HZW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.37Å | Aromatic |
| F25 | C22 | sing | 1.35Å | 1.35Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | N3 | sing | 1.46Å | 1.45Å | |
| C1 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| O5 | C4 | doub | 1.21Å | 1.22Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | CL1 | sing | 1.74Å | 1.74Å | |
| C4 | N3 | sing | 1.35Å | 1.33Å | |
| C4 | C6 | sing | 1.51Å | 1.53Å | |
| O12 | C7 | doub | 1.21Å | 1.21Å | |
| O13 | C6 | sing | 1.43Å | 1.42Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C6 | C10 | sing | 1.55Å | 1.54Å | |
| C7 | N8 | sing | 1.34Å | 1.36Å | |
| C10 | C9 | sing | 1.55Å | 1.52Å | |
| N8 | C11 | sing | 1.40Å | 1.42Å | |
| N8 | C9 | sing | 1.47Å | 1.47Å | |
| C14 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| O13 | H11 | sing | 0.97Å | 0.95Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C23 | C22 | 118.5° | 120.0° |
| C23 | C1 | C2 | 120.7° | 120.0° |
| C23 | C1 | C19 | 119.3° | 120.1° |
| C1 | C23 | H14 | 120.7° | 120.0° |
| C23 | C22 | F25 | 118.0° | 120.0° |
| C23 | C22 | C21 | 123.8° | 120.0° |
| C22 | C23 | H14 | 120.8° | 120.0° |
| F25 | C22 | C21 | 118.2° | 120.1° |
| C1 | C2 | N3 | 111.1° | 109.5° |
| C2 | C1 | C19 | 119.9° | 119.9° |
| C1 | C2 | H1 | 109.1° | 109.4° |
| C1 | C2 | H2 | 109.1° | 109.4° |
| C2 | N3 | C4 | 121.8° | 120.0° |
| N3 | C2 | H1 | 109.1° | 109.5° |
| N3 | C2 | H2 | 109.0° | 109.5° |
| C2 | N3 | H10 | 119.1° | 120.1° |
| C1 | C19 | C20 | 119.7° | 120.0° |
| C1 | C19 | H8 | 120.1° | 120.0° |
| C22 | C21 | C20 | 116.7° | 120.0° |
| C22 | C21 | H9 | 121.6° | 120.0° |
| O5 | C4 | N3 | 122.0° | 120.0° |
| O5 | C4 | C6 | 121.1° | 120.0° |
| C19 | C20 | C21 | 121.9° | 120.0° |
| C19 | C20 | CL1 | 119.0° | 120.0° |
| C20 | C19 | H8 | 120.1° | 120.0° |
| C21 | C20 | CL1 | 119.1° | 120.0° |
| C20 | C21 | H9 | 121.7° | 120.0° |
| N3 | C4 | C6 | 116.8° | 120.0° |
| C4 | N3 | H10 | 119.1° | 120.0° |
| C4 | C6 | O13 | 113.1° | 110.5° |
| C4 | C6 | C7 | 111.2° | 110.5° |
| C4 | C6 | C10 | 111.5° | 110.5° |
| O12 | C7 | C6 | 125.8° | 124.9° |
| O12 | C7 | N8 | 125.7° | 125.0° |
| O13 | C6 | C7 | 101.4° | 110.5° |
| O13 | C6 | C10 | 113.5° | 110.6° |
| C6 | O13 | H11 | 109.5° | 114.0° |
| C7 | C6 | C10 | 105.4° | 104.2° |
| C6 | C7 | N8 | 108.5° | 110.1° |
| C6 | C10 | C9 | 105.7° | 101.7° |
| C6 | C10 | H4 | 110.4° | 110.9° |
| C6 | C10 | H15 | 110.4° | 111.0° |
| C7 | N8 | C11 | 125.9° | 124.3° |
| C7 | N8 | C9 | 113.6° | 111.3° |
| C10 | C9 | N8 | 106.2° | 105.5° |
| C10 | C9 | H3 | 110.3° | 110.3° |
| C9 | C10 | H4 | 110.4° | 111.0° |
| C9 | C10 | H15 | 110.4° | 111.0° |
| C10 | C9 | H16 | 110.3° | 110.2° |
| C11 | N8 | C9 | 120.4° | 124.4° |
| N8 | C11 | C14 | 119.8° | 120.0° |
| N8 | C11 | C18 | 120.5° | 120.1° |
| N8 | C9 | H3 | 110.3° | 110.2° |
| N8 | C9 | H16 | 110.3° | 110.3° |
| C11 | C14 | C15 | 119.7° | 119.9° |
| C14 | C11 | C18 | 119.7° | 119.9° |
| C11 | C14 | H5 | 120.1° | 120.0° |
| C14 | C15 | C16 | 120.4° | 120.1° |
| C15 | C14 | H5 | 120.1° | 120.0° |
| C14 | C15 | H6 | 119.8° | 119.9° |
| C11 | C18 | C17 | 119.8° | 119.9° |
| C11 | C18 | H13 | 120.1° | 120.0° |
| C15 | C16 | C17 | 120.0° | 120.2° |
| C16 | C15 | H6 | 119.8° | 120.0° |
| C15 | C16 | H7 | 120.0° | 119.9° |
| C18 | C17 | C16 | 120.4° | 120.1° |
| C18 | C17 | H12 | 119.8° | 120.0° |
| C17 | C18 | H13 | 120.1° | 120.0° |
| C17 | C16 | H7 | 120.0° | 119.9° |
| C16 | C17 | H12 | 119.8° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H3 | C9 | H16 | 109.5° | 110.2° |
| H4 | C10 | H15 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C23 | C22 | H14 | 180.0° | 179.4° |
| C1 | C23 | C22 | F25 | 177.7° | 179.7° |
| C23 | C1 | C2 | C19 | 176.3° | 179.7° |
| C23 | C1 | C2 | N3 | 133.1° | 90.3° |
| C1 | C23 | C22 | C21 | 0.8° | 0.6° |
| C23 | C1 | C19 | C20 | 1.0° | 0.3° |
| C23 | C1 | C2 | H1 | 106.6° | 29.8° |
| C23 | C1 | C2 | H2 | 12.9° | 149.7° |
| C23 | C1 | C19 | H8 | 179.0° | 179.7° |
| C23 | C22 | F25 | C21 | 178.6° | 179.7° |
| C22 | C23 | C1 | C2 | 175.3° | 179.7° |
| C22 | C23 | C1 | C19 | 1.1° | 0.6° |
| C23 | C22 | C21 | C20 | 0.4° | 0.3° |
| C23 | C22 | C21 | H9 | 179.6° | 179.7° |
| F25 | C22 | C21 | C20 | 178.1° | 180.0° |
| F25 | C22 | C21 | H9 | 1.9° | 0.1° |
| F25 | C22 | C23 | H14 | 2.3° | 0.3° |
| C1 | C2 | N3 | H1 | 120.3° | 120.0° |
| C1 | C2 | N3 | H2 | 120.3° | 120.0° |
| C2 | C1 | C19 | C20 | 175.4° | 180.0° |
| C1 | C2 | N3 | C4 | 156.1° | 180.0° |
| C1 | C2 | H1 | H2 | 119.3° | 119.9° |
| C2 | C1 | C19 | H8 | 4.6° | 0.0° |
| C1 | C2 | N3 | H10 | 23.9° | 0.0° |
| C2 | C1 | C23 | H14 | 4.7° | 0.3° |
| N3 | C2 | C1 | C19 | 43.2° | 90.0° |
| C2 | N3 | C4 | O5 | 7.9° | 0.1° |
| C2 | N3 | C4 | H10 | 180.0° | 179.9° |
| C2 | N3 | C4 | C6 | 171.8° | 180.0° |
| N3 | C2 | H1 | H2 | 119.2° | 120.1° |
| C1 | C19 | C20 | H8 | 180.0° | 180.0° |
| C1 | C19 | C20 | C21 | 0.6° | 0.0° |
| C1 | C19 | C20 | CL1 | 178.6° | 180.0° |
| C19 | C1 | C2 | H1 | 77.0° | 149.9° |
| C19 | C1 | C2 | H2 | 163.5° | 30.0° |
| C19 | C1 | C23 | H14 | 179.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.3° | 0.0° |
| C22 | C21 | C20 | H9 | 180.0° | 179.9° |
| C22 | C21 | C20 | CL1 | 178.9° | 180.0° |
| C21 | C22 | C23 | H14 | 179.2° | 180.0° |
| O5 | C4 | N3 | C6 | 179.7° | 179.9° |
| O5 | C4 | C6 | O13 | 25.4° | 143.9° |
| O5 | C4 | C6 | C7 | 138.7° | 93.6° |
| O5 | C4 | C6 | C10 | 104.1° | 21.2° |
| O5 | C4 | N3 | H10 | 172.1° | 180.0° |
| C19 | C20 | C21 | CL1 | 179.1° | 180.0° |
| C19 | C20 | C21 | H9 | 179.7° | 180.0° |
| C21 | C20 | C19 | H8 | 179.4° | 180.0° |
| CL1 | C20 | C19 | H8 | 1.4° | 0.0° |
| CL1 | C20 | C21 | H9 | 1.1° | 0.0° |
| N3 | C4 | C6 | O13 | 154.3° | 36.1° |
| N3 | C4 | C6 | C7 | 41.0° | 86.5° |
| N3 | C4 | C6 | C10 | 76.3° | 158.7° |
| C4 | N3 | C2 | H1 | 35.9° | 60.0° |
| C4 | N3 | C2 | H2 | 83.6° | 60.0° |
| C4 | C6 | C7 | O12 | 61.9° | 44.8° |
| C4 | C6 | O13 | C7 | 119.2° | 122.6° |
| C4 | C6 | O13 | C10 | 128.3° | 122.6° |
| C4 | C6 | C7 | C10 | 120.9° | 118.7° |
| C4 | C6 | C7 | N8 | 118.3° | 134.9° |
| C4 | C6 | C10 | C9 | 114.3° | 143.5° |
| C4 | C6 | C10 | H4 | 126.3° | 25.4° |
| C6 | C4 | N3 | H10 | 8.2° | 0.1° |
| C4 | C6 | O13 | H11 | 10.7° | 59.3° |
| C4 | C6 | C10 | H15 | 5.1° | 98.4° |
| O12 | C7 | C6 | O13 | 58.6° | 77.8° |
| O12 | C7 | C6 | N8 | 179.7° | 179.7° |
| O12 | C7 | C6 | C10 | 177.1° | 163.5° |
| O12 | C7 | N8 | C11 | 6.5° | 0.1° |
| O12 | C7 | N8 | C9 | 177.6° | 179.9° |
| O13 | C6 | C7 | C10 | 118.5° | 118.8° |
| O13 | C6 | C7 | N8 | 121.1° | 102.5° |
| O13 | C6 | C10 | C9 | 116.5° | 93.9° |
| O13 | C6 | C10 | H4 | 2.9° | 148.0° |
| O13 | C6 | C10 | H15 | 124.1° | 24.2° |
| C7 | C6 | C10 | C9 | 6.5° | 24.8° |
| C6 | C7 | N8 | C11 | 173.3° | 179.6° |
| C6 | C7 | N8 | C9 | 2.7° | 0.4° |
| C7 | C6 | C10 | H4 | 112.9° | 93.3° |
| C7 | C6 | O13 | H11 | 129.9° | 63.3° |
| C7 | C6 | C10 | H15 | 125.9° | 142.9° |
| C10 | C6 | C7 | N8 | 2.6° | 16.2° |
| C6 | C10 | C9 | H4 | 119.4° | 118.1° |
| C6 | C10 | C9 | H15 | 119.4° | 118.2° |
| C6 | C10 | C9 | N8 | 8.0° | 25.4° |
| C6 | C10 | C9 | H3 | 127.5° | 93.6° |
| C6 | C10 | H4 | H15 | 121.7° | 123.9° |
| C10 | C6 | O13 | H11 | 117.6° | 178.1° |
| C6 | C10 | C9 | H16 | 111.5° | 144.5° |
| C7 | N8 | C9 | C10 | 6.9° | 17.0° |
| C7 | N8 | C11 | C9 | 175.7° | 180.0° |
| C7 | N8 | C11 | C14 | 48.9° | 174.0° |
| C7 | N8 | C11 | C18 | 132.6° | 5.8° |
| C7 | N8 | C9 | H3 | 126.4° | 102.0° |
| C7 | N8 | C9 | H16 | 112.6° | 136.1° |
| C10 | C9 | N8 | C11 | 169.3° | 163.0° |
| C10 | C9 | N8 | H3 | 119.5° | 119.0° |
| C10 | C9 | N8 | H16 | 119.5° | 119.0° |
| C10 | C9 | H3 | H16 | 121.5° | 121.9° |
| C9 | C10 | H4 | H15 | 121.7° | 123.8° |
| N8 | C11 | C14 | C18 | 178.6° | 179.8° |
| N8 | C11 | C14 | C15 | 178.3° | 179.7° |
| N8 | C11 | C18 | C17 | 178.2° | 179.7° |
| C11 | N8 | C9 | H3 | 49.8° | 78.0° |
| N8 | C11 | C14 | H5 | 1.7° | 0.1° |
| N8 | C11 | C18 | H13 | 1.8° | 0.3° |
| C11 | N8 | C9 | H16 | 71.2° | 44.0° |
| C9 | N8 | C11 | C14 | 126.8° | 6.0° |
| C9 | N8 | C11 | C18 | 51.7° | 174.2° |
| N8 | C9 | H3 | H16 | 121.5° | 122.0° |
| N8 | C9 | C10 | H4 | 111.4° | 92.6° |
| N8 | C9 | C10 | H15 | 127.4° | 143.6° |
| C11 | C14 | C15 | H5 | 180.0° | 179.8° |
| C11 | C14 | C15 | C16 | 0.1° | 0.1° |
| C14 | C11 | C18 | C17 | 0.3° | 0.1° |
| C11 | C14 | C15 | H6 | 179.9° | 180.0° |
| C14 | C11 | C18 | H13 | 179.7° | 179.9° |
| C15 | C14 | C11 | C18 | 0.3° | 0.1° |
| C14 | C15 | C16 | H6 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | H7 | 179.9° | 180.0° |
| C11 | C18 | C17 | H13 | 180.0° | 180.0° |
| C11 | C18 | C17 | C16 | 0.2° | 0.0° |
| C18 | C11 | C14 | H5 | 179.7° | 179.9° |
| C11 | C18 | C17 | H12 | 179.8° | 179.9° |
| C15 | C16 | C17 | C18 | 0.0° | 0.0° |
| C15 | C16 | C17 | H7 | 180.0° | 180.0° |
| C16 | C15 | C14 | H5 | 179.9° | 179.9° |
| C15 | C16 | C17 | H12 | 180.0° | 179.9° |
| C18 | C17 | C16 | H12 | 180.0° | 179.9° |
| C18 | C17 | C16 | H7 | 180.0° | 180.0° |
| C17 | C16 | C15 | H6 | 180.0° | 180.0° |
| C16 | C17 | C18 | H13 | 179.8° | 180.0° |
| H1 | C2 | N3 | H10 | 144.1° | 120.0° |
| H2 | C2 | N3 | H10 | 96.4° | 119.9° |
| H3 | C9 | C10 | H4 | 8.1° | 148.3° |
| H3 | C9 | C10 | H15 | 113.2° | 24.6° |
| H4 | C10 | C9 | H16 | 129.1° | 26.4° |
| H5 | C14 | C15 | H6 | 0.1° | 0.1° |
| H6 | C15 | C16 | H7 | 0.0° | 0.0° |
| H7 | C16 | C17 | H12 | 0.0° | 0.1° |
| H12 | C17 | C18 | H13 | 0.1° | 0.1° |
| H15 | C10 | C9 | H16 | 7.9° | 97.4° |
