NP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1' | C2' | doub | 1.38Å | 1.39Å | Aromatic |
C1' | C6' | sing | 1.38Å | 1.39Å | Aromatic |
C1' | C1 | sing | 1.51Å | 1.53Å | |
C2' | C3' | sing | 1.38Å | 1.39Å | Aromatic |
C2' | H2' | sing | 1.08Å | 1.10Å | |
C3' | C4' | doub | 1.39Å | 1.38Å | Aromatic |
C3' | H3' | sing | 1.08Å | 1.10Å | |
C4' | O4' | sing | 1.36Å | 1.38Å | |
C4' | C5' | sing | 1.39Å | 1.42Å | Aromatic |
O4' | HO4' | sing | 0.97Å | 0.95Å | |
C5' | N5' | sing | 1.48Å | 1.35Å | |
C5' | C6' | doub | 1.38Å | 1.42Å | Aromatic |
N5' | ON1 | sing | 1.22Å | 1.30Å | |
N5' | ON2 | doub | 1.22Å | 1.29Å | |
C6' | H6' | sing | 1.08Å | 1.10Å | |
C1 | C2 | sing | 1.51Å | 1.52Å | |
C1 | H11 | sing | 1.09Å | 1.11Å | |
C1 | H12 | sing | 1.09Å | 1.12Å | |
C2 | O2 | doub | 1.21Å | 1.25Å | |
C2 | N3 | sing | 1.35Å | 1.33Å | |
N3 | C4 | sing | 1.46Å | 1.47Å | |
N3 | HN3 | sing | 0.97Å | 1.02Å | |
C4 | C5 | sing | 1.53Å | 1.56Å | |
C4 | H41 | sing | 1.09Å | 1.11Å | |
C4 | H42 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.53Å | 1.56Å | |
C5 | H51 | sing | 1.09Å | 1.11Å | |
C5 | H52 | sing | 1.09Å | 1.12Å | |
C6 | C7 | sing | 1.53Å | 1.54Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.11Å | |
C7 | C8 | sing | 1.53Å | 1.53Å | |
C7 | H71 | sing | 1.09Å | 1.12Å | |
C7 | H72 | sing | 1.09Å | 1.11Å | |
C8 | C9 | sing | 1.51Å | 1.54Å | |
C8 | H81 | sing | 1.09Å | 1.12Å | |
C8 | H82 | sing | 1.09Å | 1.11Å | |
C9 | O3 | doub | 1.21Å | 1.23Å | |
C9 | O4 | sing | 1.34Å | 1.24Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2' | C1' | C6' | 118.9° | 120.1° |
C2' | C1' | C1 | 119.5° | 119.9° |
C1' | C2' | C3' | 121.4° | 120.0° |
C1' | C2' | H2' | 119.5° | 120.0° |
C6' | C1' | C1 | 121.6° | 120.0° |
C1' | C6' | C5' | 120.7° | 120.1° |
C1' | C6' | H6' | 118.6° | 120.0° |
C1' | C1 | C2 | 106.2° | 109.5° |
C1' | C1 | H11 | 113.4° | 109.4° |
C1' | C1 | H12 | 113.4° | 109.4° |
C3' | C2' | H2' | 119.2° | 120.0° |
C2' | C3' | C4' | 120.6° | 120.0° |
C2' | C3' | H3' | 119.9° | 120.0° |
C4' | C3' | H3' | 119.5° | 120.1° |
C3' | C4' | O4' | 114.0° | 120.1° |
C3' | C4' | C5' | 119.2° | 119.9° |
O4' | C4' | C5' | 126.8° | 120.0° |
C4' | O4' | HO4' | 114.0° | 106.8° |
C4' | C5' | N5' | 117.7° | 120.0° |
C4' | C5' | C6' | 119.2° | 119.9° |
N5' | C5' | C6' | 123.0° | 120.1° |
C5' | N5' | ON1 | 118.8° | 120.0° |
C5' | N5' | ON2 | 125.8° | 120.0° |
C5' | C6' | H6' | 120.6° | 119.9° |
ON1 | N5' | ON2 | 114.5° | 120.0° |
C2 | C1 | H11 | 113.5° | 109.5° |
C2 | C1 | H12 | 113.4° | 109.5° |
C1 | C2 | O2 | 85.8° | 120.0° |
C1 | C2 | N3 | 158.3° | 120.0° |
H11 | C1 | H12 | 97.0° | 109.5° |
O2 | C2 | N3 | 72.5° | 120.0° |
C2 | N3 | C4 | 132.9° | 120.0° |
C2 | N3 | HN3 | 107.3° | 120.0° |
C4 | N3 | HN3 | 119.7° | 120.0° |
N3 | C4 | C5 | 113.3° | 109.5° |
N3 | C4 | H41 | 110.8° | 109.5° |
N3 | C4 | H42 | 110.8° | 109.5° |
C5 | C4 | H41 | 110.8° | 109.5° |
C5 | C4 | H42 | 110.8° | 109.4° |
C4 | C5 | C6 | 121.8° | 109.6° |
C4 | C5 | H51 | 107.8° | 109.5° |
C4 | C5 | H52 | 107.8° | 109.4° |
H41 | C4 | H42 | 99.5° | 109.4° |
C6 | C5 | H51 | 107.8° | 109.5° |
C6 | C5 | H52 | 107.8° | 109.5° |
C5 | C6 | C7 | 121.2° | 109.6° |
C5 | C6 | H61 | 108.1° | 109.4° |
C5 | C6 | H62 | 108.1° | 109.5° |
H51 | C5 | H52 | 102.1° | 109.4° |
C7 | C6 | H61 | 108.0° | 109.5° |
C7 | C6 | H62 | 108.0° | 109.5° |
C6 | C7 | C8 | 118.2° | 109.5° |
C6 | C7 | H71 | 109.1° | 109.5° |
C6 | C7 | H72 | 109.1° | 109.5° |
H61 | C6 | H62 | 101.9° | 109.4° |
C8 | C7 | H71 | 109.0° | 109.4° |
C8 | C7 | H72 | 109.1° | 109.5° |
C7 | C8 | C9 | 117.3° | 109.5° |
C7 | C8 | H81 | 109.4° | 109.4° |
C7 | C8 | H82 | 109.4° | 109.5° |
H71 | C7 | H72 | 100.9° | 109.4° |
C9 | C8 | H81 | 109.4° | 109.4° |
C9 | C8 | H82 | 109.4° | 109.5° |
C8 | C9 | O3 | 118.0° | 120.0° |
C8 | C9 | O4 | 121.9° | 120.0° |
H81 | C8 | H82 | 100.7° | 109.5° |
O3 | C9 | O4 | 120.0° | 119.9° |
C9 | O4 | HO4 | 121.9° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2' | C1' | C6' | C1 | 178.3° | 179.8° |
C1' | C2' | C3' | H2' | 180.0° | 180.0° |
C1' | C2' | C3' | C4' | 1.2° | 0.0° |
C1' | C2' | C3' | H3' | 178.8° | 180.0° |
C2' | C1' | C6' | C5' | 0.2° | 0.5° |
C2' | C1' | C6' | H6' | 179.7° | 180.0° |
C2' | C1' | C1 | C2 | 61.1° | 90.0° |
C2' | C1' | C1 | H11 | 64.2° | 30.0° |
C2' | C1' | C1 | H12 | 173.7° | 150.0° |
C6' | C1' | C2' | C3' | 1.0° | 0.2° |
C6' | C1' | C2' | H2' | 179.0° | 179.8° |
C1' | C6' | C5' | C4' | 1.2° | 0.5° |
C1' | C6' | C5' | N5' | 176.6° | 179.7° |
C1' | C6' | C5' | H6' | 180.0° | 179.4° |
C6' | C1' | C1 | C2 | 117.2° | 90.2° |
C6' | C1' | C1 | H11 | 117.5° | 149.7° |
C6' | C1' | C1 | H12 | 8.0° | 29.7° |
C1 | C1' | C2' | C3' | 177.4° | 180.0° |
C1 | C1' | C2' | H2' | 2.7° | 0.0° |
C1 | C1' | C6' | C5' | 178.5° | 179.7° |
C1 | C1' | C6' | H6' | 1.4° | 0.3° |
C1' | C1 | C2 | H11 | 125.3° | 120.0° |
C1' | C1 | C2 | H12 | 125.2° | 120.0° |
C1' | C1 | H11 | H12 | 119.3° | 120.0° |
C1' | C1 | C2 | O2 | 141.3° | 0.0° |
C1' | C1 | C2 | N3 | 139.1° | 180.0° |
C2' | C3' | C4' | H3' | 180.0° | 180.0° |
C2' | C3' | C4' | O4' | 178.6° | 180.0° |
C2' | C3' | C4' | C5' | 0.3° | 0.0° |
H2' | C2' | C3' | C4' | 178.7° | 180.0° |
H2' | C2' | C3' | H3' | 1.3° | 0.0° |
C3' | C4' | O4' | C5' | 178.8° | 180.0° |
C3' | C4' | O4' | HO4' | 180.0° | 90.0° |
C3' | C4' | C5' | N5' | 177.0° | 180.0° |
C3' | C4' | C5' | C6' | 0.9° | 0.3° |
H3' | C3' | C4' | O4' | 1.4° | 0.0° |
H3' | C3' | C4' | C5' | 179.7° | 180.0° |
O4' | C4' | C5' | N5' | 1.8° | 0.0° |
O4' | C4' | C5' | C6' | 179.6° | 179.7° |
C5' | C4' | O4' | HO4' | 1.2° | 90.0° |
C4' | C5' | N5' | C6' | 177.7° | 179.7° |
C4' | C5' | N5' | ON1 | 177.7° | 0.1° |
C4' | C5' | N5' | ON2 | 14.3° | 180.0° |
C4' | C5' | C6' | H6' | 178.8° | 180.0° |
C5' | N5' | ON1 | ON2 | 169.3° | 179.9° |
N5' | C5' | C6' | H6' | 3.5° | 0.3° |
C6' | C5' | N5' | ON1 | 0.0° | 179.7° |
C6' | C5' | N5' | ON2 | 167.9° | 0.2° |
C2 | C1 | H11 | H12 | 119.4° | 120.1° |
C1 | C2 | O2 | N3 | 179.1° | 180.0° |
C1 | C2 | N3 | C4 | 176.6° | 180.0° |
C1 | C2 | N3 | HN3 | 3.4° | 0.0° |
H11 | C1 | C2 | O2 | 16.1° | 120.0° |
H11 | C1 | C2 | N3 | 13.8° | 60.0° |
H12 | C1 | C2 | O2 | 93.4° | 120.0° |
H12 | C1 | C2 | N3 | 95.7° | 60.0° |
O2 | C2 | N3 | C4 | 179.0° | 0.0° |
O2 | C2 | N3 | HN3 | 1.0° | 180.0° |
C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
C2 | N3 | C4 | C5 | 75.1° | 180.0° |
C2 | N3 | C4 | H41 | 159.6° | 59.9° |
C2 | N3 | C4 | H42 | 50.1° | 60.0° |
N3 | C4 | C5 | H41 | 125.3° | 120.1° |
N3 | C4 | C5 | H42 | 125.2° | 120.0° |
N3 | C4 | H41 | H42 | 116.7° | 120.0° |
N3 | C4 | C5 | C6 | 46.8° | 180.0° |
N3 | C4 | C5 | H51 | 78.4° | 59.9° |
N3 | C4 | C5 | H52 | 172.1° | 60.0° |
HN3 | N3 | C4 | C5 | 104.9° | 0.0° |
HN3 | N3 | C4 | H41 | 20.4° | 120.1° |
HN3 | N3 | C4 | H42 | 129.9° | 120.0° |
C5 | C4 | H41 | H42 | 116.7° | 119.9° |
C4 | C5 | C6 | H51 | 125.3° | 120.0° |
C4 | C5 | C6 | H52 | 125.2° | 120.0° |
C4 | C5 | H51 | H52 | 113.4° | 119.9° |
C4 | C5 | C6 | C7 | 61.3° | 180.0° |
C4 | C5 | C6 | H61 | 63.9° | 60.0° |
C4 | C5 | C6 | H62 | 173.5° | 59.9° |
H41 | C4 | C5 | C6 | 172.1° | 60.0° |
H41 | C4 | C5 | H51 | 46.9° | 180.0° |
H41 | C4 | C5 | H52 | 62.7° | 60.1° |
H42 | C4 | C5 | C6 | 78.4° | 59.9° |
H42 | C4 | C5 | H51 | 156.4° | 60.1° |
H42 | C4 | C5 | H52 | 46.8° | 180.0° |
C6 | C5 | H51 | H52 | 113.4° | 120.0° |
C5 | C6 | C7 | H61 | 125.2° | 120.0° |
C5 | C6 | C7 | H62 | 125.3° | 120.1° |
C5 | C6 | H61 | H62 | 113.7° | 119.9° |
C5 | C6 | C7 | C8 | 83.7° | 180.0° |
C5 | C6 | C7 | H71 | 41.6° | 60.0° |
C5 | C6 | C7 | H72 | 151.0° | 60.0° |
H51 | C5 | C6 | C7 | 173.4° | 60.0° |
H51 | C5 | C6 | H61 | 61.4° | 180.0° |
H51 | C5 | C6 | H62 | 48.2° | 60.1° |
H52 | C5 | C6 | C7 | 64.0° | 59.9° |
H52 | C5 | C6 | H61 | 170.8° | 60.1° |
H52 | C5 | C6 | H62 | 61.3° | 179.9° |
C7 | C6 | H61 | H62 | 113.6° | 120.0° |
C6 | C7 | C8 | H71 | 125.3° | 120.0° |
C6 | C7 | C8 | H72 | 125.3° | 120.1° |
C6 | C7 | H71 | H72 | 114.8° | 120.0° |
C6 | C7 | C8 | C9 | 88.7° | 180.0° |
C6 | C7 | C8 | H81 | 146.0° | 60.0° |
C6 | C7 | C8 | H82 | 36.6° | 59.9° |
H61 | C6 | C7 | C8 | 151.1° | 60.0° |
H61 | C6 | C7 | H71 | 83.7° | 180.0° |
H61 | C6 | C7 | H72 | 25.8° | 60.0° |
H62 | C6 | C7 | C8 | 41.6° | 59.9° |
H62 | C6 | C7 | H71 | 166.9° | 60.1° |
H62 | C6 | C7 | H72 | 83.7° | 179.9° |
C8 | C7 | H71 | H72 | 114.8° | 119.9° |
C7 | C8 | C9 | H81 | 125.3° | 119.9° |
C7 | C8 | C9 | H82 | 125.3° | 120.1° |
C7 | C8 | H81 | H82 | 115.1° | 120.0° |
C7 | C8 | C9 | O3 | 135.1° | 0.1° |
C7 | C8 | C9 | O4 | 47.9° | 180.0° |
H71 | C7 | C8 | C9 | 36.6° | 60.0° |
H71 | C7 | C8 | H81 | 88.6° | 179.9° |
H71 | C7 | C8 | H82 | 161.9° | 60.1° |
H72 | C7 | C8 | C9 | 146.0° | 59.9° |
H72 | C7 | C8 | H81 | 20.7° | 60.0° |
H72 | C7 | C8 | H82 | 88.7° | 180.0° |
C9 | C8 | H81 | H82 | 115.1° | 120.0° |
C8 | C9 | O3 | O4 | 177.0° | 180.0° |
C8 | C9 | O4 | HO4 | 180.0° | 179.9° |
H81 | C8 | C9 | O3 | 9.9° | 120.0° |
H81 | C8 | C9 | O4 | 173.2° | 60.1° |
H82 | C8 | C9 | O3 | 99.6° | 120.0° |
H82 | C8 | C9 | O4 | 77.4° | 59.9° |
O3 | C9 | O4 | HO4 | 3.1° | 0.0° |