8PE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O12	P	doub	1.48Å	1.57Å
O11	P	sing	1.61Å	1.57Å
P	O14	sing	1.61Å	1.56Å
P	O13	sing	1.61Å	1.59Å
C12	N	sing	1.47Å	1.48Å
N	HN	sing	1.01Å	1.00Å
N	HNA	sing	1.01Å	1.00Å
O11	C1	sing	1.43Å	1.37Å
O13	C11	sing	1.43Å	1.42Å
O14	HO14	sing	0.97Å	0.95Å
C12	C11	sing	1.53Å	1.54Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
C2	C1	sing	1.53Å	1.56Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C3	C2	sing	1.53Å	1.56Å
C2	O21	sing	1.45Å	1.44Å
C2	H2	sing	1.09Å	1.10Å
O31	C3	sing	1.45Å	1.45Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C31	O31	sing	1.34Å	1.37Å
O32	C31	doub	1.21Å	1.15Å
C32	C31	sing	1.51Å	1.49Å
C32	C33	sing	1.53Å	1.50Å
C32	H32	sing	1.09Å	1.10Å
C32	H32A	sing	1.09Å	1.10Å
C33	C34	sing	1.53Å	1.51Å
C33	H33	sing	1.09Å	1.10Å
C33	H33A	sing	1.09Å	1.10Å
C35	C34	sing	1.53Å	1.51Å
C34	H34	sing	1.09Å	1.10Å
C34	H34A	sing	1.09Å	1.10Å
C35	C36	sing	1.53Å	1.52Å
C35	H35	sing	1.09Å	1.10Å
C35	H35A	sing	1.09Å	1.10Å
C37	C36	sing	1.53Å	1.52Å
C36	H36	sing	1.09Å	1.10Å
C36	H36A	sing	1.09Å	1.10Å
C38	C37	sing	1.53Å	1.53Å
C37	H37	sing	1.09Å	1.10Å
C37	H37A	sing	1.09Å	1.10Å
C39	C38	sing	1.53Å	1.54Å
C38	H38	sing	1.09Å	1.10Å
C38	H38A	sing	1.09Å	1.10Å
C39	C3A	sing	1.53Å	1.53Å
C39	H39	sing	1.09Å	1.10Å
C39	H39A	sing	1.09Å	1.10Å
C3B	C3A	sing	1.53Å	1.49Å
C3A	H3AA	sing	1.09Å	1.10Å
C3A	H3AB	sing	1.09Å	1.10Å
C3C	C3B	sing	1.53Å	1.49Å
C3B	H3B	sing	1.09Å	1.10Å
C3B	H3BA	sing	1.09Å	1.10Å
C3C	C3D	sing	1.53Å	1.47Å
C3C	H3C	sing	1.09Å	1.10Å
C3C	H3CA	sing	1.09Å	1.10Å
C3E	C3D	sing	1.53Å	1.47Å
C3D	H3D	sing	1.09Å	1.10Å
C3D	H3DA	sing	1.09Å	1.10Å
C3F	C3E	sing	1.53Å	1.49Å
C3E	H3E	sing	1.09Å	1.10Å
C3E	H3EA	sing	1.09Å	1.10Å
C3G	C3F	sing	1.53Å	1.50Å
C3F	H3F	sing	1.09Å	1.10Å
C3F	H3FA	sing	1.09Å	1.10Å
C3G	C3H	sing	1.53Å	1.52Å
C3G	H3G	sing	1.09Å	1.10Å
C3G	H3GA	sing	1.09Å	1.10Å
C3I	C3H	sing	1.53Å	1.53Å
C3H	H3H	sing	1.09Å	1.10Å
C3H	H3HA	sing	1.09Å	1.10Å
C3I	H3I	sing	1.09Å	1.10Å
C3I	H3IA	sing	1.09Å	1.10Å
C3I	H3IB	sing	1.09Å	1.10Å
O21	C21	sing	1.34Å	1.43Å
C21	O22	doub	1.21Å	1.22Å
C21	C22	sing	1.51Å	1.52Å
C23	C22	sing	1.53Å	1.54Å
C22	H22	sing	1.09Å	1.10Å
C22	H22A	sing	1.09Å	1.10Å
C23	C24	sing	1.53Å	1.54Å
C23	H23	sing	1.09Å	1.10Å
C23	H23A	sing	1.09Å	1.10Å
C25	C24	sing	1.53Å	1.55Å
C24	H24	sing	1.09Å	1.10Å
C24	H24A	sing	1.09Å	1.10Å
C25	C26	sing	1.53Å	1.54Å
C25	H25	sing	1.09Å	1.10Å
C25	H25A	sing	1.09Å	1.10Å
C27	C26	sing	1.53Å	1.53Å
C26	H26	sing	1.09Å	1.10Å
C26	H26A	sing	1.09Å	1.10Å
C27	C28	sing	1.53Å	1.54Å
C27	H27	sing	1.09Å	1.10Å
C27	H27A	sing	1.09Å	1.10Å
C29	C28	sing	1.53Å	1.56Å
C28	H28	sing	1.09Å	1.10Å
C28	H28A	sing	1.09Å	1.10Å
C29	C2A	sing	1.53Å	1.54Å
C29	H29	sing	1.09Å	1.10Å
C29	H29A	sing	1.09Å	1.10Å
C2B	C2A	sing	1.53Å	1.54Å
C2A	H2A	sing	1.09Å	1.10Å
C2A	H2AA	sing	1.09Å	1.10Å
C2C	C2B	sing	1.53Å	1.57Å
C2B	H2B	sing	1.09Å	1.10Å
C2B	H2BA	sing	1.09Å	1.10Å
C2C	C2D	sing	1.53Å	1.56Å
C2C	H2C	sing	1.09Å	1.10Å
C2C	H2CA	sing	1.09Å	1.10Å
C2E	C2D	sing	1.53Å	1.55Å
C2D	H2D	sing	1.09Å	1.10Å
C2D	H2DA	sing	1.09Å	1.10Å
C2E	H2E	sing	1.09Å	1.10Å
C2E	H2EA	sing	1.09Å	1.10Å
C2E	H2EB	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O12	P	O11	108.4°	109.5°
O12	P	O14	106.7°	109.5°
O12	P	O13	113.2°	109.5°
O11	P	O14	109.7°	109.5°
O11	P	O13	106.0°	109.5°
P	O11	C1	119.4°	123.0°
O14	P	O13	112.7°	109.5°
P	O14	HO14	109.5°	114.0°
P	O13	C11	115.1°	123.0°
C12	N	HN	109.5°	111.0°
C12	N	HNA	109.5°	111.0°
N	C12	C11	108.5°	109.5°
N	C12	H12	109.8°	109.5°
N	C12	H12A	110.0°	109.5°
HN	N	HNA	109.4°	111.1°
O11	C1	C2	111.0°	109.5°
O11	C1	H1	109.0°	109.5°
O11	C1	H1A	108.6°	109.5°
O13	C11	C12	112.8°	109.4°
O13	C11	H11	108.4°	109.5°
O13	C11	H11A	107.7°	109.5°
C12	C11	H11	108.4°	109.4°
C12	C11	H11A	107.6°	109.4°
C11	C12	H12	109.8°	109.5°
C11	C12	H12A	110.0°	109.4°
H11	C11	H11A	112.0°	109.5°
H12	C12	H12A	108.8°	109.5°
C2	C1	H1	109.0°	109.5°
C2	C1	H1A	108.6°	109.5°
C1	C2	C3	120.0°	109.5°
C1	C2	O21	108.2°	109.5°
C1	C2	H2	102.3°	109.5°
H1	C1	H1A	110.7°	109.4°
C3	C2	O21	107.1°	109.4°
C3	C2	H2	103.4°	109.4°
C2	C3	O31	103.3°	109.5°
C2	C3	H3	111.6°	109.5°
C2	C3	H3A	112.9°	109.5°
O21	C2	H2	116.3°	109.5°
C2	O21	C21	109.3°	117.0°
O31	C3	H3	111.6°	109.5°
O31	C3	H3A	112.9°	109.4°
C3	O31	C31	119.0°	117.0°
H3	C3	H3A	104.8°	109.4°
O31	C31	O32	127.1°	119.9°
O31	C31	C32	114.7°	120.0°
O32	C31	C32	118.3°	120.0°
C31	C32	C33	114.5°	109.5°
C31	C32	H32	107.8°	109.5°
C31	C32	H32A	106.7°	109.4°
C33	C32	H32	107.8°	109.5°
C33	C32	H32A	106.7°	109.5°
C32	C33	C34	109.4°	109.5°
C32	C33	H33	109.5°	109.5°
C32	C33	H33A	109.5°	109.4°
H32	C32	H32A	113.4°	109.4°
C34	C33	H33	109.5°	109.5°
C34	C33	H33A	109.5°	109.5°
C33	C34	C35	111.1°	109.5°
C33	C34	H34	108.9°	109.5°
C33	C34	H34A	108.5°	109.5°
H33	C33	H33A	109.4°	109.5°
C35	C34	H34	108.9°	109.4°
C35	C34	H34A	108.5°	109.5°
C34	C35	C36	110.6°	109.5°
C34	C35	H35	109.1°	109.5°
C34	C35	H35A	108.8°	109.5°
H34	C34	H34A	110.8°	109.5°
C36	C35	H35	109.1°	109.4°
C36	C35	H35A	108.8°	109.5°
C35	C36	C37	108.7°	109.5°
C35	C36	H36	109.7°	109.4°
C35	C36	H36A	109.9°	109.5°
H35	C35	H35A	110.4°	109.5°
C37	C36	H36	109.7°	109.5°
C37	C36	H36A	109.9°	109.5°
C36	C37	C38	111.7°	109.5°
C36	C37	H37	108.7°	109.5°
C36	C37	H37A	108.2°	109.5°
H36	C36	H36A	108.9°	109.5°
C38	C37	H37	108.7°	109.4°
C38	C37	H37A	108.2°	109.5°
C37	C38	C39	113.0°	109.5°
C37	C38	H38	108.3°	109.4°
C37	C38	H38A	107.5°	109.4°
H37	C37	H37A	111.2°	109.5°
C39	C38	H38	108.3°	109.5°
C39	C38	H38A	107.5°	109.5°
C38	C39	C3A	111.5°	109.5°
C38	C39	H39	108.8°	109.5°
C38	C39	H39A	108.4°	109.5°
H38	C38	H38A	112.3°	109.5°
C3A	C39	H39	108.8°	109.5°
C3A	C39	H39A	108.4°	109.5°
C39	C3A	C3B	110.8°	109.4°
C39	C3A	H3AA	109.0°	109.5°
C39	C3A	H3AB	108.7°	109.5°
H39	C39	H39A	111.0°	109.4°
C3B	C3A	H3AA	109.0°	109.5°
C3B	C3A	H3AB	108.7°	109.4°
C3A	C3B	C3C	109.4°	109.5°
C3A	C3B	H3B	109.5°	109.5°
C3A	C3B	H3BA	109.5°	109.5°
H3AA	C3A	H3AB	110.5°	109.5°
C3C	C3B	H3B	109.5°	109.5°
C3C	C3B	H3BA	109.5°	109.4°
C3B	C3C	C3D	108.3°	109.5°
C3B	C3C	H3C	109.9°	109.5°
C3B	C3C	H3CA	110.1°	109.5°
H3B	C3B	H3BA	109.4°	109.5°
C3D	C3C	H3C	109.8°	109.5°
C3D	C3C	H3CA	110.1°	109.5°
C3C	C3D	C3E	104.7°	109.5°
C3C	C3D	H3D	111.1°	109.5°
C3C	C3D	H3DA	112.1°	109.5°
H3C	C3C	H3CA	108.6°	109.5°
C3E	C3D	H3D	111.1°	109.4°
C3E	C3D	H3DA	112.1°	109.5°
C3D	C3E	C3F	110.3°	109.5°
C3D	C3E	H3E	109.2°	109.4°
C3D	C3E	H3EA	109.0°	109.5°
H3D	C3D	H3DA	105.9°	109.5°
C3F	C3E	H3E	109.2°	109.5°
C3F	C3E	H3EA	109.0°	109.5°
C3E	C3F	C3G	109.1°	109.5°
C3E	C3F	H3F	109.6°	109.4°
C3E	C3F	H3FA	109.7°	109.5°
H3E	C3E	H3EA	110.1°	109.4°
C3G	C3F	H3F	109.6°	109.5°
C3G	C3F	H3FA	109.6°	109.5°
C3F	C3G	C3H	109.7°	109.5°
C3F	C3G	H3G	109.4°	109.4°
C3F	C3G	H3GA	109.3°	109.5°
H3F	C3F	H3FA	109.2°	109.5°
C3H	C3G	H3G	109.4°	109.5°
C3H	C3G	H3GA	109.3°	109.5°
C3G	C3H	C3I	108.0°	109.5°
C3G	C3H	H3H	110.0°	109.5°
C3G	C3H	H3HA	110.3°	109.5°
H3G	C3G	H3GA	109.7°	109.5°
C3I	C3H	H3H	110.0°	109.5°
C3I	C3H	H3HA	110.3°	109.4°
C3H	C3I	H3I	109.5°	109.5°
C3H	C3I	H3IA	109.5°	109.5°
C3H	C3I	H3IB	109.4°	109.5°
H3H	C3H	H3HA	108.3°	109.4°
H3I	C3I	H3IA	109.5°	109.5°
H3I	C3I	H3IB	109.5°	109.5°
H3IA	C3I	H3IB	109.5°	109.5°
O21	C21	O22	127.5°	119.9°
O21	C21	C22	113.4°	120.0°
O22	C21	C22	119.1°	120.0°
C21	C22	C23	111.5°	109.5°
C21	C22	H22	108.8°	109.5°
C21	C22	H22A	108.3°	109.5°
C23	C22	H22	108.8°	109.4°
C23	C22	H22A	108.3°	109.5°
C22	C23	C24	111.8°	109.4°
C22	C23	H23	108.7°	109.4°
C22	C23	H23A	108.2°	109.5°
H22	C22	H22A	111.1°	109.5°
C24	C23	H23	108.7°	109.5°
C24	C23	H23A	108.2°	109.5°
C23	C24	C25	108.6°	109.4°
C23	C24	H24	109.8°	109.5°
C23	C24	H24A	109.9°	109.5°
H23	C23	H23A	111.3°	109.5°
C25	C24	H24	109.8°	109.4°
C25	C24	H24A	110.0°	109.5°
C24	C25	C26	114.1°	109.5°
C24	C25	H25	108.0°	109.5°
C24	C25	H25A	106.9°	109.5°
H24	C24	H24A	108.8°	109.5°
C26	C25	H25	108.0°	109.5°
C26	C25	H25A	106.9°	109.5°
C25	C26	C27	105.8°	109.5°
C25	C26	H26	110.7°	109.4°
C25	C26	H26A	111.5°	109.5°
H25	C25	H25A	113.1°	109.5°
C27	C26	H26	110.7°	109.4°
C27	C26	H26A	111.5°	109.5°
C26	C27	C28	114.0°	109.5°
C26	C27	H27	108.0°	109.5°
C26	C27	H27A	106.9°	109.5°
H26	C26	H26A	106.7°	109.5°
C28	C27	H27	108.0°	109.4°
C28	C27	H27A	107.0°	109.5°
C27	C28	C29	107.4°	109.5°
C27	C28	H28	110.2°	109.4°
C27	C28	H28A	110.6°	109.5°
H27	C27	H27A	113.1°	109.5°
C29	C28	H28	110.2°	109.5°
C29	C28	H28A	110.6°	109.4°
C28	C29	C2A	114.3°	109.5°
C28	C29	H29	107.9°	109.5°
C28	C29	H29A	106.8°	109.4°
H28	C28	H28A	107.9°	109.5°
C2A	C29	H29	107.9°	109.5°
C2A	C29	H29A	106.8°	109.4°
C29	C2A	C2B	105.9°	109.5°
C29	C2A	H2A	110.7°	109.5°
C29	C2A	H2AA	111.4°	109.4°
H29	C29	H29A	113.3°	109.4°
C2B	C2A	H2A	110.6°	109.5°
C2B	C2A	H2AA	111.4°	109.4°
C2A	C2B	C2C	110.7°	109.5°
C2A	C2B	H2B	109.1°	109.5°
C2A	C2B	H2BA	108.8°	109.4°
H2A	C2A	H2AA	106.8°	109.4°
C2C	C2B	H2B	109.1°	109.5°
C2C	C2B	H2BA	108.8°	109.4°
C2B	C2C	C2D	109.9°	109.5°
C2B	C2C	H2C	109.3°	109.5°
C2B	C2C	H2CA	109.2°	109.4°
H2B	C2B	H2BA	110.4°	109.4°
C2D	C2C	H2C	109.3°	109.5°
C2D	C2C	H2CA	109.2°	109.4°
C2C	C2D	C2E	112.8°	109.5°
C2C	C2D	H2D	108.4°	109.5°
C2C	C2D	H2DA	107.6°	109.4°
H2C	C2C	H2CA	109.8°	109.5°
C2E	C2D	H2D	108.4°	109.5°
C2E	C2D	H2DA	107.6°	109.5°
C2D	C2E	H2E	109.5°	109.4°
C2D	C2E	H2EA	109.5°	109.5°
C2D	C2E	H2EB	109.4°	109.5°
H2D	C2D	H2DA	112.1°	109.4°
H2E	C2E	H2EA	109.5°	109.5°
H2E	C2E	H2EB	109.5°	109.5°
H2EA	C2E	H2EB	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O12	P	O11	O14	116.1°	120.0°
O12	P	O11	O13	121.9°	120.0°
O12	P	O14	O13	124.9°	120.0°
O12	P	O11	C1	179.7°	55.0°
O12	P	O13	C11	62.3°	55.0°
O12	P	O14	HO14	136.3°	180.0°
O11	P	O14	O13	117.9°	120.0°
O11	P	O13	C11	179.0°	175.1°
O11	P	O14	HO14	106.5°	59.9°
P	O11	C1	C2	151.2°	180.0°
P	O11	C1	H1	88.8°	60.0°
P	O11	C1	H1A	31.9°	60.0°
O14	P	O11	C1	64.2°	65.0°
O14	P	O13	C11	58.9°	64.9°
O13	P	O11	C1	57.8°	175.0°
O13	P	O14	HO14	11.4°	60.1°
P	O13	C11	C12	90.1°	180.0°
P	O13	C11	H11	29.9°	60.1°
P	O13	C11	H11A	151.4°	60.0°
C12	N	HN	HNA	120.0°	124.0°
N	C12	C11	O13	171.4°	65.0°
N	C12	C11	H12	120.0°	120.0°
N	C12	C11	H12A	120.4°	120.0°
N	C12	C11	H11	51.4°	55.0°
N	C12	C11	H11A	70.0°	175.0°
N	C12	H12	H12A	120.4°	120.0°
HN	N	C12	C11	34.7°	179.9°
HN	N	C12	H12	154.7°	60.0°
HN	N	C12	H12A	85.7°	60.0°
HNA	N	C12	C11	154.6°	56.0°
HNA	N	C12	H12	85.3°	64.0°
HNA	N	C12	H12A	34.3°	176.0°
O11	C1	C2	H1	120.0°	120.0°
O11	C1	C2	H1A	119.4°	120.0°
O11	C1	H1	H1A	119.4°	120.0°
O11	C1	C2	C3	0.2°	55.0°
O11	C1	C2	O21	123.0°	65.0°
O11	C1	C2	H2	113.7°	175.0°
O13	C11	C12	H11	120.0°	120.0°
O13	C11	C12	H11A	118.6°	120.0°
O13	C11	H11	H11A	118.7°	120.1°
O13	C11	C12	H12	51.4°	55.0°
O13	C11	C12	H12A	68.2°	175.1°
C12	C11	H11	H11A	118.6°	119.9°
C11	C12	H12	H12A	120.4°	120.0°
H11	C11	C12	H12	68.6°	175.0°
H11	C11	C12	H12A	171.8°	65.0°
H11A	C11	C12	H12	170.0°	65.0°
H11A	C11	C12	H12A	50.4°	55.0°
C2	C1	H1	H1A	119.4°	120.0°
C1	C2	C3	O21	123.7°	120.0°
C1	C2	C3	H2	112.9°	120.0°
C1	C2	O21	H2	114.3°	120.1°
C1	C2	C3	O31	179.6°	55.0°
C1	C2	C3	H3	59.6°	175.0°
C1	C2	C3	H3A	58.2°	65.0°
C1	C2	O21	C21	78.8°	90.0°
H1	C1	C2	C3	120.2°	175.0°
H1	C1	C2	O21	3.0°	55.1°
H1	C1	C2	H2	126.3°	65.0°
H1A	C1	C2	C3	119.2°	65.0°
H1A	C1	C2	O21	117.6°	175.0°
H1A	C1	C2	H2	5.6°	55.0°
C3	C2	O21	H2	115.0°	120.0°
C2	C3	O31	H3	120.0°	120.1°
C2	C3	O31	H3A	122.3°	120.0°
C2	C3	H3	H3A	122.5°	120.0°
C2	C3	O31	C31	180.0°	180.0°
C3	C2	O21	C21	150.5°	150.0°
O21	C2	C3	O31	56.7°	65.0°
O21	C2	C3	H3	176.7°	55.0°
O21	C2	C3	H3A	65.5°	175.0°
C2	O21	C21	O22	0.1°	0.0°
C2	O21	C21	C22	180.0°	180.0°
H2	C2	C3	O31	66.7°	175.0°
H2	C2	C3	H3	53.4°	65.0°
H2	C2	C3	H3A	171.1°	55.0°
H2	C2	O21	C21	35.5°	30.0°
O31	C3	H3	H3A	122.5°	119.9°
C3	O31	C31	O32	0.1°	0.0°
C3	O31	C31	C32	179.9°	180.0°
H3	C3	O31	C31	60.0°	60.0°
H3A	C3	O31	C31	57.8°	60.0°
O31	C31	O32	C32	180.0°	180.0°
O31	C31	C32	C33	35.1°	180.0°
O31	C31	C32	H32	85.0°	60.0°
O31	C31	C32	H32A	152.8°	59.9°
O32	C31	C32	C33	145.0°	0.0°
O32	C31	C32	H32	95.0°	120.0°
O32	C31	C32	H32A	27.2°	120.0°
C31	C32	C33	H32	120.0°	120.0°
C31	C32	C33	H32A	117.8°	120.0°
C31	C32	H32	H32A	117.9°	119.9°
C31	C32	C33	C34	157.5°	180.0°
C31	C32	C33	H33	82.5°	60.0°
C31	C32	C33	H33A	37.5°	60.0°
C33	C32	H32	H32A	118.0°	120.0°
C32	C33	C34	H33	120.0°	120.0°
C32	C33	C34	H33A	120.0°	119.9°
C32	C33	H33	H33A	120.0°	120.0°
C32	C33	C34	C35	93.7°	180.0°
C32	C33	C34	H34	146.3°	60.0°
C32	C33	C34	H34A	25.6°	60.1°
H32	C32	C33	C34	37.5°	60.0°
H32	C32	C33	H33	157.5°	180.0°
H32	C32	C33	H33A	82.5°	60.0°
H32A	C32	C33	C34	84.7°	60.0°
H32A	C32	C33	H33	35.3°	60.0°
H32A	C32	C33	H33A	155.2°	180.0°
C34	C33	H33	H33A	120.1°	120.0°
C33	C34	C35	H34	120.0°	120.0°
C33	C34	C35	H34A	119.3°	120.0°
C33	C34	H34	H34A	119.3°	120.1°
C33	C34	C35	C36	143.2°	180.0°
C33	C34	C35	H35	96.8°	60.0°
C33	C34	C35	H35A	23.7°	60.0°
H33	C33	C34	C35	26.3°	60.0°
H33	C33	C34	H34	93.7°	180.0°
H33	C33	C34	H34A	145.6°	60.0°
H33A	C33	C34	C35	146.3°	60.0°
H33A	C33	C34	H34	26.3°	59.9°
H33A	C33	C34	H34A	94.5°	180.0°
C35	C34	H34	H34A	119.3°	120.0°
C34	C35	C36	H35	120.0°	120.0°
C34	C35	C36	H35A	119.5°	120.1°
C34	C35	H35	H35A	119.6°	120.0°
C34	C35	C36	C37	142.7°	180.0°
C34	C35	C36	H36	22.7°	60.0°
C34	C35	C36	H36A	97.0°	60.0°
H34	C34	C35	C36	23.2°	60.0°
H34	C34	C35	H35	143.2°	179.9°
H34	C34	C35	H35A	96.3°	60.0°
H34A	C34	C35	C36	97.5°	60.0°
H34A	C34	C35	H35	22.5°	60.0°
H34A	C34	C35	H35A	143.0°	180.0°
C36	C35	H35	H35A	119.5°	120.0°
C35	C36	C37	H36	120.0°	119.9°
C35	C36	C37	H36A	120.3°	120.0°
C35	C36	H36	H36A	120.3°	120.0°
C35	C36	C37	C38	142.1°	180.0°
C35	C36	C37	H37	22.1°	60.1°
C35	C36	C37	H37A	98.8°	60.0°
H35	C35	C36	C37	97.3°	60.0°
H35	C35	C36	H36	142.7°	180.0°
H35	C35	C36	H36A	23.0°	60.0°
H35A	C35	C36	C37	23.2°	59.9°
H35A	C35	C36	H36	96.8°	60.0°
H35A	C35	C36	H36A	143.5°	179.9°
C37	C36	H36	H36A	120.4°	120.0°
C36	C37	C38	H37	120.0°	120.0°
C36	C37	C38	H37A	119.1°	120.0°
C36	C37	H37	H37A	119.1°	120.0°
C36	C37	C38	C39	47.5°	180.0°
C36	C37	C38	H38	167.6°	60.0°
C36	C37	C38	H38A	70.9°	60.0°
H36	C36	C37	C38	97.9°	60.1°
H36	C36	C37	H37	142.1°	180.0°
H36	C36	C37	H37A	21.1°	60.0°
H36A	C36	C37	C38	21.8°	60.0°
H36A	C36	C37	H37	98.2°	60.0°
H36A	C36	C37	H37A	140.8°	180.0°
C38	C37	H37	H37A	119.1°	120.0°
C37	C38	C39	H38	120.0°	120.0°
C37	C38	C39	H38A	118.4°	120.0°
C37	C38	H38	H38A	118.5°	120.0°
C37	C38	C39	C3A	115.1°	180.0°
C37	C38	C39	H39	5.0°	60.0°
C37	C38	C39	H39A	125.7°	59.9°
H37	C37	C38	C39	72.4°	60.0°
H37	C37	C38	H38	47.6°	180.0°
H37	C37	C38	H38A	169.1°	60.0°
H37A	C37	C38	C39	166.6°	60.0°
H37A	C37	C38	H38	73.4°	60.0°
H37A	C37	C38	H38A	48.2°	180.0°
C39	C38	H38	H38A	118.5°	120.1°
C38	C39	C3A	H39	120.0°	120.0°
C38	C39	C3A	H39A	119.2°	120.0°
C38	C39	H39	H39A	119.1°	120.0°
C38	C39	C3A	C3B	170.3°	180.0°
C38	C39	C3A	H3AA	50.3°	60.1°
C38	C39	C3A	H3AB	70.2°	60.0°
H38	C38	C39	C3A	124.9°	60.0°
H38	C38	C39	H39	115.0°	180.0°
H38	C38	C39	H39A	5.8°	60.0°
H38A	C38	C39	C3A	3.4°	60.0°
H38A	C38	C39	H39	123.4°	60.0°
H38A	C38	C39	H39A	115.8°	179.9°
C3A	C39	H39	H39A	119.2°	120.0°
C39	C3A	C3B	H3AA	120.0°	120.0°
C39	C3A	C3B	H3AB	119.4°	120.0°
C39	C3A	H3AA	H3AB	119.5°	120.1°
C39	C3A	C3B	C3C	57.2°	180.0°
C39	C3A	C3B	H3B	62.8°	60.0°
C39	C3A	C3B	H3BA	177.2°	60.1°
H39	C39	C3A	C3B	69.7°	60.0°
H39	C39	C3A	H3AA	170.3°	179.9°
H39	C39	C3A	H3AB	49.8°	60.0°
H39A	C39	C3A	C3B	51.2°	60.0°
H39A	C39	C3A	H3AA	68.8°	60.0°
H39A	C39	C3A	H3AB	170.6°	180.0°
C3B	C3A	H3AA	H3AB	119.5°	120.0°
C3A	C3B	C3C	H3B	120.0°	120.1°
C3A	C3B	C3C	H3BA	120.0°	120.0°
C3A	C3B	H3B	H3BA	120.0°	120.0°
C3A	C3B	C3C	C3D	147.1°	180.0°
C3A	C3B	C3C	H3C	27.1°	59.9°
C3A	C3B	C3C	H3CA	92.4°	60.1°
H3AA	C3A	C3B	C3C	177.2°	60.0°
H3AA	C3A	C3B	H3B	57.2°	180.0°
H3AA	C3A	C3B	H3BA	62.8°	60.0°
H3AB	C3A	C3B	C3C	62.2°	60.0°
H3AB	C3A	C3B	H3B	177.8°	60.0°
H3AB	C3A	C3B	H3BA	57.8°	180.0°
C3C	C3B	H3B	H3BA	120.0°	119.9°
C3B	C3C	C3D	H3C	120.0°	120.0°
C3B	C3C	C3D	H3CA	120.5°	120.0°
C3B	C3C	H3C	H3CA	120.5°	120.0°
C3B	C3C	C3D	C3E	93.9°	180.0°
C3B	C3C	C3D	H3D	26.2°	60.0°
C3B	C3C	C3D	H3DA	144.3°	60.0°
H3B	C3B	C3C	C3D	92.9°	60.0°
H3B	C3B	C3C	H3C	147.1°	180.0°
H3B	C3B	C3C	H3CA	27.6°	60.0°
H3BA	C3B	C3C	C3D	27.1°	60.0°
H3BA	C3B	C3C	H3C	92.9°	60.0°
H3BA	C3B	C3C	H3CA	147.6°	180.0°
C3D	C3C	H3C	H3CA	120.5°	120.0°
C3C	C3D	C3E	H3D	120.0°	120.0°
C3C	C3D	C3E	H3DA	121.8°	120.1°
C3C	C3D	H3D	H3DA	121.9°	120.0°
C3C	C3D	C3E	C3F	151.0°	180.0°
C3C	C3D	C3E	H3E	31.0°	60.0°
C3C	C3D	C3E	H3EA	89.4°	59.9°
H3C	C3C	C3D	C3E	146.2°	60.0°
H3C	C3C	C3D	H3D	93.8°	180.0°
H3C	C3C	C3D	H3DA	24.4°	60.1°
H3CA	C3C	C3D	C3E	26.6°	60.0°
H3CA	C3C	C3D	H3D	146.6°	60.0°
H3CA	C3C	C3D	H3DA	95.2°	180.0°
C3E	C3D	H3D	H3DA	121.9°	120.0°
C3D	C3E	C3F	H3E	120.0°	120.0°
C3D	C3E	C3F	H3EA	119.7°	120.1°
C3D	C3E	H3E	H3EA	119.7°	119.9°
C3D	C3E	C3F	C3G	173.9°	180.0°
C3D	C3E	C3F	H3F	53.9°	60.0°
C3D	C3E	C3F	H3FA	66.0°	60.0°
H3D	C3D	C3E	C3F	89.0°	60.0°
H3D	C3D	C3E	H3E	151.0°	180.0°
H3D	C3D	C3E	H3EA	30.6°	60.1°
H3DA	C3D	C3E	C3F	29.2°	59.9°
H3DA	C3D	C3E	H3E	90.8°	60.1°
H3DA	C3D	C3E	H3EA	148.8°	180.0°
C3F	C3E	H3E	H3EA	119.6°	120.0°
C3E	C3F	C3G	H3F	120.0°	119.9°
C3E	C3F	C3G	H3FA	120.2°	120.0°
C3E	C3F	H3F	H3FA	120.2°	120.0°
C3E	C3F	C3G	C3H	151.4°	NaN°
C3E	C3F	C3G	H3G	88.6°	60.0°
C3E	C3F	C3G	H3GA	31.5°	60.0°
H3E	C3E	C3F	C3G	66.1°	60.0°
H3E	C3E	C3F	H3F	173.9°	180.0°
H3E	C3E	C3F	H3FA	54.0°	60.0°
H3EA	C3E	C3F	C3G	54.2°	59.9°
H3EA	C3E	C3F	H3F	65.8°	60.0°
H3EA	C3E	C3F	H3FA	174.4°	180.0°
C3G	C3F	H3F	H3FA	120.1°	120.1°
C3F	C3G	C3H	H3G	120.0°	119.9°
C3F	C3G	C3H	H3GA	119.9°	120.0°
C3F	C3G	H3G	H3GA	119.9°	120.0°
C3F	C3G	C3H	C3I	169.2°	180.0°
C3F	C3G	C3H	H3H	49.2°	60.0°
C3F	C3G	C3H	H3HA	70.2°	59.9°
H3F	C3F	C3G	C3H	31.4°	60.1°
H3F	C3F	C3G	H3G	151.4°	180.0°
H3F	C3F	C3G	H3GA	88.5°	59.9°
H3FA	C3F	C3G	C3H	88.5°	60.0°
H3FA	C3F	C3G	H3G	31.5°	60.0°
H3FA	C3F	C3G	H3GA	151.6°	180.0°
C3H	C3G	H3G	H3GA	119.9°	120.0°
C3G	C3H	C3I	H3H	120.0°	120.0°
C3G	C3H	C3I	H3HA	120.6°	120.1°
C3G	C3H	H3H	H3HA	120.6°	120.0°
C3G	C3H	C3I	H3I	86.8°	60.0°
C3G	C3H	C3I	H3IA	33.2°	60.0°
C3G	C3H	C3I	H3IB	153.2°	180.0°
H3G	C3G	C3H	C3I	70.8°	60.0°
H3G	C3G	C3H	H3H	169.2°	180.0°
H3G	C3G	C3H	H3HA	49.8°	60.0°
H3GA	C3G	C3H	C3I	49.3°	60.0°
H3GA	C3G	C3H	H3H	70.7°	60.0°
H3GA	C3G	C3H	H3HA	169.9°	180.0°
C3I	C3H	H3H	H3HA	120.6°	119.9°
C3H	C3I	H3I	H3IA	120.0°	120.0°
C3H	C3I	H3I	H3IB	120.0°	120.0°
C3H	C3I	H3IA	H3IB	120.0°	120.0°
H3H	C3H	C3I	H3I	153.1°	180.0°
H3H	C3H	C3I	H3IA	86.9°	60.0°
H3H	C3H	C3I	H3IB	33.2°	60.0°
H3HA	C3H	C3I	H3I	33.8°	60.1°
H3HA	C3H	C3I	H3IA	153.8°	179.9°
H3HA	C3H	C3I	H3IB	86.2°	60.0°
H3I	C3I	H3IA	H3IB	120.0°	120.0°
O21	C21	O22	C22	179.9°	180.0°
O21	C21	C22	C23	67.7°	180.0°
O21	C21	C22	H22	52.3°	60.0°
O21	C21	C22	H22A	173.2°	60.0°
O22	C21	C22	C23	112.4°	0.0°
O22	C21	C22	H22	127.6°	120.0°
O22	C21	C22	H22A	6.8°	120.0°
C21	C22	C23	H22	120.0°	120.0°
C21	C22	C23	H22A	119.1°	120.0°
C21	C22	H22	H22A	119.1°	120.0°
C21	C22	C23	C24	132.5°	180.0°
C21	C22	C23	H23	12.4°	60.0°
C21	C22	C23	H23A	108.5°	60.0°
C23	C22	H22	H22A	119.2°	120.0°
C22	C23	C24	H23	120.0°	119.9°
C22	C23	C24	H23A	119.0°	120.0°
C22	C23	H23	H23A	119.1°	120.0°
C22	C23	C24	C25	168.6°	180.0°
C22	C23	C24	H24	71.4°	60.1°
C22	C23	C24	H24A	48.2°	60.0°
H22	C22	C23	C24	107.6°	60.0°
H22	C22	C23	H23	132.4°	180.0°
H22	C22	C23	H23A	11.4°	60.0°
H22A	C22	C23	C24	13.3°	60.0°
H22A	C22	C23	H23	106.7°	60.0°
H22A	C22	C23	H23A	132.3°	180.0°
C24	C23	H23	H23A	119.0°	120.0°
C23	C24	C25	H24	120.0°	120.0°
C23	C24	C25	H24A	120.3°	120.0°
C23	C24	H24	H24A	120.3°	120.0°
C23	C24	C25	C26	159.9°	180.0°
C23	C24	C25	H25	39.9°	60.0°
C23	C24	C25	H25A	82.1°	60.0°
H23	C23	C24	C25	48.6°	60.1°
H23	C23	C24	H24	168.6°	180.0°
H23	C23	C24	H24A	71.8°	59.9°
H23A	C23	C24	C25	72.4°	60.0°
H23A	C23	C24	H24	47.6°	59.9°
H23A	C23	C24	H24A	167.3°	180.0°
C25	C24	H24	H24A	120.4°	120.0°
C24	C25	C26	H25	120.0°	120.0°
C24	C25	C26	H25A	118.0°	120.0°
C24	C25	H25	H25A	118.1°	120.0°
C24	C25	C26	C27	174.3°	NaN°
C24	C25	C26	H26	54.3°	60.0°
C24	C25	C26	H26A	64.3°	60.0°
H24	C24	C25	C26	80.0°	60.0°
H24	C24	C25	H25	160.0°	180.0°
H24	C24	C25	H25A	38.0°	60.0°
H24A	C24	C25	C26	39.6°	60.0°
H24A	C24	C25	H25	80.4°	60.0°
H24A	C24	C25	H25A	157.6°	NaN°
C26	C25	H25	H25A	118.1°	120.0°
C25	C26	C27	H26	120.0°	120.0°
C25	C26	C27	H26A	121.4°	120.0°
C25	C26	H26	H26A	121.5°	120.0°
C25	C26	C27	C28	168.5°	NaN°
C25	C26	C27	H27	71.4°	60.0°
C25	C26	C27	H27A	50.5°	60.0°
H25	C25	C26	C27	65.7°	60.0°
H25	C25	C26	H26	174.3°	179.9°
H25	C25	C26	H26A	55.7°	60.0°
H25A	C25	C26	C27	56.3°	60.0°
H25A	C25	C26	H26	63.7°	60.0°
H25A	C25	C26	H26A	177.7°	180.0°
C27	C26	H26	H26A	121.5°	120.0°
C26	C27	C28	H27	120.0°	120.0°
C26	C27	C28	H27A	118.0°	120.0°
C26	C27	H27	H27A	118.1°	120.0°
C26	C27	C28	C29	172.2°	180.0°
C26	C27	C28	H28	52.1°	60.0°
C26	C27	C28	H28A	67.0°	60.0°
H26	C26	C27	C28	48.5°	60.0°
H26	C26	C27	H27	168.6°	180.0°
H26	C26	C27	H27A	69.4°	60.0°
H26A	C26	C27	C28	70.1°	60.0°
H26A	C26	C27	H27	50.0°	60.0°
H26A	C26	C27	H27A	171.9°	180.0°
C28	C27	H27	H27A	118.1°	120.0°
C27	C28	C29	H28	120.0°	120.0°
C27	C28	C29	H28A	120.8°	120.0°
C27	C28	H28	H28A	120.8°	120.0°
C27	C28	C29	C2A	156.0°	180.0°
C27	C28	C29	H29	84.0°	60.0°
C27	C28	C29	H29A	38.1°	60.0°
H27	C27	C28	C29	67.8°	60.0°
H27	C27	C28	H28	172.2°	180.0°
H27	C27	C28	H28A	53.0°	60.0°
H27A	C27	C28	C29	54.2°	60.0°
H27A	C27	C28	H28	65.8°	60.0°
H27A	C27	C28	H28A	175.0°	180.0°
C29	C28	H28	H28A	120.8°	120.0°
C28	C29	C2A	H29	120.0°	120.1°
C28	C29	C2A	H29A	117.9°	120.0°
C28	C29	H29	H29A	118.0°	120.0°
C28	C29	C2A	C2B	144.6°	180.0°
C28	C29	C2A	H2A	24.6°	59.9°
C28	C29	C2A	H2AA	94.0°	60.0°
H28	C28	C29	C2A	35.9°	60.0°
H28	C28	C29	H29	155.9°	180.0°
H28	C28	C29	H29A	81.9°	60.0°
H28A	C28	C29	C2A	83.2°	60.0°
H28A	C28	C29	H29	36.8°	60.0°
H28A	C28	C29	H29A	158.9°	180.0°
C2A	C29	H29	H29A	118.0°	119.9°
C29	C2A	C2B	H2A	120.0°	120.1°
C29	C2A	C2B	H2AA	121.4°	120.0°
C29	C2A	H2A	H2AA	121.5°	120.0°
C29	C2A	C2B	C2C	132.3°	180.0°
C29	C2A	C2B	H2B	12.3°	59.9°
C29	C2A	C2B	H2BA	108.3°	60.0°
H29	C29	C2A	C2B	95.4°	59.9°
H29	C29	C2A	H2A	144.6°	180.0°
H29	C29	C2A	H2AA	25.9°	60.1°
H29A	C29	C2A	C2B	26.7°	60.0°
H29A	C29	C2A	H2A	93.2°	60.0°
H29A	C29	C2A	H2AA	148.1°	180.0°
C2B	C2A	H2A	H2AA	121.4°	119.9°
C2A	C2B	C2C	H2B	120.0°	120.1°
C2A	C2B	C2C	H2BA	119.5°	120.0°
C2A	C2B	H2B	H2BA	119.5°	120.0°
C2A	C2B	C2C	C2D	87.1°	180.0°
C2A	C2B	C2C	H2C	32.9°	60.0°
C2A	C2B	C2C	H2CA	153.1°	60.0°
H2A	C2A	C2B	C2C	107.7°	59.9°
H2A	C2A	C2B	H2B	132.3°	180.0°
H2A	C2A	C2B	H2BA	11.7°	60.1°
H2AA	C2A	C2B	C2C	10.9°	60.0°
H2AA	C2A	C2B	H2B	109.1°	60.0°
H2AA	C2A	C2B	H2BA	130.4°	180.0°
C2C	C2B	H2B	H2BA	119.5°	120.0°
C2B	C2C	C2D	H2C	120.0°	120.1°
C2B	C2C	C2D	H2CA	119.8°	120.0°
C2B	C2C	H2C	H2CA	119.8°	120.0°
C2B	C2C	C2D	C2E	170.2°	179.9°
C2B	C2C	C2D	H2D	50.2°	59.9°
C2B	C2C	C2D	H2DA	71.3°	60.0°
H2B	C2B	C2C	C2D	152.9°	59.9°
H2B	C2B	C2C	H2C	87.1°	180.0°
H2B	C2B	C2C	H2CA	33.1°	60.1°
H2BA	C2B	C2C	C2D	32.4°	60.0°
H2BA	C2B	C2C	H2C	152.4°	60.0°
H2BA	C2B	C2C	H2CA	87.4°	180.0°
C2D	C2C	H2C	H2CA	119.8°	120.0°
C2C	C2D	C2E	H2D	120.0°	120.0°
C2C	C2D	C2E	H2DA	118.5°	120.0°
C2C	C2D	H2D	H2DA	118.6°	119.9°
C2C	C2D	C2E	H2E	48.8°	60.0°
C2C	C2D	C2E	H2EA	168.8°	60.0°
C2C	C2D	C2E	H2EB	71.2°	179.9°
H2C	C2C	C2D	C2E	69.8°	60.0°
H2C	C2C	C2D	H2D	170.2°	180.0°
H2C	C2C	C2D	H2DA	48.7°	60.0°
H2CA	C2C	C2D	C2E	50.4°	60.0°
H2CA	C2C	C2D	H2D	69.6°	60.1°
H2CA	C2C	C2D	H2DA	168.9°	180.0°
C2E	C2D	H2D	H2DA	118.6°	120.0°
C2D	C2E	H2E	H2EA	120.0°	120.0°
C2D	C2E	H2E	H2EB	120.0°	120.0°
C2D	C2E	H2EA	H2EB	120.0°	120.1°
H2D	C2D	C2E	H2E	71.2°	180.0°
H2D	C2D	C2E	H2EA	48.8°	60.0°
H2D	C2D	C2E	H2EB	168.8°	60.0°
H2DA	C2D	C2E	H2E	167.4°	60.0°
H2DA	C2D	C2E	H2EA	72.6°	180.0°
H2DA	C2D	C2E	H2EB	47.4°	59.9°
H2E	C2E	H2EA	H2EB	120.0°	120.0°

Definition date:	2008-04-28
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	3CX5