C3A	C39	H391	H392	121.5°	120.1°
C39	C3A	C3B	H3A1	120.0°	119.9°
C39	C3A	C3B	H3A2	117.7°	120.0°
C39	C3A	H3A1	H3A2	117.9°	120.0°
C39	C3A	C3B	C3C	178.2°	180.0°
C39	C3A	C3B	H3B1	58.2°	60.1°
C39	C3A	C3B	H3B2	62.3°	60.0°
H391	C39	C3A	C3B	98.0°	60.1°
H391	C39	C3A	H3A1	142.0°	180.0°
H391	C39	C3A	H3A2	19.7°	60.0°
H392	C39	C3A	C3B	20.6°	60.0°
H392	C39	C3A	H3A1	99.5°	59.9°
H392	C39	C3A	H3A2	138.3°	180.0°
C3B	C3A	H3A1	H3A2	117.9°	120.1°
C3A	C3B	C3C	H3B1	120.0°	119.9°
C3A	C3B	C3C	H3B2	119.4°	120.0°
C3A	C3B	H3B1	H3B2	119.4°	120.0°
C3A	C3B	C3C	C3D	106.5°	180.0°
C3A	C3B	C3C	H3C1	133.5°	60.0°
C3A	C3B	C3C	H3C2	12.8°	60.0°
H3A1	C3A	C3B	C3C	61.8°	60.0°
H3A1	C3A	C3B	H3B1	178.2°	180.0°
H3A1	C3A	C3B	H3B2	57.6°	60.0°
H3A2	C3A	C3B	C3C	60.5°	60.0°
H3A2	C3A	C3B	H3B1	59.5°	59.9°
H3A2	C3A	C3B	H3B2	180.0°	180.0°
C3C	C3B	H3B1	H3B2	119.5°	120.0°
C3B	C3C	C3D	H3C1	120.0°	120.1°
C3B	C3C	C3D	H3C2	119.3°	120.1°
C3B	C3C	H3C1	H3C2	119.3°	120.0°
C3B	C3C	C3D	C3E	78.1°	180.0°
C3B	C3C	C3D	H3D1	161.9°	60.0°
C3B	C3C	C3D	H3D2	26.9°	60.0°
H3B1	C3B	C3C	C3D	13.5°	60.0°
H3B1	C3B	C3C	H3C1	106.4°	180.0°
H3B1	C3B	C3C	H3C2	132.8°	60.0°
H3B2	C3B	C3C	C3D	134.1°	60.0°
H3B2	C3B	C3C	H3C1	14.1°	60.0°
H3B2	C3B	C3C	H3C2	106.6°	180.0°
C3D	C3C	H3C1	H3C2	119.3°	119.9°
C3C	C3D	C3E	H3D1	120.0°	120.0°
C3C	C3D	C3E	H3D2	105.0°	120.0°
C3C	C3D	H3D1	H3D2	109.7°	120.0°
C3C	C3D	C3E	C3F	90.0°	NaN°
C3C	C3D	C3E	H3E1	90.0°	60.0°
C3C	C3D	C3E	H3E2	90.0°	60.0°
H3C1	C3C	C3D	C3E	41.9°	59.9°
H3C1	C3C	C3D	H3D1	78.1°	179.9°
H3C1	C3C	C3D	H3D2	146.9°	60.0°
H3C2	C3C	C3D	C3E	162.6°	59.9°
H3C2	C3C	C3D	H3D1	42.6°	60.0°
H3C2	C3C	C3D	H3D2	92.4°	179.9°
C3E	C3D	H3D1	H3D2	109.7°	120.0°
C3D	C3E	C3F	H3E1	90.0°	120.1°
C3D	C3E	C3F	H3E2	90.0°	120.0°
C3D	C3E	H3E1	H3E2	90.0°	120.0°
C3D	C3E	C3F	C3G	90.0°	180.0°
C3D	C3E	C3F	H3F1	90.0°	60.0°
C3D	C3E	C3F	H3F2	90.0°	60.0°
H3D1	C3D	C3E	C3F	90.0°	60.0°
H3D1	C3D	C3E	H3E1	90.0°	180.0°
H3D1	C3D	C3E	H3E2	90.0°	60.0°
H3D2	C3D	C3E	C3F	90.0°	60.0°
H3D2	C3D	C3E	H3E1	90.0°	60.0°
H3D2	C3D	C3E	H3E2	90.0°	180.0°
C3F	C3E	H3E1	H3E2	90.0°	119.9°
C3E	C3F	C3G	H3F1	90.0°	120.1°
C3E	C3F	C3G	H3F2	90.0°	120.0°
C3E	C3F	H3F1	H3F2	90.0°	120.0°
C3E	C3F	C3G	C3H	90.0°	180.0°
C3E	C3F	C3G	H3G1	90.0°	60.0°
C3E	C3F	C3G	H3G2	90.0°	60.0°
H3E1	C3E	C3F	C3G	90.0°	59.9°
H3E1	C3E	C3F	H3F1	90.0°	179.9°
H3E1	C3E	C3F	H3F2	90.0°	60.0°
H3E2	C3E	C3F	C3G	90.0°	60.0°
H3E2	C3E	C3F	H3F1	90.0°	60.0°
H3E2	C3E	C3F	H3F2	90.0°	180.0°
C3G	C3F	H3F1	H3F2	90.0°	119.9°
C3F	C3G	C3H	H3G1	90.0°	120.0°
C3F	C3G	C3H	H3G2	90.0°	120.0°
C3F	C3G	H3G1	H3G2	90.0°	119.9°
C3F	C3G	C3H	C3I	90.0°	180.0°
C3F	C3G	C3H	H3H1	90.0°	59.9°
C3F	C3G	C3H	H3H2	90.0°	60.0°
H3F1	C3F	C3G	C3H	90.0°	59.9°
H3F1	C3F	C3G	H3G1	90.0°	180.0°
H3F1	C3F	C3G	H3G2	90.0°	60.1°
H3F2	C3F	C3G	C3H	90.0°	60.0°
H3F2	C3F	C3G	H3G1	90.0°	60.0°
H3F2	C3F	C3G	H3G2	90.0°	180.0°
C3H	C3G	H3G1	H3G2	90.0°	120.0°
C3G	C3H	C3I	H3H1	90.0°	120.1°
C3G	C3H	C3I	H3H2	90.0°	120.0°
C3G	C3H	H3H1	H3H2	90.0°	120.0°
C3G	C3H	C3I	H3I1	90.0°	60.0°
C3G	C3H	C3I	H3I2	90.0°	60.0°
C3G	C3H	C3I	H3I3	90.0°	180.0°
H3G1	C3G	C3H	C3I	90.0°	60.0°
H3G1	C3G	C3H	H3H1	90.0°	179.9°
H3G1	C3G	C3H	H3H2	90.0°	60.0°
H3G2	C3G	C3H	C3I	90.0°	60.0°
H3G2	C3G	C3H	H3H1	90.0°	60.0°
H3G2	C3G	C3H	H3H2	90.0°	180.0°
C3I	C3H	H3H1	H3H2	90.0°	119.9°
C3H	C3I	H3I1	H3I2	90.0°	120.0°
C3H	C3I	H3I1	H3I3	90.0°	120.0°
C3H	C3I	H3I2	H3I3	90.0°	120.0°
H3H1	C3H	C3I	H3I1	90.0°	179.9°
H3H1	C3H	C3I	H3I2	90.0°	60.1°
H3H1	C3H	C3I	H3I3	90.0°	59.9°
H3H2	C3H	C3I	H3I1	90.0°	60.0°
H3H2	C3H	C3I	H3I2	90.0°	180.0°
H3H2	C3H	C3I	H3I3	90.0°	59.9°
H3I1	C3I	H3I2	H3I3	90.0°	120.0°

Definition date:	2003-07-09
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1P84