F63
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | O1 | sing | 1.36Å | 1.37Å | |
| C8 | O1 | sing | 1.36Å | 1.33Å | |
| C7 | N2 | doub | 1.32Å | 1.36Å | Aromatic |
| N2 | C3 | sing | 1.32Å | 1.36Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | C8 | doub | 1.35Å | 1.38Å | Aromatic |
| C8 | O9 | sing | 1.34Å | 1.37Å | Aromatic |
| C10 | O9 | sing | 1.35Å | 1.37Å | Aromatic |
| C11 | C10 | doub | 1.34Å | 1.38Å | Aromatic |
| C10 | C13 | sing | 1.51Å | 1.49Å | |
| C12 | C11 | sing | 1.41Å | 1.42Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N14 | C13 | sing | 1.47Å | 1.46Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | N14 | sing | 1.47Å | 1.46Å | |
| N14 | HN14 | sing | 1.01Å | 1.00Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | O1 | C8 | 120.9° | 118.0° |
| O1 | C4 | C3 | 117.7° | 120.5° |
| O1 | C4 | C5 | 122.8° | 120.5° |
| O1 | C8 | C12 | 133.0° | 125.9° |
| O1 | C8 | O9 | 116.1° | 125.8° |
| C7 | N2 | C3 | 117.1° | 121.8° |
| N2 | C7 | C6 | 123.6° | 120.9° |
| N2 | C7 | H7 | 118.2° | 119.6° |
| N2 | C3 | C4 | 123.0° | 120.7° |
| N2 | C3 | H3 | 118.5° | 119.6° |
| C4 | C3 | H3 | 118.5° | 119.6° |
| C3 | C4 | C5 | 118.8° | 119.0° |
| C4 | C5 | C6 | 119.1° | 118.4° |
| C4 | C5 | H5 | 120.4° | 120.8° |
| C6 | C5 | H5 | 120.5° | 120.8° |
| C5 | C6 | C7 | 118.3° | 119.2° |
| C5 | C6 | H6 | 120.9° | 120.4° |
| C7 | C6 | H6 | 120.8° | 120.3° |
| C6 | C7 | H7 | 118.2° | 119.5° |
| C12 | C8 | O9 | 110.9° | 108.3° |
| C8 | C12 | C11 | 106.0° | 106.8° |
| C8 | C12 | H12 | 127.0° | 126.6° |
| C8 | O9 | C10 | 106.1° | 109.5° |
| O9 | C10 | C11 | 110.4° | 108.5° |
| O9 | C10 | C13 | 115.2° | 125.7° |
| C11 | C10 | C13 | 133.8° | 125.8° |
| C10 | C11 | C12 | 106.4° | 106.9° |
| C10 | C11 | H11 | 126.8° | 126.5° |
| C10 | C13 | N14 | 110.3° | 109.4° |
| C10 | C13 | H13 | 109.2° | 109.5° |
| C10 | C13 | H13A | 109.2° | 109.5° |
| C12 | C11 | H11 | 126.8° | 126.6° |
| C11 | C12 | H12 | 127.0° | 126.6° |
| N14 | C13 | H13 | 109.2° | 109.5° |
| N14 | C13 | H13A | 109.2° | 109.4° |
| C13 | N14 | C15 | 110.4° | 111.0° |
| C13 | N14 | HN14 | 109.1° | 111.0° |
| H13 | C13 | H13A | 109.8° | 109.5° |
| C15 | N14 | HN14 | 109.1° | 111.0° |
| N14 | C15 | H15 | 109.5° | 109.5° |
| N14 | C15 | H15A | 109.4° | 109.4° |
| N14 | C15 | H15B | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.4° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C4 | C3 | N2 | 172.1° | 180.0° |
| O1 | C4 | C3 | C5 | 170.4° | 180.0° |
| O1 | C4 | C3 | H3 | 8.0° | 0.0° |
| O1 | C4 | C5 | C6 | 174.1° | 180.0° |
| O1 | C4 | C5 | H5 | 5.9° | 0.1° |
| C4 | O1 | C8 | C12 | 115.7° | 173.6° |
| C4 | O1 | C8 | O9 | 66.4° | 6.2° |
| C8 | O1 | C4 | C3 | 167.8° | 170.7° |
| C8 | O1 | C4 | C5 | 2.2° | 9.3° |
| O1 | C8 | C12 | O9 | 178.0° | 179.8° |
| O1 | C8 | O9 | C10 | 177.4° | 180.0° |
| O1 | C8 | C12 | C11 | 179.2° | 179.9° |
| O1 | C8 | C12 | H12 | 0.8° | 0.1° |
| C7 | N2 | C3 | C4 | 2.5° | 0.1° |
| C7 | N2 | C3 | H3 | 177.5° | 180.0° |
| N2 | C7 | C6 | C5 | 1.7° | 0.0° |
| N2 | C7 | C6 | H7 | 180.0° | 179.9° |
| N2 | C7 | C6 | H6 | 178.3° | 180.0° |
| N2 | C3 | C4 | H3 | 180.0° | 180.0° |
| N2 | C3 | C4 | C5 | 1.7° | 0.0° |
| C3 | N2 | C7 | C6 | 4.3° | 0.1° |
| C3 | N2 | C7 | H7 | 175.8° | 180.0° |
| C3 | C4 | C5 | C6 | 4.2° | 0.0° |
| C3 | C4 | C5 | H5 | 175.8° | 179.9° |
| H3 | C3 | C4 | C5 | 178.4° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 2.6° | 0.0° |
| C4 | C5 | C6 | H6 | 177.4° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | H7 | 178.3° | 179.9° |
| H5 | C5 | C6 | C7 | 177.4° | 179.9° |
| H5 | C5 | C6 | H6 | 2.6° | 0.1° |
| H6 | C6 | C7 | H7 | 1.7° | 0.1° |
| C12 | C8 | O9 | C10 | 4.2° | 0.2° |
| C8 | C12 | C11 | C10 | 0.3° | 0.3° |
| C8 | C12 | C11 | H12 | 180.0° | 179.9° |
| C8 | C12 | C11 | H11 | 179.7° | 179.9° |
| C8 | O9 | C10 | C11 | 3.9° | 0.0° |
| C8 | O9 | C10 | C13 | 175.8° | 179.9° |
| O9 | C8 | C12 | C11 | 2.8° | 0.3° |
| O9 | C8 | C12 | H12 | 177.2° | 179.7° |
| O9 | C10 | C11 | C13 | 169.8° | 179.9° |
| O9 | C10 | C11 | C12 | 2.3° | 0.2° |
| O9 | C10 | C11 | H11 | 177.8° | 180.0° |
| O9 | C10 | C13 | N14 | 104.0° | 90.1° |
| O9 | C10 | C13 | H13 | 136.0° | 30.0° |
| O9 | C10 | C13 | H13A | 16.0° | 150.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.8° |
| C10 | C11 | C12 | H12 | 179.7° | 179.7° |
| C11 | C10 | C13 | N14 | 86.6° | 90.0° |
| C11 | C10 | C13 | H13 | 33.4° | 149.9° |
| C11 | C10 | C13 | H13A | 153.4° | 29.9° |
| C13 | C10 | C11 | C12 | 172.0° | 179.7° |
| C13 | C10 | C11 | H11 | 8.0° | 0.1° |
| C10 | C13 | N14 | H13 | 120.0° | 120.0° |
| C10 | C13 | N14 | H13A | 120.0° | 119.9° |
| C10 | C13 | H13 | H13A | 119.6° | 120.0° |
| C10 | C13 | N14 | C15 | 67.0° | 180.0° |
| C10 | C13 | N14 | HN14 | 173.1° | 56.0° |
| H11 | C11 | C12 | H12 | 0.3° | 0.1° |
| N14 | C13 | H13 | H13A | 119.7° | 120.0° |
| C13 | N14 | C15 | HN14 | 120.0° | 124.0° |
| C13 | N14 | C15 | H15 | 180.0° | 59.9° |
| C13 | N14 | C15 | H15A | 60.0° | 60.1° |
| C13 | N14 | C15 | H15B | 60.0° | 180.0° |
| H13 | C13 | N14 | C15 | 53.0° | 59.9° |
| H13 | C13 | N14 | HN14 | 67.0° | 176.0° |
| H13A | C13 | N14 | C15 | 173.1° | 60.1° |
| H13A | C13 | N14 | HN14 | 53.1° | 63.9° |
| N14 | C15 | H15 | H15A | 120.0° | 120.0° |
| N14 | C15 | H15 | H15B | 120.0° | 120.1° |
| N14 | C15 | H15A | H15B | 120.0° | 120.0° |
| HN14 | N14 | C15 | H15 | 60.0° | 176.1° |
| HN14 | N14 | C15 | H15A | 180.0° | 63.9° |
| HN14 | N14 | C15 | H15B | 59.9° | 56.0° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
