43K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N25 | C24 | doub | 1.32Å | 1.32Å | Aromatic |
| N25 | C26 | sing | 1.32Å | 1.34Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| F27 | C26 | sing | 1.35Å | 1.34Å | |
| C26 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C1 | sing | 1.48Å | 1.40Å | |
| N20 | C18 | sing | 1.37Å | 1.33Å | |
| C1 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | N19 | doub | 1.30Å | 1.33Å | |
| C18 | O17 | sing | 1.35Å | 1.37Å | |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| N19 | C21 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| O17 | C16 | sing | 1.44Å | 1.46Å | |
| C5 | C21 | sing | 1.50Å | 1.54Å | |
| C5 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C16 | sing | 1.54Å | 1.53Å | |
| C21 | C13 | sing | 1.50Å | 1.54Å | |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | O8 | sing | 1.35Å | 1.37Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| O8 | C9 | sing | 1.35Å | 1.35Å | |
| C14 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| F33 | C29 | sing | 1.35Å | 1.34Å | |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C15 | sing | 1.48Å | 1.42Å | |
| C12 | N11 | doub | 1.33Å | 1.35Å | Aromatic |
| C10 | N11 | sing | 1.32Å | 1.32Å | Aromatic |
| C29 | N30 | sing | 1.32Å | 1.34Å | Aromatic |
| C15 | C32 | doub | 1.40Å | 1.41Å | Aromatic |
| N30 | C31 | doub | 1.32Å | 1.33Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | H1 | sing | 1.08Å | 1.08Å | |
| C31 | H2 | sing | 1.08Å | 1.08Å | |
| C32 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| N20 | H8 | sing | 0.97Å | 1.00Å | |
| N20 | H9 | sing | 0.97Å | 1.00Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | N25 | C26 | 121.3° | 121.8° |
| N25 | C24 | C23 | 120.8° | 121.1° |
| N25 | C24 | H15 | 119.6° | 119.5° |
| N25 | C26 | F27 | 117.8° | 119.8° |
| N25 | C26 | C7 | 121.1° | 120.5° |
| C24 | C23 | C22 | 119.7° | 119.3° |
| C24 | C23 | H14 | 120.1° | 120.3° |
| C23 | C24 | H15 | 119.6° | 119.5° |
| F27 | C26 | C7 | 121.1° | 119.7° |
| C26 | C7 | C22 | 118.3° | 118.9° |
| C26 | C7 | C1 | 122.3° | 120.5° |
| C23 | C22 | C7 | 118.8° | 118.3° |
| C23 | C22 | H13 | 120.6° | 120.8° |
| C22 | C23 | H14 | 120.2° | 120.3° |
| C22 | C7 | C1 | 119.4° | 120.6° |
| C7 | C22 | H13 | 120.6° | 120.9° |
| C7 | C1 | C6 | 121.0° | 120.1° |
| C7 | C1 | C2 | 119.5° | 120.1° |
| N20 | C18 | N19 | 124.6° | 123.1° |
| N20 | C18 | O17 | 121.6° | 123.1° |
| C18 | N20 | H8 | 120.0° | 120.0° |
| C18 | N20 | H9 | 120.0° | 120.0° |
| C6 | C1 | C2 | 119.4° | 119.8° |
| C1 | C6 | C5 | 120.4° | 120.2° |
| C1 | C6 | H10 | 119.8° | 119.9° |
| C1 | C2 | C3 | 120.8° | 119.8° |
| C1 | C2 | H12 | 119.6° | 120.1° |
| N19 | C18 | O17 | 113.8° | 113.8° |
| C18 | N19 | C21 | 109.8° | 108.2° |
| C18 | O17 | C16 | 106.7° | 107.8° |
| C6 | C5 | C21 | 120.2° | 119.6° |
| C6 | C5 | C4 | 119.4° | 120.0° |
| C5 | C6 | H10 | 119.8° | 120.0° |
| N19 | C21 | C5 | 112.1° | 110.8° |
| N19 | C21 | C16 | 102.4° | 102.6° |
| N19 | C21 | C13 | 108.5° | 111.0° |
| C2 | C3 | C4 | 119.9° | 120.4° |
| C2 | C3 | H11 | 120.1° | 119.8° |
| C3 | C2 | H12 | 119.6° | 120.1° |
| O17 | C16 | C21 | 106.1° | 101.3° |
| O17 | C16 | H6 | 110.3° | 111.1° |
| O17 | C16 | H7 | 110.3° | 111.1° |
| C21 | C5 | C4 | 120.4° | 120.4° |
| C5 | C21 | C16 | 110.7° | 110.2° |
| C5 | C21 | C13 | 110.8° | 111.5° |
| C5 | C4 | C3 | 120.1° | 119.9° |
| C5 | C4 | O8 | 123.5° | 120.9° |
| C16 | C21 | C13 | 112.1° | 110.4° |
| C21 | C16 | H6 | 110.3° | 111.1° |
| C21 | C16 | H7 | 110.3° | 111.1° |
| C21 | C13 | C14 | 121.5° | 120.6° |
| C21 | C13 | C9 | 121.2° | 120.7° |
| C3 | C4 | O8 | 116.4° | 119.2° |
| C4 | C3 | H11 | 120.0° | 119.8° |
| C4 | O8 | C9 | 120.1° | 120.6° |
| C14 | C13 | C9 | 117.3° | 118.7° |
| C13 | C14 | C12 | 121.1° | 119.1° |
| C13 | C14 | H4 | 119.4° | 120.5° |
| C13 | C9 | O8 | 123.7° | 120.8° |
| C13 | C9 | C10 | 119.6° | 119.1° |
| O8 | C9 | C10 | 116.8° | 120.1° |
| C14 | C12 | C15 | 123.1° | 119.7° |
| C14 | C12 | N11 | 118.2° | 120.6° |
| C12 | C14 | H4 | 119.4° | 120.5° |
| C9 | C10 | N11 | 122.0° | 120.8° |
| C9 | C10 | H5 | 119.0° | 119.6° |
| F33 | C29 | C28 | 118.3° | 119.6° |
| F33 | C29 | N30 | 119.0° | 119.5° |
| C29 | C28 | C15 | 119.2° | 119.0° |
| C28 | C29 | N30 | 122.7° | 120.8° |
| C29 | C28 | H1 | 120.4° | 120.5° |
| C28 | C15 | C12 | 122.4° | 120.9° |
| C28 | C15 | C32 | 116.6° | 118.2° |
| C15 | C28 | H1 | 120.4° | 120.5° |
| C15 | C12 | N11 | 118.7° | 119.7° |
| C12 | C15 | C32 | 121.0° | 120.9° |
| C12 | N11 | C10 | 121.8° | 121.8° |
| N11 | C10 | H5 | 119.0° | 119.6° |
| C29 | N30 | C31 | 120.0° | 122.0° |
| C15 | C32 | C31 | 121.5° | 119.0° |
| C15 | C32 | H3 | 119.3° | 120.5° |
| N30 | C31 | C32 | 120.1° | 120.9° |
| N30 | C31 | H2 | 120.0° | 119.6° |
| C32 | C31 | H2 | 119.9° | 119.5° |
| C31 | C32 | H3 | 119.2° | 120.5° |
| H6 | C16 | H7 | 109.5° | 110.9° |
| H8 | N20 | H9 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N25 | C24 | C23 | H15 | 180.0° | 180.0° |
| C24 | N25 | C26 | F27 | 178.5° | 180.0° |
| C24 | N25 | C26 | C7 | 1.4° | 0.6° |
| N25 | C24 | C23 | C22 | 0.7° | 0.0° |
| N25 | C24 | C23 | H14 | 179.4° | 180.0° |
| C26 | N25 | C24 | C23 | 1.4° | 0.3° |
| N25 | C26 | F27 | C7 | 179.9° | 179.4° |
| N25 | C26 | C7 | C22 | 0.6° | 0.6° |
| N25 | C26 | C7 | C1 | 178.7° | 179.7° |
| C26 | N25 | C24 | H15 | 178.5° | 179.7° |
| C24 | C23 | C22 | H14 | 180.0° | 180.0° |
| C24 | C23 | C22 | C7 | 0.1° | 0.1° |
| C24 | C23 | C22 | H13 | 179.9° | 180.0° |
| F27 | C26 | C7 | C22 | 179.3° | 180.0° |
| F27 | C26 | C7 | C1 | 1.4° | 0.3° |
| C26 | C7 | C22 | C23 | 0.1° | 0.4° |
| C26 | C7 | C22 | C1 | 179.3° | 179.7° |
| C26 | C7 | C1 | C6 | 57.0° | 50.3° |
| C26 | C7 | C1 | C2 | 123.2° | 129.7° |
| C26 | C7 | C22 | H13 | 179.8° | 179.7° |
| C23 | C22 | C7 | H13 | 180.0° | 179.9° |
| C23 | C22 | C7 | C1 | 179.5° | 180.0° |
| C22 | C23 | C24 | H15 | 179.3° | 180.0° |
| C22 | C7 | C1 | C6 | 122.3° | 130.0° |
| C22 | C7 | C1 | C2 | 57.5° | 49.9° |
| C7 | C22 | C23 | H14 | 179.9° | 180.0° |
| C7 | C1 | C6 | C2 | 179.8° | 180.0° |
| C7 | C1 | C6 | C5 | 179.9° | 180.0° |
| C7 | C1 | C2 | C3 | 179.7° | 179.8° |
| C7 | C1 | C6 | H10 | 0.1° | 0.0° |
| C7 | C1 | C2 | H12 | 0.4° | 0.0° |
| C1 | C7 | C22 | H13 | 0.5° | 0.1° |
| N20 | C18 | N19 | O17 | 179.4° | 180.0° |
| N20 | C18 | N19 | C21 | 177.7° | 179.5° |
| N20 | C18 | O17 | C16 | 171.0° | 163.0° |
| C18 | N20 | H8 | H9 | 180.0° | 179.9° |
| C1 | C6 | C5 | H10 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.2° |
| C1 | C6 | C5 | C21 | 178.8° | 179.9° |
| C1 | C6 | C5 | C4 | 0.4° | 0.2° |
| C6 | C1 | C2 | H12 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C1 | C2 | C3 | H12 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 0.1° | 0.2° |
| C2 | C1 | C6 | H10 | 179.8° | 180.0° |
| C1 | C2 | C3 | H11 | 179.9° | 179.8° |
| N19 | C18 | O17 | C16 | 8.4° | 17.0° |
| C18 | N19 | C21 | C5 | 113.2° | 132.3° |
| C18 | N19 | C21 | C16 | 5.4° | 14.7° |
| C18 | N19 | C21 | C13 | 124.0° | 103.2° |
| N19 | C18 | N20 | H8 | 0.0° | 0.1° |
| N19 | C18 | N20 | H9 | 180.0° | 180.0° |
| O17 | C18 | N19 | C21 | 1.6° | 0.5° |
| C18 | O17 | C16 | C21 | 11.2° | 24.3° |
| C18 | O17 | C16 | H6 | 108.2° | 93.7° |
| C18 | O17 | C16 | H7 | 130.7° | 142.3° |
| O17 | C18 | N20 | H8 | 179.3° | 179.9° |
| O17 | C18 | N20 | H9 | 0.7° | 0.0° |
| C6 | C5 | C21 | N19 | 55.1° | 72.5° |
| C6 | C5 | C21 | C4 | 178.3° | 179.7° |
| C6 | C5 | C21 | C16 | 58.4° | 40.3° |
| C6 | C5 | C21 | C13 | 176.6° | 163.3° |
| C6 | C5 | C4 | C3 | 0.4° | 0.2° |
| C6 | C5 | C4 | O8 | 179.7° | 179.8° |
| N19 | C21 | C16 | O17 | 9.9° | 23.0° |
| N19 | C21 | C5 | C16 | 113.6° | 112.8° |
| N19 | C21 | C5 | C13 | 121.4° | 124.2° |
| N19 | C21 | C5 | C4 | 126.5° | 107.8° |
| N19 | C21 | C16 | C13 | 116.1° | 118.4° |
| N19 | C21 | C13 | C14 | 53.0° | 72.5° |
| N19 | C21 | C13 | C9 | 127.3° | 107.6° |
| N19 | C21 | C16 | H6 | 109.5° | 95.0° |
| N19 | C21 | C16 | H7 | 129.4° | 141.1° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H11 | 180.0° | 179.9° |
| C2 | C3 | C4 | O8 | 179.5° | 179.6° |
| O17 | C16 | C21 | C5 | 109.7° | 141.1° |
| O17 | C16 | C21 | H6 | 119.5° | 118.0° |
| O17 | C16 | C21 | H7 | 119.5° | 118.1° |
| O17 | C16 | C21 | C13 | 126.1° | 95.4° |
| O17 | C16 | H6 | H7 | 121.6° | 124.1° |
| C5 | C21 | C16 | C13 | 124.3° | 123.6° |
| C21 | C5 | C4 | C3 | 178.7° | 179.9° |
| C21 | C5 | C4 | O8 | 2.0° | 0.5° |
| C5 | C21 | C13 | C14 | 176.5° | 163.4° |
| C5 | C21 | C13 | C9 | 3.8° | 16.5° |
| C5 | C21 | C16 | H6 | 130.9° | 23.0° |
| C5 | C21 | C16 | H7 | 9.8° | 100.9° |
| C21 | C5 | C6 | H10 | 1.2° | 0.1° |
| C4 | C5 | C21 | C16 | 119.9° | 139.4° |
| C4 | C5 | C21 | C13 | 5.1° | 16.4° |
| C5 | C4 | C3 | O8 | 179.3° | 179.6° |
| C5 | C4 | O8 | C9 | 3.2° | 19.7° |
| C4 | C5 | C6 | H10 | 179.6° | 179.8° |
| C5 | C4 | C3 | H11 | 179.9° | 179.9° |
| C16 | C21 | C13 | C14 | 59.3° | 40.6° |
| C16 | C21 | C13 | C9 | 120.4° | 139.3° |
| C21 | C16 | H6 | H7 | 121.5° | 124.0° |
| C21 | C13 | C14 | C9 | 179.7° | 179.9° |
| C21 | C13 | C9 | O8 | 0.8° | 0.4° |
| C21 | C13 | C14 | C12 | 179.5° | 179.7° |
| C21 | C13 | C9 | C10 | 180.0° | 179.8° |
| C21 | C13 | C14 | H4 | 0.5° | 0.4° |
| C13 | C21 | C16 | H6 | 6.6° | 146.6° |
| C13 | C21 | C16 | H7 | 114.5° | 22.7° |
| C3 | C4 | O8 | C9 | 176.1° | 160.7° |
| C4 | C3 | C2 | H12 | 179.9° | 180.0° |
| C4 | O8 | C9 | C13 | 4.6° | 19.7° |
| C4 | O8 | C9 | C10 | 176.2° | 160.6° |
| O8 | C4 | C3 | H11 | 0.5° | 0.3° |
| C14 | C13 | C9 | O8 | 178.9° | 179.7° |
| C13 | C14 | C12 | H4 | 180.0° | 180.0° |
| C14 | C13 | C9 | C10 | 0.3° | 0.0° |
| C13 | C14 | C12 | C15 | 179.3° | 180.0° |
| C13 | C14 | C12 | N11 | 0.2° | 0.3° |
| C13 | C9 | O8 | C10 | 179.2° | 179.7° |
| C9 | C13 | C14 | C12 | 0.8° | 0.2° |
| C13 | C9 | C10 | N11 | 0.9° | 0.1° |
| C9 | C13 | C14 | H4 | 179.2° | 179.7° |
| C13 | C9 | C10 | H5 | 179.1° | 179.9° |
| O8 | C9 | C10 | N11 | 179.9° | 179.8° |
| O8 | C9 | C10 | H5 | 0.1° | 0.2° |
| C14 | C12 | C15 | C28 | 12.5° | 179.7° |
| C14 | C12 | C15 | N11 | 179.1° | 179.7° |
| C14 | C12 | N11 | C10 | 1.0° | 0.2° |
| C14 | C12 | C15 | C32 | 166.2° | 0.3° |
| C9 | C10 | N11 | C12 | 1.6° | 0.0° |
| C9 | C10 | N11 | H5 | 180.0° | 180.0° |
| F33 | C29 | C28 | N30 | 180.0° | 180.0° |
| F33 | C29 | C28 | C15 | 179.2° | 180.0° |
| F33 | C29 | N30 | C31 | 179.7° | 180.0° |
| F33 | C29 | C28 | H1 | 0.8° | 0.3° |
| C29 | C28 | C15 | H1 | 180.0° | 179.7° |
| C29 | C28 | C15 | C12 | 179.6° | 180.0° |
| C29 | C28 | C15 | C32 | 0.8° | 0.0° |
| C28 | C29 | N30 | C31 | 0.3° | 0.0° |
| C28 | C15 | C12 | C32 | 178.8° | 180.0° |
| C28 | C15 | C12 | N11 | 168.3° | 0.0° |
| C15 | C28 | C29 | N30 | 0.8° | 0.0° |
| C28 | C15 | C32 | C31 | 0.4° | 0.0° |
| C28 | C15 | C32 | H3 | 179.6° | 180.0° |
| C15 | C12 | N11 | C10 | 178.1° | 179.9° |
| C12 | C15 | C32 | C31 | 179.3° | 180.0° |
| C12 | C15 | C28 | H1 | 0.4° | 0.3° |
| C12 | C15 | C32 | H3 | 0.7° | 0.0° |
| C15 | C12 | C14 | H4 | 0.7° | 0.0° |
| N11 | C12 | C15 | C32 | 12.9° | 180.0° |
| N11 | C12 | C14 | H4 | 179.9° | 179.7° |
| C12 | N11 | C10 | H5 | 178.4° | 179.9° |
| C29 | N30 | C31 | C32 | 0.1° | 0.0° |
| N30 | C29 | C28 | H1 | 179.2° | 179.7° |
| C29 | N30 | C31 | H2 | 179.9° | 180.0° |
| C15 | C32 | C31 | N30 | 0.0° | 0.0° |
| C15 | C32 | C31 | H3 | 180.0° | 180.0° |
| C32 | C15 | C28 | H1 | 179.2° | 179.7° |
| C15 | C32 | C31 | H2 | 180.0° | 180.0° |
| N30 | C31 | C32 | H2 | 180.0° | 180.0° |
| N30 | C31 | C32 | H3 | 180.0° | 180.0° |
| H2 | C31 | C32 | H3 | 0.0° | 0.0° |
| H11 | C3 | C2 | H12 | 0.1° | 0.1° |
| H13 | C22 | C23 | H14 | 0.2° | 0.1° |
| H14 | C23 | C24 | H15 | 0.7° | 0.0° |
