1FN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | doub | 1.38Å | 1.45Å | Aromatic |
| C13 | C8 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | F14 | sing | 1.35Å | 1.38Å | |
| C18 | C17 | sing | 1.47Å | 1.46Å | |
| C18 | C20 | sing | 1.42Å | 1.49Å | |
| C18 | C24 | doub | 1.39Å | 1.39Å | |
| C17 | N15 | sing | 1.35Å | 1.40Å | |
| C17 | O19 | doub | 1.22Å | 1.23Å | |
| C20 | N21 | sing | 1.35Å | 1.45Å | |
| C20 | O25 | doub | 1.22Å | 1.26Å | |
| C22 | C23 | doub | 1.36Å | 1.40Å | |
| C22 | N21 | sing | 1.36Å | 1.34Å | |
| C23 | C24 | sing | 1.40Å | 1.40Å | |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | N15 | sing | 1.40Å | 1.35Å | |
| C34 | C33 | doub | 1.38Å | 1.43Å | Aromatic |
| C34 | C26 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | C1 | sing | 1.46Å | 1.45Å | Aromatic |
| C27 | C28 | doub | 1.34Å | 1.45Å | Aromatic |
| C33 | C32 | sing | 1.39Å | 1.43Å | Aromatic |
| C1 | C2 | doub | 1.41Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.50Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.36Å | Aromatic |
| C2 | N29 | sing | 1.37Å | 1.37Å | Aromatic |
| N3 | C4 | doub | 1.32Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.45Å | Aromatic |
| C6 | O7 | sing | 1.36Å | 1.45Å | |
| O7 | C8 | sing | 1.36Å | 1.41Å | |
| C8 | C9 | doub | 1.39Å | 1.44Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.44Å | Aromatic |
| N21 | C26 | sing | 1.40Å | 1.36Å | |
| C26 | C30 | doub | 1.39Å | 1.44Å | Aromatic |
| C28 | N29 | sing | 1.37Å | 1.42Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.44Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.42Å | Aromatic |
| C32 | F35 | sing | 1.35Å | 1.29Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N15 | HN15 | sing | 0.97Å | 1.00Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| N29 | HN29 | sing | 0.97Å | 1.00Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C8 | 121.9° | 120.0° |
| C12 | C13 | F14 | 122.8° | 120.0° |
| C13 | C12 | C11 | 119.2° | 120.0° |
| C13 | C12 | H12 | 120.4° | 120.0° |
| C8 | C13 | F14 | 115.3° | 120.0° |
| C13 | C8 | O7 | 118.8° | 120.0° |
| C13 | C8 | C9 | 116.9° | 120.0° |
| C17 | C18 | C20 | 122.6° | 120.5° |
| C17 | C18 | C24 | 119.9° | 120.6° |
| C18 | C17 | N15 | 115.1° | 120.0° |
| C18 | C17 | O19 | 118.7° | 120.0° |
| C20 | C18 | C24 | 117.5° | 118.9° |
| C18 | C20 | N21 | 114.9° | 119.8° |
| C18 | C20 | O25 | 125.7° | 120.1° |
| C18 | C24 | C23 | 123.5° | 118.9° |
| C18 | C24 | H24 | 118.3° | 120.6° |
| N15 | C17 | O19 | 126.0° | 120.0° |
| C17 | N15 | C11 | 129.6° | 120.0° |
| C17 | N15 | HN15 | 115.2° | 120.0° |
| N21 | C20 | O25 | 119.3° | 120.1° |
| C20 | N21 | C22 | 125.5° | 121.1° |
| C20 | N21 | C26 | 117.0° | 119.5° |
| C23 | C22 | N21 | 118.9° | 121.2° |
| C22 | C23 | C24 | 119.6° | 120.1° |
| C23 | C22 | H22 | 120.5° | 119.4° |
| C22 | C23 | H23 | 120.2° | 119.9° |
| C22 | N21 | C26 | 117.5° | 119.5° |
| N21 | C22 | H22 | 120.5° | 119.4° |
| C24 | C23 | H23 | 120.2° | 119.9° |
| C23 | C24 | H24 | 118.3° | 120.5° |
| C12 | C11 | C10 | 121.1° | 120.0° |
| C12 | C11 | N15 | 123.4° | 120.0° |
| C11 | C12 | H12 | 120.4° | 120.0° |
| C10 | C11 | N15 | 115.5° | 120.0° |
| C11 | C10 | C9 | 119.3° | 120.0° |
| C11 | C10 | H10 | 120.3° | 120.0° |
| C11 | N15 | HN15 | 115.2° | 120.0° |
| C33 | C34 | C26 | 119.7° | 120.0° |
| C34 | C33 | C32 | 119.1° | 120.1° |
| C33 | C34 | H34 | 120.2° | 120.0° |
| C34 | C33 | H33 | 120.4° | 120.0° |
| C34 | C26 | N21 | 118.3° | 120.1° |
| C34 | C26 | C30 | 119.3° | 119.9° |
| C26 | C34 | H34 | 120.1° | 120.0° |
| C1 | C27 | C28 | 103.0° | 106.8° |
| C27 | C1 | C2 | 109.3° | 106.3° |
| C27 | C1 | C6 | 134.7° | 134.3° |
| C1 | C27 | H27 | 128.5° | 126.6° |
| C27 | C28 | N29 | 110.0° | 109.8° |
| C28 | C27 | H27 | 128.5° | 126.6° |
| C27 | C28 | H28 | 125.0° | 125.1° |
| C33 | C32 | C31 | 124.0° | 120.1° |
| C33 | C32 | F35 | 124.8° | 120.0° |
| C32 | C33 | H33 | 120.4° | 119.9° |
| C2 | C1 | C6 | 115.9° | 119.5° |
| C1 | C2 | N3 | 121.1° | 119.8° |
| C1 | C2 | N29 | 111.1° | 107.0° |
| C1 | C6 | C5 | 121.7° | 117.9° |
| C1 | C6 | O7 | 114.1° | 121.1° |
| N3 | C2 | N29 | 127.7° | 133.1° |
| C2 | N3 | C4 | 125.4° | 121.8° |
| C2 | N29 | C28 | 106.5° | 110.0° |
| C2 | N29 | HN29 | 126.7° | 125.0° |
| N3 | C4 | C5 | 118.4° | 121.7° |
| N3 | C4 | H4 | 120.8° | 119.2° |
| C4 | C5 | C6 | 117.4° | 119.3° |
| C5 | C4 | H4 | 120.8° | 119.2° |
| C4 | C5 | H5 | 121.3° | 120.3° |
| C5 | C6 | O7 | 124.2° | 121.0° |
| C6 | C5 | H5 | 121.3° | 120.4° |
| C6 | O7 | C8 | 117.6° | 118.0° |
| O7 | C8 | C9 | 124.2° | 120.0° |
| C8 | C9 | C10 | 121.5° | 120.0° |
| C8 | C9 | H9 | 119.3° | 120.0° |
| C10 | C9 | H9 | 119.2° | 120.0° |
| C9 | C10 | H10 | 120.3° | 120.0° |
| N21 | C26 | C30 | 122.4° | 120.1° |
| C26 | C30 | C31 | 123.5° | 120.0° |
| C26 | C30 | H30 | 118.3° | 120.0° |
| N29 | C28 | H28 | 125.0° | 125.1° |
| C28 | N29 | HN29 | 126.7° | 125.0° |
| C30 | C31 | C32 | 114.4° | 120.0° |
| C31 | C30 | H30 | 118.3° | 120.1° |
| C30 | C31 | H31 | 122.8° | 120.0° |
| C31 | C32 | F35 | 111.2° | 120.0° |
| C32 | C31 | H31 | 122.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C8 | F14 | 179.6° | 179.8° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.9° | 0.0° |
| C13 | C12 | C11 | N15 | 178.9° | 180.0° |
| C12 | C13 | C8 | O7 | 179.3° | 180.0° |
| C12 | C13 | C8 | C9 | 0.1° | 0.1° |
| C8 | C13 | C12 | C11 | 0.7° | 0.1° |
| C13 | C8 | O7 | C6 | 102.4° | 81.1° |
| C13 | C8 | O7 | C9 | 179.1° | 180.0° |
| C13 | C8 | C9 | C10 | 0.3° | 0.0° |
| C8 | C13 | C12 | H12 | 179.3° | 179.9° |
| C13 | C8 | C9 | H9 | 179.7° | 179.9° |
| F14 | C13 | C12 | C11 | 178.9° | 179.7° |
| F14 | C13 | C8 | O7 | 0.3° | 0.2° |
| F14 | C13 | C8 | C9 | 179.5° | 179.7° |
| F14 | C13 | C12 | H12 | 1.1° | 0.3° |
| C17 | C18 | C20 | C24 | 178.6° | 179.7° |
| C18 | C17 | N15 | O19 | 175.2° | 179.9° |
| C17 | C18 | C20 | N21 | 178.8° | 180.0° |
| C17 | C18 | C20 | O25 | 1.1° | 0.0° |
| C17 | C18 | C24 | C23 | 178.1° | 180.0° |
| C18 | C17 | N15 | C11 | 171.8° | 172.9° |
| C17 | C18 | C24 | H24 | 2.0° | 0.0° |
| C18 | C17 | N15 | HN15 | 8.2° | 7.1° |
| C20 | C18 | C17 | N15 | 4.5° | 5.5° |
| C20 | C18 | C17 | O19 | 180.0° | 174.4° |
| C18 | C20 | N21 | O25 | 179.9° | 180.0° |
| C18 | C20 | N21 | C22 | 1.0° | 0.0° |
| C20 | C18 | C24 | C23 | 0.6° | 0.3° |
| C18 | C20 | N21 | C26 | 179.9° | 180.0° |
| C20 | C18 | C24 | H24 | 179.4° | 179.7° |
| C24 | C18 | C17 | N15 | 174.2° | 174.2° |
| C24 | C18 | C17 | O19 | 1.4° | 5.9° |
| C24 | C18 | C20 | N21 | 0.1° | 0.3° |
| C24 | C18 | C20 | O25 | 179.7° | 179.7° |
| C18 | C24 | C23 | C22 | 0.6° | 0.0° |
| C18 | C24 | C23 | H24 | 180.0° | 180.0° |
| C18 | C24 | C23 | H23 | 179.4° | 179.7° |
| C17 | N15 | C11 | C12 | 2.4° | 147.7° |
| C17 | N15 | C11 | C10 | 177.8° | 32.3° |
| C17 | N15 | C11 | HN15 | 180.0° | 180.0° |
| O19 | C17 | N15 | C11 | 13.0° | 7.2° |
| O19 | C17 | N15 | HN15 | 167.0° | 172.8° |
| C20 | N21 | C22 | C23 | 1.1° | 0.2° |
| C20 | N21 | C22 | C26 | 178.9° | 180.0° |
| C20 | N21 | C26 | C34 | 113.3° | 66.9° |
| C20 | N21 | C26 | C30 | 64.8° | 113.1° |
| C20 | N21 | C22 | H22 | 178.9° | 180.0° |
| O25 | C20 | N21 | C22 | 178.8° | 180.0° |
| O25 | C20 | N21 | C26 | 0.1° | 0.0° |
| C23 | C22 | N21 | H22 | 180.0° | 179.8° |
| C22 | C23 | C24 | H23 | 180.0° | 179.8° |
| C23 | C22 | N21 | C26 | 180.0° | 179.8° |
| C22 | C23 | C24 | H24 | 179.4° | 179.9° |
| N21 | C22 | C23 | C24 | 0.3° | 0.2° |
| C22 | N21 | C26 | C34 | 65.7° | 113.1° |
| C22 | N21 | C26 | C30 | 116.2° | 66.9° |
| N21 | C22 | C23 | H23 | 179.7° | 180.0° |
| C24 | C23 | C22 | H22 | 179.7° | 180.0° |
| C12 | C11 | C10 | N15 | 179.8° | 180.0° |
| C12 | C11 | C10 | C9 | 0.5° | 0.0° |
| C12 | C11 | C10 | H10 | 179.5° | 179.9° |
| C12 | C11 | N15 | HN15 | 177.6° | 32.4° |
| C11 | C10 | C9 | C8 | 0.1° | 0.0° |
| C11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C10 | C11 | C12 | H12 | 179.1° | 180.0° |
| C11 | C10 | C9 | H9 | 179.9° | 180.0° |
| C10 | C11 | N15 | HN15 | 2.2° | 147.7° |
| N15 | C11 | C10 | C9 | 179.3° | 179.9° |
| N15 | C11 | C12 | H12 | 1.1° | 0.0° |
| N15 | C11 | C10 | H10 | 0.7° | 0.1° |
| C33 | C34 | C26 | H34 | 180.0° | 179.7° |
| C34 | C33 | C32 | H33 | 180.0° | 180.0° |
| C33 | C34 | C26 | N21 | 178.5° | 180.0° |
| C33 | C34 | C26 | C30 | 0.4° | 0.0° |
| C34 | C33 | C32 | C31 | 0.7° | 0.0° |
| C34 | C33 | C32 | F35 | 179.9° | 180.0° |
| C26 | C34 | C33 | C32 | 0.1° | 0.0° |
| C34 | C26 | N21 | C30 | 178.0° | 180.0° |
| C34 | C26 | C30 | C31 | 0.5° | 0.0° |
| C26 | C34 | C33 | H33 | 179.9° | 180.0° |
| C34 | C26 | C30 | H30 | 179.5° | 180.0° |
| C1 | C27 | C28 | H27 | 180.0° | 179.7° |
| C27 | C1 | C2 | C6 | 179.7° | 180.0° |
| C27 | C1 | C2 | N3 | 179.5° | 180.0° |
| C27 | C1 | C2 | N29 | 0.2° | 0.0° |
| C27 | C1 | C6 | C5 | 180.0° | 180.0° |
| C27 | C1 | C6 | O7 | 0.1° | 0.0° |
| C1 | C27 | C28 | N29 | 0.6° | 0.0° |
| C1 | C27 | C28 | H28 | 179.4° | 180.0° |
| C28 | C27 | C1 | C2 | 0.3° | 0.0° |
| C28 | C27 | C1 | C6 | 179.9° | 180.0° |
| C27 | C28 | N29 | C2 | 0.7° | 0.0° |
| C27 | C28 | N29 | H28 | 180.0° | 180.0° |
| C27 | C28 | N29 | HN29 | 179.2° | 179.9° |
| C33 | C32 | C31 | C30 | 0.6° | 0.0° |
| C33 | C32 | C31 | F35 | 179.3° | 179.9° |
| C32 | C33 | C34 | H34 | 179.9° | 179.7° |
| C33 | C32 | C31 | H31 | 179.4° | 180.0° |
| C1 | C2 | N3 | N29 | 179.2° | 180.0° |
| C1 | C2 | N3 | C4 | 0.3° | 0.0° |
| C2 | C1 | C6 | C5 | 0.4° | 0.0° |
| C2 | C1 | C6 | O7 | 179.5° | 180.0° |
| C1 | C2 | N29 | C28 | 0.6° | 0.0° |
| C2 | C1 | C27 | H27 | 179.8° | 179.7° |
| C1 | C2 | N29 | HN29 | 179.4° | 179.9° |
| C6 | C1 | C2 | N3 | 0.2° | 0.0° |
| C6 | C1 | C2 | N29 | 179.5° | 180.0° |
| C1 | C6 | C5 | C4 | 0.8° | 0.0° |
| C1 | C6 | C5 | O7 | 179.9° | 180.0° |
| C1 | C6 | O7 | C8 | 157.9° | 174.8° |
| C6 | C1 | C27 | H27 | 0.1° | 0.3° |
| C1 | C6 | C5 | H5 | 179.2° | 179.9° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| N3 | C2 | N29 | C28 | 179.9° | 180.0° |
| C2 | N3 | C4 | H4 | 179.9° | 180.0° |
| N3 | C2 | N29 | HN29 | 0.1° | 0.1° |
| N29 | C2 | N3 | C4 | 179.5° | 180.0° |
| C2 | N29 | C28 | HN29 | 180.0° | 179.9° |
| C2 | N29 | C28 | H28 | 179.2° | 180.0° |
| N3 | C4 | C5 | H4 | 180.0° | 179.9° |
| N3 | C4 | C5 | C6 | 0.7° | 0.0° |
| N3 | C4 | C5 | H5 | 179.3° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | O7 | 179.1° | 180.0° |
| C5 | C6 | O7 | C8 | 22.0° | 5.2° |
| C6 | C5 | C4 | H4 | 179.3° | 180.0° |
| C6 | O7 | C8 | C9 | 76.7° | 98.9° |
| O7 | C6 | C5 | H5 | 0.9° | 0.1° |
| O7 | C8 | C9 | C10 | 178.9° | 180.0° |
| O7 | C8 | C9 | H9 | 1.1° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | H10 | 179.9° | 179.9° |
| N21 | C26 | C30 | C31 | 178.5° | 180.0° |
| C26 | N21 | C22 | H22 | 0.0° | 0.0° |
| N21 | C26 | C34 | H34 | 1.5° | 0.3° |
| N21 | C26 | C30 | H30 | 1.5° | 0.0° |
| C26 | C30 | C31 | H30 | 180.0° | 180.0° |
| C26 | C30 | C31 | C32 | 0.0° | 0.0° |
| C30 | C26 | C34 | H34 | 179.6° | 179.7° |
| C26 | C30 | C31 | H31 | 180.0° | 180.0° |
| N29 | C28 | C27 | H27 | 179.4° | 179.7° |
| C30 | C31 | C32 | H31 | 180.0° | 179.9° |
| C30 | C31 | C32 | F35 | 179.9° | 180.0° |
| C31 | C32 | C33 | H33 | 179.3° | 180.0° |
| C32 | C31 | C30 | H30 | 180.0° | 179.9° |
| F35 | C32 | C33 | H33 | 0.1° | 0.0° |
| F35 | C32 | C31 | H31 | 0.1° | 0.1° |
| H22 | C22 | C23 | H23 | 0.3° | 0.2° |
| H23 | C23 | C24 | H24 | 0.6° | 0.3° |
| H34 | C34 | C33 | H33 | 0.1° | 0.3° |
| H27 | C27 | C28 | H28 | 0.6° | 0.3° |
| H4 | C4 | C5 | H5 | 0.7° | 0.1° |
| H9 | C9 | C10 | H10 | 0.1° | 0.1° |
| H28 | C28 | N29 | HN29 | 0.8° | 0.0° |
| H30 | C30 | C31 | H31 | 0.0° | 0.0° |
