7HM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| CL1 | C17 | sing | 1.74Å | 1.74Å | |
| C21 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| C22 | C23 | sing | 1.48Å | 1.48Å | |
| C20 | N11 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| O10 | C8 | doub | 1.22Å | 1.23Å | |
| C23 | N11 | sing | 1.34Å | 1.39Å | |
| C23 | O24 | doub | 1.22Å | 1.21Å | |
| N11 | C4 | sing | 1.39Å | 1.44Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | O9 | sing | 1.35Å | 1.30Å | |
| C8 | C3 | sing | 1.47Å | 1.50Å | |
| C4 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| O12 | C5 | sing | 1.36Å | 1.37Å | |
| O12 | C13 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | H34 | sing | 1.09Å | 1.10Å | |
| C13 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.08Å | 1.08Å | |
| C16 | H36 | sing | 1.08Å | 1.08Å | |
| C15 | H35 | sing | 1.08Å | 1.08Å | |
| C19 | H38 | sing | 1.08Å | 1.08Å | |
| C20 | H39 | sing | 1.09Å | 1.10Å | |
| C20 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.08Å | 1.08Å | |
| C2 | H29 | sing | 1.08Å | 1.08Å | |
| C6 | H30 | sing | 1.08Å | 1.08Å | |
| C7 | H31 | sing | 1.08Å | 1.08Å | |
| O9 | H32 | sing | 0.97Å | 0.95Å | |
| C25 | H41 | sing | 1.08Å | 1.08Å | |
| C26 | H42 | sing | 1.08Å | 1.08Å | |
| C28 | H44 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | C25 | 120.4° | 120.2° |
| C26 | C27 | C28 | 120.3° | 120.3° |
| C26 | C27 | H43 | 119.8° | 119.8° |
| C27 | C26 | H42 | 119.8° | 119.9° |
| C26 | C25 | C21 | 119.8° | 119.9° |
| C26 | C25 | H41 | 120.1° | 120.1° |
| C25 | C26 | H42 | 119.8° | 119.9° |
| C27 | C28 | C22 | 119.3° | 119.8° |
| C28 | C27 | H43 | 119.8° | 119.9° |
| C27 | C28 | H44 | 120.3° | 120.1° |
| C25 | C21 | C22 | 119.7° | 120.3° |
| C25 | C21 | C20 | 130.3° | 133.3° |
| C21 | C25 | H41 | 120.1° | 120.0° |
| C28 | C22 | C21 | 120.4° | 119.4° |
| C28 | C22 | C23 | 130.5° | 132.4° |
| C22 | C28 | H44 | 120.3° | 120.1° |
| CL1 | C17 | C16 | 119.5° | 120.0° |
| CL1 | C17 | C18 | 119.3° | 120.0° |
| C22 | C21 | C20 | 110.0° | 106.4° |
| C21 | C22 | C23 | 109.0° | 108.2° |
| C21 | C20 | N11 | 102.4° | 106.3° |
| C21 | C20 | H39 | 111.2° | 110.1° |
| C21 | C20 | H40 | 111.2° | 110.1° |
| C22 | C23 | N11 | 106.0° | 110.3° |
| C22 | C23 | O24 | 129.2° | 124.9° |
| C20 | N11 | C23 | 112.4° | 108.8° |
| C20 | N11 | C4 | 121.1° | 125.6° |
| N11 | C20 | H39 | 111.2° | 110.1° |
| N11 | C20 | H40 | 111.2° | 110.1° |
| C17 | C16 | C15 | 119.1° | 120.0° |
| C16 | C17 | C18 | 121.2° | 120.0° |
| C17 | C16 | H36 | 120.4° | 120.0° |
| C16 | C15 | C14 | 120.9° | 120.1° |
| C15 | C16 | H36 | 120.4° | 120.1° |
| C16 | C15 | H35 | 119.6° | 119.9° |
| C17 | C18 | C19 | 119.0° | 120.0° |
| C17 | C18 | H37 | 120.5° | 120.0° |
| O10 | C8 | O9 | 123.5° | 120.0° |
| O10 | C8 | C3 | 121.3° | 120.0° |
| N11 | C23 | O24 | 124.8° | 124.8° |
| C23 | N11 | C4 | 126.2° | 125.7° |
| N11 | C4 | C3 | 119.8° | 120.2° |
| N11 | C4 | C5 | 121.0° | 120.2° |
| C15 | C14 | C19 | 118.4° | 120.0° |
| C15 | C14 | C13 | 120.4° | 120.0° |
| C14 | C15 | H35 | 119.6° | 120.0° |
| C18 | C19 | C14 | 121.2° | 120.0° |
| C19 | C18 | H37 | 120.5° | 120.0° |
| C18 | C19 | H38 | 119.4° | 120.0° |
| O9 | C8 | C3 | 115.1° | 120.0° |
| C8 | O9 | H32 | 109.5° | 117.0° |
| C8 | C3 | C4 | 121.0° | 120.2° |
| C8 | C3 | C2 | 118.9° | 120.2° |
| C3 | C4 | C5 | 119.2° | 119.6° |
| C4 | C3 | C2 | 120.0° | 119.6° |
| C4 | C5 | O12 | 114.4° | 120.0° |
| C4 | C5 | C6 | 120.3° | 120.0° |
| C19 | C14 | C13 | 120.4° | 120.0° |
| C14 | C19 | H38 | 119.4° | 120.0° |
| C14 | C13 | O12 | 106.5° | 109.4° |
| C14 | C13 | H34 | 110.2° | 109.5° |
| C14 | C13 | H33 | 110.2° | 109.5° |
| C3 | C2 | C7 | 120.1° | 120.0° |
| C3 | C2 | H29 | 120.0° | 120.0° |
| C5 | O12 | C13 | 120.1° | 117.0° |
| O12 | C5 | C6 | 125.2° | 120.0° |
| O12 | C13 | H34 | 110.2° | 109.5° |
| O12 | C13 | H33 | 110.2° | 109.5° |
| C5 | C6 | C7 | 119.9° | 120.4° |
| C5 | C6 | H30 | 120.0° | 119.8° |
| C2 | C7 | C6 | 120.5° | 120.4° |
| C7 | C2 | H29 | 119.9° | 120.0° |
| C2 | C7 | H31 | 119.8° | 119.8° |
| C7 | C6 | H30 | 120.0° | 119.8° |
| C6 | C7 | H31 | 119.7° | 119.8° |
| H34 | C13 | H33 | 109.5° | 109.5° |
| H39 | C20 | H40 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | C25 | H42 | 180.0° | 180.0° |
| C26 | C27 | C28 | H43 | 180.0° | 180.0° |
| C27 | C26 | C25 | C21 | 0.3° | 0.0° |
| C26 | C27 | C28 | C22 | 2.2° | 0.1° |
| C27 | C26 | C25 | H41 | 179.7° | 180.0° |
| C26 | C27 | C28 | H44 | 177.8° | 180.0° |
| C25 | C26 | C27 | C28 | 1.3° | 0.0° |
| C26 | C25 | C21 | H41 | 180.0° | 180.0° |
| C26 | C25 | C21 | C22 | 1.1° | 0.0° |
| C26 | C25 | C21 | C20 | 178.0° | 180.0° |
| C25 | C26 | C27 | H43 | 178.7° | 180.0° |
| C27 | C28 | C22 | H44 | 180.0° | 179.9° |
| C27 | C28 | C22 | C21 | 1.4° | 0.1° |
| C27 | C28 | C22 | C23 | 175.0° | 180.0° |
| C28 | C27 | C26 | H42 | 178.6° | 180.0° |
| C25 | C21 | C22 | C28 | 0.2° | 0.1° |
| C25 | C21 | C22 | C20 | 179.3° | 180.0° |
| C25 | C21 | C22 | C23 | 177.3° | 180.0° |
| C25 | C21 | C20 | N11 | 175.5° | 180.0° |
| C25 | C21 | C20 | H39 | 56.7° | 60.8° |
| C25 | C21 | C20 | H40 | 65.6° | 60.8° |
| C21 | C25 | C26 | H42 | 179.7° | 179.9° |
| C28 | C22 | C21 | C23 | 177.1° | 179.9° |
| C28 | C22 | C21 | C20 | 179.1° | 179.9° |
| C28 | C22 | C23 | N11 | 176.0° | 179.9° |
| C28 | C22 | C23 | O24 | 3.3° | 0.2° |
| C22 | C28 | C27 | H43 | 177.8° | 179.9° |
| CL1 | C17 | C16 | C18 | 178.0° | 180.0° |
| CL1 | C17 | C16 | C15 | 176.9° | 180.0° |
| CL1 | C17 | C18 | C19 | 177.1° | 179.9° |
| CL1 | C17 | C18 | H37 | 2.9° | 0.3° |
| CL1 | C17 | C16 | H36 | 3.1° | 0.0° |
| C22 | C21 | C20 | N11 | 3.7° | 0.0° |
| C21 | C22 | C23 | N11 | 0.7° | 0.1° |
| C21 | C22 | C23 | O24 | 180.0° | 179.9° |
| C22 | C21 | C20 | H39 | 122.5° | 119.2° |
| C22 | C21 | C20 | H40 | 115.2° | 119.2° |
| C22 | C21 | C25 | H41 | 178.9° | 180.0° |
| C21 | C22 | C28 | H44 | 178.6° | 180.0° |
| C20 | C21 | C22 | C23 | 2.0° | 0.0° |
| C21 | C20 | N11 | H39 | 118.9° | 119.3° |
| C21 | C20 | N11 | H40 | 118.8° | 119.2° |
| C21 | C20 | N11 | C23 | 4.2° | 0.0° |
| C21 | C20 | N11 | C4 | 169.6° | 180.0° |
| C21 | C20 | H39 | H40 | 123.3° | 121.6° |
| C20 | C21 | C25 | H41 | 2.0° | 0.0° |
| C22 | C23 | N11 | C20 | 3.2° | 0.1° |
| C22 | C23 | N11 | O24 | 179.3° | 179.9° |
| C22 | C23 | N11 | C4 | 170.2° | 180.0° |
| C23 | C22 | C28 | H44 | 5.0° | 0.1° |
| C20 | N11 | C23 | C4 | 173.4° | 179.9° |
| C20 | N11 | C23 | O24 | 177.5° | 179.9° |
| C20 | N11 | C4 | C3 | 117.6° | 90.1° |
| C20 | N11 | C4 | C5 | 64.5° | 90.1° |
| N11 | C20 | H39 | H40 | 123.3° | 121.6° |
| C17 | C16 | C15 | H36 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 1.2° | 0.0° |
| C16 | C17 | C18 | C19 | 0.9° | 0.0° |
| C16 | C17 | C18 | H37 | 179.1° | 179.7° |
| C17 | C16 | C15 | H35 | 178.7° | 179.9° |
| C15 | C16 | C17 | C18 | 1.0° | 0.0° |
| C16 | C15 | C14 | H35 | 180.0° | 179.9° |
| C16 | C15 | C14 | C19 | 3.6° | 0.0° |
| C16 | C15 | C14 | C13 | 166.1° | 179.9° |
| C17 | C18 | C19 | H37 | 180.0° | 179.8° |
| C17 | C18 | C19 | C14 | 1.6° | 0.1° |
| C18 | C17 | C16 | H36 | 178.9° | 180.0° |
| C17 | C18 | C19 | H38 | 178.4° | 179.7° |
| O10 | C8 | O9 | C3 | 177.2° | 180.0° |
| O10 | C8 | C3 | C4 | 56.2° | 0.1° |
| O10 | C8 | C3 | C2 | 120.8° | 180.0° |
| O10 | C8 | O9 | H32 | 0.0° | 0.0° |
| C23 | N11 | C4 | C3 | 55.3° | 90.0° |
| C23 | N11 | C4 | C5 | 122.6° | 89.9° |
| C23 | N11 | C20 | H39 | 123.1° | 119.2° |
| C23 | N11 | C20 | H40 | 114.6° | 119.2° |
| O24 | C23 | N11 | C4 | 9.1° | 0.1° |
| N11 | C4 | C3 | C8 | 6.4° | 0.1° |
| N11 | C4 | C3 | C5 | 177.9° | 179.9° |
| N11 | C4 | C3 | C2 | 176.6° | 180.0° |
| N11 | C4 | C5 | O12 | 0.2° | 0.1° |
| N11 | C4 | C5 | C6 | 177.5° | 179.9° |
| C4 | N11 | C20 | H39 | 50.7° | 60.7° |
| C4 | N11 | C20 | H40 | 71.6° | 60.8° |
| C15 | C14 | C19 | C18 | 3.8° | 0.1° |
| C15 | C14 | C19 | C13 | 169.7° | 179.9° |
| C15 | C14 | C13 | O12 | 78.3° | 90.0° |
| C15 | C14 | C13 | H34 | 41.2° | 30.0° |
| C15 | C14 | C13 | H33 | 162.1° | 150.0° |
| C14 | C15 | C16 | H36 | 178.8° | 180.0° |
| C15 | C14 | C19 | H38 | 176.2° | 179.7° |
| C18 | C19 | C14 | H38 | 180.0° | 179.6° |
| C18 | C19 | C14 | C13 | 165.9° | 180.0° |
| O9 | C8 | C3 | C4 | 121.0° | 180.0° |
| O9 | C8 | C3 | C2 | 62.0° | 0.1° |
| C8 | C3 | C4 | C2 | 177.0° | 179.9° |
| C8 | C3 | C4 | C5 | 175.7° | 180.0° |
| C8 | C3 | C2 | C7 | 175.5° | 180.0° |
| C8 | C3 | C2 | H29 | 4.5° | 0.3° |
| C3 | C8 | O9 | H32 | 177.2° | 180.0° |
| C3 | C4 | C5 | O12 | 177.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.1° |
| C4 | C3 | C2 | C7 | 1.6° | 0.1° |
| C4 | C3 | C2 | H29 | 178.4° | 179.7° |
| C5 | C4 | C3 | C2 | 1.3° | 0.1° |
| C4 | C5 | O12 | C6 | 177.2° | 180.0° |
| C4 | C5 | O12 | C13 | 162.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.0° |
| C4 | C5 | C6 | H30 | 179.7° | 180.0° |
| C19 | C14 | C13 | O12 | 91.2° | 90.1° |
| C19 | C14 | C13 | H34 | 149.3° | 149.9° |
| C19 | C14 | C13 | H33 | 28.4° | 29.9° |
| C14 | C19 | C18 | H37 | 178.4° | 179.7° |
| C19 | C14 | C15 | H35 | 176.4° | 179.9° |
| C14 | C13 | O12 | C5 | 155.4° | 180.0° |
| C14 | C13 | O12 | H34 | 119.5° | 120.0° |
| C14 | C13 | O12 | H33 | 119.5° | 120.0° |
| C14 | C13 | H34 | H33 | 121.4° | 120.1° |
| C13 | C14 | C15 | H35 | 13.9° | 0.0° |
| C13 | C14 | C19 | H38 | 14.1° | 0.4° |
| C3 | C2 | C7 | H29 | 180.0° | 179.8° |
| C3 | C2 | C7 | C6 | 0.9° | 0.0° |
| C3 | C2 | C7 | H31 | 179.1° | 179.7° |
| O12 | C5 | C6 | C7 | 176.8° | 180.0° |
| C5 | O12 | C13 | H34 | 35.9° | 60.0° |
| C5 | O12 | C13 | H33 | 85.1° | 60.0° |
| O12 | C5 | C6 | H30 | 3.2° | 0.0° |
| C13 | O12 | C5 | C6 | 20.8° | 0.0° |
| O12 | C13 | H34 | H33 | 121.3° | 120.0° |
| C5 | C6 | C7 | C2 | 0.0° | 0.0° |
| C5 | C6 | C7 | H30 | 180.0° | 180.0° |
| C5 | C6 | C7 | H31 | 180.0° | 179.7° |
| C2 | C7 | C6 | H31 | 180.0° | 179.7° |
| C2 | C7 | C6 | H30 | 180.0° | 180.0° |
| C6 | C7 | C2 | H29 | 179.1° | 179.7° |
| H37 | C18 | C19 | H38 | 1.6° | 0.1° |
| H36 | C16 | C15 | H35 | 1.2° | 0.1° |
| H43 | C27 | C26 | H42 | 1.4° | 0.0° |
| H43 | C27 | C28 | H44 | 2.2° | 0.1° |
| H29 | C2 | C7 | H31 | 0.9° | 0.0° |
| H30 | C6 | C7 | H31 | 0.0° | 0.3° |
| H41 | C25 | C26 | H42 | 0.3° | 0.0° |
