1HL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F29 | C27 | sing | 1.40Å | 1.38Å | |
| F30 | C27 | sing | 1.40Å | 1.43Å | |
| F13 | C12 | sing | 1.35Å | 1.39Å | |
| C27 | F28 | sing | 1.40Å | 1.40Å | |
| C27 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.54Å | 1.54Å | |
| C2 | C6 | sing | 1.53Å | 1.56Å | |
| C12 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C6 | sing | 1.53Å | 1.54Å | |
| C1 | O3 | sing | 1.43Å | 1.43Å | |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C6 | N5 | sing | 1.46Å | 1.45Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| O3 | C4 | sing | 1.35Å | 1.36Å | |
| C10 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| N5 | C4 | doub | 1.29Å | 1.32Å | |
| C4 | N14 | sing | 1.37Å | 1.39Å | |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | N16 | sing | 1.40Å | 1.38Å | |
| O19 | C17 | doub | 1.21Å | 1.22Å | |
| N16 | C17 | sing | 1.35Å | 1.37Å | |
| C17 | C18 | sing | 1.48Å | 1.47Å | |
| C18 | C24 | doub | 1.39Å | 1.42Å | Aromatic |
| C18 | N20 | sing | 1.33Å | 1.35Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| N20 | C21 | doub | 1.31Å | 1.33Å | Aromatic |
| C23 | C22 | doub | 1.40Å | 1.44Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
| C22 | C25 | sing | 1.43Å | 1.44Å | |
| C25 | N26 | trip | 1.14Å | 1.15Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| N14 | H7 | sing | 0.97Å | 1.00Å | |
| N14 | H8 | sing | 0.97Å | 1.00Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| N16 | H12 | sing | 0.97Å | 1.00Å | |
| C21 | 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) |
| F29 | C27 | F30 | 111.8° | 109.5° |
| F29 | C27 | F28 | 105.1° | 109.5° |
| F29 | C27 | C1 | 106.0° | 109.4° |
| F30 | C27 | F28 | 112.9° | 109.5° |
| F30 | C27 | C1 | 112.1° | 109.5° |
| F13 | C12 | C11 | 118.5° | 120.0° |
| F13 | C12 | C7 | 121.3° | 119.9° |
| F28 | C27 | C1 | 108.5° | 109.5° |
| C27 | C1 | C2 | 109.1° | 109.8° |
| C27 | C1 | O3 | 105.2° | 109.7° |
| C27 | C1 | H1 | 109.6° | 109.8° |
| C1 | C2 | C6 | 110.6° | 108.1° |
| C2 | C1 | O3 | 112.2° | 107.9° |
| C2 | C1 | H1 | 109.5° | 109.8° |
| C1 | C2 | H2 | 109.2° | 109.7° |
| C1 | C2 | H3 | 109.2° | 109.7° |
| C2 | C6 | C15 | 108.0° | 109.4° |
| C2 | C6 | C7 | 107.1° | 109.4° |
| C2 | C6 | N5 | 109.8° | 109.8° |
| C6 | C2 | H2 | 109.2° | 109.7° |
| C6 | C2 | H3 | 109.2° | 109.7° |
| C11 | C12 | C7 | 120.1° | 120.1° |
| C12 | C11 | C10 | 120.7° | 120.1° |
| C12 | C11 | H6 | 119.7° | 119.9° |
| C12 | C7 | C6 | 121.8° | 120.0° |
| C12 | C7 | C8 | 119.8° | 120.0° |
| C15 | C6 | C7 | 113.6° | 109.4° |
| C15 | C6 | N5 | 104.8° | 109.4° |
| C6 | C15 | H9 | 109.5° | 109.4° |
| C6 | C15 | H10 | 109.5° | 109.4° |
| C6 | C15 | H11 | 109.4° | 109.4° |
| C1 | O3 | C4 | 119.2° | 117.4° |
| O3 | C1 | H1 | 111.0° | 109.7° |
| C11 | C10 | C9 | 117.7° | 120.0° |
| C11 | C10 | H5 | 121.1° | 120.0° |
| C10 | C11 | H6 | 119.7° | 120.0° |
| C7 | C6 | N5 | 113.5° | 109.4° |
| C6 | C7 | C8 | 118.3° | 120.0° |
| C6 | N5 | C4 | 122.6° | 123.3° |
| C7 | C8 | C9 | 119.5° | 120.0° |
| C7 | C8 | H4 | 120.3° | 120.0° |
| O3 | C4 | N5 | 124.9° | 123.8° |
| O3 | C4 | N14 | 114.9° | 118.1° |
| C10 | C9 | C8 | 122.2° | 119.9° |
| C10 | C9 | N16 | 122.6° | 120.1° |
| C9 | C10 | H5 | 121.1° | 120.0° |
| N5 | C4 | N14 | 120.1° | 118.2° |
| C4 | N14 | H7 | 120.0° | 120.0° |
| C4 | N14 | H8 | 120.0° | 119.9° |
| C8 | C9 | N16 | 115.1° | 120.1° |
| C9 | C8 | H4 | 120.2° | 120.0° |
| C9 | N16 | C17 | 127.9° | 120.0° |
| C9 | N16 | H12 | 116.0° | 120.0° |
| O19 | C17 | N16 | 124.1° | 120.0° |
| O19 | C17 | C18 | 120.1° | 120.0° |
| N16 | C17 | C18 | 115.8° | 120.0° |
| C17 | N16 | H12 | 116.0° | 120.0° |
| C17 | C18 | C24 | 119.1° | 119.6° |
| C17 | C18 | N20 | 118.0° | 119.6° |
| C24 | C18 | N20 | 122.9° | 120.8° |
| C18 | C24 | C23 | 117.3° | 119.2° |
| C18 | C24 | H15 | 121.4° | 120.4° |
| C18 | N20 | C21 | 121.0° | 121.8° |
| C24 | C23 | C22 | 119.1° | 118.3° |
| C24 | C23 | H14 | 120.5° | 120.8° |
| C23 | C24 | H15 | 121.3° | 120.4° |
| N20 | C21 | C22 | 120.9° | 120.7° |
| N20 | C21 | H13 | 119.6° | 119.6° |
| C23 | C22 | C21 | 118.7° | 119.1° |
| C23 | C22 | C25 | 120.8° | 120.4° |
| C22 | C23 | H14 | 120.4° | 120.9° |
| C21 | C22 | C25 | 120.4° | 120.4° |
| C22 | C21 | H13 | 119.6° | 119.7° |
| C22 | C25 | N26 | 178.5° | 180.0° |
| H2 | C2 | H3 | 109.5° | 109.8° |
| H7 | N14 | H8 | 120.0° | 120.0° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H9 | C15 | H11 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F29 | C27 | F30 | F28 | 118.3° | 120.0° |
| F29 | C27 | F30 | C1 | 118.9° | 120.0° |
| F29 | C27 | F28 | C1 | 113.0° | 120.0° |
| F29 | C27 | C1 | C2 | 68.4° | 61.5° |
| F29 | C27 | C1 | O3 | 171.0° | 180.0° |
| F29 | C27 | C1 | H1 | 51.5° | 59.3° |
| F30 | C27 | F28 | C1 | 124.9° | 120.0° |
| F30 | C27 | C1 | C2 | 53.9° | 58.5° |
| F30 | C27 | C1 | O3 | 66.8° | 60.0° |
| F30 | C27 | C1 | H1 | 173.8° | 179.3° |
| F13 | C12 | C11 | C7 | 177.9° | 179.4° |
| F13 | C12 | C11 | C10 | 179.3° | 179.9° |
| F13 | C12 | C7 | C6 | 0.6° | 0.3° |
| F13 | C12 | C7 | C8 | 177.5° | 180.0° |
| F13 | C12 | C11 | H6 | 0.7° | 0.3° |
| F28 | C27 | C1 | C2 | 179.2° | 178.5° |
| F28 | C27 | C1 | O3 | 58.6° | 60.0° |
| F28 | C27 | C1 | H1 | 60.9° | 60.7° |
| C27 | C1 | C2 | O3 | 116.2° | 119.6° |
| C27 | C1 | C2 | H1 | 119.9° | 120.8° |
| C27 | C1 | C2 | C6 | 166.3° | 179.4° |
| C27 | C1 | O3 | H1 | 118.5° | 120.7° |
| C27 | C1 | O3 | C4 | 145.2° | 165.6° |
| C27 | C1 | C2 | H2 | 46.1° | 61.0° |
| C27 | C1 | C2 | H3 | 73.5° | 59.7° |
| C1 | C2 | C6 | H2 | 120.2° | 119.7° |
| C1 | C2 | C6 | H3 | 120.2° | 119.6° |
| C1 | C2 | C6 | C15 | 160.2° | 167.0° |
| C2 | C1 | O3 | H1 | 123.0° | 119.6° |
| C1 | C2 | C6 | C7 | 77.1° | 73.2° |
| C1 | C2 | C6 | N5 | 46.5° | 46.9° |
| C2 | C1 | O3 | C4 | 26.7° | 45.9° |
| C1 | C2 | H2 | H3 | 119.5° | 120.6° |
| C2 | C6 | C7 | C12 | 66.5° | 60.3° |
| C2 | C6 | C15 | C7 | 118.6° | 119.9° |
| C2 | C6 | C15 | N5 | 117.0° | 120.3° |
| C6 | C2 | C1 | O3 | 50.0° | 61.0° |
| C2 | C6 | C7 | N5 | 121.2° | 120.3° |
| C2 | C6 | C7 | C8 | 110.3° | 120.0° |
| C2 | C6 | N5 | C4 | 21.2° | 18.0° |
| C6 | C2 | C1 | H1 | 73.8° | 58.5° |
| C6 | C2 | H2 | H3 | 119.5° | 120.7° |
| C2 | C6 | C15 | H9 | 180.0° | 60.0° |
| C2 | C6 | C15 | H10 | 60.0° | 180.0° |
| C2 | C6 | C15 | H11 | 60.0° | 60.0° |
| C12 | C11 | C10 | H6 | 180.0° | 179.8° |
| C11 | C12 | C7 | C6 | 177.2° | 179.7° |
| C11 | C12 | C7 | C8 | 0.4° | 0.5° |
| C12 | C11 | C10 | C9 | 1.5° | 0.2° |
| C12 | C11 | C10 | H5 | 178.5° | 179.7° |
| C12 | C7 | C6 | C15 | 52.6° | 59.6° |
| C7 | C12 | C11 | C10 | 1.4° | 0.5° |
| C12 | C7 | C6 | C8 | 176.9° | 179.7° |
| C12 | C7 | C6 | N5 | 172.2° | 179.4° |
| C12 | C7 | C8 | C9 | 1.9° | 0.3° |
| C12 | C7 | C8 | H4 | 178.1° | 179.8° |
| C7 | C12 | C11 | H6 | 178.6° | 179.7° |
| C15 | C6 | C7 | N5 | 119.6° | 119.8° |
| C15 | C6 | C7 | C8 | 130.5° | 120.1° |
| C15 | C6 | N5 | C4 | 137.0° | 138.1° |
| C15 | C6 | C2 | H2 | 40.1° | 47.3° |
| C15 | C6 | C2 | H3 | 79.6° | 73.4° |
| C6 | C15 | H9 | H10 | 120.0° | 120.0° |
| C6 | C15 | H9 | H11 | 120.0° | 119.9° |
| C6 | C15 | H10 | H11 | 120.0° | 119.9° |
| C1 | O3 | C4 | N5 | 1.4° | 15.8° |
| C1 | O3 | C4 | N14 | 179.1° | 164.2° |
| O3 | C1 | C2 | H2 | 70.1° | 58.6° |
| O3 | C1 | C2 | H3 | 170.2° | 179.3° |
| C11 | C10 | C9 | H5 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 0.1° | 0.1° |
| C11 | C10 | C9 | N16 | 175.8° | 180.0° |
| C7 | C6 | N5 | C4 | 98.5° | 102.1° |
| C6 | C7 | C8 | C9 | 178.8° | 180.0° |
| C7 | C6 | C2 | H2 | 162.7° | 167.2° |
| C7 | C6 | C2 | H3 | 43.1° | 46.4° |
| C6 | C7 | C8 | H4 | 1.1° | 0.0° |
| C7 | C6 | C15 | H9 | 61.4° | 59.9° |
| C7 | C6 | C15 | H10 | 178.6° | 60.1° |
| C7 | C6 | C15 | H11 | 58.6° | 179.9° |
| N5 | C6 | C7 | C8 | 10.9° | 0.3° |
| C6 | N5 | C4 | O3 | 4.0° | 0.5° |
| C6 | N5 | C4 | N14 | 178.4° | 179.4° |
| N5 | C6 | C2 | H2 | 73.7° | 72.8° |
| N5 | C6 | C2 | H3 | 166.6° | 166.5° |
| N5 | C6 | C15 | H9 | 63.0° | 179.7° |
| N5 | C6 | C15 | H10 | 57.0° | 59.7° |
| N5 | C6 | C15 | H11 | 177.0° | 60.3° |
| C7 | C8 | C9 | C10 | 1.8° | 0.0° |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C7 | C8 | C9 | N16 | 177.8° | 180.0° |
| O3 | C4 | N5 | N14 | 177.6° | 180.0° |
| C4 | O3 | C1 | H1 | 96.3° | 73.7° |
| O3 | C4 | N14 | H7 | 0.0° | 0.1° |
| O3 | C4 | N14 | H8 | 180.0° | 180.0° |
| C10 | C9 | C8 | N16 | 176.1° | 179.9° |
| C10 | C9 | N16 | C17 | 5.4° | 35.2° |
| C10 | C9 | C8 | H4 | 178.2° | 179.9° |
| C9 | C10 | C11 | H6 | 178.5° | 180.0° |
| C10 | C9 | N16 | H12 | 174.5° | 144.9° |
| N5 | C4 | N14 | H7 | 177.8° | 179.9° |
| N5 | C4 | N14 | H8 | 2.2° | 0.0° |
| C4 | N14 | H7 | H8 | 179.9° | 179.9° |
| C8 | C9 | N16 | C17 | 170.6° | 144.9° |
| C8 | C9 | C10 | H5 | 179.9° | 180.0° |
| C8 | C9 | N16 | H12 | 9.4° | 35.0° |
| C9 | N16 | C17 | O19 | 3.9° | 4.7° |
| C9 | N16 | C17 | H12 | 180.0° | 179.9° |
| C9 | N16 | C17 | C18 | 176.6° | 175.4° |
| N16 | C9 | C8 | H4 | 2.1° | 0.0° |
| N16 | C9 | C10 | H5 | 4.1° | 0.1° |
| O19 | C17 | N16 | C18 | 179.6° | 180.0° |
| O19 | C17 | C18 | C24 | 15.9° | 0.0° |
| O19 | C17 | C18 | N20 | 166.8° | 179.7° |
| O19 | C17 | N16 | H12 | 176.1° | 175.4° |
| N16 | C17 | C18 | C24 | 164.5° | 180.0° |
| N16 | C17 | C18 | N20 | 12.8° | 0.3° |
| C17 | C18 | C24 | N20 | 177.2° | 179.8° |
| C17 | C18 | C24 | C23 | 178.3° | 179.7° |
| C17 | C18 | N20 | C21 | 179.7° | 180.0° |
| C18 | C17 | N16 | H12 | 3.5° | 4.6° |
| C17 | C18 | C24 | H15 | 1.7° | 0.0° |
| C18 | C24 | C23 | H15 | 180.0° | 179.8° |
| C24 | C18 | N20 | C21 | 2.4° | 0.3° |
| C18 | C24 | C23 | C22 | 0.5° | 0.5° |
| C18 | C24 | C23 | H14 | 179.5° | 179.7° |
| N20 | C18 | C24 | C23 | 1.1° | 0.5° |
| C18 | N20 | C21 | C22 | 2.0° | 0.0° |
| C18 | N20 | C21 | H13 | 178.0° | 180.0° |
| N20 | C18 | C24 | H15 | 178.9° | 179.7° |
| C24 | C23 | C22 | H14 | 180.0° | 179.8° |
| C24 | C23 | C22 | C21 | 0.9° | 0.2° |
| C24 | C23 | C22 | C25 | 179.3° | 179.8° |
| N20 | C21 | C22 | C23 | 0.4° | 0.0° |
| N20 | C21 | C22 | H13 | 180.0° | 179.9° |
| N20 | C21 | C22 | C25 | 179.5° | 180.0° |
| C23 | C22 | C21 | C25 | 179.8° | 180.0° |
| C23 | C22 | C25 | N26 | 1.9° | 129.2° |
| C23 | C22 | C21 | H13 | 179.7° | 179.9° |
| C22 | C23 | C24 | H15 | 179.5° | 179.8° |
| C21 | C22 | C25 | N26 | 178.3° | 50.8° |
| C21 | C22 | C23 | H14 | 179.1° | 180.0° |
| C25 | C22 | C21 | H13 | 0.5° | 0.1° |
| C25 | C22 | C23 | H14 | 0.7° | 0.0° |
| H1 | C1 | C2 | H2 | 166.1° | 178.2° |
| H1 | C1 | C2 | H3 | 46.4° | 61.1° |
| H5 | C10 | C11 | H6 | 1.5° | 0.1° |
| H9 | C15 | H10 | H11 | 120.0° | 120.1° |
| H14 | C23 | C24 | H15 | 0.5° | 0.1° |
