PA6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O32	C31	doub	1.22Å	1.22Å
C31	O31	sing	1.37Å	1.46Å
C31	C32	sing	1.51Å	1.51Å
C32	C33	sing	1.53Å	1.52Å
C32	H321	sing	1.10Å	1.10Å
C32	H322	sing	1.10Å	1.10Å
C33	C34	sing	1.53Å	1.52Å
C33	H331	sing	1.10Å	1.10Å
C33	H332	sing	1.10Å	1.10Å
C34	C35	sing	1.52Å	1.51Å
C34	H341	sing	1.10Å	1.10Å
C34	H342	sing	1.10Å	1.10Å
C35	H351	sing	1.09Å	1.10Å
C35	H352	sing	1.09Å	1.10Å
C35	H353	sing	1.09Å	1.10Å
O31	C3	sing	1.43Å	1.43Å
C3	C2	sing	1.52Å	1.53Å
C3	H31	sing	1.10Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C2	O21	sing	1.43Å	1.43Å
C2	C1	sing	1.52Å	1.52Å
C2	H2	sing	1.10Å	1.10Å
O21	C21	sing	1.36Å	1.45Å
C21	O22	doub	1.22Å	1.22Å
C21	H21	sing	1.10Å	1.08Å
C1	O11	sing	1.42Å	1.42Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
O11	P	sing	1.62Å	1.61Å
P	O14	doub	1.50Å	1.51Å
P	O13	sing	1.62Å	1.51Å
P	O12	sing	1.62Å	1.51Å
O13	HO13	sing	0.98Å	0.95Å
O12	HO12	sing	0.98Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O32	C31	O31	119.0°	125.9°
O32	C31	C32	120.4°	125.2°
O31	C31	C32	120.6°	108.9°
C31	O31	C3	120.8°	115.5°
C31	C32	C33	109.8°	112.0°
C31	C32	H321	109.3°	108.1°
C31	C32	H322	109.3°	108.2°
C33	C32	H321	109.4°	109.7°
C33	C32	H322	109.3°	109.7°
C32	C33	C34	111.1°	111.4°
C32	C33	H331	108.9°	109.6°
C32	C33	H332	108.6°	109.7°
H321	C32	H322	109.8°	109.1°
C34	C33	H331	108.9°	109.7°
C34	C33	H332	108.6°	109.7°
C33	C34	C35	111.0°	111.5°
C33	C34	H341	108.9°	109.9°
C33	C34	H342	108.6°	109.8°
H331	C33	H332	110.7°	106.6°
C35	C34	H341	109.0°	109.1°
C35	C34	H342	108.6°	109.1°
C34	C35	H351	109.5°	111.0°
C34	C35	H352	109.4°	111.0°
C34	C35	H353	109.4°	110.3°
H341	C34	H342	110.7°	107.2°
H351	C35	H352	109.5°	108.4°
H351	C35	H353	109.5°	108.1°
H352	C35	H353	109.5°	108.1°
O31	C3	C2	110.2°	108.9°
O31	C3	H31	109.2°	107.9°
O31	C3	H32	109.0°	108.0°
C2	C3	H31	109.2°	111.3°
C2	C3	H32	109.1°	111.1°
C3	C2	O21	109.9°	108.0°
C3	C2	C1	109.3°	111.4°
C3	C2	H2	109.1°	110.6°
H31	C3	H32	110.1°	109.5°
O21	C2	C1	109.0°	108.7°
O21	C2	H2	109.4°	106.7°
C2	O21	C21	119.9°	115.4°
C1	C2	H2	110.0°	111.2°
C2	C1	O11	109.5°	109.8°
C2	C1	H11	109.5°	111.6°
C2	C1	H12	109.4°	111.2°
O21	C21	O22	120.1°	127.6°
O21	C21	H21	120.0°	108.5°
O22	C21	H21	119.9°	123.9°
O11	C1	H11	109.4°	108.0°
O11	C1	H12	109.5°	107.3°
C1	O11	P	119.9°	118.3°
H11	C1	H12	109.5°	108.8°
O11	P	O14	103.7°	115.1°
O11	P	O13	104.1°	102.7°
O11	P	O12	103.9°	103.8°
O14	P	O13	114.6°	115.0°
O14	P	O12	114.3°	115.3°
O13	P	O12	114.4°	103.3°
P	O13	HO13	109.5°	118.9°
P	O12	HO12	109.5°	118.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O32	C31	O31	C32	180.0°	180.0°
O32	C31	C32	C33	115.2°	0.9°
O32	C31	C32	H321	4.8°	120.0°
O32	C31	C32	H322	125.0°	121.9°
O32	C31	O31	C3	120.7°	0.1°
O31	C31	C32	C33	64.8°	179.1°
O31	C31	C32	H321	175.2°	60.0°
O31	C31	C32	H322	55.1°	58.1°
C31	O31	C3	C2	80.4°	180.0°
C31	O31	C3	H31	159.6°	59.1°
C31	O31	C3	H32	39.3°	59.2°
C31	C32	C33	H321	120.0°	120.0°
C31	C32	C33	H322	119.8°	120.1°
C31	C32	H321	H322	119.8°	117.4°
C31	C32	C33	C34	166.6°	178.4°
C31	C32	C33	H331	73.4°	60.0°
C31	C32	C33	H332	47.2°	56.8°
C32	C31	O31	C3	59.3°	179.9°
C33	C32	H321	H322	119.9°	120.2°
C32	C33	C34	H331	120.0°	121.6°
C32	C33	C34	H332	119.3°	121.6°
C32	C33	H331	H332	119.4°	118.7°
C32	C33	C34	C35	84.2°	178.4°
C32	C33	C34	H341	155.8°	60.4°
C32	C33	C34	H342	35.1°	57.3°
H321	C32	C33	C34	46.6°	58.3°
H321	C32	C33	H331	166.6°	179.9°
H321	C32	C33	H332	72.8°	63.3°
H322	C32	C33	C34	73.6°	61.5°
H322	C32	C33	H331	46.4°	60.1°
H322	C32	C33	H332	167.1°	176.9°
C34	C33	H331	H332	119.4°	118.7°
C33	C34	C35	H341	120.0°	121.6°
C33	C34	C35	H342	119.3°	121.5°
C33	C34	H341	H342	119.4°	119.3°
C33	C34	C35	H351	48.7°	60.2°
C33	C34	C35	H352	168.7°	60.3°
C33	C34	C35	H353	71.3°	179.9°
H331	C33	C34	C35	35.7°	60.0°
H331	C33	C34	H341	84.3°	61.1°
H331	C33	C34	H342	155.1°	178.9°
H332	C33	C34	C35	156.4°	56.8°
H332	C33	C34	H341	36.4°	177.9°
H332	C33	C34	H342	84.3°	64.3°
C35	C34	H341	H342	119.4°	118.1°
C34	C35	H351	H352	120.0°	122.1°
C34	C35	H351	H353	120.0°	121.0°
C34	C35	H352	H353	120.0°	121.0°
H341	C34	C35	H351	71.3°	61.3°
H341	C34	C35	H352	48.7°	178.1°
H341	C34	C35	H353	168.7°	58.4°
H342	C34	C35	H351	168.0°	178.2°
H342	C34	C35	H352	71.9°	61.2°
H342	C34	C35	H353	48.1°	58.5°
H351	C35	H352	H353	120.0°	116.9°
O31	C3	C2	H31	120.0°	118.8°
O31	C3	C2	H32	119.7°	118.9°
O31	C3	H31	H32	119.7°	117.3°
O31	C3	C2	O21	97.2°	59.5°
O31	C3	C2	C1	143.1°	178.8°
O31	C3	C2	H2	22.8°	57.0°
C2	C3	H31	H32	119.7°	123.3°
C3	C2	O21	C1	119.9°	121.0°
C3	C2	O21	H2	119.8°	118.9°
C3	C2	C1	H2	119.8°	123.8°
C3	C2	O21	C21	97.5°	178.9°
C3	C2	C1	O11	5.3°	60.3°
C3	C2	C1	H11	125.3°	180.0°
C3	C2	C1	H12	114.6°	58.3°
H31	C3	C2	O21	22.8°	59.3°
H31	C3	C2	C1	96.9°	60.0°
H31	C3	C2	H2	142.8°	175.8°
H32	C3	C2	O21	143.1°	178.3°
H32	C3	C2	C1	23.5°	62.3°
H32	C3	C2	H2	96.9°	61.9°
O21	C2	C1	H2	120.0°	117.2°
C2	O21	C21	O22	100.5°	0.0°
C2	O21	C21	H21	79.5°	179.9°
O21	C2	C1	O11	125.6°	58.7°
O21	C2	C1	H11	114.5°	61.0°
O21	C2	C1	H12	5.6°	177.2°
C1	C2	O21	C21	22.3°	60.0°
C2	C1	O11	H11	120.0°	121.9°
C2	C1	O11	H12	120.0°	121.0°
C2	C1	H11	H12	120.0°	123.1°
C2	C1	O11	P	118.8°	180.0°
H2	C2	O21	C21	142.7°	60.0°
H2	C2	C1	O11	114.5°	175.9°
H2	C2	C1	H11	5.5°	56.2°
H2	C2	C1	H12	125.5°	65.5°
O21	C21	O22	H21	180.0°	179.9°
O11	C1	H11	H12	120.0°	116.1°
C1	O11	P	O14	61.3°	180.0°
C1	O11	P	O13	178.5°	54.3°
C1	O11	P	O12	58.4°	53.1°
H11	C1	O11	P	1.2°	58.1°
H12	C1	O11	P	121.2°	59.0°
O11	P	O14	O13	112.8°	119.1°
O11	P	O14	O12	112.4°	120.8°
O11	P	O13	O12	112.7°	107.7°
O11	P	O13	HO13	76.7°	173.8°
O11	P	O12	HO12	126.9°	175.6°
O14	P	O13	O12	134.8°	126.5°
O14	P	O13	HO13	35.8°	48.0°
O14	P	O12	HO12	120.9°	48.8°
O13	P	O12	HO12	14.0°	77.5°
O12	P	O13	HO13	170.6°	78.5°

Definition date:	2006-11-07
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	2NR9