PCV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C8	sing	1.35Å	1.41Å
N1	C7	sing	1.46Å	1.41Å
N1	C1	sing	1.47Å	1.48Å
C8	O1	doub	1.21Å	1.22Å
C8	C9	sing	1.51Å	1.48Å
C9	C7	sing	1.53Å	1.48Å
C9	HC91	sing	1.09Å	1.12Å
C9	HC92	sing	1.09Å	1.11Å
C7	HC71	sing	1.09Å	1.11Å
C7	HC72	sing	1.09Å	1.12Å
C1	C2	sing	1.53Å	1.58Å
C1	C3	sing	1.51Å	1.53Å
C1	HC1	sing	1.09Å	1.11Å
C2	C4	sing	1.53Å	1.56Å
C2	O3	sing	1.43Å	1.40Å
C2	H22	sing	1.09Å	1.11Å
C4	C5	sing	1.53Å	1.55Å
C4	HC41	sing	1.09Å	1.11Å
C4	HC42	sing	1.09Å	1.12Å
C5	N2	sing	1.47Å	1.47Å
C5	HC51	sing	1.09Å	1.11Å
C5	HC52	sing	1.09Å	1.11Å
N2	HN21	sing	1.01Å	1.02Å
N2	HN22	sing	1.01Å	1.02Å
O3	HO3	sing	0.97Å	0.95Å
C3	O2	doub	1.21Å	1.33Å
C3	O4	sing	1.34Å	1.22Å
O4	HO4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	N1	C7	93.5°	90.7°
C8	N1	C1	132.0°	134.6°
N1	C8	O1	135.2°	131.9°
N1	C8	C9	89.6°	96.3°
C7	N1	C1	134.6°	134.6°
N1	C7	C9	89.3°	90.6°
N1	C7	HC71	120.3°	113.1°
N1	C7	HC72	120.3°	113.1°
N1	C1	C2	114.2°	109.5°
N1	C1	C3	111.5°	109.5°
N1	C1	HC1	105.5°	109.5°
O1	C8	C9	135.2°	131.8°
C8	C9	C7	87.6°	82.5°
C8	C9	HC91	121.0°	114.6°
C8	C9	HC92	121.1°	114.2°
C7	C9	HC91	121.0°	114.4°
C7	C9	HC92	121.0°	114.4°
C9	C7	HC71	120.3°	113.0°
C9	C7	HC72	120.3°	113.1°
HC91	C9	HC92	88.8°	113.4°
HC71	C7	HC72	89.6°	112.4°
C2	C1	C3	111.8°	109.5°
C2	C1	HC1	105.1°	109.5°
C1	C2	C4	114.5°	109.5°
C1	C2	O3	109.7°	109.5°
C1	C2	H22	105.3°	109.5°
C3	C1	HC1	108.2°	109.5°
C1	C3	O2	120.3°	120.0°
C1	C3	O4	122.4°	120.0°
C4	C2	O3	107.9°	109.4°
C4	C2	H22	107.3°	109.5°
C2	C4	C5	112.3°	109.5°
C2	C4	HC41	111.2°	109.5°
C2	C4	HC42	111.2°	109.5°
O3	C2	H22	112.3°	109.5°
C2	O3	HO3	109.7°	106.8°
C5	C4	HC41	111.2°	109.5°
C5	C4	HC42	111.1°	109.5°
C4	C5	N2	112.6°	109.5°
C4	C5	HC51	111.1°	109.5°
C4	C5	HC52	111.1°	109.5°
HC41	C4	HC42	99.1°	109.5°
N2	C5	HC51	111.0°	109.4°
N2	C5	HC52	111.0°	109.4°
C5	N2	HN21	112.6°	106.7°
C5	N2	HN22	111.1°	106.8°
HC51	C5	HC52	99.3°	109.4°
HN21	N2	HN22	111.0°	106.7°
O2	C3	O4	117.3°	120.0°
C3	O4	HO4	122.4°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	N1	C7	C1	179.0°	179.7°
N1	C8	O1	C9	179.1°	179.7°
C8	N1	C7	C9	0.4°	0.3°
N1	C8	C9	HC91	124.8°	113.2°
N1	C8	C9	HC92	125.6°	113.7°
C8	N1	C7	HC71	124.9°	115.7°
C8	N1	C7	HC72	125.7°	115.2°
C8	N1	C1	C2	128.2°	60.4°
C8	N1	C1	C3	104.0°	59.6°
C8	N1	C1	HC1	13.3°	179.6°
C7	N1	C8	O1	178.9°	179.9°
N1	C7	C9	HC71	125.3°	115.4°
N1	C7	C9	HC72	125.3°	115.5°
N1	C7	C9	HC91	124.8°	113.4°
N1	C7	C9	HC92	125.7°	113.4°
N1	C7	HC71	HC72	125.5°	129.5°
C7	N1	C1	C2	50.5°	120.1°
C7	N1	C1	C3	77.4°	119.9°
C7	N1	C1	HC1	165.3°	0.0°
C1	N1	C8	O1	2.0°	0.2°
C1	N1	C8	C9	178.6°	180.0°
C1	N1	C7	C9	178.5°	180.0°
C1	N1	C7	HC71	56.2°	64.6°
C1	N1	C7	HC72	53.3°	64.5°
N1	C1	C2	C3	127.7°	120.0°
N1	C1	C2	HC1	115.1°	120.0°
N1	C1	C3	HC1	115.6°	120.0°
N1	C1	C2	C4	41.6°	55.0°
N1	C1	C2	O3	79.8°	65.0°
N1	C1	C2	H22	159.2°	175.0°
N1	C1	C3	O2	140.7°	0.0°
N1	C1	C3	O4	38.9°	180.0°
O1	C8	C9	C7	179.0°	179.9°
O1	C8	C9	HC91	55.8°	66.6°
O1	C8	C9	HC92	53.7°	66.5°
C8	C9	C7	HC91	125.2°	113.6°
C8	C9	C7	HC92	125.3°	113.2°
C8	C9	HC91	HC92	126.2°	133.5°
C8	C9	C7	HC71	124.9°	115.7°
C8	C9	C7	HC72	125.7°	115.3°
C7	C9	HC91	HC92	126.1°	133.7°
C9	C7	HC71	HC72	125.5°	129.4°
HC91	C9	C7	HC71	109.9°	2.1°
HC91	C9	C7	HC72	0.4°	131.1°
HC92	C9	C7	HC71	0.4°	131.1°
HC92	C9	C7	HC72	109.0°	2.1°
C2	C1	C3	HC1	115.3°	120.0°
C1	C2	C4	O3	122.5°	120.0°
C1	C2	C4	H22	116.4°	120.0°
C1	C2	O3	H22	116.7°	120.1°
C1	C2	C4	C5	89.0°	175.0°
C1	C2	C4	HC41	36.3°	65.0°
C1	C2	C4	HC42	145.8°	55.0°
C1	C2	O3	HO3	180.0°	59.9°
C2	C1	C3	O2	90.1°	120.0°
C2	C1	C3	O4	90.3°	59.9°
C3	C1	C2	C4	169.3°	175.0°
C3	C1	C2	O3	47.9°	55.0°
C3	C1	C2	H22	73.1°	65.0°
C1	C3	O2	O4	179.6°	179.9°
C1	C3	O4	HO4	179.9°	180.0°
HC1	C1	C2	C4	73.5°	65.0°
HC1	C1	C2	O3	165.1°	175.0°
HC1	C1	C2	H22	44.1°	55.0°
HC1	C1	C3	O2	25.1°	120.0°
HC1	C1	C3	O4	154.5°	60.0°
C4	C2	O3	H22	118.0°	120.0°
C2	C4	C5	HC41	125.3°	120.0°
C2	C4	C5	HC42	125.3°	120.0°
C2	C4	HC41	HC42	117.1°	120.0°
C2	C4	C5	N2	129.9°	180.0°
C2	C4	C5	HC51	4.7°	60.0°
C2	C4	C5	HC52	104.9°	60.0°
C4	C2	O3	HO3	54.6°	60.0°
O3	C2	C4	C5	148.5°	65.0°
O3	C2	C4	HC41	86.2°	55.0°
O3	C2	C4	HC42	23.3°	175.0°
H22	C2	C4	C5	27.4°	55.0°
H22	C2	C4	HC41	152.7°	175.0°
H22	C2	C4	HC42	97.8°	65.0°
H22	C2	O3	HO3	63.4°	180.0°
C5	C4	HC41	HC42	117.0°	120.0°
C4	C5	N2	HC51	125.3°	120.1°
C4	C5	N2	HC52	125.3°	120.0°
C4	C5	HC51	HC52	117.0°	120.0°
C4	C5	N2	HN21	180.0°	66.2°
C4	C5	N2	HN22	54.7°	180.0°
HC41	C4	C5	N2	104.8°	60.0°
HC41	C4	C5	HC51	130.0°	180.0°
HC41	C4	C5	HC52	20.4°	60.0°
HC42	C4	C5	N2	4.6°	60.0°
HC42	C4	C5	HC51	120.6°	60.0°
HC42	C4	C5	HC52	129.8°	180.0°
N2	C5	HC51	HC52	116.9°	119.9°
C5	N2	HN21	HN22	125.3°	113.9°
HC51	C5	N2	HN21	54.7°	173.8°
HC51	C5	N2	HN22	70.5°	59.9°
HC52	C5	N2	HN21	54.7°	53.8°
HC52	C5	N2	HN22	180.0°	60.0°
O2	C3	O4	HO4	0.4°	0.0°

Definition date:	2000-01-21
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1DRT