7HO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| O32 | C30 | doub | 1.21Å | 1.20Å | |
| C26 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.51Å | 1.50Å | |
| C30 | O31 | sing | 1.34Å | 1.31Å | |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | O28 | sing | 1.43Å | 1.43Å | |
| C27 | O28 | sing | 1.36Å | 1.37Å | |
| C27 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| CL1 | C17 | sing | 1.74Å | 1.74Å | |
| C23 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.47Å | 1.51Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | N11 | sing | 1.35Å | 1.36Å | |
| C20 | O22 | doub | 1.22Å | 1.23Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| N11 | C4 | sing | 1.39Å | 1.43Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| O9 | C8 | sing | 1.35Å | 1.30Å | |
| C14 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C8 | O10 | doub | 1.21Å | 1.23Å | |
| C8 | C3 | sing | 1.47Å | 1.50Å | |
| O12 | C13 | sing | 1.43Å | 1.45Å | |
| O12 | C5 | sing | 1.36Å | 1.38Å | |
| C4 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | H39 | sing | 1.09Å | 1.10Å | |
| C13 | H38 | sing | 1.09Å | 1.10Å | |
| C18 | H42 | sing | 1.08Å | 1.08Å | |
| C16 | H41 | sing | 1.08Å | 1.08Å | |
| C15 | H40 | sing | 1.08Å | 1.08Å | |
| C19 | H43 | sing | 1.08Å | 1.08Å | |
| C23 | H44 | sing | 1.08Å | 1.08Å | |
| C24 | H45 | sing | 1.08Å | 1.08Å | |
| C2 | H33 | sing | 1.08Å | 1.08Å | |
| C6 | H34 | sing | 1.08Å | 1.08Å | |
| C7 | H35 | sing | 1.08Å | 1.08Å | |
| O9 | H36 | sing | 0.97Å | 0.95Å | |
| N11 | H37 | sing | 0.97Å | 1.00Å | |
| C25 | H46 | sing | 1.08Å | 1.08Å | |
| C26 | H47 | sing | 1.08Å | 1.08Å | |
| C29 | H48 | sing | 1.09Å | 1.10Å | |
| C29 | H49 | sing | 1.09Å | 1.10Å | |
| O31 | H50 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C24 | 120.2° | 120.4° |
| C25 | C26 | C27 | 119.7° | 120.0° |
| C26 | C25 | H46 | 119.9° | 119.8° |
| C25 | C26 | H47 | 120.2° | 120.0° |
| C25 | C24 | C23 | 120.4° | 120.3° |
| C25 | C24 | H45 | 119.8° | 119.8° |
| C24 | C25 | H46 | 119.9° | 119.8° |
| O32 | C30 | C29 | 123.3° | 120.0° |
| O32 | C30 | O31 | 123.6° | 120.0° |
| C26 | C27 | O28 | 122.2° | 120.1° |
| C26 | C27 | C21 | 121.0° | 119.7° |
| C27 | C26 | H47 | 120.1° | 120.0° |
| C29 | C30 | O31 | 113.0° | 120.0° |
| C30 | C29 | O28 | 106.7° | 109.5° |
| C30 | C29 | H48 | 110.1° | 109.5° |
| C30 | C29 | H49 | 110.2° | 109.5° |
| C30 | O31 | H50 | 109.5° | 117.0° |
| C24 | C23 | C21 | 120.9° | 119.9° |
| C24 | C23 | H44 | 119.6° | 120.1° |
| C23 | C24 | H45 | 119.8° | 119.9° |
| C29 | O28 | C27 | 117.6° | 117.0° |
| O28 | C29 | H48 | 110.2° | 109.5° |
| O28 | C29 | H49 | 110.1° | 109.5° |
| O28 | C27 | C21 | 116.3° | 120.2° |
| C27 | C21 | C23 | 117.7° | 119.6° |
| C27 | C21 | C20 | 126.3° | 120.2° |
| CL1 | C17 | C16 | 119.4° | 120.0° |
| CL1 | C17 | C18 | 119.4° | 120.0° |
| C23 | C21 | C20 | 116.0° | 120.2° |
| C21 | C23 | H44 | 119.5° | 120.0° |
| C21 | C20 | N11 | 116.7° | 120.0° |
| C21 | C20 | O22 | 120.7° | 120.0° |
| C17 | C16 | C15 | 119.1° | 120.0° |
| C16 | C17 | C18 | 121.1° | 120.0° |
| C17 | C16 | H41 | 120.4° | 120.0° |
| C16 | C15 | C14 | 121.0° | 120.1° |
| C15 | C16 | H41 | 120.4° | 120.0° |
| C16 | C15 | H40 | 119.5° | 120.0° |
| C17 | C18 | C19 | 119.0° | 120.0° |
| C17 | C18 | H42 | 120.5° | 120.0° |
| N11 | C20 | O22 | 122.5° | 120.0° |
| C20 | N11 | C4 | 123.6° | 120.1° |
| C20 | N11 | H37 | 118.2° | 120.0° |
| C15 | C14 | C19 | 118.2° | 120.0° |
| C15 | C14 | C13 | 121.1° | 120.0° |
| C14 | C15 | H40 | 119.5° | 119.9° |
| N11 | C4 | C3 | 119.9° | 120.1° |
| N11 | C4 | C5 | 120.3° | 120.2° |
| C4 | N11 | H37 | 118.2° | 120.0° |
| C18 | C19 | C14 | 121.2° | 120.0° |
| C19 | C18 | H42 | 120.5° | 120.0° |
| C18 | C19 | H43 | 119.4° | 120.0° |
| O9 | C8 | O10 | 123.2° | 120.0° |
| O9 | C8 | C3 | 114.7° | 120.0° |
| C8 | O9 | H36 | 109.5° | 117.1° |
| C19 | C14 | C13 | 119.9° | 120.0° |
| C14 | C19 | H43 | 119.4° | 120.0° |
| C14 | C13 | O12 | 109.3° | 109.5° |
| C14 | C13 | H39 | 109.5° | 109.4° |
| C14 | C13 | H38 | 109.5° | 109.5° |
| O10 | C8 | C3 | 122.1° | 120.0° |
| C8 | C3 | C4 | 122.7° | 120.2° |
| C8 | C3 | C2 | 118.4° | 120.2° |
| C13 | O12 | C5 | 120.1° | 117.0° |
| O12 | C13 | H39 | 109.5° | 109.5° |
| O12 | C13 | H38 | 109.5° | 109.4° |
| O12 | C5 | C4 | 114.9° | 120.0° |
| O12 | C5 | C6 | 125.0° | 120.0° |
| C3 | C4 | C5 | 119.7° | 119.6° |
| C4 | C3 | C2 | 118.9° | 119.6° |
| C4 | C5 | C6 | 120.1° | 120.0° |
| C3 | C2 | C7 | 120.7° | 120.0° |
| C3 | C2 | H33 | 119.6° | 120.0° |
| C5 | C6 | C7 | 119.8° | 120.4° |
| C5 | C6 | H34 | 120.1° | 119.9° |
| C2 | C7 | C6 | 120.7° | 120.4° |
| C7 | C2 | H33 | 119.6° | 120.0° |
| C2 | C7 | H35 | 119.7° | 119.8° |
| C7 | C6 | H34 | 120.1° | 119.8° |
| C6 | C7 | H35 | 119.6° | 119.8° |
| H39 | C13 | H38 | 109.5° | 109.5° |
| H48 | C29 | H49 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C24 | H46 | 180.0° | 179.7° |
| C25 | C26 | C27 | H47 | 180.0° | 179.6° |
| C26 | C25 | C24 | C23 | 0.5° | 0.4° |
| C25 | C26 | C27 | O28 | 166.8° | 180.0° |
| C25 | C26 | C27 | C21 | 4.7° | 0.1° |
| C26 | C25 | C24 | H45 | 179.4° | 179.7° |
| C24 | C25 | C26 | C27 | 2.6° | 0.4° |
| C25 | C24 | C23 | H45 | 180.0° | 180.0° |
| C25 | C24 | C23 | C21 | 1.6° | 0.1° |
| C25 | C24 | C23 | H44 | 178.4° | 180.0° |
| C24 | C25 | C26 | H47 | 177.4° | 180.0° |
| O32 | C30 | C29 | O31 | 175.3° | 180.0° |
| O32 | C30 | C29 | O28 | 169.6° | 4.2° |
| O32 | C30 | C29 | H48 | 50.0° | 115.8° |
| O32 | C30 | C29 | H49 | 70.9° | 124.2° |
| O32 | C30 | O31 | H50 | 0.0° | 0.0° |
| C26 | C27 | O28 | C29 | 51.2° | 0.5° |
| C26 | C27 | O28 | C21 | 171.9° | 179.9° |
| C26 | C27 | C21 | C23 | 3.6° | 0.2° |
| C26 | C27 | C21 | C20 | 174.0° | 180.0° |
| C27 | C26 | C25 | H46 | 177.4° | 180.0° |
| C30 | C29 | O28 | H48 | 119.6° | 120.0° |
| C30 | C29 | O28 | H49 | 119.6° | 120.0° |
| C30 | C29 | O28 | C27 | 126.8° | 177.1° |
| C30 | C29 | H48 | H49 | 121.3° | 120.0° |
| C29 | C30 | O31 | H50 | 175.3° | 180.0° |
| O31 | C30 | C29 | O28 | 5.7° | 175.8° |
| O31 | C30 | C29 | H48 | 125.3° | 64.2° |
| O31 | C30 | C29 | H49 | 113.8° | 55.8° |
| C24 | C23 | C21 | C27 | 0.5° | 0.2° |
| C24 | C23 | C21 | H44 | 180.0° | 180.0° |
| C24 | C23 | C21 | C20 | 177.4° | 180.0° |
| C23 | C24 | C25 | H46 | 179.5° | 180.0° |
| C29 | O28 | C27 | C21 | 120.7° | 179.4° |
| O28 | C29 | H48 | H49 | 121.3° | 120.0° |
| O28 | C27 | C21 | C23 | 168.4° | 179.7° |
| O28 | C27 | C21 | C20 | 14.0° | 0.1° |
| O28 | C27 | C26 | H47 | 13.2° | 0.4° |
| C27 | O28 | C29 | H48 | 7.2° | 57.0° |
| C27 | O28 | C29 | H49 | 113.7° | 63.0° |
| C27 | C21 | C23 | C20 | 177.9° | 179.8° |
| C27 | C21 | C20 | N11 | 22.0° | 173.1° |
| C27 | C21 | C20 | O22 | 158.0° | 7.0° |
| C27 | C21 | C23 | H44 | 179.5° | 179.7° |
| C21 | C27 | C26 | H47 | 175.2° | 179.7° |
| CL1 | C17 | C16 | C18 | 175.8° | 180.0° |
| CL1 | C17 | C16 | C15 | 172.4° | 180.0° |
| CL1 | C17 | C18 | C19 | 172.8° | 180.0° |
| CL1 | C17 | C18 | H42 | 7.2° | 0.2° |
| CL1 | C17 | C16 | H41 | 7.6° | 0.0° |
| C23 | C21 | C20 | N11 | 160.4° | 7.1° |
| C23 | C21 | C20 | O22 | 19.7° | 172.8° |
| C21 | C23 | C24 | H45 | 178.4° | 180.0° |
| C21 | C20 | N11 | O22 | 180.0° | 179.9° |
| C21 | C20 | N11 | C4 | 174.6° | 176.2° |
| C20 | C21 | C23 | H44 | 2.6° | 0.0° |
| C21 | C20 | N11 | H37 | 5.3° | 3.9° |
| C17 | C16 | C15 | H41 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.9° | 0.0° |
| C16 | C17 | C18 | C19 | 3.0° | 0.0° |
| C16 | C17 | C18 | H42 | 177.0° | 179.8° |
| C17 | C16 | C15 | H40 | 179.1° | 180.0° |
| C15 | C16 | C17 | C18 | 3.4° | 0.0° |
| C16 | C15 | C14 | H40 | 180.0° | 179.9° |
| C16 | C15 | C14 | C19 | 5.3° | 0.1° |
| C16 | C15 | C14 | C13 | 164.3° | 180.0° |
| C17 | C18 | C19 | H42 | 180.0° | 179.8° |
| C17 | C18 | C19 | C14 | 1.7° | 0.0° |
| C18 | C17 | C16 | H41 | 176.7° | 180.0° |
| C17 | C18 | C19 | H43 | 178.3° | 179.8° |
| C20 | N11 | C4 | H37 | 180.0° | 179.9° |
| C20 | N11 | C4 | C3 | 75.8° | 94.8° |
| C20 | N11 | C4 | C5 | 109.0° | 85.1° |
| O22 | C20 | N11 | C4 | 5.4° | 3.7° |
| O22 | C20 | N11 | H37 | 174.7° | 176.2° |
| C15 | C14 | C19 | C18 | 5.7° | 0.1° |
| C15 | C14 | C19 | C13 | 169.8° | 180.0° |
| C15 | C14 | C13 | O12 | 62.7° | 105.0° |
| C15 | C14 | C13 | H39 | 57.2° | 15.0° |
| C15 | C14 | C13 | H38 | 177.3° | 135.1° |
| C14 | C15 | C16 | H41 | 179.1° | 180.0° |
| C15 | C14 | C19 | H43 | 174.2° | 179.8° |
| N11 | C4 | C3 | C8 | 5.0° | 0.1° |
| N11 | C4 | C5 | O12 | 4.9° | 0.1° |
| N11 | C4 | C3 | C5 | 175.3° | 180.0° |
| N11 | C4 | C3 | C2 | 173.7° | 180.0° |
| N11 | C4 | C5 | C6 | 173.7° | 179.9° |
| C18 | C19 | C14 | H43 | 180.0° | 179.8° |
| C18 | C19 | C14 | C13 | 164.1° | 180.0° |
| O9 | C8 | O10 | C3 | 179.6° | 180.0° |
| O9 | C8 | C3 | C4 | 65.4° | 178.5° |
| O9 | C8 | C3 | C2 | 113.3° | 1.5° |
| C19 | C14 | C13 | O12 | 106.7° | 75.0° |
| C19 | C14 | C13 | H39 | 133.3° | 165.0° |
| C19 | C14 | C13 | H38 | 13.2° | 45.0° |
| C14 | C19 | C18 | H42 | 178.3° | 179.8° |
| C19 | C14 | C15 | H40 | 174.7° | 180.0° |
| C14 | C13 | O12 | H39 | 120.0° | 120.0° |
| C14 | C13 | O12 | H38 | 120.0° | 120.0° |
| C14 | C13 | O12 | C5 | 174.5° | 179.3° |
| C14 | C13 | H39 | H38 | 120.1° | 120.0° |
| C13 | C14 | C15 | H40 | 15.7° | 0.0° |
| C13 | C14 | C19 | H43 | 16.0° | 0.2° |
| O10 | C8 | C3 | C4 | 114.3° | 1.6° |
| O10 | C8 | C3 | C2 | 67.0° | 178.5° |
| O10 | C8 | O9 | H36 | 0.0° | 180.0° |
| C8 | C3 | C4 | C2 | 178.7° | 179.9° |
| C8 | C3 | C4 | C5 | 179.8° | 180.0° |
| C8 | C3 | C2 | C7 | 178.6° | 180.0° |
| C8 | C3 | C2 | H33 | 1.3° | 0.3° |
| C3 | C8 | O9 | H36 | 179.7° | 0.0° |
| C13 | O12 | C5 | C4 | 164.5° | 178.6° |
| C13 | O12 | C5 | C6 | 17.0° | 1.4° |
| O12 | C13 | H39 | H38 | 120.1° | 120.0° |
| O12 | C5 | C4 | C3 | 179.9° | 180.0° |
| O12 | C5 | C4 | C6 | 178.6° | 180.0° |
| O12 | C5 | C6 | C7 | 178.3° | 179.9° |
| C5 | O12 | C13 | H39 | 65.6° | 60.7° |
| C5 | O12 | C13 | H38 | 54.5° | 59.3° |
| O12 | C5 | C6 | H34 | 1.7° | 0.0° |
| C3 | C4 | C5 | C6 | 1.5° | 0.0° |
| C4 | C3 | C2 | C7 | 0.1° | 0.0° |
| C4 | C3 | C2 | H33 | 179.9° | 179.7° |
| C3 | C4 | N11 | H37 | 104.3° | 85.3° |
| C5 | C4 | C3 | C2 | 1.5° | 0.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.1° |
| C4 | C5 | C6 | H34 | 179.9° | 180.0° |
| C5 | C4 | N11 | H37 | 71.0° | 94.7° |
| C3 | C2 | C7 | H33 | 180.0° | 179.7° |
| C3 | C2 | C7 | C6 | 1.8° | 0.0° |
| C3 | C2 | C7 | H35 | 178.2° | 179.7° |
| C5 | C6 | C7 | C2 | 1.8° | 0.1° |
| C5 | C6 | C7 | H34 | 180.0° | 179.9° |
| C5 | C6 | C7 | H35 | 178.2° | 179.7° |
| C2 | C7 | C6 | H35 | 180.0° | 179.6° |
| C2 | C7 | C6 | H34 | 178.2° | 180.0° |
| C6 | C7 | C2 | H33 | 178.2° | 179.7° |
| H42 | C18 | C19 | H43 | 1.7° | 0.0° |
| H41 | C16 | C15 | H40 | 0.9° | 0.0° |
| H44 | C23 | C24 | H45 | 1.6° | 0.0° |
| H45 | C24 | C25 | H46 | 0.6° | 0.0° |
| H33 | C2 | C7 | H35 | 1.8° | 0.0° |
| H34 | C6 | C7 | H35 | 1.8° | 0.4° |
| H46 | C25 | C26 | H47 | 2.6° | 0.4° |
