O73
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | O10 | sing | 1.36Å | 1.38Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | N7 | sing | 1.48Å | 1.41Å | |
| N7 | O8 | doub | 1.22Å | 1.23Å | |
| N7 | O9 | sing | 1.22Å | 1.23Å | |
| O10 | C11 | sing | 1.43Å | 1.44Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | C13 | doub | 1.36Å | 1.51Å | Aromatic |
| C12 | C16 | sing | 1.41Å | 1.46Å | Aromatic |
| C13 | N14 | sing | 1.36Å | 1.36Å | Aromatic |
| C13 | C21 | sing | 1.51Å | 1.51Å | |
| N14 | C15 | sing | 1.36Å | 1.35Å | Aromatic |
| N14 | C22 | sing | 1.46Å | 1.50Å | |
| C15 | C16 | doub | 1.39Å | 1.46Å | Aromatic |
| C15 | C17 | sing | 1.47Å | 1.47Å | |
| C16 | C20 | sing | 1.48Å | 1.48Å | |
| C17 | C18 | sing | 1.47Å | 1.40Å | |
| C17 | O23 | doub | 1.22Å | 1.24Å | |
| C18 | C19 | doub | 1.35Å | 1.41Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.49Å | 1.47Å | |
| C19 | N25 | sing | 1.38Å | 1.37Å | |
| C20 | O24 | doub | 1.21Å | 1.26Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| N25 | C26 | sing | 1.46Å | 1.47Å | |
| N25 | HN25 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | N30 | sing | 1.47Å | 1.48Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| N30 | HN30 | sing | 1.01Å | 1.00Å | |
| N30 | HN3A | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.0° | 120.0° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| C1 | C2 | C3 | 120.4° | 119.9° |
| C1 | C2 | H2 | 119.8° | 120.0° |
| C6 | C1 | H1 | 120.0° | 120.0° |
| C1 | C6 | C5 | 119.5° | 120.2° |
| C1 | C6 | N7 | 119.4° | 119.9° |
| C3 | C2 | H2 | 119.8° | 120.0° |
| C2 | C3 | C4 | 119.8° | 119.9° |
| C2 | C3 | O10 | 118.7° | 120.0° |
| C4 | C3 | O10 | 121.5° | 120.1° |
| C3 | C4 | C5 | 119.6° | 120.0° |
| C3 | C4 | H4 | 120.2° | 120.0° |
| C3 | O10 | C11 | 125.9° | 117.0° |
| C5 | C4 | H4 | 120.2° | 120.0° |
| C4 | C5 | C6 | 120.7° | 120.0° |
| C4 | C5 | H5 | 119.6° | 120.0° |
| C6 | C5 | H5 | 119.6° | 120.0° |
| C5 | C6 | N7 | 121.1° | 119.9° |
| C6 | N7 | O8 | 122.0° | 120.0° |
| C6 | N7 | O9 | 119.2° | 120.0° |
| O8 | N7 | O9 | 118.8° | 120.0° |
| O10 | C11 | C12 | 108.1° | 109.5° |
| O10 | C11 | H11 | 110.0° | 109.5° |
| O10 | C11 | H11A | 109.9° | 109.5° |
| C12 | C11 | H11 | 109.9° | 109.5° |
| C12 | C11 | H11A | 109.9° | 109.4° |
| C11 | C12 | C13 | 132.6° | 126.3° |
| C11 | C12 | C16 | 123.2° | 126.4° |
| H11 | C11 | H11A | 109.0° | 109.5° |
| C13 | C12 | C16 | 104.2° | 107.4° |
| C12 | C13 | N14 | 110.6° | 109.1° |
| C12 | C13 | C21 | 126.8° | 125.4° |
| C12 | C16 | C15 | 104.1° | 106.9° |
| C12 | C16 | C20 | 136.0° | 133.4° |
| N14 | C13 | C21 | 122.6° | 125.5° |
| C13 | N14 | C15 | 107.9° | 109.1° |
| C13 | N14 | C22 | 124.7° | 125.4° |
| C13 | C21 | H21 | 109.5° | 109.4° |
| C13 | C21 | H21A | 109.5° | 109.5° |
| C13 | C21 | H21B | 109.5° | 109.5° |
| C15 | N14 | C22 | 127.4° | 125.4° |
| N14 | C15 | C16 | 113.2° | 107.5° |
| N14 | C15 | C17 | 128.0° | 132.9° |
| N14 | C22 | H22 | 109.5° | 109.5° |
| N14 | C22 | H22A | 109.5° | 109.5° |
| N14 | C22 | H22B | 109.5° | 109.4° |
| C16 | C15 | C17 | 118.8° | 119.6° |
| C15 | C16 | C20 | 119.9° | 119.7° |
| C15 | C17 | C18 | 120.2° | 120.2° |
| C15 | C17 | O23 | 118.5° | 119.9° |
| C16 | C20 | C19 | 118.0° | 119.5° |
| C16 | C20 | O24 | 122.4° | 120.3° |
| C18 | C17 | O23 | 121.3° | 120.0° |
| C17 | C18 | C19 | 122.9° | 120.8° |
| C17 | C18 | H18 | 118.5° | 119.6° |
| C19 | C18 | H18 | 118.6° | 119.6° |
| C18 | C19 | C20 | 120.2° | 120.2° |
| C18 | C19 | N25 | 120.7° | 119.9° |
| C20 | C19 | N25 | 119.1° | 119.9° |
| C19 | C20 | O24 | 119.6° | 120.2° |
| C19 | N25 | C26 | 114.2° | 120.0° |
| C19 | N25 | HN25 | 107.9° | 120.0° |
| H21 | C21 | H21A | 109.4° | 109.5° |
| H21 | C21 | H21B | 109.5° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| H22 | C22 | H22A | 109.4° | 109.5° |
| H22 | C22 | H22B | 109.4° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.4° |
| C26 | N25 | HN25 | 107.9° | 120.0° |
| N25 | C26 | C27 | 122.9° | 109.5° |
| N25 | C26 | H26 | 105.2° | 109.5° |
| N25 | C26 | H26A | 105.3° | 109.5° |
| C27 | C26 | H26 | 105.2° | 109.4° |
| C27 | C26 | H26A | 105.2° | 109.5° |
| C26 | C27 | C28 | 105.7° | 109.5° |
| C26 | C27 | H27 | 110.8° | 109.4° |
| C26 | C27 | H27A | 110.7° | 109.5° |
| H26 | C26 | H26A | 113.4° | 109.5° |
| C28 | C27 | H27 | 110.7° | 109.5° |
| C28 | C27 | H27A | 110.8° | 109.5° |
| C27 | C28 | C29 | 122.1° | 109.5° |
| C27 | C28 | H28 | 105.5° | 109.5° |
| C27 | C28 | H28A | 105.4° | 109.5° |
| H27 | C27 | H27A | 108.2° | 109.5° |
| C29 | C28 | H28 | 105.5° | 109.4° |
| C29 | C28 | H28A | 105.4° | 109.5° |
| C28 | C29 | N30 | 120.0° | 109.5° |
| C28 | C29 | H29 | 106.1° | 109.4° |
| C28 | C29 | H29A | 106.1° | 109.5° |
| H28 | C28 | H28A | 113.2° | 109.4° |
| N30 | C29 | H29 | 106.1° | 109.5° |
| N30 | C29 | H29A | 106.1° | 109.5° |
| C29 | N30 | HN30 | 109.5° | 111.0° |
| C29 | N30 | HN3A | 109.4° | 111.0° |
| H29 | C29 | H29A | 112.6° | 109.5° |
| HN30 | N30 | HN3A | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C1 | C2 | C3 | O10 | 179.5° | 179.9° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C2 | C1 | C6 | N7 | 179.6° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.0° |
| C1 | C6 | C5 | N7 | 179.3° | 179.9° |
| C1 | C6 | C5 | H5 | 180.0° | 180.0° |
| C1 | C6 | N7 | O8 | 161.0° | 0.0° |
| C1 | C6 | N7 | O9 | 19.8° | 180.0° |
| H1 | C1 | C2 | C3 | 179.9° | 179.7° |
| H1 | C1 | C2 | H2 | 0.1° | 0.3° |
| H1 | C1 | C6 | C5 | 179.7° | 179.7° |
| H1 | C1 | C6 | N7 | 0.4° | 0.3° |
| C2 | C3 | C4 | O10 | 178.7° | 179.9° |
| C2 | C3 | C4 | C5 | 1.0° | 0.0° |
| C2 | C3 | C4 | H4 | 179.0° | 180.0° |
| C2 | C3 | O10 | C11 | 133.5° | 180.0° |
| H2 | C2 | C3 | C4 | 179.3° | 180.0° |
| H2 | C2 | C3 | O10 | 0.5° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.1° |
| C3 | C4 | C5 | H5 | 179.3° | 180.0° |
| C4 | C3 | O10 | C11 | 47.8° | 0.1° |
| O10 | C3 | C4 | C5 | 179.7° | 180.0° |
| O10 | C3 | C4 | H4 | 0.3° | 0.0° |
| C3 | O10 | C11 | C12 | 174.2° | 180.0° |
| C3 | O10 | C11 | H11 | 65.8° | 60.0° |
| C3 | O10 | C11 | H11A | 54.2° | 60.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | N7 | 179.3° | 180.0° |
| H4 | C4 | C5 | C6 | 179.3° | 179.9° |
| H4 | C4 | C5 | H5 | 0.7° | 0.0° |
| C5 | C6 | N7 | O8 | 19.6° | 179.9° |
| C5 | C6 | N7 | O9 | 159.5° | 0.0° |
| H5 | C5 | C6 | N7 | 0.7° | 0.1° |
| C6 | N7 | O8 | O9 | 179.2° | 180.0° |
| O10 | C11 | C12 | H11 | 120.0° | 120.1° |
| O10 | C11 | C12 | H11A | 120.0° | 119.9° |
| O10 | C11 | H11 | H11A | 120.6° | 120.0° |
| O10 | C11 | C12 | C13 | 172.6° | 90.1° |
| O10 | C11 | C12 | C16 | 8.3° | 90.2° |
| C12 | C11 | H11 | H11A | 120.6° | 120.0° |
| C11 | C12 | C13 | C16 | 179.2° | 179.7° |
| C11 | C12 | C13 | N14 | 179.2° | 180.0° |
| C11 | C12 | C13 | C21 | 0.8° | 0.1° |
| C11 | C12 | C16 | C15 | 179.3° | 179.8° |
| C11 | C12 | C16 | C20 | 0.3° | 0.0° |
| H11 | C11 | C12 | C13 | 52.6° | 30.0° |
| H11 | C11 | C12 | C16 | 128.3° | 149.7° |
| H11A | C11 | C12 | C13 | 67.4° | 150.0° |
| H11A | C11 | C12 | C16 | 111.7° | 29.7° |
| C12 | C13 | N14 | C21 | 178.5° | 179.9° |
| C12 | C13 | N14 | C15 | 0.1° | 0.0° |
| C12 | C13 | N14 | C22 | 179.4° | 180.0° |
| C13 | C12 | C16 | C15 | 0.0° | 0.4° |
| C13 | C12 | C16 | C20 | 179.6° | 179.7° |
| C12 | C13 | C21 | H21 | 89.1° | 90.1° |
| C12 | C13 | C21 | H21A | 151.0° | 150.0° |
| C12 | C13 | C21 | H21B | 31.0° | 29.9° |
| C16 | C12 | C13 | N14 | 0.0° | 0.3° |
| C16 | C12 | C13 | C21 | 178.4° | 179.8° |
| C12 | C16 | C15 | N14 | 0.1° | 0.4° |
| C12 | C16 | C15 | C20 | 179.7° | 179.9° |
| C12 | C16 | C15 | C17 | 179.1° | 179.9° |
| C12 | C16 | C20 | C19 | 180.0° | 179.2° |
| C12 | C16 | C20 | O24 | 0.8° | 0.1° |
| C13 | N14 | C15 | C22 | 179.3° | 180.0° |
| C13 | N14 | C15 | C16 | 0.1° | 0.3° |
| C13 | N14 | C15 | C17 | 179.0° | 179.9° |
| N14 | C13 | C21 | H21 | 89.2° | 90.0° |
| N14 | C13 | C21 | H21A | 30.8° | 29.9° |
| N14 | C13 | C21 | H21B | 150.8° | 150.0° |
| C13 | N14 | C22 | H22 | 180.0° | 89.9° |
| C13 | N14 | C22 | H22A | 60.0° | 150.0° |
| C13 | N14 | C22 | H22B | 60.0° | 30.0° |
| C21 | C13 | N14 | C15 | 178.5° | 179.9° |
| C21 | C13 | N14 | C22 | 2.1° | 0.0° |
| C13 | C21 | H21 | H21A | 120.0° | 120.0° |
| C13 | C21 | H21 | H21B | 120.0° | 120.0° |
| C13 | C21 | H21A | H21B | 120.0° | 120.0° |
| N14 | C15 | C16 | C17 | 179.0° | 179.7° |
| N14 | C15 | C16 | C20 | 179.6° | 179.7° |
| N14 | C15 | C17 | C18 | 179.8° | 180.0° |
| N14 | C15 | C17 | O23 | 1.3° | 0.1° |
| C15 | N14 | C22 | H22 | 0.8° | 90.1° |
| C15 | N14 | C22 | H22A | 119.2° | 30.0° |
| C15 | N14 | C22 | H22B | 120.8° | 149.9° |
| C22 | N14 | C15 | C16 | 179.4° | 179.8° |
| C22 | N14 | C15 | C17 | 1.7° | 0.1° |
| N14 | C22 | H22 | H22A | 120.0° | 120.1° |
| N14 | C22 | H22 | H22B | 120.0° | 120.0° |
| N14 | C22 | H22A | H22B | 120.0° | 120.0° |
| C16 | C15 | C17 | C18 | 1.4° | 0.3° |
| C16 | C15 | C17 | O23 | 179.9° | 179.7° |
| C15 | C16 | C20 | C19 | 0.4° | 0.7° |
| C15 | C16 | C20 | O24 | 179.7° | 179.8° |
| C17 | C15 | C16 | C20 | 0.6° | 0.0° |
| C15 | C17 | C18 | O23 | 178.5° | 180.0° |
| C15 | C17 | C18 | C19 | 1.0° | 0.0° |
| C15 | C17 | C18 | H18 | 179.0° | 179.9° |
| C16 | C20 | C19 | C18 | 0.8° | 1.0° |
| C16 | C20 | C19 | O24 | 179.2° | 179.1° |
| C16 | C20 | C19 | N25 | 179.8° | 179.6° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.6° |
| C17 | C18 | C19 | N25 | 179.5° | 180.0° |
| O23 | C17 | C18 | C19 | 179.5° | 180.0° |
| O23 | C17 | C18 | H18 | 0.5° | 0.1° |
| C18 | C19 | C20 | N25 | 179.4° | 179.4° |
| C18 | C19 | C20 | O24 | 179.9° | 179.9° |
| C18 | C19 | N25 | C26 | 3.6° | 0.0° |
| C18 | C19 | N25 | HN25 | 123.6° | 180.0° |
| H18 | C18 | C19 | C20 | 179.9° | 179.4° |
| H18 | C18 | C19 | N25 | 0.5° | 0.0° |
| C20 | C19 | N25 | C26 | 175.8° | 179.4° |
| C20 | C19 | N25 | HN25 | 55.8° | 0.6° |
| N25 | C19 | C20 | O24 | 0.5° | 0.5° |
| C19 | N25 | C26 | HN25 | 120.0° | 180.0° |
| C19 | N25 | C26 | C27 | 170.7° | 180.0° |
| C19 | N25 | C26 | H26 | 69.4° | 60.0° |
| C19 | N25 | C26 | H26A | 50.6° | 60.0° |
| H21 | C21 | H21A | H21B | 120.0° | 120.0° |
| H22 | C22 | H22A | H22B | 120.0° | 120.0° |
| N25 | C26 | C27 | H26 | 120.0° | 120.0° |
| N25 | C26 | C27 | H26A | 120.0° | 120.0° |
| N25 | C26 | H26 | H26A | 114.5° | 120.0° |
| N25 | C26 | C27 | C28 | 165.9° | 180.0° |
| N25 | C26 | C27 | H27 | 74.1° | 60.0° |
| N25 | C26 | C27 | H27A | 45.9° | 60.0° |
| HN25 | N25 | C26 | C27 | 50.7° | 0.0° |
| HN25 | N25 | C26 | H26 | 170.6° | 120.0° |
| HN25 | N25 | C26 | H26A | 69.3° | 120.0° |
| C27 | C26 | H26 | H26A | 114.4° | 120.0° |
| C26 | C27 | C28 | H27 | 120.0° | 120.0° |
| C26 | C27 | C28 | H27A | 120.0° | 120.0° |
| C26 | C27 | H27 | H27A | 121.5° | 120.0° |
| C26 | C27 | C28 | C29 | 171.8° | 180.0° |
| C26 | C27 | C28 | H28 | 68.1° | 60.0° |
| C26 | C27 | C28 | H28A | 51.9° | 59.9° |
| H26 | C26 | C27 | C28 | 45.9° | 60.0° |
| H26 | C26 | C27 | H27 | 165.9° | 180.0° |
| H26 | C26 | C27 | H27A | 74.1° | 60.0° |
| H26A | C26 | C27 | C28 | 74.1° | 60.0° |
| H26A | C26 | C27 | H27 | 45.9° | 60.0° |
| H26A | C26 | C27 | H27A | 165.9° | 180.0° |
| C28 | C27 | H27 | H27A | 121.5° | 120.0° |
| C27 | C28 | C29 | H28 | 120.0° | 120.0° |
| C27 | C28 | C29 | H28A | 120.0° | 120.1° |
| C27 | C28 | H28 | H28A | 114.8° | 120.0° |
| C27 | C28 | C29 | N30 | 45.0° | 180.0° |
| C27 | C28 | C29 | H29 | 165.0° | 60.0° |
| C27 | C28 | C29 | H29A | 75.0° | 60.0° |
| H27 | C27 | C28 | C29 | 51.8° | 60.0° |
| H27 | C27 | C28 | H28 | 171.9° | 180.0° |
| H27 | C27 | C28 | H28A | 68.1° | 60.0° |
| H27A | C27 | C28 | C29 | 68.2° | 60.0° |
| H27A | C27 | C28 | H28 | 51.9° | 60.0° |
| H27A | C27 | C28 | H28A | 171.9° | 180.0° |
| C29 | C28 | H28 | H28A | 114.8° | 119.9° |
| C28 | C29 | N30 | H29 | 120.0° | 120.0° |
| C28 | C29 | N30 | H29A | 120.0° | 120.0° |
| C28 | C29 | H29 | H29A | 115.6° | 120.0° |
| C28 | C29 | N30 | HN30 | 180.0° | 56.1° |
| C28 | C29 | N30 | HN3A | 60.0° | 180.0° |
| H28 | C28 | C29 | N30 | 75.0° | 60.0° |
| H28 | C28 | C29 | H29 | 45.0° | 180.0° |
| H28 | C28 | C29 | H29A | 165.0° | 60.0° |
| H28A | C28 | C29 | N30 | 165.0° | 59.9° |
| H28A | C28 | C29 | H29 | 75.0° | 60.1° |
| H28A | C28 | C29 | H29A | 45.0° | 180.0° |
| N30 | C29 | H29 | H29A | 115.7° | 120.0° |
| C29 | N30 | HN30 | HN3A | 120.0° | 123.9° |
| H29 | C29 | N30 | HN30 | 60.0° | 63.9° |
| H29 | C29 | N30 | HN3A | 180.0° | 60.0° |
| H29A | C29 | N30 | HN30 | 60.0° | 176.1° |
| H29A | C29 | N30 | HN3A | 60.0° | 60.0° |
