O5J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | O19 | sing | 1.43Å | 1.49Å | |
| O19 | C16 | sing | 1.36Å | 1.42Å | |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C14 | sing | 1.37Å | 1.39Å | Aromatic |
| C18 | C15 | doub | 1.37Å | 1.38Å | Aromatic |
| C14 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | O13 | doub | 1.21Å | 1.22Å | |
| C7 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C2 | sing | 1.35Å | 1.42Å | |
| N1 | C3 | sing | 1.34Å | 1.44Å | |
| O8 | C2 | doub | 1.21Å | 1.22Å | |
| C25 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| O9 | C3 | doub | 1.22Å | 1.24Å | |
| C21 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C4 | sing | 1.52Å | 1.56Å | |
| C3 | N5 | sing | 1.35Å | 1.41Å | |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C4 | sing | 1.51Å | 1.52Å | |
| C10 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | N5 | sing | 1.47Å | 1.49Å | |
| C4 | C11 | sing | 1.51Å | 1.53Å | |
| C28 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H34 | sing | 1.08Å | 1.08Å | |
| C15 | H35 | sing | 1.08Å | 1.08Å | |
| C17 | H36 | sing | 1.08Å | 1.08Å | |
| C18 | H37 | sing | 1.08Å | 1.08Å | |
| C20 | H38 | sing | 1.08Å | 1.08Å | |
| C21 | H39 | sing | 1.08Å | 1.08Å | |
| C22 | H40 | sing | 1.08Å | 1.08Å | |
| C23 | H41 | sing | 1.08Å | 1.08Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C25 | H45 | sing | 1.08Å | 1.08Å | |
| C26 | H46 | sing | 1.08Å | 1.08Å | |
| C27 | H47 | sing | 1.08Å | 1.08Å | |
| C28 | H48 | sing | 1.08Å | 1.08Å | |
| C29 | H49 | sing | 1.08Å | 1.08Å | |
| C30 | H50 | sing | 1.08Å | 1.08Å | |
| C6 | H33 | sing | 1.09Å | 1.10Å | |
| C6 | H32 | sing | 1.09Å | 1.10Å | |
| N5 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | O19 | C16 | 115.1° | 117.0° |
| O19 | C24 | H44 | 109.5° | 109.5° |
| O19 | C24 | H42 | 109.5° | 109.5° |
| O19 | C24 | H43 | 109.5° | 109.4° |
| O19 | C16 | C17 | 123.6° | 119.9° |
| O19 | C16 | C18 | 116.1° | 119.9° |
| C17 | C16 | C18 | 120.2° | 120.2° |
| C16 | C17 | C14 | 119.5° | 120.1° |
| C16 | C17 | H36 | 120.3° | 119.9° |
| C16 | C18 | C15 | 119.8° | 120.1° |
| C16 | C18 | H37 | 120.1° | 119.9° |
| C17 | C14 | C12 | 120.2° | 119.9° |
| C17 | C14 | H34 | 119.9° | 120.1° |
| C14 | C17 | H36 | 120.3° | 120.0° |
| C18 | C15 | C12 | 119.9° | 119.9° |
| C18 | C15 | H35 | 120.1° | 120.0° |
| C15 | C18 | H37 | 120.1° | 120.0° |
| C14 | C12 | C15 | 120.4° | 119.7° |
| C14 | C12 | C7 | 120.6° | 120.2° |
| C12 | C14 | H34 | 119.9° | 120.0° |
| C15 | C12 | C7 | 119.0° | 120.1° |
| C12 | C15 | H35 | 120.0° | 120.1° |
| C12 | C7 | O13 | 123.4° | 120.0° |
| C12 | C7 | C6 | 117.0° | 120.0° |
| O13 | C7 | C6 | 119.7° | 120.0° |
| C7 | C6 | N1 | 108.1° | 109.5° |
| C7 | C6 | H33 | 109.8° | 109.4° |
| C7 | C6 | H32 | 109.9° | 109.4° |
| C6 | N1 | C2 | 125.7° | 124.2° |
| C6 | N1 | C3 | 122.6° | 124.1° |
| N1 | C6 | H33 | 109.8° | 109.5° |
| N1 | C6 | H32 | 109.8° | 109.5° |
| C2 | N1 | C3 | 111.6° | 111.7° |
| N1 | C2 | O8 | 123.7° | 127.2° |
| N1 | C2 | C4 | 107.1° | 105.7° |
| N1 | C3 | O9 | 125.5° | 123.8° |
| N1 | C3 | N5 | 106.7° | 112.4° |
| O8 | C2 | C4 | 129.1° | 127.2° |
| C21 | C25 | C29 | 120.1° | 120.0° |
| C25 | C21 | C10 | 120.3° | 120.0° |
| C25 | C21 | H39 | 119.9° | 120.0° |
| C21 | C25 | H45 | 120.0° | 120.0° |
| C25 | C29 | C28 | 119.9° | 120.0° |
| C29 | C25 | H45 | 119.9° | 120.0° |
| C25 | C29 | H49 | 120.1° | 120.0° |
| O9 | C3 | N5 | 127.8° | 123.7° |
| C21 | C10 | C4 | 121.4° | 120.0° |
| C21 | C10 | C20 | 119.6° | 120.0° |
| C10 | C21 | H39 | 119.9° | 120.0° |
| C2 | C4 | C10 | 111.7° | 110.6° |
| C2 | C4 | N5 | 101.4° | 103.6° |
| C2 | C4 | C11 | 108.1° | 110.6° |
| C3 | N5 | C4 | 112.9° | 106.6° |
| C3 | N5 | H31 | 123.5° | 126.7° |
| C29 | C28 | C20 | 120.4° | 120.0° |
| C29 | C28 | H48 | 119.8° | 120.0° |
| C28 | C29 | H49 | 120.1° | 120.0° |
| C4 | C10 | C20 | 118.9° | 120.0° |
| C10 | C4 | N5 | 106.7° | 110.6° |
| C10 | C4 | C11 | 114.7° | 110.5° |
| C10 | C20 | C28 | 119.7° | 119.9° |
| C10 | C20 | H38 | 120.1° | 120.0° |
| N5 | C4 | C11 | 113.5° | 110.7° |
| C4 | N5 | H31 | 123.6° | 126.7° |
| C4 | C11 | C22 | 118.3° | 120.0° |
| C4 | C11 | C23 | 122.6° | 120.0° |
| C28 | C20 | H38 | 120.2° | 120.0° |
| C20 | C28 | H48 | 119.8° | 119.9° |
| C11 | C22 | C26 | 120.6° | 120.0° |
| C22 | C11 | C23 | 119.1° | 120.1° |
| C11 | C22 | H40 | 119.7° | 120.0° |
| C22 | C26 | C30 | 120.1° | 120.0° |
| C26 | C22 | H40 | 119.7° | 120.0° |
| C22 | C26 | H46 | 119.9° | 120.0° |
| C11 | C23 | C27 | 120.0° | 120.0° |
| C11 | C23 | H41 | 120.0° | 120.1° |
| C26 | C30 | C27 | 119.6° | 120.0° |
| C30 | C26 | H46 | 120.0° | 120.0° |
| C26 | C30 | H50 | 120.2° | 120.0° |
| C23 | C27 | C30 | 120.7° | 120.0° |
| C27 | C23 | H41 | 120.0° | 120.0° |
| C23 | C27 | H47 | 119.6° | 120.0° |
| C30 | C27 | H47 | 119.6° | 120.0° |
| C27 | C30 | H50 | 120.2° | 120.0° |
| H44 | C24 | H42 | 109.4° | 109.5° |
| H44 | C24 | H43 | 109.5° | 109.4° |
| H42 | C24 | H43 | 109.4° | 109.5° |
| H33 | C6 | H32 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | O19 | C16 | C17 | 169.9° | 180.0° |
| C24 | O19 | C16 | C18 | 9.6° | 0.3° |
| O19 | C24 | H44 | H42 | 120.0° | 120.1° |
| O19 | C24 | H44 | H43 | 120.1° | 119.9° |
| O19 | C24 | H42 | H43 | 120.0° | 119.9° |
| O19 | C16 | C17 | C18 | 179.5° | 179.7° |
| O19 | C16 | C17 | C14 | 179.6° | 180.0° |
| O19 | C16 | C18 | C15 | 179.4° | 179.9° |
| O19 | C16 | C17 | H36 | 0.4° | 0.3° |
| O19 | C16 | C18 | H37 | 0.6° | 0.2° |
| C16 | O19 | C24 | H44 | 180.0° | 60.1° |
| C16 | O19 | C24 | H42 | 60.0° | 60.0° |
| C16 | O19 | C24 | H43 | 60.0° | 180.0° |
| C16 | C17 | C14 | H36 | 180.0° | 179.8° |
| C17 | C16 | C18 | C15 | 0.1° | 0.2° |
| C16 | C17 | C14 | C12 | 0.0° | 0.0° |
| C16 | C17 | C14 | H34 | 179.9° | 179.9° |
| C17 | C16 | C18 | H37 | 179.9° | 180.0° |
| C18 | C16 | C17 | C14 | 0.1° | 0.2° |
| C16 | C18 | C15 | H37 | 180.0° | 179.8° |
| C16 | C18 | C15 | C12 | 0.4° | 0.1° |
| C16 | C18 | C15 | H35 | 179.6° | 180.0° |
| C18 | C16 | C17 | H36 | 180.0° | 180.0° |
| C17 | C14 | C12 | H34 | 180.0° | 179.9° |
| C17 | C14 | C12 | C15 | 0.3° | 0.3° |
| C17 | C14 | C12 | C7 | 178.9° | 180.0° |
| C18 | C15 | C12 | C14 | 0.5° | 0.3° |
| C18 | C15 | C12 | H35 | 180.0° | 179.9° |
| C18 | C15 | C12 | C7 | 178.7° | 180.0° |
| C14 | C12 | C15 | C7 | 179.2° | 179.7° |
| C14 | C12 | C7 | O13 | 2.4° | 0.0° |
| C14 | C12 | C7 | C6 | 176.9° | 180.0° |
| C14 | C12 | C15 | H35 | 179.5° | 179.7° |
| C12 | C14 | C17 | H36 | 179.9° | 179.7° |
| C15 | C12 | C7 | O13 | 176.8° | 179.7° |
| C15 | C12 | C7 | C6 | 3.9° | 0.3° |
| C15 | C12 | C14 | H34 | 179.6° | 179.8° |
| C12 | C15 | C18 | H37 | 179.6° | 179.7° |
| C12 | C7 | O13 | C6 | 179.2° | 179.9° |
| C12 | C7 | C6 | N1 | 177.1° | 180.0° |
| C7 | C12 | C14 | H34 | 1.1° | 0.1° |
| C7 | C12 | C15 | H35 | 1.3° | 0.0° |
| C12 | C7 | C6 | H33 | 63.1° | 60.0° |
| C12 | C7 | C6 | H32 | 57.3° | 59.9° |
| O13 | C7 | C6 | N1 | 2.2° | 0.0° |
| O13 | C7 | C6 | H33 | 117.6° | 120.0° |
| O13 | C7 | C6 | H32 | 122.0° | 120.0° |
| C7 | C6 | N1 | H33 | 119.8° | 120.0° |
| C7 | C6 | N1 | H32 | 119.8° | 120.0° |
| C7 | C6 | N1 | C2 | 100.0° | 90.0° |
| C7 | C6 | N1 | C3 | 78.1° | 90.0° |
| C7 | C6 | H33 | H32 | 120.7° | 119.9° |
| C6 | N1 | C2 | C3 | 178.3° | 180.0° |
| C6 | N1 | C2 | O8 | 4.9° | 0.3° |
| C6 | N1 | C3 | O9 | 2.8° | 0.1° |
| C6 | N1 | C2 | C4 | 174.2° | 180.0° |
| C6 | N1 | C3 | N5 | 176.2° | 179.9° |
| N1 | C6 | H33 | H32 | 120.6° | 120.1° |
| N1 | C2 | O8 | C4 | 178.9° | 179.6° |
| C2 | N1 | C3 | O9 | 178.9° | 179.9° |
| C2 | N1 | C3 | N5 | 2.2° | 0.0° |
| N1 | C2 | C4 | C10 | 109.0° | 118.5° |
| N1 | C2 | C4 | N5 | 4.2° | 0.0° |
| N1 | C2 | C4 | C11 | 123.9° | 118.7° |
| C2 | N1 | C6 | H33 | 19.8° | 30.0° |
| C2 | N1 | C6 | H32 | 140.2° | 150.0° |
| C3 | N1 | C2 | O8 | 176.8° | 179.7° |
| N1 | C3 | O9 | N5 | 178.7° | 179.9° |
| C3 | N1 | C2 | C4 | 4.1° | 0.0° |
| N1 | C3 | N5 | C4 | 0.8° | 0.0° |
| C3 | N1 | C6 | H33 | 162.1° | 150.0° |
| C3 | N1 | C6 | H32 | 41.7° | 30.0° |
| N1 | C3 | N5 | H31 | 179.2° | 180.0° |
| O8 | C2 | C4 | C10 | 70.0° | 61.8° |
| O8 | C2 | C4 | N5 | 176.8° | 179.7° |
| O8 | C2 | C4 | C11 | 57.1° | 61.0° |
| C21 | C25 | C29 | H45 | 180.0° | 179.7° |
| C25 | C21 | C10 | H39 | 180.0° | 180.0° |
| C21 | C25 | C29 | C28 | 0.5° | 0.3° |
| C25 | C21 | C10 | C4 | 175.5° | 180.0° |
| C25 | C21 | C10 | C20 | 1.3° | 0.0° |
| C21 | C25 | C29 | H49 | 179.5° | 179.8° |
| C29 | C25 | C21 | C10 | 0.4° | 0.3° |
| C25 | C29 | C28 | H49 | 180.0° | 179.9° |
| C25 | C29 | C28 | C20 | 0.6° | 0.0° |
| C29 | C25 | C21 | H39 | 179.6° | 179.7° |
| C25 | C29 | C28 | H48 | 179.4° | 179.9° |
| O9 | C3 | N5 | C4 | 178.1° | 179.9° |
| O9 | C3 | N5 | H31 | 1.9° | 0.1° |
| C21 | C10 | C4 | C2 | 27.6° | 49.5° |
| C21 | C10 | C4 | C20 | 176.9° | 180.0° |
| C21 | C10 | C4 | N5 | 82.3° | 163.7° |
| C21 | C10 | C4 | C11 | 151.1° | 73.4° |
| C21 | C10 | C20 | C28 | 1.2° | 0.3° |
| C21 | C10 | C20 | H38 | 178.8° | 180.0° |
| C10 | C21 | C25 | H45 | 179.6° | 180.0° |
| C2 | C4 | N5 | C3 | 3.1° | 0.0° |
| C2 | C4 | C10 | N5 | 110.0° | 114.2° |
| C2 | C4 | C10 | C11 | 123.4° | 122.9° |
| C2 | C4 | C10 | C20 | 155.5° | 130.5° |
| C2 | C4 | N5 | C11 | 115.7° | 118.6° |
| C2 | C4 | C11 | C22 | 43.6° | 50.3° |
| C2 | C4 | C11 | C23 | 133.4° | 129.5° |
| C2 | C4 | N5 | H31 | 176.9° | 180.0° |
| C3 | N5 | C4 | C10 | 113.9° | 118.5° |
| C3 | N5 | C4 | H31 | 180.0° | 180.0° |
| C3 | N5 | C4 | C11 | 118.8° | 118.6° |
| C29 | C28 | C20 | C10 | 0.3° | 0.3° |
| C29 | C28 | C20 | H48 | 180.0° | 179.9° |
| C29 | C28 | C20 | H38 | 179.7° | 180.0° |
| C28 | C29 | C25 | H45 | 179.5° | 180.0° |
| C10 | C4 | N5 | C11 | 127.3° | 122.8° |
| C4 | C10 | C20 | C28 | 175.7° | 179.7° |
| C10 | C4 | C11 | C22 | 81.7° | 72.6° |
| C10 | C4 | C11 | C23 | 101.3° | 107.7° |
| C4 | C10 | C20 | H38 | 4.3° | 0.0° |
| C4 | C10 | C21 | H39 | 4.4° | 0.1° |
| C10 | C4 | N5 | H31 | 66.1° | 61.5° |
| C20 | C10 | C4 | N5 | 94.5° | 16.3° |
| C20 | C10 | C4 | C11 | 32.1° | 106.6° |
| C10 | C20 | C28 | H38 | 180.0° | 179.7° |
| C20 | C10 | C21 | H39 | 178.7° | 180.0° |
| C10 | C20 | C28 | H48 | 179.7° | 179.8° |
| N5 | C4 | C11 | C22 | 155.3° | 164.5° |
| N5 | C4 | C11 | C23 | 21.7° | 15.2° |
| C4 | C11 | C22 | C23 | 177.1° | 179.7° |
| C4 | C11 | C22 | C26 | 176.2° | 179.7° |
| C4 | C11 | C23 | C27 | 176.0° | 179.7° |
| C4 | C11 | C22 | H40 | 3.8° | 0.3° |
| C4 | C11 | C23 | H41 | 4.0° | 0.2° |
| C11 | C4 | N5 | H31 | 61.2° | 61.4° |
| C20 | C28 | C29 | H49 | 179.4° | 179.9° |
| C11 | C22 | C26 | H40 | 180.0° | 180.0° |
| C11 | C22 | C26 | C30 | 0.2° | 0.0° |
| C22 | C11 | C23 | C27 | 0.9° | 0.0° |
| C22 | C11 | C23 | H41 | 179.1° | 180.0° |
| C11 | C22 | C26 | H46 | 179.8° | 179.9° |
| C26 | C22 | C11 | C23 | 0.9° | 0.0° |
| C22 | C26 | C30 | H46 | 180.0° | 179.9° |
| C22 | C26 | C30 | C27 | 0.4° | 0.0° |
| C22 | C26 | C30 | H50 | 179.6° | 180.0° |
| C11 | C23 | C27 | H41 | 180.0° | 179.9° |
| C11 | C23 | C27 | C30 | 0.3° | 0.0° |
| C23 | C11 | C22 | H40 | 179.1° | 180.0° |
| C11 | C23 | C27 | H47 | 179.7° | 180.0° |
| C26 | C30 | C27 | C23 | 0.3° | 0.0° |
| C26 | C30 | C27 | H50 | 180.0° | 179.9° |
| C30 | C26 | C22 | H40 | 179.8° | 180.0° |
| C26 | C30 | C27 | H47 | 179.6° | 180.0° |
| C23 | C27 | C30 | H47 | 180.0° | 180.0° |
| C23 | C27 | C30 | H50 | 179.6° | 179.9° |
| C30 | C27 | C23 | H41 | 179.7° | 180.0° |
| C27 | C30 | C26 | H46 | 179.6° | 179.9° |
| H34 | C14 | C17 | H36 | 0.1° | 0.2° |
| H35 | C15 | C18 | H37 | 0.4° | 0.2° |
| H38 | C20 | C28 | H48 | 0.3° | 0.1° |
| H39 | C21 | C25 | H45 | 0.4° | 0.1° |
| H40 | C22 | C26 | H46 | 0.2° | 0.0° |
| H41 | C23 | C27 | H47 | 0.3° | 0.1° |
| H44 | C24 | H42 | H43 | 120.0° | 120.0° |
| H45 | C25 | C29 | H49 | 0.6° | 0.1° |
| H46 | C26 | C30 | H50 | 0.4° | 0.0° |
| H47 | C27 | C30 | H50 | 0.4° | 0.0° |
| H48 | C28 | C29 | H49 | 0.6° | 0.0° |
