7EG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C21 | sing | 1.36Å | 1.41Å | |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.48Å | 1.53Å | |
| O01 | C02 | sing | 1.36Å | 1.41Å | |
| C05 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C08 | sing | 1.40Å | 1.40Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.48Å | 1.53Å | |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.41Å | 1.40Å | Aromatic |
| C15 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.47Å | 1.53Å | |
| C13 | O14 | sing | 1.36Å | 1.41Å | |
| C10 | N11 | doub | 1.30Å | 1.32Å | |
| N11 | O12 | sing | 1.42Å | 1.37Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| O12 | H7 | sing | 0.97Å | 0.95Å | |
| O14 | H8 | sing | 0.97Å | 0.95Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| O22 | H13 | sing | 0.97Å | 0.95Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C21 | C20 | 120.4° | 119.9° |
| O22 | C21 | C23 | 119.7° | 119.9° |
| C21 | O22 | H13 | 109.5° | 114.1° |
| C20 | C21 | C23 | 120.0° | 120.1° |
| C21 | C20 | C19 | 120.1° | 120.1° |
| C21 | C20 | H12 | 119.9° | 120.0° |
| C21 | C23 | C24 | 119.9° | 120.1° |
| C21 | C23 | H14 | 120.0° | 119.9° |
| C20 | C19 | C18 | 120.0° | 119.9° |
| C20 | C19 | H11 | 120.0° | 120.1° |
| C19 | C20 | H12 | 119.9° | 119.9° |
| C23 | C24 | C18 | 120.4° | 119.9° |
| C24 | C23 | H14 | 120.1° | 120.0° |
| C23 | C24 | H15 | 119.8° | 120.0° |
| C19 | C18 | C24 | 119.5° | 119.9° |
| C19 | C18 | C17 | 122.2° | 120.0° |
| C18 | C19 | H11 | 120.0° | 120.1° |
| C24 | C18 | C17 | 118.2° | 120.1° |
| C18 | C24 | H15 | 119.8° | 120.1° |
| C18 | C17 | C16 | 116.9° | 120.1° |
| C18 | C17 | C08 | 123.7° | 120.0° |
| O01 | C02 | C05 | 119.9° | 119.9° |
| O01 | C02 | C03 | 120.1° | 119.9° |
| C02 | O01 | H1 | 109.5° | 114.0° |
| C02 | C05 | C06 | 119.8° | 120.1° |
| C05 | C02 | C03 | 120.0° | 120.2° |
| C02 | C05 | H4 | 120.1° | 120.0° |
| C05 | C06 | C07 | 120.4° | 119.9° |
| C06 | C05 | H4 | 120.1° | 119.9° |
| C05 | C06 | H5 | 119.8° | 120.0° |
| C02 | C03 | C04 | 120.2° | 120.1° |
| C02 | C03 | H2 | 119.9° | 119.9° |
| C06 | C07 | C04 | 119.7° | 119.8° |
| C06 | C07 | C08 | 119.6° | 120.1° |
| C07 | C06 | H5 | 119.8° | 120.1° |
| C16 | C17 | C08 | 119.4° | 119.9° |
| C17 | C16 | C15 | 121.0° | 120.4° |
| C17 | C16 | H10 | 119.5° | 119.8° |
| C17 | C08 | C07 | 122.3° | 120.2° |
| C17 | C08 | C09 | 119.3° | 119.5° |
| C03 | C04 | C07 | 119.9° | 119.9° |
| C04 | C03 | H2 | 119.9° | 120.0° |
| C03 | C04 | H3 | 120.1° | 120.0° |
| C04 | C07 | C08 | 120.6° | 120.1° |
| C07 | C04 | H3 | 120.0° | 120.0° |
| C07 | C08 | C09 | 118.4° | 120.3° |
| C16 | C15 | C13 | 119.5° | 120.5° |
| C16 | C15 | H9 | 120.2° | 119.8° |
| C15 | C16 | H10 | 119.5° | 119.8° |
| C08 | C09 | C13 | 120.7° | 119.6° |
| C08 | C09 | C10 | 120.3° | 120.2° |
| C15 | C13 | C09 | 119.9° | 120.1° |
| C15 | C13 | O14 | 120.1° | 120.0° |
| C13 | C15 | H9 | 120.2° | 119.7° |
| C13 | C09 | C10 | 119.0° | 120.2° |
| C09 | C13 | O14 | 120.0° | 119.9° |
| C09 | C10 | N11 | 120.4° | 120.0° |
| C09 | C10 | H6 | 119.8° | 120.0° |
| C13 | O14 | H8 | 109.5° | 114.0° |
| C10 | N11 | O12 | 119.6° | 120.0° |
| N11 | C10 | H6 | 119.8° | 120.0° |
| N11 | O12 | H7 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C21 | C20 | C23 | 180.0° | 179.9° |
| O22 | C21 | C20 | C19 | 179.7° | 179.9° |
| O22 | C21 | C23 | C24 | 179.9° | 179.7° |
| O22 | C21 | C20 | H12 | 0.2° | 0.2° |
| O22 | C21 | C23 | H14 | 0.1° | 0.0° |
| C21 | C20 | C19 | H12 | 180.0° | 179.9° |
| C20 | C21 | C23 | C24 | 0.0° | 0.2° |
| C21 | C20 | C19 | C18 | 0.8° | 0.0° |
| C21 | C20 | C19 | H11 | 179.2° | 179.9° |
| C20 | C21 | O22 | H13 | 180.0° | 89.9° |
| C20 | C21 | C23 | H14 | 180.0° | 179.9° |
| C23 | C21 | C20 | C19 | 0.2° | 0.1° |
| C21 | C23 | C24 | H14 | 180.0° | 179.7° |
| C21 | C23 | C24 | C18 | 0.4° | 0.6° |
| C23 | C21 | C20 | H12 | 179.8° | 179.9° |
| C23 | C21 | O22 | H13 | 0.0° | 90.0° |
| C21 | C23 | C24 | H15 | 179.6° | 179.9° |
| C20 | C19 | C18 | H11 | 180.0° | 179.9° |
| C20 | C19 | C18 | C24 | 1.2° | 0.4° |
| C20 | C19 | C18 | C17 | 179.6° | 180.0° |
| C23 | C24 | C18 | C19 | 1.0° | 0.6° |
| C23 | C24 | C18 | H15 | 180.0° | 179.3° |
| C23 | C24 | C18 | C17 | 179.5° | 179.7° |
| C19 | C18 | C24 | C17 | 178.4° | 179.6° |
| C19 | C18 | C17 | C16 | 129.7° | 123.9° |
| C19 | C18 | C17 | C08 | 51.1° | 55.6° |
| C18 | C19 | C20 | H12 | 179.2° | 179.9° |
| C19 | C18 | C24 | H15 | 179.0° | 180.0° |
| C24 | C18 | C17 | C16 | 48.7° | 55.8° |
| C24 | C18 | C17 | C08 | 130.5° | 124.8° |
| C24 | C18 | C19 | H11 | 178.8° | 179.8° |
| C18 | C24 | C23 | H14 | 179.6° | 179.7° |
| C18 | C17 | C16 | C08 | 179.2° | 179.5° |
| C18 | C17 | C08 | C07 | 0.8° | 0.3° |
| C18 | C17 | C16 | C15 | 179.7° | 180.0° |
| C18 | C17 | C08 | C09 | 179.7° | 180.0° |
| C18 | C17 | C16 | H10 | 0.3° | 0.3° |
| C17 | C18 | C19 | H11 | 0.4° | 0.1° |
| C17 | C18 | C24 | H15 | 0.5° | 0.4° |
| O01 | C02 | C05 | C03 | 179.8° | 179.8° |
| O01 | C02 | C05 | C06 | 179.7° | 180.0° |
| O01 | C02 | C03 | C04 | 180.0° | 180.0° |
| O01 | C02 | C03 | H2 | 0.1° | 0.1° |
| O01 | C02 | C05 | H4 | 0.2° | 0.1° |
| C02 | C05 | C06 | H4 | 180.0° | 179.9° |
| C02 | C05 | C06 | C07 | 0.1° | 0.1° |
| C05 | C02 | C03 | C04 | 0.1° | 0.2° |
| C05 | C02 | O01 | H1 | 180.0° | 90.2° |
| C05 | C02 | C03 | H2 | 179.9° | 179.7° |
| C02 | C05 | C06 | H5 | 179.9° | 180.0° |
| C06 | C05 | C02 | C03 | 0.1° | 0.2° |
| C05 | C06 | C07 | H5 | 180.0° | 179.9° |
| C05 | C06 | C07 | C04 | 0.0° | 0.3° |
| C05 | C06 | C07 | C08 | 179.6° | 179.9° |
| C02 | C03 | C04 | H2 | 180.0° | 180.0° |
| C02 | C03 | C04 | C07 | 0.3° | 0.0° |
| C03 | C02 | O01 | H1 | 0.1° | 90.0° |
| C02 | C03 | C04 | H3 | 179.7° | 180.0° |
| C03 | C02 | C05 | H4 | 179.9° | 179.7° |
| C06 | C07 | C08 | C17 | 103.7° | 112.3° |
| C06 | C07 | C04 | C03 | 0.2° | 0.3° |
| C06 | C07 | C04 | C08 | 179.5° | 179.7° |
| C06 | C07 | C08 | C09 | 75.8° | 68.0° |
| C06 | C07 | C04 | H3 | 179.8° | 179.7° |
| C07 | C06 | C05 | H4 | 179.9° | 180.0° |
| C16 | C17 | C08 | C07 | 180.0° | 179.8° |
| C17 | C16 | C15 | H10 | 180.0° | 179.7° |
| C16 | C17 | C08 | C09 | 0.6° | 0.6° |
| C17 | C16 | C15 | C13 | 0.2° | 0.3° |
| C17 | C16 | C15 | H9 | 179.9° | 179.8° |
| C17 | C08 | C07 | C04 | 76.8° | 67.4° |
| C17 | C08 | C07 | C09 | 179.5° | 179.7° |
| C08 | C17 | C16 | C15 | 0.5° | 0.6° |
| C17 | C08 | C09 | C13 | 0.3° | 0.3° |
| C17 | C08 | C09 | C10 | 179.6° | 179.7° |
| C08 | C17 | C16 | H10 | 179.5° | 179.7° |
| C03 | C04 | C07 | H3 | 180.0° | 180.0° |
| C03 | C04 | C07 | C08 | 179.8° | 180.0° |
| C04 | C07 | C08 | C09 | 103.8° | 112.3° |
| C07 | C04 | C03 | H2 | 179.7° | 180.0° |
| C04 | C07 | C06 | H5 | 180.0° | 179.7° |
| C07 | C08 | C09 | C13 | 179.8° | 180.0° |
| C07 | C08 | C09 | C10 | 0.1° | 0.1° |
| C08 | C07 | C04 | H3 | 0.2° | 0.0° |
| C08 | C07 | C06 | H5 | 0.4° | 0.0° |
| C16 | C15 | C13 | H9 | 180.0° | 179.9° |
| C16 | C15 | C13 | C09 | 0.1° | 0.0° |
| C16 | C15 | C13 | O14 | 180.0° | 180.0° |
| C08 | C09 | C13 | C15 | 0.0° | 0.0° |
| C08 | C09 | C13 | C10 | 179.9° | 180.0° |
| C08 | C09 | C13 | O14 | 179.9° | 180.0° |
| C08 | C09 | C10 | N11 | 162.7° | 180.0° |
| C08 | C09 | C10 | H6 | 17.3° | 0.1° |
| C15 | C13 | C09 | O14 | 179.9° | 180.0° |
| C15 | C13 | C09 | C10 | 180.0° | 180.0° |
| C15 | C13 | O14 | H8 | 180.0° | 90.0° |
| C13 | C15 | C16 | H10 | 179.9° | 180.0° |
| C13 | C09 | C10 | N11 | 17.3° | 0.0° |
| C13 | C09 | C10 | H6 | 162.7° | 179.9° |
| C09 | C13 | O14 | H8 | 0.1° | 90.1° |
| C09 | C13 | C15 | H9 | 179.9° | 179.9° |
| C10 | C09 | C13 | O14 | 0.2° | 0.0° |
| C09 | C10 | N11 | H6 | 180.0° | 179.9° |
| C09 | C10 | N11 | O12 | 180.0° | 180.0° |
| O14 | C13 | C15 | H9 | 0.0° | 0.0° |
| C10 | N11 | O12 | H7 | 180.0° | 180.0° |
| O12 | N11 | C10 | H6 | 0.0° | 0.1° |
| H2 | C03 | C04 | H3 | 0.3° | 0.0° |
| H4 | C05 | C06 | H5 | 0.1° | 0.1° |
| H9 | C15 | C16 | H10 | 0.1° | 0.1° |
| H11 | C19 | C20 | H12 | 0.8° | 0.0° |
| H14 | C23 | C24 | H15 | 0.4° | 0.4° |
