A1EG7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C18 | sing | 1.36Å | 1.36Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| O22 | C19 | sing | 1.36Å | 1.36Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.47Å | 1.46Å | |
| C16 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.35Å | 1.33Å | |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| O9 | C7 | doub | 1.21Å | 1.25Å | |
| O13 | C12 | doub | 1.22Å | 1.21Å | |
| C14 | C12 | sing | 1.42Å | 1.47Å | |
| C12 | O11 | sing | 1.35Å | 1.34Å | |
| O10 | C6 | sing | 1.43Å | 1.43Å | |
| C7 | C6 | sing | 1.51Å | 1.54Å | |
| C7 | O8 | sing | 1.34Å | 1.24Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C6 | C1 | sing | 1.53Å | 1.53Å | |
| O11 | C4 | sing | 1.43Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| O25 | C2 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | O24 | sing | 1.43Å | 1.42Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| O8 | H12 | sing | 0.97Å | 0.95Å | |
| O10 | H13 | sing | 0.97Å | 0.95Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| O22 | H15 | sing | 0.97Å | 0.95Å | |
| O23 | H16 | sing | 0.97Å | 0.95Å | |
| O24 | H17 | sing | 0.97Å | 0.95Å | |
| O25 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C18 | C17 | 120.9° | 120.0° |
| O23 | C18 | C19 | 119.1° | 119.9° |
| C18 | O23 | H16 | 109.5° | 114.0° |
| C17 | C18 | C19 | 120.0° | 120.1° |
| C18 | C17 | C16 | 120.7° | 119.8° |
| C18 | C17 | H5 | 119.7° | 120.1° |
| C18 | C19 | O22 | 119.6° | 119.9° |
| C18 | C19 | C20 | 119.5° | 120.1° |
| C17 | C16 | C15 | 121.0° | 120.1° |
| C17 | C16 | C21 | 118.6° | 119.8° |
| C16 | C17 | H5 | 119.7° | 120.1° |
| O22 | C19 | C20 | 120.9° | 119.9° |
| C19 | O22 | H15 | 109.5° | 114.0° |
| C19 | C20 | C21 | 120.2° | 120.2° |
| C19 | C20 | H6 | 119.9° | 119.9° |
| C15 | C16 | C21 | 120.4° | 120.1° |
| C16 | C15 | C14 | 125.9° | 120.0° |
| C16 | C15 | H4 | 117.0° | 120.0° |
| C16 | C21 | C20 | 121.0° | 120.0° |
| C16 | C21 | H7 | 119.5° | 120.1° |
| C15 | C14 | C12 | 123.2° | 120.0° |
| C14 | C15 | H4 | 117.0° | 120.0° |
| C15 | C14 | H14 | 118.4° | 120.0° |
| C21 | C20 | H6 | 119.9° | 120.0° |
| C20 | C21 | H7 | 119.5° | 120.0° |
| O9 | C7 | C6 | 115.9° | 120.0° |
| O9 | C7 | O8 | 126.9° | 120.0° |
| O13 | C12 | C14 | 125.6° | 120.0° |
| O13 | C12 | O11 | 123.7° | 120.0° |
| C14 | C12 | O11 | 110.7° | 120.0° |
| C12 | C14 | H14 | 118.4° | 120.0° |
| C12 | O11 | C4 | 117.8° | 117.0° |
| O10 | C6 | C7 | 106.9° | 109.5° |
| O10 | C6 | C5 | 109.6° | 109.5° |
| O10 | C6 | C1 | 110.2° | 109.5° |
| C6 | O10 | H13 | 109.5° | 114.0° |
| C6 | C7 | O8 | 117.2° | 120.0° |
| C7 | C6 | C5 | 109.3° | 109.5° |
| C7 | C6 | C1 | 110.1° | 109.5° |
| C7 | O8 | H12 | 109.5° | 117.0° |
| C6 | C5 | C4 | 113.6° | 109.5° |
| C5 | C6 | C1 | 110.8° | 109.4° |
| C6 | C5 | H2 | 108.4° | 109.5° |
| C6 | C5 | H3 | 108.4° | 109.4° |
| C5 | C4 | O11 | 106.7° | 109.5° |
| C5 | C4 | C3 | 110.9° | 109.5° |
| C5 | C4 | H1 | 109.8° | 109.5° |
| C4 | C5 | H2 | 108.4° | 109.5° |
| C4 | C5 | H3 | 108.4° | 109.4° |
| C6 | C1 | C2 | 112.4° | 109.4° |
| C6 | C1 | H8 | 108.7° | 109.5° |
| C6 | C1 | H9 | 108.7° | 109.5° |
| O11 | C4 | C3 | 109.0° | 109.4° |
| O11 | C4 | H1 | 110.7° | 109.5° |
| C4 | C3 | C2 | 110.1° | 109.4° |
| C4 | C3 | O24 | 108.7° | 109.5° |
| C3 | C4 | H1 | 109.7° | 109.4° |
| C4 | C3 | H11 | 109.0° | 109.5° |
| C1 | C2 | O25 | 110.7° | 109.5° |
| C1 | C2 | C3 | 111.0° | 109.5° |
| C2 | C1 | H8 | 108.8° | 109.5° |
| C2 | C1 | H9 | 108.7° | 109.5° |
| C1 | C2 | H10 | 107.9° | 109.4° |
| O25 | C2 | C3 | 109.9° | 109.5° |
| O25 | C2 | H10 | 109.2° | 109.5° |
| C2 | O25 | H18 | 109.5° | 114.0° |
| C2 | C3 | O24 | 109.6° | 109.5° |
| C3 | C2 | H10 | 108.0° | 109.4° |
| C2 | C3 | H11 | 109.1° | 109.5° |
| O24 | C3 | H11 | 110.4° | 109.5° |
| C3 | O24 | H17 | 109.5° | 114.0° |
| H2 | C5 | H3 | 109.4° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C18 | C17 | C19 | 179.4° | 179.9° |
| O23 | C18 | C17 | C16 | 179.3° | 180.0° |
| O23 | C18 | C19 | O22 | 0.8° | 0.1° |
| O23 | C18 | C19 | C20 | 179.3° | 180.0° |
| O23 | C18 | C17 | H5 | 0.7° | 0.2° |
| C18 | C17 | C16 | H5 | 180.0° | 179.8° |
| C17 | C18 | C19 | O22 | 179.8° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | C17 | C16 | C15 | 179.0° | 179.7° |
| C18 | C17 | C16 | C21 | 0.1° | 0.2° |
| C17 | C18 | O23 | H16 | 180.0° | 90.0° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C18 | C19 | O22 | C20 | 179.9° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.2° |
| C19 | C18 | C17 | H5 | 179.9° | 179.7° |
| C18 | C19 | C20 | H6 | 179.9° | 179.7° |
| C18 | C19 | O22 | H15 | 180.0° | 90.0° |
| C19 | C18 | O23 | H16 | 0.6° | 90.1° |
| C17 | C16 | C15 | C21 | 178.9° | 179.9° |
| C17 | C16 | C15 | C14 | 171.3° | 180.0° |
| C17 | C16 | C21 | C20 | 0.0° | 0.4° |
| C17 | C16 | C15 | H4 | 8.7° | 0.1° |
| C17 | C16 | C21 | H7 | 180.0° | 179.5° |
| O22 | C19 | C20 | C21 | 179.8° | 179.7° |
| O22 | C19 | C20 | H6 | 0.1° | 0.3° |
| C19 | C20 | C21 | C16 | 0.0° | 0.5° |
| C19 | C20 | C21 | H6 | 180.0° | 179.5° |
| C19 | C20 | C21 | H7 | 180.0° | 179.5° |
| C20 | C19 | O22 | H15 | 0.1° | 89.9° |
| C16 | C15 | C14 | H4 | 180.0° | 179.9° |
| C15 | C16 | C21 | C20 | 178.9° | 179.5° |
| C16 | C15 | C14 | C12 | 179.4° | 180.0° |
| C15 | C16 | C17 | H5 | 1.1° | 0.1° |
| C15 | C16 | C21 | H7 | 1.1° | 0.6° |
| C16 | C15 | C14 | H14 | 0.6° | 0.1° |
| C21 | C16 | C15 | C14 | 9.9° | 0.1° |
| C16 | C21 | C20 | H7 | 180.0° | 179.9° |
| C21 | C16 | C15 | H4 | 170.1° | 180.0° |
| C21 | C16 | C17 | H5 | 180.0° | 180.0° |
| C16 | C21 | C20 | H6 | 180.0° | 179.9° |
| C15 | C14 | C12 | O13 | 5.8° | 0.1° |
| C15 | C14 | C12 | H14 | 180.0° | 179.9° |
| C15 | C14 | C12 | O11 | 174.4° | 180.0° |
| O9 | C7 | C6 | O10 | 10.3° | 145.1° |
| O9 | C7 | C6 | O8 | 179.8° | 179.9° |
| O9 | C7 | C6 | C5 | 108.2° | 25.0° |
| O9 | C7 | C6 | C1 | 129.9° | 94.9° |
| O9 | C7 | O8 | H12 | 0.0° | 0.1° |
| O13 | C12 | C14 | O11 | 179.9° | 180.0° |
| O13 | C12 | O11 | C4 | 5.7° | 0.0° |
| O13 | C12 | C14 | H14 | 174.2° | 180.0° |
| C14 | C12 | O11 | C4 | 174.1° | 179.9° |
| C12 | C14 | C15 | H4 | 0.6° | 0.1° |
| C12 | O11 | C4 | C5 | 97.0° | 150.0° |
| C12 | O11 | C4 | C3 | 143.2° | 90.0° |
| C12 | O11 | C4 | H1 | 22.4° | 29.9° |
| O11 | C12 | C14 | H14 | 5.6° | 0.0° |
| O10 | C6 | C7 | C5 | 118.5° | 120.0° |
| O10 | C6 | C7 | C1 | 119.6° | 120.0° |
| O10 | C6 | C7 | O8 | 169.9° | 35.0° |
| O10 | C6 | C5 | C1 | 121.8° | 120.0° |
| O10 | C6 | C5 | C4 | 70.6° | 59.9° |
| O10 | C6 | C1 | C2 | 70.0° | 60.0° |
| O10 | C6 | C5 | H2 | 50.0° | 180.0° |
| O10 | C6 | C5 | H3 | 168.8° | 60.0° |
| O10 | C6 | C1 | H8 | 169.5° | 180.0° |
| O10 | C6 | C1 | H9 | 50.4° | 60.0° |
| C7 | C6 | C5 | C1 | 121.4° | 120.0° |
| C7 | C6 | C5 | C4 | 172.6° | 180.0° |
| C7 | C6 | C1 | C2 | 172.4° | 180.0° |
| C7 | C6 | C5 | H2 | 66.8° | 60.0° |
| C7 | C6 | C5 | H3 | 52.0° | 60.0° |
| C7 | C6 | C1 | H8 | 51.9° | 60.0° |
| C7 | C6 | C1 | H9 | 67.2° | 60.0° |
| C6 | C7 | O8 | H12 | 179.7° | 180.0° |
| C7 | C6 | O10 | H13 | 5.0° | 59.9° |
| O8 | C7 | C6 | C5 | 71.6° | 155.0° |
| O8 | C7 | C6 | C1 | 50.3° | 85.0° |
| C6 | C5 | C4 | H2 | 120.6° | 120.1° |
| C6 | C5 | C4 | H3 | 120.6° | 119.9° |
| C6 | C5 | C4 | O11 | 173.1° | 180.0° |
| C6 | C5 | C4 | C3 | 54.5° | 60.0° |
| C5 | C6 | C1 | C2 | 51.4° | 60.1° |
| C6 | C5 | C4 | H1 | 66.9° | 59.9° |
| C6 | C5 | H2 | H3 | 118.1° | 120.0° |
| C5 | C6 | C1 | H8 | 69.0° | 60.0° |
| C5 | C6 | C1 | H9 | 171.9° | 180.0° |
| C5 | C6 | O10 | H13 | 113.3° | 180.0° |
| C4 | C5 | C6 | C1 | 51.2° | 60.1° |
| C5 | C4 | O11 | C3 | 119.8° | 120.0° |
| C5 | C4 | O11 | H1 | 119.5° | 120.1° |
| C5 | C4 | C3 | H1 | 121.5° | 120.0° |
| C5 | C4 | C3 | C2 | 56.9° | 60.0° |
| C5 | C4 | C3 | O24 | 176.9° | 180.0° |
| C4 | C5 | H2 | H3 | 118.1° | 120.0° |
| C5 | C4 | C3 | H11 | 62.7° | 60.0° |
| C6 | C1 | C2 | H8 | 120.4° | 120.1° |
| C6 | C1 | C2 | H9 | 120.4° | 120.0° |
| C6 | C1 | C2 | O25 | 66.5° | 60.0° |
| C6 | C1 | C2 | C3 | 55.9° | 60.1° |
| C1 | C6 | C5 | H2 | 171.8° | 60.0° |
| C1 | C6 | C5 | H3 | 69.5° | 180.0° |
| C6 | C1 | H8 | H9 | 118.7° | 120.0° |
| C6 | C1 | C2 | H10 | 174.1° | 180.0° |
| C1 | C6 | O10 | H13 | 124.5° | 60.0° |
| O11 | C4 | C3 | H1 | 121.3° | 120.0° |
| O11 | C4 | C3 | C2 | 174.2° | 180.0° |
| O11 | C4 | C3 | O24 | 65.9° | 60.0° |
| O11 | C4 | C5 | H2 | 66.3° | 59.9° |
| O11 | C4 | C5 | H3 | 52.4° | 60.1° |
| O11 | C4 | C3 | H11 | 54.6° | 60.0° |
| C4 | C3 | C2 | C1 | 58.0° | 60.0° |
| C4 | C3 | C2 | O25 | 64.8° | 60.0° |
| C4 | C3 | C2 | O24 | 119.5° | 120.0° |
| C4 | C3 | C2 | H11 | 119.5° | 120.0° |
| C4 | C3 | O24 | H11 | 119.5° | 120.0° |
| C3 | C4 | C5 | H2 | 175.1° | 60.0° |
| C3 | C4 | C5 | H3 | 66.2° | 180.0° |
| C4 | C3 | C2 | H10 | 176.1° | 180.0° |
| C4 | C3 | O24 | H17 | 180.0° | 180.0° |
| C1 | C2 | O25 | C3 | 123.0° | 120.0° |
| C1 | C2 | O25 | H10 | 118.7° | 120.0° |
| C1 | C2 | C3 | H10 | 118.1° | 119.9° |
| C1 | C2 | C3 | O24 | 177.4° | 180.0° |
| C2 | C1 | H8 | H9 | 118.7° | 120.0° |
| C1 | C2 | C3 | H11 | 61.6° | 60.0° |
| C1 | C2 | O25 | H18 | 180.0° | 60.0° |
| O25 | C2 | C3 | H10 | 119.1° | 120.0° |
| O25 | C2 | C3 | O24 | 54.6° | 60.0° |
| O25 | C2 | C1 | H8 | 173.1° | 180.0° |
| O25 | C2 | C1 | H9 | 54.0° | 60.0° |
| O25 | C2 | C3 | H11 | 175.6° | 180.0° |
| C2 | C3 | O24 | H11 | 120.2° | 120.0° |
| C2 | C3 | C4 | H1 | 64.5° | 60.0° |
| C3 | C2 | C1 | H8 | 64.5° | 60.0° |
| C3 | C2 | C1 | H9 | 176.4° | 180.0° |
| C2 | C3 | O24 | H17 | 59.7° | 60.0° |
| C3 | C2 | O25 | H18 | 57.0° | 180.0° |
| O24 | C3 | C4 | H1 | 55.4° | 60.0° |
| O24 | C3 | C2 | H10 | 64.5° | 60.0° |
| H1 | C4 | C5 | H2 | 53.7° | 180.0° |
| H1 | C4 | C5 | H3 | 172.4° | 60.0° |
| H1 | C4 | C3 | H11 | 175.9° | 180.0° |
| H4 | C15 | C14 | H14 | 179.4° | 180.0° |
| H6 | C20 | C21 | H7 | 0.0° | 0.0° |
| H8 | C1 | C2 | H10 | 53.7° | 59.9° |
| H9 | C1 | C2 | H10 | 65.5° | 60.1° |
| H10 | C2 | C3 | H11 | 56.5° | 60.0° |
| H10 | C2 | O25 | H18 | 61.4° | 60.0° |
| H11 | C3 | O24 | H17 | 60.5° | 60.0° |
