A1EF7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C04 | doub | 1.38Å | 1.41Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| SE01 | C02 | sing | 1.96Å | 1.94Å | |
| C02 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.48Å | 1.55Å | |
| C08 | O18 | doub | 1.22Å | 1.19Å | |
| C08 | N09 | sing | 1.35Å | 1.42Å | |
| C17 | O16 | sing | 1.43Å | 1.39Å | |
| N09 | C10 | sing | 1.40Å | 1.44Å | |
| O16 | C15 | sing | 1.36Å | 1.39Å | |
| C10 | C15 | doub | 1.39Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| N09 | H12 | sing | 0.97Å | 1.00Å | |
| SE01 | H13 | sing | 1.56Å | 1.46Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C03 | C02 | 119.2° | 120.1° |
| C03 | C04 | C05 | 120.8° | 120.3° |
| C04 | C03 | H5 | 120.4° | 119.9° |
| C03 | C04 | H6 | 119.6° | 119.8° |
| C03 | C02 | SE01 | 123.6° | 120.1° |
| C03 | C02 | C07 | 121.0° | 119.9° |
| C02 | C03 | H5 | 120.4° | 120.0° |
| C04 | C05 | C06 | 118.8° | 120.1° |
| C05 | C04 | H6 | 119.6° | 119.9° |
| C04 | C05 | H7 | 120.6° | 119.9° |
| SE01 | C02 | C07 | 115.4° | 120.1° |
| C02 | SE01 | H13 | 109.5° | 101.0° |
| C02 | C07 | C06 | 118.7° | 119.7° |
| C02 | C07 | C08 | 120.1° | 120.2° |
| C05 | C06 | C07 | 121.6° | 119.9° |
| C06 | C05 | H7 | 120.6° | 120.0° |
| C05 | C06 | H8 | 119.2° | 120.1° |
| C06 | C07 | C08 | 121.1° | 120.1° |
| C07 | C06 | H8 | 119.2° | 120.1° |
| C07 | C08 | O18 | 127.2° | 120.0° |
| C07 | C08 | N09 | 117.2° | 120.0° |
| O18 | C08 | N09 | 115.6° | 120.0° |
| C08 | N09 | C10 | 123.3° | 120.0° |
| C08 | N09 | H12 | 118.3° | 120.0° |
| C17 | O16 | C15 | 116.9° | 117.0° |
| O16 | C17 | H1 | 109.5° | 109.5° |
| O16 | C17 | H2 | 109.5° | 109.5° |
| O16 | C17 | H3 | 109.4° | 109.5° |
| N09 | C10 | C15 | 112.7° | 120.1° |
| N09 | C10 | C11 | 124.4° | 120.1° |
| C10 | N09 | H12 | 118.4° | 120.0° |
| O16 | C15 | C10 | 116.0° | 120.0° |
| O16 | C15 | C14 | 124.7° | 120.1° |
| C15 | C10 | C11 | 122.8° | 119.8° |
| C10 | C15 | C14 | 119.4° | 119.8° |
| C10 | C11 | C12 | 118.2° | 120.0° |
| C10 | C11 | H9 | 120.9° | 120.0° |
| C15 | C14 | C13 | 118.2° | 120.0° |
| C15 | C14 | H4 | 120.9° | 119.9° |
| C11 | C12 | C13 | 119.0° | 120.2° |
| C12 | C11 | H9 | 120.9° | 120.0° |
| C11 | C12 | H10 | 120.5° | 119.9° |
| C14 | C13 | C12 | 122.5° | 120.2° |
| C13 | C14 | H4 | 120.9° | 120.0° |
| C14 | C13 | H11 | 118.8° | 119.9° |
| C13 | C12 | H10 | 120.5° | 119.9° |
| C12 | C13 | H11 | 118.7° | 119.9° |
| H1 | C17 | H2 | 109.5° | 109.5° |
| H1 | C17 | H3 | 109.5° | 109.4° |
| H2 | C17 | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C03 | C02 | H5 | 180.0° | 180.0° |
| C03 | C04 | C05 | H6 | 180.0° | 180.0° |
| C04 | C03 | C02 | SE01 | 179.8° | 179.7° |
| C04 | C03 | C02 | C07 | 0.0° | 0.0° |
| C03 | C04 | C05 | C06 | 0.0° | 0.1° |
| C03 | C04 | C05 | H7 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.3° | 0.0° |
| C03 | C02 | SE01 | C07 | 179.8° | 179.7° |
| C03 | C02 | C07 | C06 | 0.4° | 0.0° |
| C03 | C02 | C07 | C08 | 179.2° | 180.0° |
| C02 | C03 | C04 | H6 | 179.7° | 179.9° |
| C03 | C02 | SE01 | H13 | 180.0° | 89.7° |
| C04 | C05 | C06 | H7 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 0.4° | 0.1° |
| C05 | C04 | C03 | H5 | 179.7° | 180.0° |
| C04 | C05 | C06 | H8 | 179.5° | 180.0° |
| SE01 | C02 | C07 | C06 | 179.4° | 179.8° |
| SE01 | C02 | C07 | C08 | 0.6° | 0.3° |
| SE01 | C02 | C03 | H5 | 0.2° | 0.3° |
| C02 | C07 | C06 | C05 | 0.7° | 0.1° |
| C02 | C07 | C06 | C08 | 178.7° | 179.9° |
| C02 | C07 | C08 | O18 | 27.0° | 0.1° |
| C02 | C07 | C08 | N09 | 153.9° | 180.0° |
| C07 | C02 | C03 | H5 | 180.0° | 180.0° |
| C02 | C07 | C06 | H8 | 179.3° | 180.0° |
| C07 | C02 | SE01 | H13 | 0.2° | 90.0° |
| C05 | C06 | C07 | H8 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 179.4° | 180.0° |
| C06 | C05 | C04 | H6 | 180.0° | 179.9° |
| C06 | C07 | C08 | O18 | 151.7° | 180.0° |
| C06 | C07 | C08 | N09 | 27.5° | 0.1° |
| C07 | C06 | C05 | H7 | 179.5° | 180.0° |
| C07 | C08 | O18 | N09 | 179.2° | 180.0° |
| C07 | C08 | N09 | C10 | 178.0° | 175.6° |
| C08 | C07 | C06 | H8 | 0.6° | 0.1° |
| C07 | C08 | N09 | H12 | 2.0° | 4.4° |
| O18 | C08 | N09 | C10 | 1.3° | 4.5° |
| O18 | C08 | N09 | H12 | 178.7° | 175.5° |
| C08 | N09 | C10 | H12 | 180.0° | 180.0° |
| C08 | N09 | C10 | C15 | 159.8° | 145.6° |
| C08 | N09 | C10 | C11 | 23.4° | 34.6° |
| C17 | O16 | C15 | C10 | 152.8° | 180.0° |
| C17 | O16 | C15 | C14 | 27.7° | 0.0° |
| O16 | C17 | H1 | H2 | 120.0° | 120.0° |
| O16 | C17 | H1 | H3 | 120.0° | 120.0° |
| O16 | C17 | H2 | H3 | 120.0° | 120.0° |
| N09 | C10 | C15 | O16 | 1.7° | 0.2° |
| N09 | C10 | C15 | C11 | 176.8° | 179.8° |
| N09 | C10 | C15 | C14 | 177.8° | 179.8° |
| N09 | C10 | C11 | C12 | 178.0° | 179.8° |
| N09 | C10 | C11 | H9 | 2.0° | 0.2° |
| O16 | C15 | C10 | C14 | 179.5° | 180.0° |
| O16 | C15 | C10 | C11 | 178.6° | 180.0° |
| O16 | C15 | C14 | C13 | 178.9° | 180.0° |
| C15 | O16 | C17 | H1 | 180.0° | 180.0° |
| C15 | O16 | C17 | H2 | 60.0° | 60.0° |
| C15 | O16 | C17 | H3 | 60.0° | 60.0° |
| O16 | C15 | C14 | H4 | 1.1° | 0.0° |
| C15 | C10 | C11 | C12 | 1.6° | 0.0° |
| C10 | C15 | C14 | C13 | 0.5° | 0.0° |
| C10 | C15 | C14 | H4 | 179.5° | 180.0° |
| C15 | C10 | C11 | H9 | 178.4° | 180.0° |
| C15 | C10 | N09 | H12 | 20.2° | 34.4° |
| C11 | C10 | C15 | C14 | 0.9° | 0.0° |
| C10 | C11 | C12 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 1.8° | 0.0° |
| C10 | C11 | C12 | H10 | 178.2° | 179.9° |
| C11 | C10 | N09 | H12 | 156.6° | 145.4° |
| C15 | C14 | C13 | H4 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.8° | 0.0° |
| C15 | C14 | C13 | H11 | 179.2° | 180.0° |
| C11 | C12 | C13 | C14 | 1.5° | 0.1° |
| C11 | C12 | C13 | H10 | 180.0° | 179.9° |
| C11 | C12 | C13 | H11 | 178.5° | 180.0° |
| C14 | C13 | C12 | H11 | 180.0° | 180.0° |
| C14 | C13 | C12 | H10 | 178.5° | 179.9° |
| C12 | C13 | C14 | H4 | 179.2° | 179.9° |
| C13 | C12 | C11 | H9 | 178.2° | 179.9° |
| H1 | C17 | H2 | H3 | 120.0° | 119.9° |
| H4 | C14 | C13 | H11 | 0.8° | 0.0° |
| H5 | C03 | C04 | H6 | 0.3° | 0.1° |
| H6 | C04 | C05 | H7 | 0.0° | 0.0° |
| H7 | C05 | C06 | H8 | 0.5° | 0.0° |
| H9 | C11 | C12 | H10 | 1.8° | 0.0° |
| H10 | C12 | C13 | H11 | 1.5° | 0.1° |
