0H6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F28 | C25 | sing | 1.40Å | 1.40Å | |
| F26 | C25 | sing | 1.40Å | 1.35Å | |
| F27 | C25 | sing | 1.40Å | 1.38Å | |
| C25 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | C21 | doub | 1.35Å | 1.33Å | Aromatic |
| C22 | N23 | sing | 1.34Å | 1.36Å | Aromatic |
| C21 | N1 | sing | 1.37Å | 1.38Å | Aromatic |
| N23 | C24 | doub | 1.30Å | 1.30Å | Aromatic |
| C6 | C5 | sing | 1.55Å | 1.61Å | |
| C6 | C7 | sing | 1.54Å | 1.58Å | |
| O11 | C3 | doub | 1.21Å | 1.26Å | |
| N1 | C24 | sing | 1.35Å | 1.33Å | Aromatic |
| N1 | C2 | sing | 1.47Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.60Å | |
| C5 | C9 | sing | 1.55Å | 1.60Å | |
| C4 | C2 | sing | 1.53Å | 1.55Å | |
| C7 | C8 | sing | 1.54Å | 1.56Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C3 | N10 | sing | 1.35Å | 1.34Å | |
| C13 | C14 | doub | 1.37Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.48Å | Aromatic |
| C8 | C9 | sing | 1.54Å | 1.56Å | |
| C14 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| N10 | C12 | sing | 1.39Å | 1.35Å | |
| C12 | N17 | doub | 1.33Å | 1.32Å | Aromatic |
| O19 | C18 | doub | 1.22Å | 1.36Å | |
| C15 | C18 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | doub | 1.40Å | 1.47Å | Aromatic |
| N17 | C16 | sing | 1.32Å | 1.34Å | Aromatic |
| C18 | O20 | sing | 1.35Å | 1.18Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| N10 | H16 | sing | 0.97Å | 1.00Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| O20 | H18 | sing | 0.97Å | 0.95Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F28 | C25 | F26 | 108.9° | 109.4° |
| F28 | C25 | F27 | 108.1° | 109.5° |
| F28 | C25 | C22 | 116.7° | 109.5° |
| F26 | C25 | F27 | 106.8° | 109.5° |
| F26 | C25 | C22 | 110.8° | 109.5° |
| F27 | C25 | C22 | 105.1° | 109.5° |
| C25 | C22 | C21 | 125.7° | 126.1° |
| C25 | C22 | N23 | 127.0° | 126.0° |
| C21 | C22 | N23 | 107.3° | 108.0° |
| C22 | C21 | N1 | 106.6° | 106.9° |
| C22 | C21 | H10 | 126.7° | 126.5° |
| C22 | N23 | C24 | 110.0° | 109.3° |
| C21 | N1 | C24 | 108.3° | 107.2° |
| C21 | N1 | C2 | 125.2° | 126.4° |
| N1 | C21 | H10 | 126.7° | 126.6° |
| N23 | C24 | N1 | 107.8° | 108.7° |
| N23 | C24 | H19 | 126.1° | 125.7° |
| C5 | C6 | C7 | 113.2° | 104.2° |
| C6 | C5 | C4 | 113.8° | 110.8° |
| C6 | C5 | C9 | 97.9° | 102.8° |
| C5 | C6 | H5 | 108.5° | 110.5° |
| C5 | C6 | H6 | 108.5° | 110.4° |
| C6 | C5 | H15 | 111.5° | 110.7° |
| C6 | C7 | C8 | 102.2° | 106.6° |
| C6 | C7 | H3 | 111.3° | 110.0° |
| C6 | C7 | H4 | 111.2° | 110.1° |
| C7 | C6 | H5 | 108.5° | 110.5° |
| C7 | C6 | H6 | 108.5° | 110.5° |
| O11 | C3 | C2 | 121.4° | 120.0° |
| O11 | C3 | N10 | 123.6° | 120.0° |
| C24 | N1 | C2 | 126.5° | 126.4° |
| N1 | C24 | H19 | 126.1° | 125.6° |
| N1 | C2 | C4 | 111.1° | 109.5° |
| N1 | C2 | C3 | 107.8° | 109.5° |
| N1 | C2 | H14 | 106.0° | 109.4° |
| C4 | C5 | C9 | 109.7° | 110.7° |
| C5 | C4 | C2 | 114.6° | 109.5° |
| C5 | C4 | H1 | 108.2° | 109.5° |
| C5 | C4 | H2 | 108.2° | 109.5° |
| C4 | C5 | H15 | 111.6° | 110.7° |
| C5 | C9 | C8 | 108.0° | 104.2° |
| C5 | C9 | H7 | 109.8° | 110.5° |
| C5 | C9 | H8 | 109.8° | 110.6° |
| C9 | C5 | H15 | 111.6° | 111.0° |
| C4 | C2 | C3 | 119.0° | 109.5° |
| C2 | C4 | H1 | 108.2° | 109.4° |
| C2 | C4 | H2 | 108.2° | 109.4° |
| C4 | C2 | H14 | 105.8° | 109.5° |
| C7 | C8 | C9 | 108.0° | 106.6° |
| C8 | C7 | H3 | 111.2° | 110.0° |
| C8 | C7 | H4 | 111.3° | 110.0° |
| C7 | C8 | H11 | 109.8° | 110.0° |
| C7 | C8 | H12 | 109.8° | 110.0° |
| C2 | C3 | N10 | 115.0° | 120.0° |
| C3 | C2 | H14 | 106.4° | 109.5° |
| C3 | N10 | C12 | 128.2° | 120.1° |
| C3 | N10 | H16 | 115.9° | 120.0° |
| C14 | C13 | C12 | 121.6° | 119.4° |
| C13 | C14 | C15 | 116.8° | 118.4° |
| C14 | C13 | H9 | 119.2° | 120.3° |
| C13 | C14 | H17 | 121.6° | 120.8° |
| C13 | C12 | N10 | 128.0° | 119.5° |
| C13 | C12 | N17 | 120.0° | 120.9° |
| C12 | C13 | H9 | 119.2° | 120.3° |
| C8 | C9 | H7 | 109.8° | 110.5° |
| C8 | C9 | H8 | 109.8° | 110.5° |
| C9 | C8 | H11 | 109.8° | 110.1° |
| C9 | C8 | H12 | 109.8° | 110.0° |
| C14 | C15 | C18 | 119.1° | 120.5° |
| C14 | C15 | C16 | 119.3° | 119.0° |
| C15 | C14 | H17 | 121.6° | 120.8° |
| N10 | C12 | N17 | 111.9° | 119.6° |
| C12 | N10 | H16 | 115.9° | 119.9° |
| C12 | N17 | C16 | 120.8° | 121.6° |
| O19 | C18 | C15 | 116.8° | 120.0° |
| O19 | C18 | O20 | 121.9° | 120.0° |
| C18 | C15 | C16 | 121.6° | 120.5° |
| C15 | C18 | O20 | 121.3° | 120.0° |
| C15 | C16 | N17 | 121.5° | 120.5° |
| C15 | C16 | H13 | 119.2° | 119.8° |
| N17 | C16 | H13 | 119.3° | 119.7° |
| C18 | O20 | H18 | 109.5° | 117.0° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.4° | 110.0° |
| H5 | C6 | H6 | 109.5° | 110.5° |
| H7 | C9 | H8 | 109.5° | 110.5° |
| H11 | C8 | H12 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F28 | C25 | F26 | F27 | 116.5° | 120.0° |
| F28 | C25 | F26 | C22 | 129.6° | 120.0° |
| F28 | C25 | F27 | C22 | 125.2° | 120.0° |
| F28 | C25 | C22 | C21 | 5.0° | 30.0° |
| F28 | C25 | C22 | N23 | 174.9° | 150.0° |
| F26 | C25 | F27 | C22 | 117.7° | 120.0° |
| F26 | C25 | C22 | C21 | 130.4° | 90.0° |
| F26 | C25 | C22 | N23 | 49.6° | 90.1° |
| F27 | C25 | C22 | C21 | 114.7° | 150.0° |
| F27 | C25 | C22 | N23 | 65.4° | 30.0° |
| C25 | C22 | C21 | N23 | 179.9° | 180.0° |
| C25 | C22 | C21 | N1 | 179.3° | 180.0° |
| C25 | C22 | N23 | C24 | 179.7° | 179.8° |
| C25 | C22 | C21 | H10 | 0.7° | 0.2° |
| C22 | C21 | N1 | H10 | 180.0° | 179.8° |
| C21 | C22 | N23 | C24 | 0.3° | 0.3° |
| C22 | C21 | N1 | C24 | 1.0° | 0.2° |
| C22 | C21 | N1 | C2 | 179.4° | 179.8° |
| N23 | C22 | C21 | N1 | 0.8° | 0.0° |
| C22 | N23 | C24 | N1 | 0.3° | 0.4° |
| N23 | C22 | C21 | H10 | 179.2° | 179.8° |
| C22 | N23 | C24 | H19 | 179.7° | 180.0° |
| C21 | N1 | C24 | N23 | 0.8° | 0.4° |
| C21 | N1 | C24 | C2 | 178.4° | 180.0° |
| C21 | N1 | C2 | C4 | 57.3° | 120.0° |
| C21 | N1 | C2 | C3 | 74.7° | 120.0° |
| C21 | N1 | C2 | H14 | 171.7° | 0.0° |
| C21 | N1 | C24 | H19 | 179.3° | 180.0° |
| N23 | C24 | N1 | H19 | 180.0° | 179.6° |
| N23 | C24 | N1 | C2 | 179.1° | 179.6° |
| C5 | C6 | C7 | H5 | 120.6° | 118.7° |
| C5 | C6 | C7 | H6 | 120.6° | 118.6° |
| C6 | C5 | C4 | C9 | 108.5° | 113.3° |
| C6 | C5 | C4 | H15 | 127.2° | 123.2° |
| C6 | C5 | C9 | H15 | 116.9° | 118.4° |
| C6 | C5 | C4 | C2 | 173.7° | 173.3° |
| C5 | C6 | C7 | C8 | 4.5° | 23.6° |
| C6 | C5 | C9 | C8 | 31.6° | 37.9° |
| C6 | C5 | C4 | H1 | 65.6° | 53.4° |
| C6 | C5 | C4 | H2 | 52.9° | 66.7° |
| C5 | C6 | C7 | H3 | 114.3° | 95.7° |
| C5 | C6 | C7 | H4 | 123.3° | 142.9° |
| C5 | C6 | H5 | H6 | 118.3° | 122.6° |
| C6 | C5 | C9 | H7 | 88.2° | 156.6° |
| C6 | C5 | C9 | H8 | 151.4° | 80.8° |
| C7 | C6 | C5 | C4 | 137.7° | 156.3° |
| C7 | C6 | C5 | C9 | 22.1° | 37.9° |
| C6 | C7 | C8 | H3 | 118.9° | 119.3° |
| C6 | C7 | C8 | H4 | 118.8° | 119.3° |
| C6 | C7 | C8 | C9 | 16.3° | 0.0° |
| C6 | C7 | H3 | H4 | 123.4° | 121.4° |
| C7 | C6 | H5 | H6 | 118.3° | 122.7° |
| C6 | C7 | C8 | H11 | 103.4° | 119.3° |
| C6 | C7 | C8 | H12 | 136.1° | 119.3° |
| C7 | C6 | C5 | H15 | 94.9° | 80.6° |
| O11 | C3 | C2 | N1 | 35.1° | 1.7° |
| O11 | C3 | C2 | C4 | 92.5° | 121.7° |
| O11 | C3 | C2 | N10 | 178.9° | 180.0° |
| O11 | C3 | N10 | C12 | 4.0° | 0.8° |
| O11 | C3 | C2 | H14 | 148.4° | 118.3° |
| O11 | C3 | N10 | H16 | 176.0° | 179.2° |
| C24 | N1 | C2 | C4 | 120.8° | 60.0° |
| C24 | N1 | C2 | C3 | 107.2° | 60.0° |
| C24 | N1 | C21 | H10 | 179.1° | 180.0° |
| C24 | N1 | C2 | H14 | 6.4° | 180.0° |
| N1 | C2 | C4 | C5 | 46.8° | 61.1° |
| N1 | C2 | C4 | C3 | 126.0° | 120.0° |
| N1 | C2 | C4 | H14 | 114.6° | 120.0° |
| N1 | C2 | C3 | H14 | 113.4° | 120.0° |
| N1 | C2 | C3 | N10 | 146.0° | 178.3° |
| N1 | C2 | C4 | H1 | 167.6° | 58.9° |
| N1 | C2 | C4 | H2 | 73.9° | 178.9° |
| C2 | N1 | C21 | H10 | 0.6° | 0.0° |
| C2 | N1 | C24 | H19 | 0.9° | 0.0° |
| C4 | C5 | C9 | H15 | 124.3° | 123.3° |
| C5 | C4 | C2 | H1 | 120.8° | 120.0° |
| C5 | C4 | C2 | H2 | 120.7° | 120.0° |
| C5 | C4 | C2 | C3 | 172.8° | 178.9° |
| C4 | C5 | C9 | C8 | 150.4° | 156.3° |
| C5 | C4 | H1 | H2 | 117.7° | 120.1° |
| C4 | C5 | C6 | H5 | 101.7° | 37.5° |
| C4 | C5 | C6 | H6 | 17.2° | 85.1° |
| C4 | C5 | C9 | H7 | 30.7° | 85.1° |
| C4 | C5 | C9 | H8 | 89.8° | 37.6° |
| C5 | C4 | C2 | H14 | 67.7° | 58.9° |
| C9 | C5 | C4 | C2 | 77.8° | 73.3° |
| C5 | C9 | C8 | C7 | 32.1° | 23.6° |
| C5 | C9 | C8 | H7 | 119.8° | 118.7° |
| C5 | C9 | C8 | H8 | 119.8° | 118.8° |
| C9 | C5 | C4 | H1 | 42.9° | 166.7° |
| C9 | C5 | C4 | H2 | 161.4° | 46.7° |
| C9 | C5 | C6 | H5 | 142.6° | 80.8° |
| C9 | C5 | C6 | H6 | 98.5° | 156.6° |
| C5 | C9 | H7 | H8 | 120.7° | 122.7° |
| C5 | C9 | C8 | H11 | 87.6° | 95.6° |
| C5 | C9 | C8 | H12 | 151.9° | 142.8° |
| C4 | C2 | C3 | H14 | 119.1° | 120.0° |
| C4 | C2 | C3 | N10 | 86.4° | 58.3° |
| C2 | C4 | H1 | H2 | 117.7° | 119.9° |
| C2 | C4 | C5 | H15 | 46.4° | 50.2° |
| C7 | C8 | C9 | H11 | 119.7° | 119.3° |
| C7 | C8 | C9 | H12 | 119.8° | 119.2° |
| C8 | C7 | H3 | H4 | 123.3° | 121.4° |
| C8 | C7 | C6 | H5 | 125.0° | 95.1° |
| C8 | C7 | C6 | H6 | 116.1° | 142.2° |
| C7 | C8 | C9 | H7 | 87.7° | 142.3° |
| C7 | C8 | C9 | H8 | 151.9° | 95.2° |
| C7 | C8 | H11 | H12 | 120.7° | 121.4° |
| C2 | C3 | N10 | C12 | 177.1° | 179.3° |
| C3 | C2 | C4 | H1 | 66.4° | 61.1° |
| C3 | C2 | C4 | H2 | 52.1° | 58.9° |
| C2 | C3 | N10 | H16 | 2.9° | 0.8° |
| C3 | N10 | C12 | C13 | 2.6° | 20.1° |
| C3 | N10 | C12 | H16 | 180.0° | 180.0° |
| C3 | N10 | C12 | N17 | 179.0° | 159.9° |
| N10 | C3 | C2 | H14 | 32.7° | 61.7° |
| C14 | C13 | C12 | H9 | 180.0° | 179.7° |
| C13 | C14 | C15 | H17 | 180.0° | 179.9° |
| C14 | C13 | C12 | N10 | 174.0° | 180.0° |
| C14 | C13 | C12 | N17 | 2.1° | 0.1° |
| C13 | C14 | C15 | C18 | 179.5° | 180.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C12 | C13 | C14 | C15 | 1.5° | 0.1° |
| C13 | C12 | N10 | N17 | 176.3° | 179.9° |
| C13 | C12 | N17 | C16 | 1.0° | 0.1° |
| C13 | C12 | N10 | H16 | 177.4° | 159.9° |
| C12 | C13 | C14 | H17 | 178.4° | 180.0° |
| C9 | C8 | C7 | H3 | 135.2° | 119.3° |
| C9 | C8 | C7 | H4 | 102.5° | 119.3° |
| C8 | C9 | H7 | H8 | 120.7° | 122.5° |
| C9 | C8 | H11 | H12 | 120.7° | 121.5° |
| C8 | C9 | C5 | H15 | 85.3° | 80.4° |
| C14 | C15 | C18 | O19 | 1.4° | 0.1° |
| C14 | C15 | C18 | C16 | 179.7° | 179.9° |
| C14 | C15 | C16 | N17 | 0.9° | 0.1° |
| C14 | C15 | C18 | O20 | 179.4° | 180.0° |
| C15 | C14 | C13 | H9 | 178.5° | 179.7° |
| C14 | C15 | C16 | H13 | 179.1° | 179.9° |
| N10 | C12 | N17 | C16 | 175.7° | 180.0° |
| N10 | C12 | C13 | H9 | 6.0° | 0.3° |
| C12 | N17 | C16 | C15 | 0.4° | 0.1° |
| N17 | C12 | C13 | H9 | 178.0° | 179.7° |
| C12 | N17 | C16 | H13 | 179.6° | 180.0° |
| N17 | C12 | N10 | H16 | 1.0° | 20.2° |
| O19 | C18 | C15 | O20 | 179.1° | 180.0° |
| O19 | C18 | C15 | C16 | 178.9° | 180.0° |
| O19 | C18 | O20 | H18 | 0.0° | 0.0° |
| C18 | C15 | C16 | N17 | 179.5° | 180.0° |
| C18 | C15 | C16 | H13 | 0.5° | 0.1° |
| C18 | C15 | C14 | H17 | 0.5° | 0.1° |
| C15 | C18 | O20 | H18 | 179.1° | 180.0° |
| C15 | C16 | N17 | H13 | 180.0° | 179.9° |
| C16 | C15 | C18 | O20 | 0.2° | 0.0° |
| C16 | C15 | C14 | H17 | 179.8° | 180.0° |
| H1 | C4 | C2 | H14 | 53.0° | 178.9° |
| H1 | C4 | C5 | H15 | 167.2° | 69.8° |
| H2 | C4 | C2 | H14 | 171.5° | 61.1° |
| H2 | C4 | C5 | H15 | 74.3° | 170.1° |
| H3 | C7 | C6 | H5 | 6.2° | 145.7° |
| H3 | C7 | C6 | H6 | 125.1° | 23.0° |
| H3 | C7 | C8 | H11 | 15.4° | 0.0° |
| H3 | C7 | C8 | H12 | 105.1° | 121.5° |
| H4 | C7 | C6 | H5 | 116.1° | 24.2° |
| H4 | C7 | C6 | H6 | 2.8° | 98.5° |
| H4 | C7 | C8 | H11 | 137.7° | 121.4° |
| H4 | C7 | C8 | H12 | 17.2° | 0.1° |
| H5 | C6 | C5 | H15 | 25.6° | 160.7° |
| H6 | C6 | C5 | H15 | 144.5° | 38.1° |
| H7 | C9 | C8 | H11 | 152.6° | 23.0° |
| H7 | C9 | C8 | H12 | 32.1° | 98.5° |
| H7 | C9 | C5 | H15 | 154.9° | 38.2° |
| H8 | C9 | C8 | H11 | 32.1° | 145.6° |
| H8 | C9 | C8 | H12 | 88.4° | 24.1° |
| H8 | C9 | C5 | H15 | 34.5° | 160.9° |
| H9 | C13 | C14 | H17 | 1.6° | 0.2° |
