SNR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N2	sing	1.34Å	1.33Å
C1	N5	sing	1.34Å	1.34Å
C1	O11	doub	1.22Å	1.22Å
N2	C3	sing	1.47Å	1.45Å
N2	HN2	sing	0.97Å	1.02Å
C3	C4	sing	1.53Å	1.54Å
C3	C8	sing	1.54Å	1.57Å
C3	H3	sing	1.09Å	1.12Å
C4	N5	sing	1.47Å	1.46Å
C4	C6	sing	1.54Å	1.58Å
C4	H4	sing	1.09Å	1.11Å
N5	HN5	sing	0.97Å	1.02Å
C6	S7	sing	1.84Å	1.82Å
C6	C12	sing	1.53Å	1.56Å
C6	H6	sing	1.09Å	1.11Å
S7	C8	sing	1.85Å	1.82Å
C8	H81	sing	1.09Å	1.12Å
C8	H82	sing	1.09Å	1.12Å
C12	C13	sing	1.53Å	1.52Å
C12	H11	sing	1.09Å	1.12Å
C12	H21	sing	1.09Å	1.12Å
C13	C14	sing	1.53Å	1.52Å
C13	H12	sing	1.09Å	1.11Å
C13	H22	sing	1.09Å	1.11Å
C14	C15	sing	1.51Å	1.50Å
C14	H13	sing	1.09Å	1.11Å
C14	H23	sing	1.09Å	1.12Å
C15	O16	sing	1.34Å	1.22Å
C15	O17	doub	1.21Å	1.35Å
O16	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C1	N5	112.0°	113.9°
N2	C1	O11	123.7°	123.0°
C1	N2	C3	110.3°	109.0°
C1	N2	HN2	111.9°	125.6°
N5	C1	O11	124.3°	123.1°
C1	N5	C4	111.0°	109.0°
C1	N5	HN5	121.1°	125.6°
C3	N2	HN2	111.9°	125.5°
N2	C3	C4	104.2°	104.1°
N2	C3	C8	108.8°	109.2°
N2	C3	H3	114.7°	110.0°
C4	C3	C8	113.3°	113.7°
C4	C3	H3	110.3°	109.7°
C3	C4	N5	102.5°	104.0°
C3	C4	C6	107.8°	113.6°
C3	C4	H4	118.0°	110.1°
C8	C3	H3	105.8°	110.0°
C3	C8	S7	102.0°	101.4°
C3	C8	H81	115.1°	111.0°
C3	C8	H82	115.0°	111.1°
N5	C4	C6	117.4°	109.0°
N5	C4	H4	108.5°	110.1°
C4	N5	HN5	127.9°	125.4°
C6	C4	H4	103.3°	109.8°
C4	C6	S7	102.6°	101.4°
C4	C6	C12	116.5°	111.0°
C4	C6	H6	112.1°	111.0°
S7	C6	C12	115.9°	111.1°
S7	C6	H6	112.7°	111.1°
C6	S7	C8	93.6°	97.4°
C12	C6	H6	97.5°	111.0°
C6	C12	C13	114.5°	109.5°
C6	C12	H11	110.4°	109.5°
C6	C12	H21	110.4°	109.5°
S7	C8	H81	115.1°	111.1°
S7	C8	H82	115.1°	111.1°
H81	C8	H82	95.4°	110.9°
C13	C12	H11	110.4°	109.5°
C13	C12	H21	110.4°	109.5°
C12	C13	C14	114.5°	109.5°
C12	C13	H12	110.3°	109.5°
C12	C13	H22	110.4°	109.5°
H11	C12	H21	99.9°	109.4°
C14	C13	H12	110.4°	109.5°
C14	C13	H22	110.3°	109.5°
C13	C14	C15	107.5°	109.5°
C13	C14	H13	112.9°	109.5°
C13	C14	H23	113.0°	109.5°
H12	C13	H22	99.9°	109.4°
C15	C14	H13	112.9°	109.4°
C15	C14	H23	112.9°	109.4°
C14	C15	O16	119.7°	120.0°
C14	C15	O17	120.9°	120.0°
H13	C14	H23	97.5°	109.5°
O16	C15	O17	119.4°	120.0°
C15	O16	H16	119.7°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C1	N5	O11	179.8°	179.9°
C1	N2	C3	HN2	125.2°	179.9°
C1	N2	C3	C4	0.3°	0.1°
C1	N2	C3	C8	120.8°	121.7°
C1	N2	C3	H3	120.9°	117.5°
N2	C1	N5	C4	0.0°	0.1°
N2	C1	N5	HN5	180.0°	180.0°
N5	C1	N2	C3	0.2°	0.0°
N5	C1	N2	HN2	125.4°	179.9°
C1	N5	C4	C3	0.2°	0.1°
C1	N5	C4	HN5	180.0°	179.9°
C1	N5	C4	C6	118.1°	121.6°
C1	N5	C4	H4	125.4°	117.8°
O11	C1	N2	C3	179.9°	179.9°
O11	C1	N2	HN2	54.8°	0.0°
O11	C1	N5	C4	179.8°	180.0°
O11	C1	N5	HN5	0.3°	0.1°
N2	C3	C4	C8	118.1°	118.7°
N2	C3	C4	H3	123.5°	117.7°
N2	C3	C8	H3	123.7°	120.8°
N2	C3	C4	N5	0.3°	0.1°
N2	C3	C4	C6	124.8°	118.5°
N2	C3	C4	H4	118.8°	117.9°
N2	C3	C8	S7	92.4°	93.3°
N2	C3	C8	H81	32.9°	24.7°
N2	C3	C8	H82	142.4°	148.6°
HN2	N2	C3	C4	125.5°	180.0°
HN2	N2	C3	C8	4.4°	58.2°
HN2	N2	C3	H3	113.8°	62.5°
C4	C3	C8	H3	121.0°	123.5°
C3	C4	N5	C6	118.0°	121.5°
C3	C4	N5	H4	125.5°	118.0°
C3	C4	C6	H4	125.6°	123.8°
C3	C4	N5	HN5	179.8°	180.0°
C3	C4	C6	S7	33.4°	22.2°
C3	C4	C6	C12	161.1°	140.3°
C3	C4	C6	H6	87.8°	95.8°
C4	C3	C8	S7	23.0°	22.5°
C4	C3	C8	H81	148.3°	140.5°
C4	C3	C8	H82	102.3°	95.6°
C8	C3	C4	N5	117.8°	118.6°
C8	C3	C4	C6	6.7°	0.2°
C8	C3	C4	H4	123.1°	123.5°
C3	C8	S7	C6	38.2°	31.9°
C3	C8	S7	H81	125.3°	118.0°
C3	C8	S7	H82	125.2°	118.1°
C3	C8	H81	H82	120.9°	124.0°
H3	C3	C4	N5	123.8°	117.8°
H3	C3	C4	C6	111.7°	123.8°
H3	C3	C4	H4	4.7°	0.2°
H3	C3	C8	S7	144.0°	145.9°
H3	C3	C8	H81	90.8°	96.1°
H3	C3	C8	H82	18.7°	27.8°
N5	C4	C6	H4	119.3°	120.8°
N5	C4	C6	S7	81.7°	93.2°
N5	C4	C6	C12	46.1°	24.9°
N5	C4	C6	H6	157.2°	148.8°
C6	C4	N5	HN5	61.8°	58.5°
C4	C6	S7	C12	128.1°	118.0°
C4	C6	S7	H6	120.7°	118.0°
C4	C6	C12	H6	119.3°	123.9°
C4	C6	S7	C8	42.7°	31.8°
C4	C6	C12	C13	146.9°	176.8°
C4	C6	C12	H11	21.6°	63.3°
C4	C6	C12	H21	87.9°	56.7°
H4	C4	N5	HN5	54.7°	62.1°
H4	C4	C6	S7	159.0°	146.0°
H4	C4	C6	C12	73.2°	95.9°
H4	C4	C6	H6	37.9°	28.0°
S7	C6	C12	H6	119.8°	124.0°
C6	S7	C8	H81	163.4°	149.8°
C6	S7	C8	H82	87.1°	86.2°
S7	C6	C12	C13	92.3°	64.7°
S7	C6	C12	H11	142.5°	175.3°
S7	C6	C12	H21	33.0°	55.3°
C12	C6	S7	C8	170.8°	149.8°
C6	C12	C13	H11	125.3°	120.0°
C6	C12	C13	H21	125.3°	120.1°
C6	C12	H11	H21	116.2°	120.0°
C6	C12	C13	C14	179.8°	180.0°
C6	C12	C13	H12	54.6°	60.0°
C6	C12	C13	H22	54.9°	60.0°
H6	C6	S7	C8	78.0°	86.2°
H6	C6	C12	C13	27.6°	59.3°
H6	C6	C12	H11	97.7°	60.7°
H6	C6	C12	H21	152.8°	179.4°
S7	C8	H81	H82	120.9°	124.0°
C13	C12	H11	H21	116.2°	120.0°
C12	C13	C14	H12	125.3°	120.0°
C12	C13	C14	H22	125.3°	120.0°
C12	C13	H12	H22	116.2°	120.0°
C12	C13	C14	C15	179.9°	180.0°
C12	C13	C14	H13	54.7°	60.0°
C12	C13	C14	H23	54.8°	60.0°
H11	C12	C13	C14	54.9°	60.0°
H11	C12	C13	H12	179.8°	180.0°
H11	C12	C13	H22	70.4°	60.0°
H21	C12	C13	C14	54.6°	60.0°
H21	C12	C13	H12	70.7°	60.1°
H21	C12	C13	H22	179.8°	180.0°
C14	C13	H12	H22	116.2°	120.0°
C13	C14	C15	H13	125.3°	120.0°
C13	C14	C15	H23	125.3°	120.1°
C13	C14	H13	H23	118.9°	120.0°
C13	C14	C15	O16	78.6°	180.0°
C13	C14	C15	O17	100.0°	0.0°
H12	C13	C14	C15	54.8°	60.0°
H12	C13	C14	H13	179.9°	179.9°
H12	C13	C14	H23	70.4°	60.0°
H22	C13	C14	C15	54.7°	60.0°
H22	C13	C14	H13	70.6°	60.0°
H22	C13	C14	H23	179.9°	180.0°
C15	C14	H13	H23	118.8°	119.9°
C14	C15	O16	O17	178.7°	180.0°
C14	C15	O16	H16	180.0°	180.0°
H13	C14	C15	O16	156.1°	60.0°
H13	C14	C15	O17	25.2°	120.0°
H23	C14	C15	O16	46.6°	60.0°
H23	C14	C15	O17	134.7°	120.0°
O17	C15	O16	H16	1.3°	0.0°

Definition date:	2002-04-10
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1LCV