5OJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | N1 | sing | 1.42Å | 1.33Å | |
| O1 | C1 | doub | 1.22Å | 1.21Å | |
| N1 | C1 | sing | 1.35Å | 1.45Å | |
| C1 | C2 | sing | 1.48Å | 1.49Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| O4 | C7 | doub | 1.21Å | 1.22Å | |
| C7 | N2 | sing | 1.35Å | 1.43Å | |
| N2 | C8 | sing | 1.40Å | 1.48Å | |
| N2 | C14 | sing | 1.46Å | 1.48Å | |
| C8 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.57Å | |
| C15 | O3 | sing | 1.43Å | 1.40Å | |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| O3 | H5 | sing | 0.97Å | 0.95Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| N1 | H17 | sing | 0.97Å | 1.00Å | |
| O2 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | N1 | C1 | 115.7° | 120.0° |
| O2 | N1 | H17 | 122.2° | 120.0° |
| N1 | O2 | H18 | 109.5° | 114.0° |
| O1 | C1 | N1 | 120.6° | 120.0° |
| O1 | C1 | C2 | 124.8° | 120.0° |
| N1 | C1 | C2 | 114.6° | 120.0° |
| C1 | N1 | H17 | 122.2° | 119.9° |
| C1 | C2 | C3 | 123.8° | 120.2° |
| C1 | C2 | C17 | 119.7° | 120.1° |
| C3 | C2 | C17 | 116.5° | 119.7° |
| C2 | C3 | C4 | 121.4° | 119.8° |
| C2 | C3 | H14 | 119.3° | 120.1° |
| C2 | C17 | C16 | 121.4° | 119.8° |
| C2 | C17 | H16 | 119.3° | 120.1° |
| C3 | C4 | C5 | 122.9° | 120.2° |
| C3 | C4 | H13 | 118.6° | 119.9° |
| C4 | C3 | H14 | 119.3° | 120.1° |
| C17 | C16 | C5 | 122.8° | 120.1° |
| C17 | C16 | H15 | 118.6° | 119.9° |
| C16 | C17 | H16 | 119.3° | 120.1° |
| C4 | C5 | C16 | 115.0° | 120.3° |
| C4 | C5 | C6 | 122.4° | 119.9° |
| C5 | C4 | H13 | 118.5° | 119.9° |
| C16 | C5 | C6 | 122.6° | 119.8° |
| C5 | C16 | H15 | 118.6° | 119.9° |
| C5 | C6 | C7 | 117.1° | 109.5° |
| C5 | C6 | H11 | 107.5° | 109.5° |
| C5 | C6 | H12 | 107.5° | 109.5° |
| C6 | C7 | O4 | 118.8° | 120.0° |
| C6 | C7 | N2 | 124.1° | 120.0° |
| C7 | C6 | H11 | 107.5° | 109.5° |
| C7 | C6 | H12 | 107.6° | 109.5° |
| O4 | C7 | N2 | 117.1° | 120.0° |
| C7 | N2 | C8 | 121.2° | 120.0° |
| C7 | N2 | C14 | 122.3° | 120.0° |
| C8 | N2 | C14 | 116.5° | 120.0° |
| N2 | C8 | C9 | 120.6° | 120.1° |
| N2 | C8 | C13 | 123.1° | 120.1° |
| N2 | C14 | C15 | 113.0° | 109.5° |
| N2 | C14 | H1 | 108.6° | 109.5° |
| N2 | C14 | H2 | 108.6° | 109.5° |
| C9 | C8 | C13 | 116.3° | 119.8° |
| C8 | C9 | C10 | 121.8° | 120.0° |
| C8 | C9 | H10 | 119.1° | 120.0° |
| C8 | C13 | C12 | 121.4° | 120.0° |
| C8 | C13 | H6 | 119.3° | 120.0° |
| C9 | C10 | C11 | 121.3° | 120.0° |
| C9 | C10 | H9 | 119.4° | 120.0° |
| C10 | C9 | H10 | 119.1° | 120.0° |
| C13 | C12 | C11 | 121.3° | 120.0° |
| C12 | C13 | H6 | 119.3° | 120.0° |
| C13 | C12 | H7 | 119.4° | 120.0° |
| C14 | C15 | O3 | 107.0° | 109.5° |
| C15 | C14 | H1 | 108.6° | 109.5° |
| C15 | C14 | H2 | 108.6° | 109.4° |
| C14 | C15 | H3 | 110.1° | 109.5° |
| C14 | C15 | H4 | 110.1° | 109.5° |
| O3 | C15 | H3 | 110.1° | 109.4° |
| O3 | C15 | H4 | 110.1° | 109.4° |
| C15 | O3 | H5 | 109.5° | 114.1° |
| C12 | C11 | C10 | 118.0° | 120.1° |
| C11 | C12 | H7 | 119.4° | 119.9° |
| C12 | C11 | H8 | 121.0° | 119.9° |
| C10 | C11 | H8 | 121.0° | 119.9° |
| C11 | C10 | H9 | 119.4° | 119.9° |
| H1 | C14 | H2 | 109.4° | 109.4° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H11 | C6 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | N1 | C1 | O1 | 1.7° | 0.1° |
| O2 | N1 | C1 | H17 | 180.0° | 180.0° |
| O2 | N1 | C1 | C2 | 179.3° | 179.9° |
| O1 | C1 | N1 | C2 | 177.5° | 179.9° |
| O1 | C1 | C2 | C3 | 20.9° | 0.1° |
| O1 | C1 | C2 | C17 | 157.7° | 179.8° |
| O1 | C1 | N1 | H17 | 178.3° | 179.9° |
| N1 | C1 | C2 | C3 | 161.7° | 180.0° |
| N1 | C1 | C2 | C17 | 19.8° | 0.4° |
| C1 | N1 | O2 | H18 | 0.8° | 180.0° |
| C1 | C2 | C3 | C17 | 178.6° | 179.7° |
| C1 | C2 | C3 | C4 | 178.7° | 179.9° |
| C1 | C2 | C17 | C16 | 178.8° | 180.0° |
| C1 | C2 | C3 | H14 | 1.3° | 0.1° |
| C1 | C2 | C17 | H16 | 1.2° | 0.0° |
| C2 | C1 | N1 | H17 | 0.7° | 0.1° |
| C2 | C3 | C4 | H14 | 180.0° | 180.0° |
| C3 | C2 | C17 | C16 | 0.1° | 0.3° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | H13 | 180.0° | 179.9° |
| C3 | C2 | C17 | H16 | 179.9° | 179.7° |
| C17 | C2 | C3 | C4 | 0.0° | 0.3° |
| C2 | C17 | C16 | H16 | 180.0° | 180.0° |
| C2 | C17 | C16 | C5 | 0.2° | 0.0° |
| C17 | C2 | C3 | H14 | 179.9° | 179.8° |
| C2 | C17 | C16 | H15 | 179.9° | 179.9° |
| C3 | C4 | C5 | H13 | 180.0° | 179.9° |
| C3 | C4 | C5 | C16 | 0.0° | 0.3° |
| C3 | C4 | C5 | C6 | 179.9° | 180.0° |
| C17 | C16 | C5 | C4 | 0.1° | 0.3° |
| C17 | C16 | C5 | H15 | 180.0° | 180.0° |
| C17 | C16 | C5 | C6 | 179.9° | 180.0° |
| C4 | C5 | C16 | C6 | 179.8° | 179.7° |
| C4 | C5 | C6 | C7 | 131.7° | 90.0° |
| C4 | C5 | C6 | H11 | 107.2° | 30.0° |
| C4 | C5 | C6 | H12 | 10.6° | 150.0° |
| C5 | C4 | C3 | H14 | 180.0° | 179.9° |
| C4 | C5 | C16 | H15 | 179.9° | 179.8° |
| C16 | C5 | C6 | C7 | 48.1° | 90.3° |
| C16 | C5 | C6 | H11 | 73.0° | 149.7° |
| C16 | C5 | C6 | H12 | 169.2° | 29.7° |
| C16 | C5 | C4 | H13 | 180.0° | 179.8° |
| C5 | C16 | C17 | H16 | 179.8° | 180.0° |
| C5 | C6 | C7 | H11 | 121.1° | 120.0° |
| C5 | C6 | C7 | H12 | 121.1° | 120.0° |
| C5 | C6 | C7 | O4 | 24.5° | 0.1° |
| C5 | C6 | C7 | N2 | 155.2° | 179.8° |
| C5 | C6 | H11 | H12 | 116.5° | 120.0° |
| C6 | C5 | C4 | H13 | 0.2° | 0.1° |
| C6 | C5 | C16 | H15 | 0.1° | 0.1° |
| C6 | C7 | O4 | N2 | 179.7° | 179.8° |
| C6 | C7 | N2 | C8 | 0.0° | 175.5° |
| C6 | C7 | N2 | C14 | 179.6° | 4.5° |
| C7 | C6 | H11 | H12 | 116.6° | 120.0° |
| O4 | C7 | N2 | C8 | 179.7° | 4.7° |
| O4 | C7 | N2 | C14 | 0.0° | 175.3° |
| O4 | C7 | C6 | H11 | 145.6° | 120.0° |
| O4 | C7 | C6 | H12 | 96.6° | 120.1° |
| C7 | N2 | C8 | C14 | 179.6° | 180.0° |
| C7 | N2 | C8 | C9 | 112.9° | 112.6° |
| C7 | N2 | C8 | C13 | 67.7° | 67.2° |
| C7 | N2 | C14 | C15 | 79.0° | 90.0° |
| C7 | N2 | C14 | H1 | 160.5° | 149.9° |
| C7 | N2 | C14 | H2 | 41.6° | 29.9° |
| N2 | C7 | C6 | H11 | 34.1° | 60.2° |
| N2 | C7 | C6 | H12 | 83.7° | 59.8° |
| N2 | C8 | C9 | C13 | 179.4° | 179.7° |
| N2 | C8 | C9 | C10 | 179.5° | 179.7° |
| N2 | C8 | C13 | C12 | 179.8° | 180.0° |
| C8 | N2 | C14 | C15 | 100.7° | 90.0° |
| C8 | N2 | C14 | H1 | 19.9° | 30.0° |
| C8 | N2 | C14 | H2 | 138.8° | 150.0° |
| N2 | C8 | C13 | H6 | 0.2° | 0.0° |
| N2 | C8 | C9 | H10 | 0.5° | 0.0° |
| C14 | N2 | C8 | C9 | 66.7° | 67.4° |
| C14 | N2 | C8 | C13 | 112.6° | 112.9° |
| N2 | C14 | C15 | H1 | 120.5° | 120.1° |
| N2 | C14 | C15 | H2 | 120.5° | 120.0° |
| N2 | C14 | C15 | O3 | 176.3° | 65.0° |
| N2 | C14 | H1 | H2 | 118.4° | 120.0° |
| N2 | C14 | C15 | H3 | 56.7° | 175.0° |
| N2 | C14 | C15 | H4 | 64.1° | 55.0° |
| C8 | C9 | C10 | H10 | 180.0° | 179.7° |
| C9 | C8 | C13 | C12 | 0.5° | 0.3° |
| C8 | C9 | C10 | C11 | 0.2° | 0.6° |
| C9 | C8 | C13 | H6 | 179.5° | 179.7° |
| C8 | C9 | C10 | H9 | 179.8° | 179.6° |
| C13 | C8 | C9 | C10 | 0.1° | 0.6° |
| C8 | C13 | C12 | H6 | 180.0° | 180.0° |
| C8 | C13 | C12 | C11 | 0.6° | 0.0° |
| C8 | C13 | C12 | H7 | 179.4° | 180.0° |
| C13 | C8 | C9 | H10 | 179.9° | 179.7° |
| C9 | C10 | C11 | C12 | 0.1° | 0.3° |
| C9 | C10 | C11 | H9 | 180.0° | 179.8° |
| C9 | C10 | C11 | H8 | 179.9° | 179.7° |
| C13 | C12 | C11 | H7 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.3° | 0.0° |
| C13 | C12 | C11 | H8 | 179.7° | 180.0° |
| C14 | C15 | O3 | H3 | 119.6° | 120.1° |
| C14 | C15 | O3 | H4 | 119.6° | 120.0° |
| C15 | C14 | H1 | H2 | 118.4° | 119.9° |
| C14 | C15 | H3 | H4 | 121.2° | 120.1° |
| C14 | C15 | O3 | H5 | 180.0° | 180.0° |
| O3 | C15 | C14 | H1 | 63.1° | 55.1° |
| O3 | C15 | C14 | H2 | 55.8° | 175.0° |
| O3 | C15 | H3 | H4 | 121.1° | 119.9° |
| C12 | C11 | C10 | H8 | 180.0° | 180.0° |
| C11 | C12 | C13 | H6 | 179.4° | 180.0° |
| C12 | C11 | C10 | H9 | 179.9° | 179.9° |
| C10 | C11 | C12 | H7 | 179.7° | 180.0° |
| C11 | C10 | C9 | H10 | 179.8° | 179.7° |
| H1 | C14 | C15 | H3 | 177.3° | 64.9° |
| H1 | C14 | C15 | H4 | 56.5° | 175.0° |
| H2 | C14 | C15 | H3 | 63.8° | 55.0° |
| H2 | C14 | C15 | H4 | 175.4° | 65.0° |
| H3 | C15 | O3 | H5 | 60.4° | 59.9° |
| H4 | C15 | O3 | H5 | 60.4° | 60.0° |
| H6 | C13 | C12 | H7 | 0.6° | 0.1° |
| H7 | C12 | C11 | H8 | 0.3° | 0.0° |
| H8 | C11 | C10 | H9 | 0.1° | 0.1° |
| H9 | C10 | C9 | H10 | 0.2° | 0.1° |
| H13 | C4 | C3 | H14 | 0.0° | 0.0° |
| H15 | C16 | C17 | H16 | 0.1° | 0.1° |
| H17 | N1 | O2 | H18 | 179.2° | 0.0° |
