A1H07
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C24 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C7 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.56Å | |
| C8 | N9 | sing | 1.47Å | 1.48Å | |
| O11 | C10 | doub | 1.22Å | 1.23Å | |
| C7 | C2 | sing | 1.52Å | 1.52Å | |
| C7 | N6 | sing | 1.47Å | 1.49Å | |
| N9 | C10 | sing | 1.35Å | 1.37Å | |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| C10 | C12 | sing | 1.48Å | 1.48Å | |
| C2 | N3 | sing | 1.35Å | 1.34Å | |
| N6 | C4 | sing | 1.34Å | 1.35Å | |
| C12 | N16 | doub | 1.32Å | 1.32Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| N3 | C4 | sing | 1.34Å | 1.32Å | |
| N16 | N15 | sing | 1.29Å | 1.30Å | Aromatic |
| C4 | O5 | doub | 1.22Å | 1.19Å | |
| C13 | N14 | doub | 1.31Å | 1.30Å | Aromatic |
| N15 | N14 | sing | 1.40Å | 1.41Å | Aromatic |
| N15 | C17 | sing | 1.40Å | 1.41Å | |
| C23 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | F20 | sing | 1.35Å | 1.34Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C23 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| N6 | H8 | sing | 0.97Å | 1.00Å | |
| N9 | H9 | sing | 0.97Å | 1.00Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C26 | C25 | 60.2° | 60.0° |
| C26 | C24 | C25 | 59.9° | 60.0° |
| C26 | C24 | C7 | 120.9° | 117.5° |
| C26 | C24 | H6 | 115.6° | 117.5° |
| C24 | C26 | H14 | 120.0° | 117.5° |
| C24 | C26 | H15 | 120.0° | 117.5° |
| C26 | C25 | C24 | 59.9° | 60.0° |
| C26 | C25 | H12 | 120.0° | 117.5° |
| C26 | C25 | H13 | 120.0° | 117.6° |
| C25 | C26 | H14 | 120.0° | 117.5° |
| C25 | C26 | H15 | 120.0° | 117.5° |
| C25 | C24 | C7 | 118.0° | 117.5° |
| C25 | C24 | H6 | 115.5° | 117.5° |
| C24 | C25 | H12 | 120.0° | 117.5° |
| C24 | C25 | H13 | 120.0° | 117.5° |
| C24 | C7 | C8 | 114.2° | 110.6° |
| C24 | C7 | C2 | 104.9° | 110.6° |
| C24 | C7 | N6 | 113.4° | 110.6° |
| C7 | C24 | H6 | 115.5° | 115.6° |
| C7 | C8 | N9 | 106.9° | 109.5° |
| C8 | C7 | C2 | 109.2° | 110.6° |
| C8 | C7 | N6 | 111.5° | 110.6° |
| C7 | C8 | H1 | 110.1° | 109.5° |
| C7 | C8 | H2 | 110.1° | 109.5° |
| C8 | N9 | C10 | 124.7° | 120.0° |
| N9 | C8 | H1 | 110.1° | 109.5° |
| N9 | C8 | H2 | 110.1° | 109.4° |
| C8 | N9 | H9 | 117.7° | 120.0° |
| O11 | C10 | N9 | 122.9° | 120.0° |
| O11 | C10 | C12 | 119.3° | 120.0° |
| C2 | C7 | N6 | 102.7° | 103.6° |
| C7 | C2 | O1 | 129.7° | 127.1° |
| C7 | C2 | N3 | 105.8° | 105.7° |
| C7 | N6 | C4 | 106.5° | 106.7° |
| C7 | N6 | H8 | 126.7° | 126.7° |
| N9 | C10 | C12 | 117.6° | 120.0° |
| C10 | N9 | H9 | 117.6° | 120.0° |
| O1 | C2 | N3 | 124.5° | 127.2° |
| C10 | C12 | N16 | 129.5° | 126.1° |
| C10 | C12 | C13 | 122.5° | 126.0° |
| C2 | N3 | C4 | 112.5° | 111.7° |
| C2 | N3 | H7 | 123.8° | 124.1° |
| N6 | C4 | N3 | 112.4° | 112.5° |
| N6 | C4 | O5 | 126.3° | 123.8° |
| C4 | N6 | H8 | 126.7° | 126.7° |
| N16 | C12 | C13 | 107.8° | 107.9° |
| C12 | N16 | N15 | 109.7° | 109.4° |
| C12 | C13 | N14 | 106.8° | 106.6° |
| C12 | C13 | H10 | 126.6° | 126.7° |
| N3 | C4 | O5 | 121.4° | 123.7° |
| C4 | N3 | H7 | 123.7° | 124.2° |
| N16 | N15 | N14 | 107.7° | 108.8° |
| N16 | N15 | C17 | 127.8° | 125.6° |
| C13 | N14 | N15 | 107.9° | 107.2° |
| N14 | C13 | H10 | 126.6° | 126.7° |
| N14 | N15 | C17 | 124.4° | 125.6° |
| N15 | C17 | C23 | 121.0° | 120.0° |
| N15 | C17 | C18 | 120.7° | 120.0° |
| C17 | C23 | C22 | 120.5° | 120.0° |
| C23 | C17 | C18 | 118.2° | 119.9° |
| C17 | C23 | H5 | 119.7° | 120.0° |
| C23 | C22 | C21 | 120.6° | 120.1° |
| C22 | C23 | H5 | 119.7° | 120.0° |
| C23 | C22 | H11 | 119.7° | 119.9° |
| C17 | C18 | C19 | 120.1° | 119.9° |
| C17 | C18 | H3 | 119.9° | 120.0° |
| C22 | C21 | C19 | 119.2° | 120.2° |
| C22 | C21 | H4 | 120.4° | 119.9° |
| C21 | C22 | H11 | 119.7° | 120.0° |
| C18 | C19 | C21 | 121.3° | 120.0° |
| C18 | C19 | F20 | 119.7° | 120.0° |
| C19 | C18 | H3 | 120.0° | 120.1° |
| C21 | C19 | F20 | 119.0° | 120.0° |
| C19 | C21 | H4 | 120.4° | 119.9° |
| H1 | C8 | H2 | 109.5° | 109.5° |
| H12 | C25 | H13 | 109.5° | 115.5° |
| H14 | C26 | H15 | 109.4° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C26 | C25 | H14 | 109.5° | 107.5° |
| C24 | C26 | C25 | H15 | 109.5° | 107.5° |
| C26 | C24 | C25 | C7 | 111.4° | 107.5° |
| C26 | C24 | C25 | H6 | 106.0° | 107.5° |
| C26 | C24 | C7 | H6 | 147.5° | 145.8° |
| C26 | C24 | C7 | C8 | 101.3° | 109.2° |
| C26 | C24 | C7 | C2 | 139.2° | 127.9° |
| C26 | C24 | C7 | N6 | 27.9° | 13.8° |
| C24 | C26 | C25 | H12 | 109.5° | 107.5° |
| C24 | C26 | C25 | H13 | 109.5° | 107.5° |
| C24 | C26 | H14 | H15 | 144.6° | 145.7° |
| C26 | C25 | H12 | H13 | 144.8° | 145.7° |
| C25 | C26 | H14 | H15 | 144.6° | 145.6° |
| C25 | C24 | C7 | H6 | 142.6° | 145.6° |
| C25 | C24 | C7 | C8 | 171.2° | 177.8° |
| C25 | C24 | C7 | C2 | 69.3° | 59.3° |
| C25 | C24 | C7 | N6 | 42.0° | 54.8° |
| C24 | C25 | H12 | H13 | 144.8° | 145.6° |
| C24 | C7 | C8 | C2 | 117.0° | 122.9° |
| C24 | C7 | C8 | N6 | 130.2° | 122.9° |
| C24 | C7 | C8 | N9 | 170.9° | 172.8° |
| C24 | C7 | C2 | N6 | 118.7° | 118.5° |
| C24 | C7 | C2 | O1 | 61.4° | 61.2° |
| C24 | C7 | C2 | N3 | 121.1° | 118.5° |
| C24 | C7 | N6 | C4 | 114.7° | 118.5° |
| C24 | C7 | C8 | H1 | 51.3° | 52.8° |
| C24 | C7 | C8 | H2 | 69.5° | 67.2° |
| C24 | C7 | N6 | H8 | 65.3° | 61.5° |
| C7 | C24 | C25 | H12 | 139.2° | 0.0° |
| C7 | C24 | C25 | H13 | 1.9° | 145.0° |
| C7 | C24 | C26 | H14 | 143.8° | 145.1° |
| C7 | C24 | C26 | H15 | 2.9° | 0.0° |
| C7 | C8 | N9 | H1 | 119.6° | 120.0° |
| C7 | C8 | N9 | H2 | 119.6° | 120.0° |
| C8 | C7 | C2 | N6 | 118.4° | 118.5° |
| C7 | C8 | N9 | C10 | 95.6° | 180.0° |
| C8 | C7 | C2 | O1 | 61.4° | 61.7° |
| C8 | C7 | C2 | N3 | 116.1° | 118.6° |
| C8 | C7 | N6 | C4 | 114.7° | 118.5° |
| C7 | C8 | H1 | H2 | 121.2° | 120.0° |
| C8 | C7 | C24 | H6 | 46.1° | 36.6° |
| C8 | C7 | N6 | H8 | 65.3° | 61.4° |
| C7 | C8 | N9 | H9 | 84.5° | 0.0° |
| C8 | N9 | C10 | O11 | 1.2° | 0.0° |
| N9 | C8 | C7 | C2 | 72.1° | 64.3° |
| N9 | C8 | C7 | N6 | 40.7° | 49.9° |
| C8 | N9 | C10 | H9 | 180.0° | 180.0° |
| C8 | N9 | C10 | C12 | 175.2° | 180.0° |
| N9 | C8 | H1 | H2 | 121.2° | 119.9° |
| O11 | C10 | N9 | C12 | 173.9° | 180.0° |
| O11 | C10 | C12 | N16 | 150.5° | 180.0° |
| O11 | C10 | C12 | C13 | 35.1° | 0.2° |
| O11 | C10 | N9 | H9 | 178.8° | 180.0° |
| C7 | C2 | O1 | N3 | 177.1° | 179.7° |
| C2 | C7 | N6 | C4 | 2.1° | 0.0° |
| C7 | C2 | N3 | C4 | 1.8° | 0.0° |
| C2 | C7 | C8 | H1 | 168.3° | 175.7° |
| C2 | C7 | C8 | H2 | 47.5° | 55.6° |
| C2 | C7 | C24 | H6 | 73.3° | 86.3° |
| C7 | C2 | N3 | H7 | 178.2° | 179.9° |
| C2 | C7 | N6 | H8 | 178.0° | 180.0° |
| N6 | C7 | C2 | O1 | 179.8° | 179.7° |
| N6 | C7 | C2 | N3 | 2.3° | 0.0° |
| C7 | N6 | C4 | H8 | 180.0° | 180.0° |
| C7 | N6 | C4 | N3 | 1.1° | 0.0° |
| C7 | N6 | C4 | O5 | 178.5° | 180.0° |
| N6 | C7 | C8 | H1 | 78.9° | 70.2° |
| N6 | C7 | C8 | H2 | 160.3° | 169.8° |
| N6 | C7 | C24 | H6 | 175.4° | 159.5° |
| N9 | C10 | C12 | N16 | 35.3° | 0.0° |
| N9 | C10 | C12 | C13 | 139.0° | 179.8° |
| C10 | N9 | C8 | H1 | 24.0° | 60.0° |
| C10 | N9 | C8 | H2 | 144.8° | 60.0° |
| O1 | C2 | N3 | C4 | 179.5° | 179.7° |
| O1 | C2 | N3 | H7 | 0.5° | 0.4° |
| C10 | C12 | N16 | C13 | 175.0° | 179.8° |
| C10 | C12 | N16 | N15 | 177.9° | 179.8° |
| C10 | C12 | C13 | N14 | 177.3° | 179.7° |
| C12 | C10 | N9 | H9 | 4.9° | 0.0° |
| C10 | C12 | C13 | H10 | 2.7° | 0.2° |
| C2 | N3 | C4 | N6 | 0.5° | 0.0° |
| C2 | N3 | C4 | H7 | 180.0° | 179.9° |
| C2 | N3 | C4 | O5 | 179.8° | 180.0° |
| N6 | C4 | N3 | O5 | 179.7° | 179.9° |
| N6 | C4 | N3 | H7 | 179.5° | 179.9° |
| N16 | C12 | C13 | N14 | 1.9° | 0.1° |
| C12 | N16 | N15 | N14 | 2.7° | 0.0° |
| C12 | N16 | N15 | C17 | 178.9° | 180.0° |
| N16 | C12 | C13 | H10 | 178.1° | 180.0° |
| C13 | C12 | N16 | N15 | 2.8° | 0.1° |
| C12 | C13 | N14 | H10 | 180.0° | 179.9° |
| C12 | C13 | N14 | N15 | 0.2° | 0.1° |
| N3 | C4 | N6 | H8 | 178.9° | 180.0° |
| N16 | N15 | N14 | C13 | 1.5° | 0.0° |
| N16 | N15 | N14 | C17 | 176.4° | 180.0° |
| N16 | N15 | C17 | C23 | 13.3° | 0.2° |
| N16 | N15 | C17 | C18 | 170.1° | 180.0° |
| O5 | C4 | N3 | H7 | 0.2° | 0.1° |
| O5 | C4 | N6 | H8 | 1.4° | 0.1° |
| C13 | N14 | N15 | C17 | 177.9° | 180.0° |
| N14 | N15 | C17 | C23 | 162.4° | 179.8° |
| N14 | N15 | C17 | C18 | 14.3° | 0.0° |
| N15 | N14 | C13 | H10 | 179.7° | 180.0° |
| N15 | C17 | C23 | C18 | 176.7° | 179.8° |
| N15 | C17 | C23 | C22 | 178.9° | 179.7° |
| N15 | C17 | C18 | C19 | 178.4° | 179.7° |
| N15 | C17 | C18 | H3 | 1.6° | 0.3° |
| N15 | C17 | C23 | H5 | 1.1° | 0.2° |
| C17 | C23 | C22 | H5 | 180.0° | 180.0° |
| C17 | C23 | C22 | C21 | 1.4° | 0.0° |
| C23 | C17 | C18 | C19 | 1.6° | 0.0° |
| C23 | C17 | C18 | H3 | 178.3° | 179.9° |
| C17 | C23 | C22 | H11 | 178.6° | 180.0° |
| C22 | C23 | C17 | C18 | 2.2° | 0.0° |
| C23 | C22 | C21 | H11 | 180.0° | 180.0° |
| C23 | C22 | C21 | C19 | 0.1° | 0.0° |
| C23 | C22 | C21 | H4 | 179.9° | 180.0° |
| C17 | C18 | C19 | H3 | 180.0° | 179.9° |
| C17 | C18 | C19 | C21 | 0.2° | 0.0° |
| C17 | C18 | C19 | F20 | 179.1° | 180.0° |
| C18 | C17 | C23 | H5 | 177.8° | 180.0° |
| C22 | C21 | C19 | C18 | 0.6° | 0.0° |
| C22 | C21 | C19 | H4 | 180.0° | 180.0° |
| C22 | C21 | C19 | F20 | 180.0° | 180.0° |
| C21 | C22 | C23 | H5 | 178.6° | 180.0° |
| C18 | C19 | C21 | F20 | 179.3° | 180.0° |
| C18 | C19 | C21 | H4 | 179.3° | 180.0° |
| C21 | C19 | C18 | H3 | 179.7° | 179.9° |
| C19 | C21 | C22 | H11 | 180.0° | 180.0° |
| F20 | C19 | C18 | H3 | 0.9° | 0.1° |
| F20 | C19 | C21 | H4 | 0.0° | 0.0° |
| H1 | C8 | N9 | H9 | 155.9° | 120.0° |
| H2 | C8 | N9 | H9 | 35.2° | 120.0° |
| H4 | C21 | C22 | H11 | 0.1° | 0.0° |
| H5 | C23 | C22 | H11 | 1.4° | 0.0° |
| H6 | C24 | C25 | H12 | 3.4° | 144.9° |
| H6 | C24 | C25 | H13 | 144.5° | 0.0° |
| H6 | C24 | C26 | H14 | 3.6° | 0.0° |
| H6 | C24 | C26 | H15 | 144.5° | 145.1° |
| H12 | C25 | C26 | H14 | 0.1° | 145.0° |
| H12 | C25 | C26 | H15 | 141.0° | 0.0° |
| H13 | C25 | C26 | H14 | 141.0° | 0.1° |
| H13 | C25 | C26 | H15 | 0.1° | 145.0° |
