HDJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C8 | sing | 1.35Å | 1.35Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C35 | C10 | sing | 1.51Å | 1.50Å | |
| N2 | C17 | trip | 1.14Å | 1.16Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C15 | sing | 1.47Å | 1.46Å | |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C5 | sing | 1.48Å | 1.49Å | |
| C7 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C13 | sing | 1.54Å | 1.51Å | |
| C15 | N1 | sing | 1.48Å | 1.49Å | |
| C12 | F1 | sing | 1.35Å | 1.34Å | |
| C2 | C13 | sing | 1.51Å | 1.49Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.54Å | 1.52Å | |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C14 | sing | 1.48Å | 1.48Å | |
| F3 | C16 | sing | 1.40Å | 1.37Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C35 | H9 | sing | 1.09Å | 1.10Å | |
| C35 | H10 | sing | 1.09Å | 1.10Å | |
| C35 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.08Å | 1.08Å | |
| C6 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| N1 | H15 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C8 | C9 | 118.6° | 120.1° |
| F2 | C8 | C7 | 120.6° | 120.0° |
| C8 | C9 | C10 | 119.8° | 120.1° |
| C9 | C8 | C7 | 120.8° | 119.9° |
| C8 | C9 | H14 | 120.1° | 119.9° |
| C9 | C10 | C35 | 119.2° | 119.9° |
| C9 | C10 | C11 | 119.9° | 120.3° |
| C10 | C9 | H14 | 120.1° | 119.9° |
| C8 | C7 | C5 | 117.7° | 120.2° |
| C8 | C7 | C12 | 119.3° | 119.7° |
| C35 | C10 | C11 | 120.9° | 119.8° |
| C10 | C35 | H9 | 109.5° | 109.5° |
| C10 | C35 | H10 | 109.5° | 109.5° |
| C10 | C35 | H11 | 109.5° | 109.5° |
| N2 | C17 | C15 | 178.6° | 180.0° |
| C10 | C11 | C12 | 120.1° | 120.1° |
| C10 | C11 | H1 | 119.9° | 119.9° |
| C3 | C4 | C5 | 119.7° | 119.9° |
| C4 | C3 | C2 | 121.2° | 120.1° |
| C4 | C3 | H8 | 119.4° | 119.9° |
| C3 | C4 | H12 | 120.2° | 120.1° |
| C4 | C5 | C7 | 123.8° | 120.1° |
| C4 | C5 | C6 | 119.0° | 119.7° |
| C5 | C4 | H12 | 120.2° | 120.0° |
| C17 | C15 | C13 | 110.4° | 113.8° |
| C17 | C15 | N1 | 114.3° | 113.8° |
| C17 | C15 | H7 | 113.9° | 112.9° |
| C3 | C2 | C13 | 120.1° | 119.9° |
| C3 | C2 | C1 | 118.9° | 120.2° |
| C2 | C3 | H8 | 119.4° | 119.9° |
| C5 | C7 | C12 | 122.8° | 120.1° |
| C7 | C5 | C6 | 117.0° | 120.2° |
| C7 | C12 | C11 | 120.1° | 119.8° |
| C7 | C12 | F1 | 120.7° | 120.1° |
| C5 | C6 | C1 | 121.2° | 119.9° |
| C5 | C6 | H13 | 119.4° | 120.0° |
| C11 | C12 | F1 | 119.2° | 120.0° |
| C12 | C11 | H1 | 119.9° | 120.0° |
| C13 | C15 | N1 | 89.0° | 86.1° |
| C15 | C13 | C2 | 113.0° | 113.8° |
| C15 | C13 | C14 | 89.2° | 86.3° |
| C15 | C13 | H2 | 110.1° | 113.7° |
| C13 | C15 | H7 | 113.2° | 113.7° |
| C15 | N1 | C14 | 92.0° | 90.8° |
| N1 | C15 | H7 | 113.6° | 113.9° |
| C15 | N1 | H15 | 113.6° | 110.9° |
| C13 | C2 | C1 | 120.8° | 119.9° |
| C2 | C13 | C14 | 122.2° | 113.8° |
| C2 | C13 | H2 | 110.5° | 112.9° |
| C2 | C1 | C6 | 119.9° | 120.2° |
| C2 | C1 | H6 | 120.0° | 119.9° |
| C13 | C14 | N1 | 89.0° | 86.2° |
| C13 | C14 | C16 | 117.7° | 113.7° |
| C14 | C13 | H2 | 110.0° | 113.7° |
| C13 | C14 | H3 | 112.5° | 113.8° |
| C6 | C1 | H6 | 120.0° | 119.9° |
| C1 | C6 | H13 | 119.4° | 120.1° |
| N1 | C14 | C16 | 109.5° | 113.7° |
| N1 | C14 | H3 | 113.3° | 113.9° |
| C14 | N1 | H15 | 113.7° | 111.0° |
| F3 | C16 | C14 | 110.3° | 109.5° |
| F3 | C16 | H4 | 109.3° | 109.5° |
| F3 | C16 | H5 | 109.3° | 109.5° |
| C16 | C14 | H3 | 112.6° | 112.9° |
| C14 | C16 | H4 | 109.3° | 109.5° |
| C14 | C16 | H5 | 109.3° | 109.4° |
| H4 | C16 | H5 | 109.5° | 109.5° |
| H9 | C35 | H10 | 109.5° | 109.5° |
| H9 | C35 | H11 | 109.5° | 109.5° |
| H10 | C35 | H11 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C8 | C9 | C7 | 179.1° | 179.5° |
| F2 | C8 | C9 | C10 | 180.0° | 179.8° |
| F2 | C8 | C7 | C5 | 3.5° | 0.0° |
| F2 | C8 | C7 | C12 | 178.6° | 180.0° |
| F2 | C8 | C9 | H14 | 0.0° | 0.5° |
| C8 | C9 | C10 | H14 | 180.0° | 179.3° |
| C8 | C9 | C10 | C35 | 179.7° | 179.5° |
| C8 | C9 | C10 | C11 | 0.3° | 0.4° |
| C9 | C8 | C7 | C5 | 177.4° | 179.5° |
| C9 | C8 | C7 | C12 | 2.3° | 0.5° |
| C10 | C9 | C8 | C7 | 0.9° | 0.7° |
| C9 | C10 | C35 | C11 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.0° | 0.1° |
| C9 | C10 | C11 | H1 | 180.0° | 179.8° |
| C9 | C10 | C35 | H9 | 90.0° | 90.0° |
| C9 | C10 | C35 | H10 | 149.9° | 30.0° |
| C9 | C10 | C35 | H11 | 30.0° | 150.1° |
| C8 | C7 | C5 | C4 | 54.5° | 65.0° |
| C8 | C7 | C5 | C12 | 174.9° | 180.0° |
| C8 | C7 | C5 | C6 | 121.0° | 115.2° |
| C8 | C7 | C12 | C11 | 2.6° | 0.0° |
| C8 | C7 | C12 | F1 | 179.0° | 180.0° |
| C7 | C8 | C9 | H14 | 179.1° | 180.0° |
| C35 | C10 | C11 | C12 | 180.0° | 180.0° |
| C35 | C10 | C11 | H1 | 0.1° | 0.3° |
| C10 | C35 | H9 | H10 | 120.0° | 120.0° |
| C10 | C35 | H9 | H11 | 120.0° | 120.0° |
| C10 | C35 | H10 | H11 | 120.0° | 120.0° |
| C35 | C10 | C9 | H14 | 0.3° | 0.2° |
| N2 | C17 | C15 | C13 | 53.3° | 8.4° |
| N2 | C17 | C15 | N1 | 151.8° | 88.1° |
| N2 | C17 | C15 | H7 | 75.3° | 140.0° |
| C10 | C11 | C12 | C7 | 1.5° | 0.3° |
| C10 | C11 | C12 | H1 | 180.0° | 179.7° |
| C10 | C11 | C12 | F1 | 179.9° | 179.8° |
| C11 | C10 | C35 | H9 | 90.0° | 90.0° |
| C11 | C10 | C35 | H10 | 30.0° | 150.0° |
| C11 | C10 | C35 | H11 | 150.0° | 30.0° |
| C11 | C10 | C9 | H14 | 179.7° | 179.7° |
| C3 | C4 | C5 | H12 | 180.0° | 179.9° |
| C4 | C3 | C2 | H8 | 180.0° | 180.0° |
| C3 | C4 | C5 | C7 | 177.4° | 179.9° |
| C3 | C4 | C5 | C6 | 2.0° | 0.3° |
| C4 | C3 | C2 | C13 | 178.0° | 180.0° |
| C4 | C3 | C2 | C1 | 2.1° | 0.1° |
| C5 | C4 | C3 | C2 | 0.0° | 0.1° |
| C4 | C5 | C7 | C6 | 175.5° | 179.8° |
| C4 | C5 | C7 | C12 | 130.6° | 115.0° |
| C4 | C5 | C6 | C1 | 1.9° | 0.5° |
| C5 | C4 | C3 | H8 | 179.9° | 180.0° |
| C4 | C5 | C6 | H13 | 178.1° | 180.0° |
| C17 | C15 | C13 | N1 | 115.6° | 114.3° |
| C17 | C15 | C13 | H7 | 129.0° | 131.2° |
| C17 | C15 | N1 | H7 | 133.1° | 131.4° |
| C17 | C15 | C13 | C2 | 112.5° | 155.0° |
| C17 | C15 | C13 | C14 | 122.6° | 90.6° |
| C17 | C15 | N1 | C14 | 119.1° | 89.6° |
| C17 | C15 | C13 | H2 | 11.5° | 23.7° |
| C17 | C15 | N1 | H15 | 2.2° | 23.3° |
| C3 | C2 | C13 | C15 | 17.2° | 36.8° |
| C3 | C2 | C13 | C1 | 175.9° | 179.9° |
| C3 | C2 | C13 | C14 | 121.7° | 59.9° |
| C3 | C2 | C1 | C6 | 2.2° | 0.3° |
| C3 | C2 | C13 | H2 | 106.6° | 168.5° |
| C3 | C2 | C1 | H6 | 177.8° | 180.0° |
| C2 | C3 | C4 | H12 | 179.9° | 180.0° |
| C5 | C7 | C12 | C11 | 177.4° | 180.0° |
| C5 | C7 | C12 | F1 | 4.2° | 0.1° |
| C7 | C5 | C6 | C1 | 177.7° | 179.7° |
| C7 | C5 | C4 | H12 | 2.6° | 0.0° |
| C7 | C5 | C6 | H13 | 2.3° | 0.2° |
| C12 | C7 | C5 | C6 | 53.9° | 64.8° |
| C7 | C12 | C11 | F1 | 178.4° | 179.9° |
| C7 | C12 | C11 | H1 | 178.6° | 180.0° |
| C5 | C6 | C1 | C2 | 0.2° | 0.6° |
| C5 | C6 | C1 | H13 | 180.0° | 179.4° |
| C5 | C6 | C1 | H6 | 179.8° | 179.8° |
| C6 | C5 | C4 | H12 | 178.1° | 179.8° |
| C13 | C15 | N1 | H7 | 114.9° | 114.3° |
| C15 | C13 | C2 | C14 | 104.4° | 96.7° |
| C15 | C13 | C2 | H2 | 123.8° | 131.6° |
| C15 | C13 | C2 | C1 | 166.9° | 143.2° |
| C15 | C13 | C14 | H2 | 111.1° | 114.3° |
| C13 | C15 | N1 | C14 | 7.1° | 24.7° |
| C15 | C13 | C14 | C16 | 104.6° | 138.1° |
| C15 | C13 | C14 | H3 | 121.9° | 90.7° |
| C13 | C15 | N1 | H15 | 109.8° | 137.6° |
| N1 | C15 | C13 | C2 | 131.9° | 90.7° |
| C15 | N1 | C14 | H15 | 116.9° | 112.8° |
| C15 | N1 | C14 | C16 | 112.1° | 139.0° |
| N1 | C15 | C13 | H2 | 104.1° | 138.1° |
| C15 | N1 | C14 | H3 | 121.3° | 89.6° |
| F1 | C12 | C11 | H1 | 0.2° | 0.1° |
| C2 | C13 | C14 | H2 | 131.9° | 131.2° |
| C13 | C2 | C1 | C6 | 178.1° | 179.7° |
| C2 | C13 | C14 | N1 | 123.9° | 90.7° |
| C2 | C13 | C14 | C16 | 12.3° | 23.6° |
| C2 | C13 | C14 | H3 | 121.2° | 154.8° |
| C13 | C2 | C1 | H6 | 1.9° | 0.1° |
| C2 | C13 | C15 | H7 | 16.6° | 23.8° |
| C13 | C2 | C3 | H8 | 1.9° | 0.0° |
| C1 | C2 | C13 | C14 | 62.5° | 120.0° |
| C2 | C1 | C6 | H6 | 180.0° | 179.7° |
| C1 | C2 | C13 | H2 | 69.3° | 11.6° |
| C1 | C2 | C3 | H8 | 177.9° | 179.9° |
| C2 | C1 | C6 | H13 | 179.8° | 180.0° |
| C13 | C14 | N1 | C16 | 119.2° | 114.3° |
| C13 | C14 | N1 | H3 | 114.2° | 114.4° |
| C13 | C14 | C16 | F3 | 55.2° | 180.0° |
| C13 | C14 | C16 | H3 | 133.5° | 131.6° |
| C13 | C14 | C16 | H4 | 175.3° | 60.0° |
| C13 | C14 | C16 | H5 | 64.9° | 60.0° |
| C14 | C13 | C15 | H7 | 108.4° | 138.2° |
| C13 | C14 | N1 | H15 | 109.8° | 137.6° |
| N1 | C14 | C16 | F3 | 44.3° | 83.5° |
| N1 | C14 | C16 | H3 | 127.0° | 131.8° |
| N1 | C14 | C13 | H2 | 104.2° | 138.1° |
| N1 | C14 | C16 | H4 | 75.8° | 36.6° |
| N1 | C14 | C16 | H5 | 164.4° | 156.5° |
| C14 | N1 | C15 | H7 | 107.8° | 139.0° |
| F3 | C16 | C14 | H4 | 120.1° | 120.0° |
| F3 | C16 | C14 | H5 | 120.1° | 120.0° |
| F3 | C16 | C14 | H3 | 171.3° | 48.3° |
| F3 | C16 | H4 | H5 | 119.6° | 120.0° |
| C16 | C14 | C13 | H2 | 144.3° | 107.6° |
| C14 | C16 | H4 | H5 | 119.6° | 120.0° |
| C16 | C14 | N1 | H15 | 131.0° | 108.1° |
| H2 | C13 | C14 | H3 | 10.7° | 23.6° |
| H2 | C13 | C15 | H7 | 140.6° | 107.5° |
| H3 | C14 | C16 | H4 | 51.2° | 168.4° |
| H3 | C14 | C16 | H5 | 68.5° | 71.7° |
| H3 | C14 | N1 | H15 | 4.3° | 23.2° |
| H6 | C1 | C6 | H13 | 0.2° | 0.3° |
| H7 | C15 | N1 | H15 | 135.2° | 108.1° |
| H8 | C3 | C4 | H12 | 0.1° | 0.1° |
| H9 | C35 | H10 | H11 | 120.0° | 120.0° |
