HZK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F20 | C5 | sing | 1.35Å | 1.34Å | |
| C6 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C1 | sing | 1.51Å | 1.49Å | |
| C19 | N17 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | CL7 | sing | 1.74Å | 1.73Å | |
| O18 | C15 | doub | 1.21Å | 1.20Å | |
| N17 | C15 | sing | 1.35Å | 1.33Å | |
| C15 | C12 | sing | 1.51Å | 1.50Å | |
| O16 | C13 | doub | 1.21Å | 1.20Å | |
| O14 | C12 | sing | 1.43Å | 1.43Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | sing | 1.55Å | 1.54Å | |
| C13 | N9 | sing | 1.35Å | 1.34Å | |
| C11 | C10 | sing | 1.55Å | 1.54Å | |
| N9 | C8 | sing | 1.40Å | 1.40Å | |
| N9 | C10 | sing | 1.47Å | 1.46Å | |
| C23 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | N29 | sing | 1.40Å | 1.40Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| N29 | C28 | sing | 1.34Å | 1.34Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.51Å | 1.50Å | |
| C28 | O30 | doub | 1.21Å | 1.21Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C27 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| N29 | H10 | sing | 0.97Å | 1.00Å | |
| C4 | H11 | sing | 1.08Å | 1.08Å | |
| C6 | H12 | sing | 1.08Å | 1.08Å | |
| O14 | H13 | sing | 0.97Å | 0.95Å | |
| N17 | H14 | sing | 0.97Å | 1.00Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F20 | C5 | C6 | 119.8° | 120.0° |
| F20 | C5 | C4 | 120.0° | 120.0° |
| C1 | C6 | C5 | 119.5° | 120.0° |
| C6 | C1 | C19 | 121.2° | 120.0° |
| C6 | C1 | C2 | 120.6° | 120.0° |
| C1 | C6 | H12 | 120.3° | 120.0° |
| C6 | C5 | C4 | 120.2° | 120.0° |
| C5 | C6 | H12 | 120.3° | 120.0° |
| C1 | C19 | N17 | 104.8° | 109.5° |
| C19 | C1 | C2 | 118.2° | 120.0° |
| C1 | C19 | H4 | 110.6° | 109.5° |
| C1 | C19 | H5 | 110.6° | 109.5° |
| C19 | N17 | C15 | 121.6° | 120.0° |
| N17 | C19 | H4 | 110.6° | 109.5° |
| N17 | C19 | H5 | 110.6° | 109.4° |
| C19 | N17 | H14 | 119.2° | 120.0° |
| C1 | C2 | C3 | 119.9° | 120.1° |
| C1 | C2 | H1 | 120.1° | 120.0° |
| C5 | C4 | C3 | 119.7° | 119.9° |
| C5 | C4 | H11 | 120.1° | 120.0° |
| C4 | C3 | C2 | 120.2° | 120.0° |
| C4 | C3 | CL7 | 120.9° | 120.0° |
| C3 | C4 | H11 | 120.2° | 120.1° |
| C2 | C3 | CL7 | 118.9° | 120.0° |
| C3 | C2 | H1 | 120.0° | 120.0° |
| O18 | C15 | N17 | 119.7° | 120.0° |
| O18 | C15 | C12 | 121.1° | 120.0° |
| N17 | C15 | C12 | 119.2° | 120.0° |
| C15 | N17 | H14 | 119.2° | 120.0° |
| C15 | C12 | O14 | 110.3° | 110.6° |
| C15 | C12 | C13 | 112.8° | 110.5° |
| C15 | C12 | C11 | 110.5° | 110.5° |
| O16 | C13 | C12 | 123.4° | 124.9° |
| O16 | C13 | N9 | 125.8° | 124.9° |
| O14 | C12 | C13 | 106.0° | 110.5° |
| O14 | C12 | C11 | 111.3° | 110.5° |
| C12 | O14 | H13 | 109.5° | 114.0° |
| C13 | C12 | C11 | 105.9° | 104.2° |
| C12 | C13 | N9 | 110.8° | 110.1° |
| C12 | C11 | C10 | 103.4° | 101.7° |
| C12 | C11 | H3 | 111.0° | 111.0° |
| C12 | C11 | H18 | 111.0° | 111.0° |
| C13 | N9 | C8 | 125.4° | 124.3° |
| C13 | N9 | C10 | 111.9° | 111.2° |
| C11 | C10 | N9 | 107.4° | 105.6° |
| C11 | C10 | H2 | 110.0° | 110.3° |
| C10 | C11 | H3 | 110.9° | 111.0° |
| C10 | C11 | H18 | 111.0° | 110.9° |
| C11 | C10 | H19 | 110.0° | 110.2° |
| C8 | N9 | C10 | 122.6° | 124.5° |
| N9 | C8 | C23 | 116.9° | 120.0° |
| N9 | C8 | C21 | 123.2° | 120.0° |
| N9 | C10 | H2 | 110.0° | 110.3° |
| N9 | C10 | H19 | 110.0° | 110.3° |
| C8 | C23 | C22 | 120.8° | 120.0° |
| C23 | C8 | C21 | 119.8° | 120.0° |
| C8 | C23 | H15 | 119.6° | 120.0° |
| C23 | C22 | C24 | 119.7° | 120.0° |
| C23 | C22 | H7 | 120.2° | 120.0° |
| C22 | C23 | H15 | 119.6° | 120.0° |
| C8 | C21 | C25 | 119.5° | 120.0° |
| C8 | C21 | H6 | 120.2° | 120.0° |
| C22 | C24 | C25 | 120.1° | 120.0° |
| C22 | C24 | N29 | 119.1° | 120.1° |
| C24 | C22 | H7 | 120.1° | 120.0° |
| C21 | C25 | C24 | 120.1° | 120.0° |
| C21 | C25 | C26 | 120.2° | 120.1° |
| C25 | C21 | H6 | 120.2° | 120.0° |
| C25 | C24 | N29 | 120.9° | 119.9° |
| C24 | C25 | C26 | 119.7° | 119.8° |
| C24 | N29 | C28 | 121.5° | 120.6° |
| C24 | N29 | H10 | 119.2° | 119.8° |
| C25 | C26 | C27 | 111.8° | 109.5° |
| C25 | C26 | H16 | 108.9° | 109.5° |
| C25 | C26 | H17 | 108.9° | 109.5° |
| N29 | C28 | C27 | 120.8° | 120.7° |
| N29 | C28 | O30 | 119.3° | 119.7° |
| C28 | N29 | H10 | 119.3° | 119.5° |
| C26 | C27 | C28 | 112.0° | 109.9° |
| C26 | C27 | H8 | 108.9° | 109.4° |
| C26 | C27 | H9 | 108.8° | 109.4° |
| C27 | C26 | H16 | 108.9° | 109.4° |
| C27 | C26 | H17 | 108.9° | 109.5° |
| C27 | C28 | O30 | 119.9° | 119.6° |
| C28 | C27 | H8 | 108.8° | 109.4° |
| C28 | C27 | H9 | 108.8° | 109.4° |
| H2 | C10 | H19 | 109.5° | 110.2° |
| H3 | C11 | H18 | 109.5° | 110.9° |
| H4 | C19 | H5 | 109.5° | 109.4° |
| H8 | C27 | H9 | 109.5° | 109.3° |
| H16 | C26 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F20 | C5 | C6 | C1 | 179.7° | 179.7° |
| F20 | C5 | C6 | C4 | 179.9° | 179.7° |
| F20 | C5 | C4 | C3 | 179.9° | 180.0° |
| F20 | C5 | C4 | H11 | 0.1° | 0.0° |
| F20 | C5 | C6 | H12 | 0.3° | 0.3° |
| C1 | C6 | C5 | H12 | 180.0° | 179.4° |
| C6 | C1 | C19 | C2 | 178.7° | 179.7° |
| C6 | C1 | C19 | N17 | 136.0° | 89.7° |
| C1 | C6 | C5 | C4 | 0.4° | 0.6° |
| C6 | C1 | C2 | C3 | 0.6° | 0.3° |
| C6 | C1 | C2 | H1 | 179.4° | 179.7° |
| C6 | C1 | C19 | H4 | 104.8° | 30.3° |
| C6 | C1 | C19 | H5 | 16.8° | 150.3° |
| C5 | C6 | C1 | C19 | 179.4° | 179.7° |
| C5 | C6 | C1 | C2 | 0.7° | 0.6° |
| C6 | C5 | C4 | C3 | 0.0° | 0.3° |
| C6 | C5 | C4 | H11 | 180.0° | 179.7° |
| C1 | C19 | N17 | H4 | 119.2° | 120.0° |
| C1 | C19 | N17 | H5 | 119.2° | 120.0° |
| C19 | C1 | C2 | C3 | 179.4° | 180.0° |
| C1 | C19 | N17 | C15 | 171.3° | 180.0° |
| C19 | C1 | C2 | H1 | 0.6° | 0.1° |
| C1 | C19 | H4 | H5 | 122.2° | 120.0° |
| C19 | C1 | C6 | H12 | 0.6° | 0.3° |
| C1 | C19 | N17 | H14 | 8.7° | 0.0° |
| N17 | C19 | C1 | C2 | 42.7° | 90.0° |
| C19 | N17 | C15 | O18 | 0.5° | 0.0° |
| C19 | N17 | C15 | H14 | 180.0° | 180.0° |
| C19 | N17 | C15 | C12 | 179.7° | 179.9° |
| N17 | C19 | H4 | H5 | 122.2° | 120.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | CL7 | 179.9° | 180.0° |
| C2 | C1 | C19 | H4 | 76.5° | 150.0° |
| C2 | C1 | C19 | H5 | 162.0° | 30.0° |
| C2 | C1 | C6 | H12 | 179.3° | 180.0° |
| C5 | C4 | C3 | H11 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C5 | C4 | C3 | CL7 | 179.8° | 180.0° |
| C4 | C5 | C6 | H12 | 179.6° | 180.0° |
| C4 | C3 | C2 | CL7 | 179.9° | 179.9° |
| C4 | C3 | C2 | H1 | 179.8° | 179.9° |
| C2 | C3 | C4 | H11 | 179.9° | 180.0° |
| CL7 | C3 | C2 | H1 | 0.1° | 0.0° |
| CL7 | C3 | C4 | H11 | 0.2° | 0.1° |
| O18 | C15 | N17 | C12 | 179.9° | 179.9° |
| O18 | C15 | C12 | O14 | 27.2° | 143.8° |
| O18 | C15 | C12 | C13 | 145.5° | 93.6° |
| O18 | C15 | C12 | C11 | 96.2° | 21.2° |
| O18 | C15 | N17 | H14 | 179.5° | 179.9° |
| N17 | C15 | C12 | O14 | 152.9° | 36.1° |
| N17 | C15 | C12 | C13 | 34.6° | 86.5° |
| N17 | C15 | C12 | C11 | 83.7° | 158.7° |
| C15 | N17 | C19 | H4 | 52.1° | 60.0° |
| C15 | N17 | C19 | H5 | 69.4° | 60.0° |
| C15 | C12 | C13 | O16 | 55.5° | 45.0° |
| C15 | C12 | O14 | C13 | 122.4° | 122.6° |
| C15 | C12 | O14 | C11 | 122.9° | 122.6° |
| C15 | C12 | C13 | C11 | 120.9° | 118.7° |
| C15 | C12 | C13 | N9 | 126.1° | 134.9° |
| C15 | C12 | C11 | C10 | 129.7° | 143.5° |
| C15 | C12 | C11 | H3 | 111.3° | 25.4° |
| C15 | C12 | O14 | H13 | 11.5° | 61.1° |
| C12 | C15 | N17 | H14 | 0.4° | 0.0° |
| C15 | C12 | C11 | H18 | 10.7° | 98.5° |
| O16 | C13 | C12 | O14 | 65.3° | 77.7° |
| O16 | C13 | C12 | N9 | 178.4° | 179.9° |
| O16 | C13 | C12 | C11 | 176.4° | 163.7° |
| O16 | C13 | N9 | C8 | 1.6° | 0.3° |
| O16 | C13 | N9 | C10 | 178.9° | 179.6° |
| O14 | C12 | C13 | C11 | 118.3° | 118.7° |
| O14 | C12 | C13 | N9 | 113.1° | 102.4° |
| O14 | C12 | C11 | C10 | 107.4° | 93.9° |
| O14 | C12 | C11 | H3 | 11.6° | 148.0° |
| O14 | C12 | C11 | H18 | 133.5° | 24.2° |
| C13 | C12 | C11 | C10 | 7.3° | 24.8° |
| C12 | C13 | N9 | C8 | 176.8° | 179.6° |
| C12 | C13 | N9 | C10 | 0.5° | 0.5° |
| C13 | C12 | C11 | H3 | 126.3° | 93.3° |
| C13 | C12 | O14 | H13 | 133.9° | 61.5° |
| C13 | C12 | C11 | H18 | 111.7° | 142.9° |
| C11 | C12 | C13 | N9 | 5.2° | 16.2° |
| C12 | C11 | C10 | H3 | 119.0° | 118.1° |
| C12 | C11 | C10 | H18 | 119.0° | 118.1° |
| C12 | C11 | C10 | N9 | 7.2° | 25.5° |
| C12 | C11 | C10 | H2 | 112.5° | 93.6° |
| C12 | C11 | H3 | H18 | 122.8° | 123.9° |
| C11 | C12 | O14 | H13 | 111.4° | 176.3° |
| C12 | C11 | C10 | H19 | 126.8° | 144.5° |
| C13 | N9 | C10 | C11 | 4.4° | 17.1° |
| C13 | N9 | C8 | C10 | 177.0° | 180.0° |
| C13 | N9 | C8 | C23 | 54.2° | 174.5° |
| C13 | N9 | C8 | C21 | 129.7° | 5.8° |
| C13 | N9 | C10 | H2 | 115.3° | 102.0° |
| C13 | N9 | C10 | H19 | 124.1° | 136.1° |
| C11 | C10 | N9 | C8 | 178.2° | 162.9° |
| C11 | C10 | N9 | H2 | 119.7° | 119.1° |
| C11 | C10 | N9 | H19 | 119.7° | 119.0° |
| C11 | C10 | H2 | H19 | 121.0° | 121.9° |
| C10 | C11 | H3 | H18 | 122.8° | 123.8° |
| N9 | C8 | C23 | C21 | 176.2° | 179.7° |
| N9 | C8 | C23 | C22 | 178.5° | 179.8° |
| N9 | C8 | C21 | C25 | 178.4° | 180.0° |
| C8 | N9 | C10 | H2 | 62.1° | 78.0° |
| N9 | C8 | C21 | H6 | 1.6° | 0.0° |
| N9 | C8 | C23 | H15 | 1.5° | 0.3° |
| C8 | N9 | C10 | H19 | 58.5° | 43.9° |
| C10 | N9 | C8 | C23 | 122.8° | 5.5° |
| C10 | N9 | C8 | C21 | 53.3° | 174.3° |
| N9 | C10 | H2 | H19 | 120.9° | 121.9° |
| N9 | C10 | C11 | H3 | 126.2° | 92.6° |
| N9 | C10 | C11 | H18 | 111.9° | 143.6° |
| C8 | C23 | C22 | H15 | 180.0° | 179.9° |
| C8 | C23 | C22 | C24 | 1.1° | 0.4° |
| C23 | C8 | C21 | C25 | 2.4° | 0.3° |
| C23 | C8 | C21 | H6 | 177.6° | 179.7° |
| C8 | C23 | C22 | H7 | 178.9° | 179.8° |
| C22 | C23 | C8 | C21 | 2.3° | 0.1° |
| C23 | C22 | C24 | H7 | 180.0° | 179.3° |
| C23 | C22 | C24 | C25 | 0.0° | 0.7° |
| C23 | C22 | C24 | N29 | 179.8° | 179.3° |
| C8 | C21 | C25 | H6 | 180.0° | 180.0° |
| C8 | C21 | C25 | C24 | 1.4° | 0.0° |
| C8 | C21 | C25 | C26 | 179.1° | 179.9° |
| C21 | C8 | C23 | H15 | 177.7° | 180.0° |
| C22 | C24 | C25 | C21 | 0.2° | 0.5° |
| C22 | C24 | C25 | N29 | 179.8° | 180.0° |
| C22 | C24 | C25 | C26 | 179.7° | 179.4° |
| C22 | C24 | N29 | C28 | 164.7° | 162.6° |
| C22 | C24 | N29 | H10 | 15.3° | 18.5° |
| C24 | C22 | C23 | H15 | 178.9° | 179.5° |
| C21 | C25 | C24 | C26 | 179.5° | 179.9° |
| C21 | C25 | C24 | N29 | 179.6° | 179.5° |
| C21 | C25 | C26 | C27 | 152.1° | 146.1° |
| C21 | C25 | C26 | H16 | 87.6° | 26.1° |
| C21 | C25 | C26 | H17 | 31.8° | 93.9° |
| C25 | C24 | N29 | C28 | 15.5° | 17.5° |
| C24 | C25 | C26 | C27 | 28.4° | 34.0° |
| C24 | C25 | C21 | H6 | 178.6° | 180.0° |
| C25 | C24 | C22 | H7 | 180.0° | 180.0° |
| C25 | C24 | N29 | H10 | 164.5° | 161.5° |
| C24 | C25 | C26 | H16 | 92.0° | 154.0° |
| C24 | C25 | C26 | H17 | 148.7° | 86.0° |
| N29 | C24 | C25 | C26 | 0.1° | 0.6° |
| C24 | N29 | C28 | H10 | 180.0° | 179.0° |
| C24 | N29 | C28 | C27 | 0.6° | 1.8° |
| C24 | N29 | C28 | O30 | 180.0° | 178.7° |
| N29 | C24 | C22 | H7 | 0.2° | 0.0° |
| C25 | C26 | C27 | H16 | 120.3° | 120.0° |
| C25 | C26 | C27 | H17 | 120.3° | 120.0° |
| C25 | C26 | C27 | C28 | 40.9° | 48.7° |
| C26 | C25 | C21 | H6 | 0.9° | 0.1° |
| C25 | C26 | C27 | H8 | 161.3° | 168.8° |
| C25 | C26 | C27 | H9 | 79.5° | 71.5° |
| C25 | C26 | H16 | H17 | 118.9° | 120.0° |
| N29 | C28 | C27 | C26 | 29.2° | 35.8° |
| N29 | C28 | C27 | O30 | 179.4° | 179.5° |
| N29 | C28 | C27 | H8 | 149.7° | 155.9° |
| N29 | C28 | C27 | H9 | 91.1° | 84.4° |
| C26 | C27 | C28 | H8 | 120.4° | 120.1° |
| C26 | C27 | C28 | H9 | 120.4° | 120.2° |
| C26 | C27 | C28 | O30 | 151.3° | 144.7° |
| C26 | C27 | H8 | H9 | 118.9° | 119.8° |
| C27 | C26 | H16 | H17 | 119.0° | 120.0° |
| C28 | C27 | H8 | H9 | 118.8° | 119.7° |
| C27 | C28 | N29 | H10 | 179.4° | 179.2° |
| C28 | C27 | C26 | H16 | 79.4° | 168.7° |
| C28 | C27 | C26 | H17 | 161.2° | 71.4° |
| O30 | C28 | C27 | H8 | 30.9° | 24.6° |
| O30 | C28 | C27 | H9 | 88.3° | 95.1° |
| O30 | C28 | N29 | H10 | 0.0° | 0.3° |
| H2 | C10 | C11 | H3 | 6.5° | 148.3° |
| H2 | C10 | C11 | H18 | 128.4° | 24.5° |
| H3 | C11 | C10 | H19 | 114.1° | 26.4° |
| H4 | C19 | N17 | H14 | 127.9° | 120.0° |
| H5 | C19 | N17 | H14 | 110.6° | 120.0° |
| H7 | C22 | C23 | H15 | 1.0° | 0.2° |
| H8 | C27 | C26 | H16 | 41.0° | 71.2° |
| H8 | C27 | C26 | H17 | 78.4° | 48.8° |
| H9 | C27 | C26 | H16 | 160.2° | 48.6° |
| H9 | C27 | C26 | H17 | 40.8° | 168.5° |
| H18 | C11 | C10 | H19 | 7.8° | 97.3° |
