JNB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3' | C3' | sing | 1.43Å | 1.44Å | |
| O4' | C4' | sing | 1.43Å | 1.44Å | |
| C3' | C4' | sing | 1.53Å | 1.53Å | |
| C3' | C2' | sing | 1.53Å | 1.53Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| O2' | C2' | sing | 1.43Å | 1.44Å | |
| C2' | C1' | sing | 1.53Å | 1.52Å | |
| O6' | C6' | sing | 1.43Å | 1.43Å | |
| C5' | C6' | sing | 1.53Å | 1.53Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C1' | O5' | sing | 1.43Å | 1.43Å | |
| C1' | N1 | sing | 1.47Å | 1.45Å | |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | C3 | sing | 1.48Å | 1.51Å | |
| C4 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C9 | sing | 1.48Å | 1.49Å | |
| C10 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C1' | H6 | sing | 1.09Å | 1.10Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C3' | H8 | sing | 1.09Å | 1.10Å | |
| C4' | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C6' | H11 | sing | 1.09Å | 1.10Å | |
| C6' | H12 | sing | 1.09Å | 1.10Å | |
| O6' | H13 | sing | 0.97Å | 0.95Å | |
| O4' | H14 | sing | 0.97Å | 0.95Å | |
| O3' | H15 | sing | 0.97Å | 0.95Å | |
| O2' | H16 | sing | 0.97Å | 0.95Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C13 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C11 | H20 | sing | 1.08Å | 1.08Å | |
| C10 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C4' | 109.2° | 109.5° |
| O3' | C3' | C2' | 111.1° | 109.5° |
| O3' | C3' | H8 | 109.2° | 109.6° |
| C3' | O3' | H15 | 109.5° | 114.0° |
| O4' | C4' | C3' | 107.9° | 109.5° |
| O4' | C4' | C5' | 109.5° | 109.5° |
| O4' | C4' | H9 | 109.9° | 109.6° |
| C4' | O4' | H14 | 109.5° | 114.0° |
| C4' | C3' | C2' | 111.2° | 109.0° |
| C3' | C4' | C5' | 112.5° | 109.1° |
| C4' | C3' | H8 | 108.0° | 109.6° |
| C3' | C4' | H9 | 108.6° | 109.6° |
| C3' | C2' | O2' | 112.2° | 109.5° |
| C3' | C2' | C1' | 109.3° | 109.1° |
| C3' | C2' | H7 | 108.3° | 109.5° |
| C2' | C3' | H8 | 107.9° | 109.6° |
| C4' | C5' | C6' | 112.9° | 109.4° |
| C4' | C5' | O5' | 111.3° | 109.4° |
| C5' | C4' | H9 | 108.4° | 109.6° |
| C4' | C5' | H10 | 107.1° | 109.5° |
| O2' | C2' | C1' | 108.9° | 109.5° |
| O2' | C2' | H7 | 109.6° | 109.5° |
| C2' | O2' | H16 | 109.5° | 114.0° |
| C2' | C1' | O5' | 109.7° | 109.4° |
| C2' | C1' | N1 | 109.7° | 109.5° |
| C2' | C1' | H6 | 108.4° | 109.5° |
| C1' | C2' | H7 | 108.4° | 109.6° |
| O6' | C6' | C5' | 111.5° | 109.4° |
| O6' | C6' | H11 | 109.0° | 109.5° |
| O6' | C6' | H12 | 109.0° | 109.4° |
| C6' | O6' | H13 | 109.5° | 114.0° |
| C6' | C5' | O5' | 109.7° | 109.4° |
| C6' | C5' | H10 | 107.2° | 109.5° |
| C5' | C6' | H11 | 109.0° | 109.5° |
| C5' | C6' | H12 | 109.0° | 109.5° |
| C5' | O5' | C1' | 111.4° | 114.1° |
| O5' | C5' | H10 | 108.4° | 109.5° |
| O5' | C1' | N1 | 110.1° | 109.5° |
| O5' | C1' | H6 | 109.6° | 109.5° |
| C1' | N1 | C2 | 122.9° | 120.0° |
| C1' | N1 | H4 | 118.6° | 120.0° |
| N1 | C1' | H6 | 109.3° | 109.4° |
| N1 | C2 | O2 | 121.5° | 120.1° |
| N1 | C2 | C3 | 120.1° | 120.0° |
| C2 | N1 | H4 | 118.5° | 120.0° |
| O2 | C2 | C3 | 118.3° | 120.0° |
| C2 | C3 | C4 | 121.4° | 120.0° |
| C2 | C3 | C8 | 119.9° | 120.0° |
| C3 | C4 | C5 | 120.6° | 120.0° |
| C4 | C3 | C8 | 118.7° | 119.9° |
| C3 | C4 | H1 | 119.7° | 120.0° |
| C4 | C5 | C6 | 120.3° | 120.0° |
| C5 | C4 | H1 | 119.7° | 120.0° |
| C4 | C5 | H2 | 119.9° | 120.0° |
| C3 | C8 | C7 | 120.7° | 120.0° |
| C3 | C8 | H5 | 119.6° | 120.0° |
| C5 | C6 | C7 | 119.3° | 120.1° |
| C5 | C6 | C9 | 119.8° | 120.0° |
| C6 | C5 | H2 | 119.9° | 120.0° |
| C8 | C7 | C6 | 120.4° | 120.0° |
| C8 | C7 | H3 | 119.8° | 120.0° |
| C7 | C8 | H5 | 119.7° | 120.0° |
| C7 | C6 | C9 | 120.9° | 120.0° |
| C6 | C7 | H3 | 119.8° | 120.0° |
| C6 | C9 | C10 | 120.0° | 120.1° |
| C6 | C9 | C14 | 120.2° | 120.1° |
| C9 | C10 | C11 | 120.1° | 119.9° |
| C10 | C9 | C14 | 119.8° | 119.7° |
| C9 | C10 | H21 | 120.0° | 120.1° |
| C10 | C11 | C12 | 120.1° | 120.1° |
| C10 | C11 | H20 | 120.0° | 120.0° |
| C11 | C10 | H21 | 119.9° | 120.1° |
| C9 | C14 | C13 | 119.9° | 119.8° |
| C9 | C14 | H17 | 120.0° | 120.1° |
| C11 | C12 | C13 | 120.1° | 120.3° |
| C11 | C12 | H19 | 119.9° | 119.8° |
| C12 | C11 | H20 | 120.0° | 119.9° |
| C14 | C13 | C12 | 120.0° | 120.2° |
| C13 | C14 | H17 | 120.0° | 120.1° |
| C14 | C13 | H18 | 120.0° | 119.9° |
| C12 | C13 | H18 | 120.0° | 119.9° |
| C13 | C12 | H19 | 119.9° | 119.9° |
| H11 | C6' | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C4' | O4' | 69.9° | 63.3° |
| O3' | C3' | C4' | C2' | 123.0° | 119.8° |
| O3' | C3' | C4' | H8 | 118.7° | 120.3° |
| O3' | C3' | C2' | H8 | 119.7° | 120.3° |
| O3' | C3' | C4' | C5' | 169.2° | 176.9° |
| O3' | C3' | C2' | O2' | 65.8° | 63.2° |
| O3' | C3' | C2' | C1' | 173.2° | 176.8° |
| O3' | C3' | C2' | H7 | 55.3° | 56.9° |
| O3' | C3' | C4' | H9 | 49.2° | 56.9° |
| O4' | C4' | C3' | C5' | 120.9° | 119.9° |
| O4' | C4' | C3' | H9 | 119.1° | 120.2° |
| O4' | C4' | C3' | C2' | 167.1° | 176.9° |
| O4' | C4' | C5' | H9 | 119.9° | 120.2° |
| O4' | C4' | C5' | C6' | 66.6° | 62.6° |
| O4' | C4' | C5' | O5' | 169.6° | 177.5° |
| O4' | C4' | C3' | H8 | 48.8° | 57.0° |
| O4' | C4' | C5' | H10 | 51.3° | 57.5° |
| C4' | C3' | C2' | H8 | 118.3° | 119.9° |
| C3' | C4' | C5' | H9 | 120.1° | 120.0° |
| C4' | C3' | C2' | O2' | 172.2° | 176.9° |
| C4' | C3' | C2' | C1' | 51.3° | 57.0° |
| C3' | C4' | C5' | C6' | 173.4° | 177.6° |
| C3' | C4' | C5' | O5' | 49.6° | 57.7° |
| C4' | C3' | C2' | H7 | 66.6° | 62.9° |
| C3' | C4' | C5' | H10 | 68.7° | 62.4° |
| C3' | C4' | O4' | H14 | 180.0° | 60.1° |
| C4' | C3' | O3' | H15 | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 46.1° | 57.1° |
| C3' | C2' | O2' | C1' | 121.1° | 119.7° |
| C3' | C2' | O2' | H7 | 120.4° | 120.1° |
| C3' | C2' | C1' | H7 | 117.9° | 119.9° |
| C3' | C2' | C1' | O5' | 61.1° | 57.7° |
| C3' | C2' | C1' | N1 | 177.8° | 177.6° |
| C3' | C2' | C1' | H6 | 58.5° | 62.4° |
| C2' | C3' | C4' | H9 | 73.8° | 62.9° |
| C2' | C3' | O3' | H15 | 56.9° | 60.5° |
| C3' | C2' | O2' | H16 | 180.0° | 179.7° |
| C4' | C5' | C6' | O6' | 51.9° | 175.0° |
| C4' | C5' | C6' | O5' | 124.7° | 119.9° |
| C4' | C5' | C6' | H10 | 117.8° | 120.0° |
| C4' | C5' | O5' | H10 | 117.5° | 120.1° |
| C4' | C5' | O5' | C1' | 59.8° | 61.2° |
| C5' | C4' | C3' | H8 | 72.2° | 62.9° |
| C4' | C5' | C6' | H11 | 68.4° | 55.1° |
| C4' | C5' | C6' | H12 | 172.2° | 65.0° |
| C5' | C4' | O4' | H14 | 57.3° | 179.7° |
| O2' | C2' | C1' | H7 | 119.2° | 120.2° |
| O2' | C2' | C1' | O5' | 176.1° | 177.6° |
| O2' | C2' | C1' | N1 | 55.0° | 62.5° |
| O2' | C2' | C1' | H6 | 64.3° | 57.5° |
| O2' | C2' | C3' | H8 | 53.9° | 57.0° |
| C2' | C1' | O5' | C5' | 66.4° | 61.2° |
| C2' | C1' | O5' | N1 | 120.8° | 120.0° |
| C2' | C1' | O5' | H6 | 118.8° | 120.1° |
| C2' | C1' | N1 | H6 | 118.7° | 120.1° |
| C2' | C1' | N1 | C2 | 149.3° | 145.1° |
| C2' | C1' | N1 | H4 | 30.7° | 35.0° |
| C1' | C2' | C3' | H8 | 67.0° | 62.9° |
| C1' | C2' | O2' | H16 | 58.9° | 60.0° |
| O6' | C6' | C5' | H11 | 120.3° | 120.0° |
| O6' | C6' | C5' | H12 | 120.3° | 120.0° |
| O6' | C6' | C5' | O5' | 72.8° | 65.1° |
| O6' | C6' | C5' | H10 | 169.7° | 55.0° |
| O6' | C6' | H11 | H12 | 119.1° | 120.0° |
| C6' | C5' | O5' | H10 | 116.8° | 120.0° |
| C6' | C5' | O5' | C1' | 174.6° | 178.9° |
| C6' | C5' | C4' | H9 | 53.3° | 57.6° |
| C5' | C6' | H11 | H12 | 119.1° | 120.1° |
| C5' | C6' | O6' | H13 | 180.0° | 180.0° |
| C5' | O5' | C1' | N1 | 172.8° | 178.9° |
| C5' | O5' | C1' | H6 | 52.5° | 58.9° |
| O5' | C5' | C4' | H9 | 70.5° | 62.3° |
| O5' | C5' | C6' | H11 | 166.9° | 175.0° |
| O5' | C5' | C6' | H12 | 47.5° | 54.9° |
| O5' | C1' | N1 | H6 | 120.5° | 120.0° |
| O5' | C1' | N1 | C2 | 89.9° | 95.0° |
| O5' | C1' | N1 | H4 | 90.2° | 85.0° |
| O5' | C1' | C2' | H7 | 56.8° | 62.3° |
| C1' | O5' | C5' | H10 | 57.7° | 58.9° |
| C1' | N1 | C2 | H4 | 180.0° | 179.9° |
| C1' | N1 | C2 | O2 | 3.9° | 0.0° |
| C1' | N1 | C2 | C3 | 174.7° | 179.7° |
| N1 | C1' | C2' | H7 | 64.3° | 57.7° |
| N1 | C2 | O2 | C3 | 178.6° | 179.8° |
| N1 | C2 | C3 | C4 | 21.9° | 0.5° |
| N1 | C2 | C3 | C8 | 158.7° | 179.7° |
| C2 | N1 | C1' | H6 | 30.6° | 25.0° |
| O2 | C2 | C3 | C4 | 156.8° | 179.7° |
| O2 | C2 | C3 | C8 | 22.6° | 0.0° |
| O2 | C2 | N1 | H4 | 176.0° | 180.0° |
| C2 | C3 | C4 | C8 | 179.4° | 179.7° |
| C2 | C3 | C4 | C5 | 180.0° | 180.0° |
| C2 | C3 | C8 | C7 | 179.9° | 179.7° |
| C2 | C3 | C4 | H1 | 0.0° | 0.0° |
| C3 | C2 | N1 | H4 | 5.4° | 0.2° |
| C2 | C3 | C8 | H5 | 0.1° | 0.0° |
| C3 | C4 | C5 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C3 | C8 | C7 | 0.5° | 0.6° |
| C3 | C4 | C5 | H2 | 179.9° | 180.0° |
| C4 | C3 | C8 | H5 | 179.5° | 179.7° |
| C5 | C4 | C3 | C8 | 0.6° | 0.3° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.4° | 0.0° |
| C4 | C5 | C6 | C9 | 179.6° | 180.0° |
| C3 | C8 | C7 | H5 | 180.0° | 179.7° |
| C3 | C8 | C7 | C6 | 0.1° | 0.6° |
| C8 | C3 | C4 | H1 | 179.5° | 179.8° |
| C3 | C8 | C7 | H3 | 179.9° | 179.7° |
| C5 | C6 | C7 | C8 | 0.5° | 0.3° |
| C5 | C6 | C7 | C9 | 179.1° | 180.0° |
| C5 | C6 | C9 | C10 | 42.4° | 0.3° |
| C5 | C6 | C9 | C14 | 137.3° | 180.0° |
| C6 | C5 | C4 | H1 | 179.9° | 180.0° |
| C5 | C6 | C7 | H3 | 179.5° | 180.0° |
| C8 | C7 | C6 | H3 | 180.0° | 179.7° |
| C8 | C7 | C6 | C9 | 179.7° | 179.7° |
| C7 | C6 | C9 | C10 | 138.5° | 179.7° |
| C7 | C6 | C9 | C14 | 41.8° | 0.0° |
| C7 | C6 | C5 | H2 | 179.6° | 180.0° |
| C6 | C7 | C8 | H5 | 179.9° | 179.7° |
| C6 | C9 | C10 | C14 | 179.7° | 179.7° |
| C6 | C9 | C10 | C11 | 179.5° | 179.7° |
| C6 | C9 | C14 | C13 | 179.8° | 180.0° |
| C9 | C6 | C5 | H2 | 0.4° | 0.0° |
| C9 | C6 | C7 | H3 | 0.3° | 0.0° |
| C6 | C9 | C14 | H17 | 0.2° | 0.1° |
| C6 | C9 | C10 | H21 | 0.5° | 0.0° |
| C9 | C10 | C11 | H21 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 0.7° | 0.5° |
| C10 | C9 | C14 | C13 | 0.1° | 0.3° |
| C10 | C9 | C14 | H17 | 179.9° | 179.8° |
| C9 | C10 | C11 | H20 | 179.3° | 179.7° |
| C11 | C10 | C9 | C14 | 0.2° | 0.5° |
| C10 | C11 | C12 | H20 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 0.8° | 0.3° |
| C10 | C11 | C12 | H19 | 179.2° | 179.8° |
| C9 | C14 | C13 | H17 | 180.0° | 180.0° |
| C9 | C14 | C13 | C12 | 0.0° | 0.0° |
| C9 | C14 | C13 | H18 | 179.9° | 180.0° |
| C14 | C9 | C10 | H21 | 179.8° | 179.7° |
| C11 | C12 | C13 | C14 | 0.5° | 0.0° |
| C11 | C12 | C13 | H19 | 180.0° | 179.9° |
| C11 | C12 | C13 | H18 | 179.5° | 180.0° |
| C12 | C11 | C10 | H21 | 179.3° | 179.7° |
| C14 | C13 | C12 | H18 | 180.0° | 180.0° |
| C14 | C13 | C12 | H19 | 179.5° | 180.0° |
| C12 | C13 | C14 | H17 | 179.9° | 180.0° |
| C13 | C12 | C11 | H20 | 179.2° | 180.0° |
| H1 | C4 | C5 | H2 | 0.1° | 0.1° |
| H3 | C7 | C8 | H5 | 0.1° | 0.0° |
| H4 | N1 | C1' | H6 | 149.4° | 155.0° |
| H6 | C1' | C2' | H7 | 176.4° | 177.7° |
| H7 | C2' | C3' | H8 | 175.0° | 177.2° |
| H7 | C2' | O2' | H16 | 59.6° | 60.2° |
| H8 | C3' | C4' | H9 | 167.9° | 177.2° |
| H8 | C3' | O3' | H15 | 62.0° | 59.7° |
| H9 | C4' | C5' | H10 | 171.2° | 177.7° |
| H9 | C4' | O4' | H14 | 61.7° | 60.1° |
| H10 | C5' | C6' | H11 | 49.4° | 65.0° |
| H10 | C5' | C6' | H12 | 70.0° | 175.0° |
| H11 | C6' | O6' | H13 | 59.7° | 60.0° |
| H12 | C6' | O6' | H13 | 59.7° | 60.0° |
| H17 | C14 | C13 | H18 | 0.1° | 0.1° |
| H18 | C13 | C12 | H19 | 0.5° | 0.1° |
| H19 | C12 | C11 | H20 | 0.8° | 0.1° |
| H20 | C11 | C10 | H21 | 0.7° | 0.0° |
