5G7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C17 | N16 | sing | 1.37Å | 1.43Å | |
| N16 | C08 | doub | 1.31Å | 1.32Å | |
| O13 | C12 | sing | 1.36Å | 1.41Å | |
| C12 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C09 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.48Å | 1.52Å | |
| C08 | C07 | sing | 1.48Å | 1.52Å | |
| C07 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.41Å | |
| 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 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| O13 | H9 | sing | 0.97Å | 0.95Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C20 | 119.7° | 120.3° |
| C21 | C22 | C23 | 120.1° | 120.2° |
| C22 | C21 | H17 | 120.1° | 119.8° |
| C21 | C22 | H18 | 120.0° | 119.9° |
| C21 | C20 | C18 | 120.2° | 120.2° |
| C21 | C20 | H16 | 119.9° | 119.9° |
| C20 | C21 | H17 | 120.2° | 119.9° |
| C22 | C23 | C17 | 120.3° | 119.8° |
| C23 | C22 | H18 | 119.9° | 119.9° |
| C22 | C23 | H19 | 119.9° | 120.0° |
| C20 | C18 | C17 | 120.2° | 119.9° |
| C20 | C18 | C19 | 119.7° | 120.1° |
| C18 | C20 | H16 | 119.9° | 119.9° |
| C23 | C17 | C18 | 119.6° | 119.7° |
| C23 | C17 | N16 | 120.7° | 120.1° |
| C17 | C23 | H19 | 119.8° | 120.1° |
| C17 | C18 | C19 | 120.1° | 120.1° |
| C18 | C17 | N16 | 119.7° | 120.2° |
| C18 | C19 | H13 | 109.5° | 109.5° |
| C18 | C19 | H14 | 109.5° | 109.5° |
| C18 | C19 | H15 | 109.5° | 109.5° |
| C17 | N16 | C08 | 124.8° | 120.0° |
| N16 | C08 | C09 | 121.3° | 120.0° |
| N16 | C08 | C07 | 116.8° | 120.0° |
| O13 | C12 | C14 | 120.0° | 119.9° |
| O13 | C12 | C11 | 120.0° | 119.9° |
| C12 | O13 | H9 | 109.5° | 114.0° |
| C14 | C12 | C11 | 120.0° | 120.2° |
| C12 | C14 | C15 | 120.0° | 120.1° |
| C12 | C14 | H10 | 120.0° | 120.0° |
| C12 | C11 | C10 | 120.0° | 120.1° |
| C12 | C11 | H8 | 120.0° | 120.0° |
| C14 | C15 | C09 | 120.1° | 119.9° |
| C15 | C14 | H10 | 120.0° | 120.0° |
| C14 | C15 | H11 | 120.0° | 120.1° |
| C11 | C10 | C09 | 120.0° | 119.9° |
| C11 | C10 | H7 | 120.0° | 120.0° |
| C10 | C11 | H8 | 120.0° | 119.9° |
| C15 | C09 | C10 | 119.9° | 119.8° |
| C15 | C09 | C08 | 120.1° | 120.1° |
| C09 | C15 | H11 | 119.9° | 120.0° |
| C10 | C09 | C08 | 120.0° | 120.1° |
| C09 | C10 | H7 | 120.0° | 120.1° |
| C09 | C08 | C07 | 118.0° | 120.0° |
| C08 | C07 | C04 | 119.2° | 120.1° |
| C08 | C07 | C06 | 120.8° | 120.1° |
| C04 | C07 | C06 | 120.0° | 119.8° |
| C07 | C04 | C03 | 120.1° | 119.9° |
| C07 | C04 | H3 | 120.0° | 120.0° |
| C07 | C06 | C05 | 119.9° | 119.9° |
| C07 | C06 | H5 | 120.1° | 120.0° |
| C04 | C03 | C02 | 119.9° | 120.0° |
| C04 | C03 | H2 | 120.0° | 120.0° |
| C03 | C04 | H3 | 119.9° | 120.0° |
| C06 | C05 | C02 | 119.9° | 120.1° |
| C06 | C05 | H4 | 120.0° | 120.0° |
| C05 | C06 | H5 | 120.1° | 120.0° |
| C03 | C02 | C05 | 120.2° | 120.2° |
| C03 | C02 | O01 | 119.7° | 119.9° |
| C02 | C03 | H2 | 120.1° | 120.0° |
| C05 | C02 | O01 | 120.1° | 120.0° |
| C02 | C05 | H4 | 120.0° | 119.9° |
| C02 | O01 | H1 | 109.5° | 114.0° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H13 | C19 | H15 | 109.4° | 109.4° |
| H14 | C19 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C20 | H17 | 180.0° | 179.7° |
| C21 | C22 | C23 | H18 | 180.0° | 179.7° |
| C22 | C21 | C20 | C18 | 0.0° | 0.1° |
| C21 | C22 | C23 | C17 | 0.6° | 0.6° |
| C22 | C21 | C20 | H16 | 180.0° | 180.0° |
| C21 | C22 | C23 | H19 | 179.4° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.3° |
| C21 | C20 | C18 | H16 | 180.0° | 179.9° |
| C21 | C20 | C18 | C17 | 0.4° | 0.1° |
| C21 | C20 | C18 | C19 | 179.9° | 180.0° |
| C20 | C21 | C22 | H18 | 179.9° | 180.0° |
| C22 | C23 | C17 | H19 | 180.0° | 179.4° |
| C22 | C23 | C17 | C18 | 1.0° | 0.6° |
| C22 | C23 | C17 | N16 | 179.4° | 179.7° |
| C23 | C22 | C21 | H17 | 179.9° | 180.0° |
| C20 | C18 | C17 | C23 | 0.9° | 0.3° |
| C20 | C18 | C17 | C19 | 179.7° | 180.0° |
| C20 | C18 | C17 | N16 | 179.3° | 180.0° |
| C20 | C18 | C19 | H13 | 90.1° | 90.0° |
| C20 | C18 | C19 | H14 | 149.8° | 30.0° |
| C20 | C18 | C19 | H15 | 29.8° | 150.1° |
| C18 | C20 | C21 | H17 | 180.0° | 179.7° |
| C23 | C17 | C18 | N16 | 178.5° | 179.7° |
| C23 | C17 | C18 | C19 | 179.5° | 179.7° |
| C23 | C17 | N16 | C08 | 72.5° | 52.1° |
| C17 | C23 | C22 | H18 | 179.4° | 179.7° |
| C18 | C17 | N16 | C08 | 109.0° | 127.6° |
| C17 | C18 | C19 | H13 | 90.2° | 90.0° |
| C17 | C18 | C19 | H14 | 29.8° | 150.0° |
| C17 | C18 | C19 | H15 | 149.8° | 30.0° |
| C17 | C18 | C20 | H16 | 179.6° | 180.0° |
| C18 | C17 | C23 | H19 | 179.1° | 180.0° |
| C19 | C18 | C17 | N16 | 1.0° | 0.0° |
| C18 | C19 | H13 | H14 | 120.0° | 120.0° |
| C18 | C19 | H13 | H15 | 120.0° | 120.0° |
| C18 | C19 | H14 | H15 | 120.0° | 120.0° |
| C19 | C18 | C20 | H16 | 0.1° | 0.0° |
| C17 | N16 | C08 | C09 | 26.2° | 7.0° |
| C17 | N16 | C08 | C07 | 176.4° | 173.0° |
| N16 | C17 | C23 | H19 | 0.6° | 0.3° |
| N16 | C08 | C09 | C15 | 93.9° | 136.1° |
| N16 | C08 | C09 | C10 | 86.3° | 44.2° |
| N16 | C08 | C09 | C07 | 157.1° | 180.0° |
| N16 | C08 | C07 | C04 | 3.1° | 9.7° |
| N16 | C08 | C07 | C06 | 177.3° | 170.1° |
| O13 | C12 | C14 | C11 | 179.9° | 179.9° |
| O13 | C12 | C14 | C15 | 180.0° | 180.0° |
| O13 | C12 | C11 | C10 | 180.0° | 179.8° |
| O13 | C12 | C11 | H8 | 0.0° | 0.1° |
| O13 | C12 | C14 | H10 | 0.0° | 0.2° |
| C12 | C14 | C15 | H10 | 180.0° | 179.8° |
| C14 | C12 | C11 | C10 | 0.1° | 0.1° |
| C12 | C14 | C15 | C09 | 0.1° | 0.5° |
| C14 | C12 | C11 | H8 | 179.9° | 180.0° |
| C14 | C12 | O13 | H9 | 180.0° | 90.1° |
| C12 | C14 | C15 | H11 | 179.9° | 179.9° |
| C11 | C12 | C14 | C15 | 0.1° | 0.2° |
| C12 | C11 | C10 | H8 | 180.0° | 179.9° |
| C12 | C11 | C10 | C09 | 0.1° | 0.1° |
| C12 | C11 | C10 | H7 | 179.9° | 179.9° |
| C11 | C12 | O13 | H9 | 0.1° | 89.8° |
| C11 | C12 | C14 | H10 | 179.9° | 180.0° |
| C14 | C15 | C09 | H11 | 180.0° | 179.5° |
| C14 | C15 | C09 | C10 | 0.1° | 0.5° |
| C14 | C15 | C09 | C08 | 179.8° | 179.8° |
| C11 | C10 | C09 | C15 | 0.1° | 0.3° |
| C11 | C10 | C09 | H7 | 180.0° | 180.0° |
| C11 | C10 | C09 | C08 | 179.8° | 179.9° |
| C15 | C09 | C10 | C08 | 179.8° | 179.7° |
| C15 | C09 | C08 | C07 | 63.2° | 43.8° |
| C15 | C09 | C10 | H7 | 180.0° | 179.8° |
| C09 | C15 | C14 | H10 | 179.9° | 179.7° |
| C10 | C09 | C08 | C07 | 116.6° | 135.8° |
| C09 | C10 | C11 | H8 | 179.9° | 180.0° |
| C10 | C09 | C15 | H11 | 179.9° | 180.0° |
| C09 | C08 | C07 | C04 | 155.0° | 170.2° |
| C09 | C08 | C07 | C06 | 24.6° | 10.0° |
| C08 | C09 | C10 | H7 | 0.2° | 0.1° |
| C08 | C09 | C15 | H11 | 0.1° | 0.3° |
| C08 | C07 | C04 | C06 | 179.6° | 179.8° |
| C08 | C07 | C04 | C03 | 179.8° | 180.0° |
| C08 | C07 | C06 | C05 | 179.7° | 180.0° |
| C08 | C07 | C04 | H3 | 0.2° | 0.0° |
| C08 | C07 | C06 | H5 | 0.2° | 0.1° |
| C07 | C04 | C03 | H3 | 180.0° | 179.9° |
| C04 | C07 | C06 | C05 | 0.1° | 0.2° |
| C07 | C04 | C03 | C02 | 0.1° | 0.0° |
| C07 | C04 | C03 | H2 | 179.9° | 180.0° |
| C04 | C07 | C06 | H5 | 179.9° | 179.7° |
| C06 | C07 | C04 | C03 | 0.2° | 0.2° |
| C07 | C06 | C05 | H5 | 180.0° | 179.9° |
| C07 | C06 | C05 | C02 | 0.0° | 0.0° |
| C06 | C07 | C04 | H3 | 179.8° | 179.8° |
| C07 | C06 | C05 | H4 | 180.0° | 180.0° |
| C04 | C03 | C02 | H2 | 180.0° | 180.0° |
| C04 | C03 | C02 | C05 | 0.0° | 0.3° |
| C04 | C03 | C02 | O01 | 180.0° | 180.0° |
| C06 | C05 | C02 | C03 | 0.1° | 0.3° |
| C06 | C05 | C02 | H4 | 180.0° | 180.0° |
| C06 | C05 | C02 | O01 | 179.9° | 180.0° |
| C03 | C02 | C05 | O01 | 180.0° | 179.8° |
| C03 | C02 | O01 | H1 | 180.0° | 90.0° |
| C02 | C03 | C04 | H3 | 179.9° | 179.9° |
| C03 | C02 | C05 | H4 | 179.9° | 179.7° |
| C05 | C02 | O01 | H1 | 0.0° | 90.2° |
| C05 | C02 | C03 | H2 | 180.0° | 179.7° |
| C02 | C05 | C06 | H5 | 180.0° | 180.0° |
| O01 | C02 | C03 | H2 | 0.0° | 0.0° |
| O01 | C02 | C05 | H4 | 0.1° | 0.0° |
| H2 | C03 | C04 | H3 | 0.1° | 0.1° |
| H4 | C05 | C06 | H5 | 0.0° | 0.0° |
| H7 | C10 | C11 | H8 | 0.0° | 0.0° |
| H10 | C14 | C15 | H11 | 0.1° | 0.3° |
| H13 | C19 | H14 | H15 | 119.9° | 120.0° |
| H16 | C20 | C21 | H17 | 0.0° | 0.2° |
| H17 | C21 | C22 | H18 | 0.1° | 0.3° |
| H18 | C22 | C23 | H19 | 0.6° | 0.3° |
