SK3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	N5	sing	1.47Å	1.47Å
C5	C4	sing	1.55Å	1.53Å
C5	C1	sing	1.55Å	1.52Å
C5	H5	sing	1.09Å	1.10Å
N5	C6	sing	1.47Å	1.47Å
N5	HN5	sing	1.01Å	1.00Å
C4	O4	sing	1.43Å	1.42Å
C4	C3	sing	1.54Å	1.54Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.42Å
C3	C2	sing	1.54Å	1.53Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C2	O2	sing	1.43Å	1.41Å
C2	C1	sing	1.54Å	1.52Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C1	O1	sing	1.43Å	1.40Å
C1	H1	sing	1.09Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å
C6	C7	sing	1.51Å	1.54Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C7	C12	doub	1.38Å	1.39Å	Aromatic
C7	C8	sing	1.38Å	1.40Å	Aromatic
C12	C11	sing	1.38Å	1.40Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C11	C10	doub	1.38Å	1.40Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
C8	C9	doub	1.38Å	1.42Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C9	C10	sing	1.38Å	1.40Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N5	C5	C4	112.9°	110.9°
N5	C5	C1	111.7°	110.7°
N5	C5	H5	104.9°	110.7°
C5	N5	C6	110.6°	106.7°
C5	N5	HN5	109.1°	106.7°
C4	C5	C1	107.4°	102.8°
C4	C5	H5	109.4°	110.7°
C5	C4	O4	112.9°	110.5°
C5	C4	C3	106.7°	104.2°
C5	C4	H4	109.4°	110.5°
C1	C5	H5	110.6°	110.8°
C5	C1	C2	99.1°	104.2°
C5	C1	O1	115.2°	110.6°
C5	C1	H1	114.4°	110.5°
C6	N5	HN5	109.1°	106.7°
N5	C6	C7	116.3°	109.5°
N5	C6	H61	105.7°	109.4°
N5	C6	H62	107.2°	109.5°
O4	C4	C3	110.3°	110.6°
O4	C4	H4	105.7°	110.4°
C4	O4	HO4	109.5°	106.7°
C3	C4	H4	112.0°	110.5°
C4	C3	O3	113.3°	110.1°
C4	C3	C2	102.2°	106.6°
C4	C3	H3	112.9°	110.0°
O3	C3	C2	112.4°	110.0°
O3	C3	H3	102.7°	110.0°
C3	O3	HO3	109.5°	106.8°
C2	C3	H3	113.8°	110.1°
C3	C2	O2	116.4°	110.1°
C3	C2	C1	107.5°	106.6°
C3	C2	H2	108.4°	110.0°
O2	C2	C1	115.3°	110.1°
O2	C2	H2	99.2°	110.0°
C2	O2	HO2	109.5°	106.8°
C1	C2	H2	109.7°	110.0°
C2	C1	O1	114.1°	110.5°
C2	C1	H1	115.5°	110.4°
O1	C1	H1	99.5°	110.5°
C1	O1	HO1	109.5°	106.8°
C7	C6	H61	105.7°	109.5°
C7	C6	H62	107.3°	109.5°
C6	C7	C12	118.2°	120.0°
C6	C7	C8	108.4°	120.0°
H61	C6	H62	115.0°	109.4°
C12	C7	C8	133.4°	120.0°
C7	C12	C11	112.6°	120.0°
C7	C12	H12	123.7°	120.0°
C7	C8	C9	111.1°	120.0°
C7	C8	H8	124.4°	120.0°
C11	C12	H12	123.7°	120.0°
C12	C11	C10	118.2°	120.0°
C12	C11	H11	120.9°	120.0°
C10	C11	H11	121.0°	120.0°
C11	C10	C9	126.2°	120.0°
C11	C10	H10	116.9°	120.1°
C9	C8	H8	124.4°	120.0°
C8	C9	C10	118.5°	120.0°
C8	C9	H9	120.8°	120.0°
C10	C9	H9	120.7°	120.0°
C9	C10	H10	116.9°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N5	C5	C4	C1	123.6°	118.4°
N5	C5	C4	H5	116.4°	123.3°
N5	C5	C1	H5	116.4°	123.2°
C5	N5	C6	HN5	120.0°	113.8°
N5	C5	C4	O4	17.5°	37.5°
N5	C5	C4	C3	138.8°	156.3°
N5	C5	C4	H4	99.9°	85.0°
N5	C5	C1	C2	158.4°	156.4°
N5	C5	C1	O1	36.2°	37.7°
N5	C5	C1	H1	78.2°	84.9°
C5	N5	C6	C7	179.7°	180.0°
C5	N5	C6	H61	63.4°	60.0°
C5	N5	C6	H62	59.7°	59.9°
C4	C5	C1	H5	119.3°	118.3°
C4	C5	N5	C6	161.2°	91.6°
C4	C5	N5	HN5	78.9°	154.7°
C5	C4	O4	C3	119.2°	114.8°
C5	C4	O4	H4	119.5°	122.5°
C5	C4	C3	H4	119.6°	118.7°
C5	C4	O4	HO4	93.1°	180.0°
C5	C4	C3	O3	110.6°	142.9°
C5	C4	C3	C2	10.6°	23.6°
C5	C4	C3	H3	133.1°	95.8°
C4	C5	C1	C2	34.1°	37.9°
C4	C5	C1	O1	88.1°	80.8°
C4	C5	C1	H1	157.5°	156.5°
C1	C5	N5	C6	77.7°	155.0°
C1	C5	N5	HN5	42.3°	41.2°
C1	C5	C4	O4	106.0°	80.9°
C1	C5	C4	C3	15.3°	37.9°
C1	C5	C4	H4	136.6°	156.6°
C5	C1	C2	C3	42.0°	23.6°
C5	C1	C2	O2	173.5°	142.9°
C5	C1	C2	O1	123.0°	118.8°
C5	C1	C2	H1	122.6°	118.7°
C5	C1	C2	H2	75.6°	95.6°
C5	C1	O1	H1	122.8°	122.7°
C5	C1	O1	HO1	157.7°	176.3°
H5	C5	N5	C6	42.2°	31.8°
H5	C5	N5	HN5	162.1°	82.0°
H5	C5	C4	O4	133.9°	160.8°
H5	C5	C4	C3	104.8°	80.4°
H5	C5	C4	H4	16.5°	38.3°
H5	C5	C1	C2	85.2°	80.4°
H5	C5	C1	O1	152.7°	160.9°
H5	C5	C1	H1	38.2°	38.2°
N5	C6	C7	H61	116.9°	119.9°
N5	C6	C7	H62	120.0°	120.0°
N5	C6	H61	H62	118.0°	119.9°
N5	C6	C7	C12	95.0°	90.0°
N5	C6	C7	C8	83.7°	90.3°
HN5	N5	C6	C7	60.3°	66.2°
HN5	N5	C6	H61	56.6°	173.8°
HN5	N5	C6	H62	179.7°	53.9°
O4	C4	C3	H4	117.5°	122.6°
O4	C4	C3	O3	12.3°	24.2°
O4	C4	C3	C2	133.5°	95.1°
O4	C4	C3	H3	104.0°	145.5°
C3	C4	O4	HO4	26.1°	65.2°
C4	C3	O3	C2	115.2°	117.2°
C4	C3	O3	H3	122.1°	121.4°
C4	C3	C2	H3	122.0°	119.3°
C4	C3	O3	HO3	178.5°	179.3°
C4	C3	C2	O2	164.2°	119.3°
C4	C3	C2	C1	33.3°	0.0°
C4	C3	C2	H2	85.2°	119.2°
H4	C4	O4	HO4	147.3°	57.5°
H4	C4	C3	O3	129.7°	98.4°
H4	C4	C3	C2	109.1°	142.3°
H4	C4	C3	H3	13.5°	22.9°
O3	C3	C2	H3	116.2°	121.4°
O3	C3	C2	O2	42.4°	0.0°
O3	C3	C2	C1	88.5°	119.3°
O3	C3	C2	H2	153.0°	121.5°
C2	C3	O3	HO3	63.2°	62.1°
C3	C2	O2	C1	127.2°	117.2°
C3	C2	O2	H2	115.8°	121.4°
C3	C2	C1	H2	117.6°	119.3°
C3	C2	O2	HO2	167.2°	61.5°
C3	C2	C1	O1	81.0°	95.2°
C3	C2	C1	H1	164.6°	142.3°
H3	C3	O3	HO3	59.4°	59.3°
H3	C3	C2	O2	73.8°	121.4°
H3	C3	C2	C1	155.3°	119.3°
H3	C3	C2	H2	36.8°	0.1°
O2	C2	C1	H2	110.8°	121.4°
O2	C2	C1	O1	50.6°	24.1°
O2	C2	C1	H1	63.8°	98.4°
C1	C2	O2	HO2	40.0°	178.6°
C2	C1	O1	H1	123.5°	122.5°
C2	C1	O1	HO1	44.0°	61.5°
H2	C2	O2	HO2	76.9°	60.0°
H2	C2	C1	O1	161.4°	145.5°
H2	C2	C1	H1	47.0°	23.0°
H1	C1	O1	HO1	79.6°	61.0°
C7	C6	H61	H62	118.1°	120.1°
C6	C7	C12	C8	178.3°	179.7°
C6	C7	C12	C11	179.0°	180.0°
C6	C7	C12	H12	1.1°	0.0°
C6	C7	C8	C9	178.7°	179.8°
C6	C7	C8	H8	1.4°	0.2°
H61	C6	C7	C12	148.1°	30.0°
H61	C6	C7	C8	33.2°	149.8°
H62	C6	C7	C12	25.0°	150.0°
H62	C6	C7	C8	156.3°	29.8°
C7	C12	C11	H12	180.0°	180.0°
C7	C12	C11	C10	0.6°	0.0°
C7	C12	C11	H11	179.4°	179.9°
C12	C7	C8	C9	0.3°	0.5°
C12	C7	C8	H8	179.7°	180.0°
C8	C7	C12	C11	0.7°	0.3°
C8	C7	C12	H12	179.3°	179.8°
C7	C8	C9	H8	180.0°	179.6°
C7	C8	C9	C10	0.2°	0.5°
C7	C8	C9	H9	179.8°	179.7°
C12	C11	C10	H11	180.0°	179.9°
C12	C11	C10	C9	0.3°	0.0°
C12	C11	C10	H10	179.7°	180.0°
H12	C12	C11	C10	179.4°	180.0°
H12	C12	C11	H11	0.6°	0.0°
C11	C10	C9	C8	0.1°	0.2°
C11	C10	C9	H10	180.0°	180.0°
C11	C10	C9	H9	179.8°	180.0°
H11	C11	C10	C9	179.7°	180.0°
H11	C11	C10	H10	0.3°	0.0°
C8	C9	C10	H9	180.0°	179.8°
C8	C9	C10	H10	179.9°	179.8°
H8	C8	C9	C10	179.8°	180.0°
H8	C8	C9	H9	0.2°	0.2°
H9	C9	C10	H10	0.2°	0.0°

Definition date:	2006-01-24
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2F7R