22P
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O5 | C20 | sing | 1.43Å | 1.42Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
O6 | C29 | doub | 1.21Å | 1.24Å | |
N9 | C21 | sing | 1.47Å | 1.48Å | |
N9 | HN9 | sing | 1.01Å | 1.00Å | |
N9 | HN9A | sing | 1.01Å | 1.00Å | |
C20 | C21 | sing | 1.53Å | 1.54Å | |
C20 | C22 | sing | 1.53Å | 1.56Å | |
C20 | C29 | sing | 1.51Å | 1.51Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
C21 | H21A | sing | 1.09Å | 1.10Å | |
C22 | C52 | sing | 1.53Å | 1.56Å | |
C22 | H22 | sing | 1.09Å | 1.10Å | |
C22 | H22A | sing | 1.09Å | 1.10Å | |
C23 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
C23 | C28 | sing | 1.38Å | 1.42Å | Aromatic |
C23 | C52 | sing | 1.51Å | 1.55Å | |
C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
C24 | H24 | sing | 1.08Å | 1.08Å | |
C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
C25 | H25 | sing | 1.08Å | 1.08Å | |
C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
C26 | H26 | sing | 1.08Å | 1.08Å | |
C27 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
C27 | H27 | sing | 1.08Å | 1.08Å | |
C28 | H28 | sing | 1.08Å | 1.08Å | |
C29 | OXT | sing | 1.34Å | 1.43Å | |
C52 | H52 | sing | 1.09Å | 1.10Å | |
C52 | H52A | sing | 1.09Å | 1.10Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C20 | O5 | HO5 | 109.5° | 114.0° |
O5 | C20 | C21 | 106.3° | 109.5° |
O5 | C20 | C22 | 113.6° | 109.5° |
O5 | C20 | C29 | 102.0° | 109.5° |
O6 | C29 | C20 | 125.8° | 120.0° |
O6 | C29 | OXT | 117.2° | 120.0° |
C21 | N9 | HN9 | 109.5° | 111.0° |
C21 | N9 | HN9A | 109.5° | 111.0° |
N9 | C21 | C20 | 111.8° | 109.5° |
N9 | C21 | H21 | 108.7° | 109.4° |
N9 | C21 | H21A | 108.7° | 109.4° |
HN9 | N9 | HN9A | 109.5° | 111.0° |
C21 | C20 | C22 | 110.7° | 109.5° |
C21 | C20 | C29 | 112.9° | 109.5° |
C20 | C21 | H21 | 108.7° | 109.5° |
C20 | C21 | H21A | 108.7° | 109.5° |
C22 | C20 | C29 | 111.1° | 109.5° |
C20 | C22 | C52 | 121.3° | 109.4° |
C20 | C22 | H22 | 105.7° | 109.4° |
C20 | C22 | H22A | 105.7° | 109.5° |
C20 | C29 | OXT | 117.1° | 120.0° |
H21 | C21 | H21A | 110.2° | 109.5° |
C52 | C22 | H22 | 105.7° | 109.5° |
C52 | C22 | H22A | 105.7° | 109.5° |
C22 | C52 | C23 | 117.2° | 109.4° |
C22 | C52 | H52 | 107.0° | 109.5° |
C22 | C52 | H52A | 107.0° | 109.5° |
H22 | C22 | H22A | 113.0° | 109.5° |
C24 | C23 | C28 | 117.3° | 120.1° |
C24 | C23 | C52 | 123.5° | 120.0° |
C23 | C24 | C25 | 121.2° | 120.0° |
C23 | C24 | H24 | 119.4° | 120.0° |
C28 | C23 | C52 | 119.2° | 120.0° |
C23 | C28 | C27 | 121.5° | 120.0° |
C23 | C28 | H28 | 119.2° | 120.1° |
C23 | C52 | H52 | 107.0° | 109.5° |
C23 | C52 | H52A | 107.0° | 109.4° |
C25 | C24 | H24 | 119.4° | 120.0° |
C24 | C25 | C26 | 120.4° | 120.0° |
C24 | C25 | H25 | 119.8° | 120.0° |
C26 | C25 | H25 | 119.8° | 120.0° |
C25 | C26 | C27 | 119.5° | 120.0° |
C25 | C26 | H26 | 120.2° | 120.0° |
C27 | C26 | H26 | 120.2° | 120.0° |
C26 | C27 | C28 | 120.0° | 120.0° |
C26 | C27 | H27 | 120.0° | 120.0° |
C28 | C27 | H27 | 120.0° | 120.0° |
C27 | C28 | H28 | 119.2° | 120.0° |
C29 | OXT | HXT | 109.5° | 117.0° |
H52 | C52 | H52A | 111.9° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5 | C20 | C29 | O6 | 176.3° | 0.0° |
O5 | C20 | C21 | N9 | 62.8° | 60.0° |
O5 | C20 | C21 | C22 | 123.7° | 120.0° |
O5 | C20 | C21 | C29 | 111.0° | 120.0° |
O5 | C20 | C22 | C29 | 114.3° | 120.0° |
O5 | C20 | C21 | H21 | 177.2° | 180.0° |
O5 | C20 | C21 | H21A | 57.2° | 60.0° |
O5 | C20 | C22 | C52 | 6.8° | 65.0° |
O5 | C20 | C22 | H22 | 126.8° | 175.0° |
O5 | C20 | C22 | H22A | 113.2° | 55.0° |
O5 | C20 | C29 | OXT | 3.7° | 180.0° |
HO5 | O5 | C20 | C21 | 180.0° | 60.0° |
HO5 | O5 | C20 | C22 | 58.1° | 60.0° |
HO5 | O5 | C20 | C29 | 61.5° | 180.0° |
O6 | C29 | C20 | C21 | 70.1° | 120.0° |
O6 | C29 | C20 | C22 | 54.9° | 120.0° |
O6 | C29 | C20 | OXT | 180.0° | 180.0° |
O6 | C29 | OXT | HXT | 0.0° | 0.1° |
C21 | N9 | HN9 | HN9A | 120.0° | 124.0° |
N9 | C21 | C20 | H21 | 120.0° | 120.0° |
N9 | C21 | C20 | H21A | 120.0° | 120.0° |
N9 | C21 | C20 | C22 | 173.4° | 180.0° |
N9 | C21 | C20 | C29 | 48.2° | 60.0° |
N9 | C21 | H21 | H21A | 119.0° | 119.9° |
HN9 | N9 | C21 | C20 | 180.0° | 56.0° |
HN9 | N9 | C21 | H21 | 60.0° | 176.1° |
HN9 | N9 | C21 | H21A | 60.0° | 64.0° |
HN9A | N9 | C21 | C20 | 60.0° | 180.0° |
HN9A | N9 | C21 | H21 | 60.0° | 60.0° |
HN9A | N9 | C21 | H21A | 180.0° | 60.0° |
C21 | C20 | C22 | C29 | 126.3° | 120.0° |
C20 | C21 | H21 | H21A | 119.0° | 120.1° |
C21 | C20 | C22 | C52 | 126.2° | 175.0° |
C21 | C20 | C22 | H22 | 113.8° | 55.0° |
C21 | C20 | C22 | H22A | 6.2° | 65.0° |
C21 | C20 | C29 | OXT | 109.9° | 60.0° |
C22 | C20 | C21 | H21 | 53.4° | 60.0° |
C22 | C20 | C21 | H21A | 66.6° | 60.0° |
C20 | C22 | C52 | H22 | 120.0° | 120.0° |
C20 | C22 | C52 | H22A | 120.0° | 120.0° |
C20 | C22 | H22 | H22A | 115.1° | 120.0° |
C20 | C22 | C52 | C23 | 135.2° | 180.0° |
C22 | C20 | C29 | OXT | 125.1° | 60.0° |
C20 | C22 | C52 | H52 | 15.2° | 60.0° |
C20 | C22 | C52 | H52A | 104.9° | 60.0° |
C29 | C20 | C21 | H21 | 71.8° | 60.0° |
C29 | C20 | C21 | H21A | 168.2° | 180.0° |
C29 | C20 | C22 | C52 | 107.5° | 55.0° |
C29 | C20 | C22 | H22 | 12.5° | 65.0° |
C29 | C20 | C22 | H22A | 132.5° | 175.0° |
C20 | C29 | OXT | HXT | 180.0° | 179.9° |
C52 | C22 | H22 | H22A | 115.1° | 120.1° |
C22 | C52 | C23 | C24 | 0.2° | 90.0° |
C22 | C52 | C23 | C28 | 179.6° | 90.3° |
C22 | C52 | C23 | H52 | 120.0° | 120.0° |
C22 | C52 | C23 | H52A | 120.0° | 120.0° |
C22 | C52 | H52 | H52A | 116.8° | 120.1° |
H22 | C22 | C52 | C23 | 104.9° | 60.0° |
H22 | C22 | C52 | H52 | 135.1° | NaN° |
H22 | C22 | C52 | H52A | 15.1° | 60.0° |
H22A | C22 | C52 | C23 | 15.2° | 60.0° |
H22A | C22 | C52 | H52 | 104.8° | 60.0° |
H22A | C22 | C52 | H52A | 135.1° | 180.0° |
C24 | C23 | C28 | C52 | 179.8° | 179.7° |
C23 | C24 | C25 | H24 | 180.0° | 180.0° |
C23 | C24 | C25 | C26 | 0.8° | 0.0° |
C23 | C24 | C25 | H25 | 179.2° | 180.0° |
C24 | C23 | C28 | C27 | 0.4° | 0.0° |
C24 | C23 | C28 | H28 | 179.6° | 180.0° |
C24 | C23 | C52 | H52 | 119.8° | 30.0° |
C24 | C23 | C52 | H52A | 120.2° | 150.0° |
C28 | C23 | C24 | C25 | 0.7° | 0.0° |
C28 | C23 | C24 | H24 | 179.3° | 180.0° |
C23 | C28 | C27 | C26 | 0.2° | 0.1° |
C23 | C28 | C27 | H28 | 180.0° | 179.9° |
C23 | C28 | C27 | H27 | 179.9° | 180.0° |
C28 | C23 | C52 | H52 | 60.4° | 149.7° |
C28 | C23 | C52 | H52A | 59.6° | 29.7° |
C52 | C23 | C24 | C25 | 179.5° | 179.7° |
C52 | C23 | C24 | H24 | 0.5° | 0.3° |
C52 | C23 | C28 | C27 | 179.8° | 179.7° |
C52 | C23 | C28 | H28 | 0.2° | 0.3° |
C23 | C52 | H52 | H52A | 116.8° | 120.0° |
C24 | C25 | C26 | H25 | 180.0° | 180.0° |
C24 | C25 | C26 | C27 | 0.5° | 0.0° |
C24 | C25 | C26 | H26 | 179.5° | 180.0° |
H24 | C24 | C25 | C26 | 179.2° | 180.0° |
H24 | C24 | C25 | H25 | 0.7° | 0.0° |
C25 | C26 | C27 | H26 | 180.0° | 180.0° |
C25 | C26 | C27 | C28 | 0.2° | 0.1° |
C25 | C26 | C27 | H27 | 179.8° | 180.0° |
H25 | C25 | C26 | C27 | 179.5° | 180.0° |
H25 | C25 | C26 | H26 | 0.5° | 0.0° |
C26 | C27 | C28 | H27 | 180.0° | 179.9° |
C26 | C27 | C28 | H28 | 179.8° | 180.0° |
H26 | C26 | C27 | C28 | 179.8° | 179.9° |
H26 | C26 | C27 | H27 | 0.2° | 0.0° |
H27 | C27 | C28 | H28 | 0.2° | 0.1° |