5FK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F30 | C27 | sing | 1.35Å | 1.34Å | |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | N29 | doub | 1.32Å | 1.34Å | Aromatic |
| C24 | N29 | sing | 1.32Å | 1.36Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| C23 | N21 | sing | 1.47Å | 1.46Å | |
| N21 | C20 | sing | 1.35Å | 1.34Å | |
| C20 | O22 | doub | 1.22Å | 1.22Å | |
| C20 | C17 | sing | 1.47Å | 1.48Å | |
| C18 | C17 | sing | 1.42Å | 1.39Å | Aromatic |
| C18 | N19 | doub | 1.30Å | 1.37Å | Aromatic |
| C17 | C5 | doub | 1.39Å | 1.48Å | Aromatic |
| N19 | N4 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | N4 | sing | 1.35Å | 1.30Å | Aromatic |
| C5 | N6 | sing | 1.38Å | 1.35Å | |
| N4 | C3 | sing | 1.47Å | 1.48Å | |
| F58 | C13 | sing | 1.40Å | 1.31Å | |
| N6 | C1 | sing | 1.47Å | 1.47Å | |
| F56 | C13 | sing | 1.40Å | 1.32Å | |
| C3 | C13 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.54Å | 1.54Å | |
| C13 | F57 | sing | 1.40Å | 1.31Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C7 | sing | 1.51Å | 1.48Å | |
| C8 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C32 | sing | 1.51Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C28 | H14 | sing | 1.08Å | 1.08Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| C32 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C33 | H18 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å | |
| N6 | H20 | sing | 1.01Å | 1.00Å | |
| N21 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F30 | C27 | C26 | 119.7° | 120.4° |
| F30 | C27 | C28 | 120.2° | 120.5° |
| C27 | C26 | C25 | 119.6° | 118.4° |
| C26 | C27 | C28 | 120.1° | 119.1° |
| C27 | C26 | H13 | 120.2° | 120.8° |
| C26 | C25 | C24 | 118.9° | 119.2° |
| C26 | C25 | H12 | 120.5° | 120.4° |
| C25 | C26 | H13 | 120.2° | 120.9° |
| C27 | C28 | N29 | 119.2° | 120.7° |
| C27 | C28 | H14 | 120.4° | 119.6° |
| C25 | C24 | N29 | 119.6° | 120.8° |
| C25 | C24 | C23 | 120.3° | 119.6° |
| C24 | C25 | H12 | 120.5° | 120.4° |
| C28 | N29 | C24 | 122.5° | 121.8° |
| N29 | C28 | H14 | 120.4° | 119.6° |
| N29 | C24 | C23 | 120.0° | 119.6° |
| C24 | C23 | N21 | 104.6° | 109.5° |
| C24 | C23 | H10 | 110.7° | 109.5° |
| C24 | C23 | H11 | 110.7° | 109.4° |
| C23 | N21 | C20 | 122.8° | 120.0° |
| N21 | C23 | H10 | 110.6° | 109.5° |
| N21 | C23 | H11 | 110.7° | 109.5° |
| C23 | N21 | H21 | 118.6° | 120.0° |
| N21 | C20 | O22 | 124.2° | 120.0° |
| N21 | C20 | C17 | 118.6° | 120.0° |
| C20 | N21 | H21 | 118.6° | 120.1° |
| O22 | C20 | C17 | 117.1° | 120.0° |
| C20 | C17 | C18 | 131.0° | 126.5° |
| C20 | C17 | C5 | 123.5° | 126.6° |
| C17 | C18 | N19 | 108.1° | 108.2° |
| C18 | C17 | C5 | 105.4° | 106.9° |
| C17 | C18 | H9 | 125.9° | 125.9° |
| C18 | N19 | N4 | 109.2° | 109.1° |
| N19 | C18 | H9 | 125.9° | 125.9° |
| C17 | C5 | N4 | 108.7° | 107.2° |
| C17 | C5 | N6 | 130.2° | 127.6° |
| N19 | N4 | C5 | 108.6° | 108.6° |
| N19 | N4 | C3 | 120.3° | 127.3° |
| N4 | C5 | N6 | 121.2° | 125.3° |
| C5 | N4 | C3 | 131.1° | 124.1° |
| C5 | N6 | C1 | 117.1° | 110.7° |
| C5 | N6 | H20 | 107.5° | 111.1° |
| N4 | C3 | C13 | 108.6° | 109.8° |
| N4 | C3 | C2 | 107.2° | 107.7° |
| N4 | C3 | H4 | 109.4° | 109.9° |
| F58 | C13 | F56 | 107.2° | 109.5° |
| F58 | C13 | C3 | 109.9° | 109.5° |
| F58 | C13 | F57 | 109.4° | 109.4° |
| N6 | C1 | C2 | 114.3° | 109.5° |
| N6 | C1 | C7 | 112.1° | 109.4° |
| N6 | C1 | H1 | 108.0° | 109.4° |
| C1 | N6 | H20 | 107.5° | 111.0° |
| F56 | C13 | C3 | 110.3° | 109.5° |
| F56 | C13 | F57 | 110.8° | 109.4° |
| C13 | C3 | C2 | 114.2° | 109.8° |
| C3 | C13 | F57 | 109.1° | 109.4° |
| C13 | C3 | H4 | 108.8° | 109.8° |
| C3 | C2 | C1 | 114.0° | 108.8° |
| C3 | C2 | H2 | 108.3° | 109.5° |
| C3 | C2 | H3 | 108.3° | 109.7° |
| C2 | C3 | H4 | 108.6° | 109.8° |
| C2 | C1 | C7 | 107.3° | 109.5° |
| C2 | C1 | H1 | 107.1° | 109.4° |
| C1 | C2 | H2 | 108.3° | 109.6° |
| C1 | C2 | H3 | 108.4° | 109.6° |
| C1 | C7 | C8 | 122.3° | 120.0° |
| C1 | C7 | C12 | 118.1° | 120.0° |
| C7 | C1 | H1 | 107.9° | 109.5° |
| C7 | C8 | C9 | 119.7° | 120.0° |
| C8 | C7 | C12 | 119.5° | 120.0° |
| C7 | C8 | H5 | 120.1° | 120.0° |
| C8 | C9 | C10 | 120.4° | 120.0° |
| C9 | C8 | H5 | 120.1° | 120.0° |
| C8 | C9 | H6 | 119.8° | 120.0° |
| C7 | C12 | C11 | 121.0° | 120.0° |
| C7 | C12 | H8 | 119.5° | 120.0° |
| C9 | C10 | C11 | 118.9° | 120.0° |
| C9 | C10 | C32 | 123.0° | 120.0° |
| C10 | C9 | H6 | 119.8° | 120.0° |
| C12 | C11 | C10 | 120.5° | 120.0° |
| C12 | C11 | H7 | 119.8° | 120.0° |
| C11 | C12 | H8 | 119.5° | 120.0° |
| C11 | C10 | C32 | 118.1° | 120.0° |
| C10 | C11 | H7 | 119.8° | 120.0° |
| C10 | C32 | C33 | 113.6° | 109.5° |
| C10 | C32 | H15 | 108.4° | 109.4° |
| C10 | C32 | H16 | 108.4° | 109.5° |
| C33 | C32 | H15 | 108.4° | 109.5° |
| C33 | C32 | H16 | 108.4° | 109.5° |
| C32 | C33 | H17 | 109.5° | 109.5° |
| C32 | C33 | H18 | 109.5° | 109.5° |
| C32 | C33 | H19 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.6° |
| H10 | C23 | H11 | 109.5° | 109.5° |
| H15 | C32 | H16 | 109.5° | 109.5° |
| H17 | C33 | H18 | 109.4° | 109.4° |
| H17 | C33 | H19 | 109.5° | 109.5° |
| H18 | C33 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F30 | C27 | C26 | C28 | 179.9° | 179.9° |
| F30 | C27 | C26 | C25 | 180.0° | 179.9° |
| F30 | C27 | C28 | N29 | 179.7° | 180.0° |
| F30 | C27 | C26 | H13 | 0.0° | 0.0° |
| F30 | C27 | C28 | H14 | 0.3° | 0.1° |
| C27 | C26 | C25 | H13 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.5° | 0.0° |
| C26 | C27 | C28 | N29 | 0.1° | 0.1° |
| C27 | C26 | C25 | H12 | 179.5° | 180.0° |
| C26 | C27 | C28 | H14 | 179.8° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.0° |
| C26 | C25 | C24 | H12 | 180.0° | 180.0° |
| C26 | C25 | C24 | N29 | 0.7° | 0.1° |
| C26 | C25 | C24 | C23 | 179.2° | 179.7° |
| C27 | C28 | N29 | H14 | 180.0° | 179.9° |
| C27 | C28 | N29 | C24 | 0.1° | 0.0° |
| C28 | C27 | C26 | H13 | 179.9° | 179.9° |
| C25 | C24 | N29 | C28 | 0.5° | 0.0° |
| C25 | C24 | N29 | C23 | 178.5° | 179.8° |
| C25 | C24 | C23 | N21 | 126.6° | 95.2° |
| C25 | C24 | C23 | H10 | 114.2° | 144.7° |
| C25 | C24 | C23 | H11 | 7.4° | 24.8° |
| C24 | C25 | C26 | H13 | 179.5° | 180.0° |
| C28 | N29 | C24 | C23 | 179.0° | 179.7° |
| N29 | C24 | C23 | N21 | 51.9° | 85.0° |
| N29 | C24 | C23 | H10 | 67.3° | 35.0° |
| N29 | C24 | C23 | H11 | 171.1° | 155.0° |
| N29 | C24 | C25 | H12 | 179.3° | 180.0° |
| C24 | N29 | C28 | H14 | 180.0° | 180.0° |
| C24 | C23 | N21 | H10 | 119.2° | 120.0° |
| C24 | C23 | N21 | H11 | 119.2° | 120.0° |
| C24 | C23 | N21 | C20 | 116.8° | 180.0° |
| C24 | C23 | H10 | H11 | 122.3° | 120.0° |
| C23 | C24 | C25 | H12 | 0.7° | 0.3° |
| C24 | C23 | N21 | H21 | 63.2° | 0.0° |
| C23 | N21 | C20 | H21 | 180.0° | 180.0° |
| C23 | N21 | C20 | O22 | 0.7° | 0.1° |
| C23 | N21 | C20 | C17 | 177.7° | 180.0° |
| N21 | C23 | H10 | H11 | 122.2° | 120.0° |
| N21 | C20 | O22 | C17 | 177.0° | 179.9° |
| N21 | C20 | C17 | C18 | 6.3° | 0.1° |
| N21 | C20 | C17 | C5 | 177.4° | 180.0° |
| C20 | N21 | C23 | H10 | 2.4° | 60.0° |
| C20 | N21 | C23 | H11 | 123.9° | 60.0° |
| O22 | C20 | C17 | C18 | 170.9° | 180.0° |
| O22 | C20 | C17 | C5 | 5.4° | 0.1° |
| O22 | C20 | N21 | H21 | 179.3° | 180.0° |
| C20 | C17 | C18 | C5 | 176.8° | 180.0° |
| C20 | C17 | C18 | N19 | 177.9° | 179.9° |
| C20 | C17 | C5 | N4 | 177.7° | 179.9° |
| C20 | C17 | C5 | N6 | 2.5° | 0.0° |
| C20 | C17 | C18 | H9 | 2.1° | 0.0° |
| C17 | C20 | N21 | H21 | 2.3° | 0.1° |
| C17 | C18 | N19 | H9 | 180.0° | 180.0° |
| C17 | C18 | N19 | N4 | 1.2° | 0.0° |
| C18 | C17 | C5 | N4 | 0.6° | 0.0° |
| C18 | C17 | C5 | N6 | 179.6° | 180.0° |
| N19 | C18 | C17 | C5 | 1.1° | 0.0° |
| C18 | N19 | N4 | C5 | 0.9° | 0.0° |
| C18 | N19 | N4 | C3 | 179.5° | 180.0° |
| C17 | C5 | N4 | N19 | 0.1° | 0.0° |
| C17 | C5 | N4 | N6 | 179.8° | 180.0° |
| C17 | C5 | N4 | C3 | 179.7° | 180.0° |
| C17 | C5 | N6 | C1 | 168.1° | 161.9° |
| C5 | C17 | C18 | H9 | 178.9° | 180.0° |
| C17 | C5 | N6 | H20 | 47.0° | 38.1° |
| N19 | N4 | C5 | C3 | 179.6° | 180.0° |
| N19 | N4 | C5 | N6 | 179.7° | 180.0° |
| N19 | N4 | C3 | C13 | 44.7° | 45.2° |
| N19 | N4 | C3 | C2 | 168.5° | 164.8° |
| N19 | N4 | C3 | H4 | 73.9° | 75.7° |
| N4 | N19 | C18 | H9 | 178.8° | 180.0° |
| N4 | C5 | N6 | C1 | 12.2° | 18.1° |
| C5 | N4 | C3 | C13 | 134.9° | 134.8° |
| C5 | N4 | C3 | C2 | 11.0° | 15.2° |
| C5 | N4 | C3 | H4 | 106.6° | 104.3° |
| N4 | C5 | N6 | H20 | 133.3° | 141.9° |
| N6 | C5 | N4 | C3 | 0.1° | 0.0° |
| C5 | N6 | C1 | H20 | 121.1° | 123.8° |
| C5 | N6 | C1 | C2 | 34.9° | 50.5° |
| C5 | N6 | C1 | C7 | 157.2° | 170.6° |
| C5 | N6 | C1 | H1 | 84.1° | 69.4° |
| N4 | C3 | C13 | F58 | 68.0° | 178.3° |
| N4 | C3 | C13 | F56 | 50.0° | 61.7° |
| N4 | C3 | C13 | C2 | 119.6° | 118.3° |
| N4 | C3 | C13 | H4 | 119.0° | 120.9° |
| N4 | C3 | C2 | H4 | 118.1° | 119.6° |
| N4 | C3 | C13 | F57 | 172.0° | 58.3° |
| N4 | C3 | C2 | C1 | 32.3° | 46.4° |
| N4 | C3 | C2 | H2 | 88.4° | 166.2° |
| N4 | C3 | C2 | H3 | 153.0° | 73.5° |
| F58 | C13 | F56 | C3 | 119.7° | 120.1° |
| F58 | C13 | F56 | F57 | 119.4° | 119.9° |
| F58 | C13 | C3 | F57 | 120.0° | 120.0° |
| F58 | C13 | C3 | C2 | 172.4° | 60.0° |
| F58 | C13 | C3 | H4 | 50.9° | 60.8° |
| N6 | C1 | C2 | C3 | 46.1° | 67.3° |
| N6 | C1 | C2 | C7 | 124.9° | 120.0° |
| N6 | C1 | C2 | H1 | 119.6° | 120.0° |
| N6 | C1 | C7 | H1 | 118.8° | 119.9° |
| N6 | C1 | C7 | C8 | 42.6° | 40.4° |
| N6 | C1 | C7 | C12 | 138.3° | 139.9° |
| N6 | C1 | C2 | H2 | 74.6° | 172.9° |
| N6 | C1 | C2 | H3 | 166.7° | 52.6° |
| F56 | C13 | C3 | F57 | 122.0° | 120.0° |
| F56 | C13 | C3 | C2 | 69.6° | 180.0° |
| F56 | C13 | C3 | H4 | 169.0° | 59.3° |
| C13 | C3 | C2 | H4 | 121.6° | 120.8° |
| C13 | C3 | C2 | C1 | 152.6° | 166.0° |
| C13 | C3 | C2 | H2 | 31.9° | 74.2° |
| C13 | C3 | C2 | H3 | 86.7° | 46.1° |
| C2 | C3 | C13 | F57 | 52.4° | 60.0° |
| C3 | C2 | C1 | H2 | 120.6° | 119.8° |
| C3 | C2 | C1 | H3 | 120.7° | 120.0° |
| C3 | C2 | C1 | C7 | 171.0° | 172.7° |
| C3 | C2 | C1 | H1 | 73.5° | 52.7° |
| C3 | C2 | H2 | H3 | 117.9° | 120.4° |
| F57 | C13 | C3 | H4 | 69.1° | 179.2° |
| C2 | C1 | C7 | H1 | 115.0° | 120.0° |
| C2 | C1 | C7 | C8 | 83.6° | 79.7° |
| C2 | C1 | C7 | C12 | 95.5° | 100.0° |
| C1 | C2 | H2 | H3 | 118.0° | 120.3° |
| C1 | C2 | C3 | H4 | 85.8° | 73.2° |
| C2 | C1 | N6 | H20 | 156.0° | 174.4° |
| C1 | C7 | C8 | C12 | 179.1° | 179.7° |
| C1 | C7 | C8 | C9 | 179.0° | 180.0° |
| C1 | C7 | C12 | C11 | 179.3° | 179.8° |
| C7 | C1 | C2 | H2 | 50.3° | 52.9° |
| C7 | C1 | C2 | H3 | 68.4° | 67.4° |
| C1 | C7 | C8 | H5 | 0.9° | 0.0° |
| C1 | C7 | C12 | H8 | 0.7° | 0.0° |
| C7 | C1 | N6 | H20 | 81.7° | 65.6° |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.4° | 0.0° |
| C8 | C7 | C12 | C11 | 0.2° | 0.5° |
| C8 | C7 | C1 | H1 | 161.4° | 160.3° |
| C7 | C8 | C9 | H6 | 179.6° | 180.0° |
| C8 | C7 | C12 | H8 | 179.8° | 179.7° |
| C9 | C8 | C7 | C12 | 0.0° | 0.3° |
| C8 | C9 | C10 | H6 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.5° | 0.0° |
| C8 | C9 | C10 | C32 | 179.7° | 180.0° |
| C7 | C12 | C11 | H8 | 180.0° | 179.8° |
| C7 | C12 | C11 | C10 | 0.1° | 0.5° |
| C12 | C7 | C1 | H1 | 19.5° | 20.0° |
| C12 | C7 | C8 | H5 | 180.0° | 179.7° |
| C7 | C12 | C11 | H7 | 179.9° | 179.7° |
| C9 | C10 | C11 | C12 | 0.3° | 0.2° |
| C9 | C10 | C11 | C32 | 179.2° | 180.0° |
| C9 | C10 | C32 | C33 | 45.8° | 90.0° |
| C10 | C9 | C8 | H5 | 179.6° | 180.0° |
| C9 | C10 | C11 | H7 | 179.7° | 180.0° |
| C9 | C10 | C32 | H15 | 74.8° | 150.0° |
| C9 | C10 | C32 | H16 | 166.5° | 30.0° |
| C12 | C11 | C10 | H7 | 180.0° | 179.9° |
| C12 | C11 | C10 | C32 | 179.5° | 179.8° |
| C11 | C10 | C32 | C33 | 134.9° | 90.0° |
| C11 | C10 | C9 | H6 | 179.5° | 180.0° |
| C10 | C11 | C12 | H8 | 179.9° | 179.8° |
| C11 | C10 | C32 | H15 | 104.5° | 30.0° |
| C11 | C10 | C32 | H16 | 14.3° | 150.0° |
| C10 | C32 | C33 | H15 | 120.6° | 119.9° |
| C10 | C32 | C33 | H16 | 120.6° | 120.0° |
| C32 | C10 | C9 | H6 | 0.3° | 0.0° |
| C32 | C10 | C11 | H7 | 0.5° | 0.0° |
| C10 | C32 | H15 | H16 | 118.1° | 120.0° |
| C10 | C32 | C33 | H17 | 180.0° | 60.0° |
| C10 | C32 | C33 | H18 | 60.0° | 180.0° |
| C10 | C32 | C33 | H19 | 60.0° | 60.0° |
| C33 | C32 | H15 | H16 | 118.1° | 120.0° |
| C32 | C33 | H17 | H18 | 120.0° | 120.0° |
| C32 | C33 | H17 | H19 | 120.0° | 120.1° |
| C32 | C33 | H18 | H19 | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 165.9° | 67.1° |
| H1 | C1 | C2 | H3 | 47.2° | 172.6° |
| H1 | C1 | N6 | H20 | 37.0° | 54.4° |
| H2 | C2 | C3 | H4 | 153.5° | 46.6° |
| H3 | C2 | C3 | H4 | 34.9° | 166.9° |
| H5 | C8 | C9 | H6 | 0.4° | 0.0° |
| H7 | C11 | C12 | H8 | 0.1° | 0.1° |
| H10 | C23 | N21 | H21 | 177.6° | 120.0° |
| H11 | C23 | N21 | H21 | 56.1° | 120.0° |
| H12 | C25 | C26 | H13 | 0.5° | 0.0° |
| H15 | C32 | C33 | H17 | 59.4° | 59.9° |
| H15 | C32 | C33 | H18 | 179.4° | 60.0° |
| H15 | C32 | C33 | H19 | 60.6° | 179.9° |
| H16 | C32 | C33 | H17 | 59.3° | 179.9° |
| H16 | C32 | C33 | H18 | 60.6° | 60.0° |
| H16 | C32 | C33 | H19 | 179.4° | 60.0° |
| H17 | C33 | H18 | H19 | 120.0° | 120.0° |
