5HL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.37Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.46Å | 1.43Å | |
| C6 | C14 | doub | 1.41Å | 1.41Å | Aromatic |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | doub | 1.36Å | 1.34Å | |
| C14 | N1 | sing | 1.38Å | 1.39Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | C13 | sing | 1.41Å | 1.45Å | |
| N1 | C13 | sing | 1.34Å | 1.36Å | |
| C9 | N | sing | 1.47Å | 1.46Å | |
| C13 | O | doub | 1.22Å | 1.23Å | |
| N | C10 | sing | 1.47Å | 1.47Å | |
| C11 | C10 | sing | 1.53Å | 1.48Å | |
| C11 | C12 | sing | 1.53Å | 1.48Å | |
| C10 | C12 | sing | 1.53Å | 1.48Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 120.4° | 120.6° |
| C4 | C5 | C6 | 120.3° | 119.7° |
| C5 | C4 | H1 | 119.8° | 119.7° |
| C4 | C5 | H2 | 119.9° | 120.2° |
| C4 | C3 | C2 | 121.1° | 120.6° |
| C3 | C4 | H1 | 119.8° | 119.7° |
| C4 | C3 | H19 | 119.4° | 119.6° |
| C5 | C6 | C7 | 122.8° | 121.2° |
| C5 | C6 | C14 | 118.8° | 119.8° |
| C6 | C5 | H2 | 119.8° | 120.1° |
| C3 | C2 | C14 | 118.4° | 119.8° |
| C3 | C2 | C1 | 120.6° | 120.1° |
| C2 | C3 | H19 | 119.4° | 119.7° |
| C7 | C6 | C14 | 118.4° | 119.0° |
| C6 | C7 | C8 | 119.3° | 118.5° |
| C6 | C7 | H4 | 120.4° | 120.7° |
| C6 | C14 | C2 | 121.0° | 119.4° |
| C6 | C14 | N1 | 118.9° | 119.6° |
| C | C1 | C2 | 115.4° | 109.5° |
| C | C1 | H14 | 108.0° | 109.5° |
| C | C1 | H15 | 108.0° | 109.5° |
| C1 | C | H16 | 109.5° | 109.5° |
| C1 | C | H17 | 109.5° | 109.5° |
| C1 | C | H18 | 109.4° | 109.5° |
| C14 | C2 | C1 | 121.0° | 120.1° |
| C2 | C14 | N1 | 120.1° | 121.0° |
| C2 | C1 | H14 | 108.0° | 109.4° |
| C2 | C1 | H15 | 108.0° | 109.5° |
| C7 | C8 | C9 | 123.7° | 119.9° |
| C7 | C8 | C13 | 123.8° | 120.2° |
| C8 | C7 | H4 | 120.4° | 120.8° |
| C14 | N1 | C13 | 124.8° | 121.0° |
| C14 | N1 | H3 | 117.6° | 119.5° |
| C9 | C8 | C13 | 112.5° | 119.9° |
| C8 | C9 | N | 112.1° | 109.5° |
| C8 | C9 | H5 | 108.8° | 109.4° |
| C8 | C9 | H6 | 108.8° | 109.5° |
| C8 | C13 | N1 | 114.8° | 121.7° |
| C8 | C13 | O | 124.7° | 119.2° |
| N1 | C13 | O | 120.6° | 119.2° |
| C13 | N1 | H3 | 117.6° | 119.5° |
| C9 | N | C10 | 115.3° | 111.0° |
| N | C9 | H5 | 108.8° | 109.5° |
| N | C9 | H6 | 108.8° | 109.5° |
| C9 | N | H12 | 108.0° | 111.0° |
| N | C10 | C11 | 118.5° | 117.5° |
| N | C10 | C12 | 118.4° | 117.5° |
| N | C10 | H7 | 116.1° | 115.5° |
| C10 | N | H12 | 108.0° | 111.0° |
| C10 | C11 | C12 | 59.9° | 60.0° |
| C11 | C10 | C12 | 60.2° | 60.0° |
| C11 | C10 | H7 | 116.0° | 117.5° |
| C10 | C11 | H8 | 120.0° | 117.5° |
| C10 | C11 | H9 | 120.0° | 117.5° |
| C11 | C12 | C10 | 59.9° | 60.0° |
| C12 | C11 | H8 | 120.0° | 117.5° |
| C12 | C11 | H9 | 120.0° | 117.6° |
| C11 | C12 | H10 | 120.0° | 117.5° |
| C11 | C12 | H11 | 120.0° | 117.6° |
| C12 | C10 | H7 | 116.0° | 117.5° |
| C10 | C12 | H10 | 120.0° | 117.5° |
| C10 | C12 | H11 | 120.0° | 117.5° |
| H5 | C9 | H6 | 109.4° | 109.5° |
| H8 | C11 | H9 | 109.4° | 115.6° |
| H10 | C12 | H11 | 109.5° | 115.6° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H16 | C | H17 | 109.5° | 109.4° |
| H16 | C | H18 | 109.5° | 109.5° |
| H17 | C | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.1° |
| C4 | C5 | C6 | C7 | 177.9° | 180.0° |
| C4 | C5 | C6 | C14 | 0.0° | 0.0° |
| C5 | C4 | C3 | H19 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C3 | C2 | H19 | 180.0° | 179.9° |
| C4 | C3 | C2 | C14 | 0.3° | 0.0° |
| C4 | C3 | C2 | C1 | 178.1° | 179.9° |
| C3 | C4 | C5 | H2 | 179.9° | 179.9° |
| C5 | C6 | C7 | C14 | 178.0° | 180.0° |
| C5 | C6 | C14 | C2 | 0.3° | 0.0° |
| C5 | C6 | C7 | C8 | 176.7° | 180.0° |
| C5 | C6 | C14 | N1 | 178.3° | 179.9° |
| C6 | C5 | C4 | H1 | 179.9° | 179.7° |
| C5 | C6 | C7 | H4 | 3.3° | 0.0° |
| C3 | C2 | C14 | C6 | 0.4° | 0.0° |
| C3 | C2 | C1 | C | 4.0° | 95.0° |
| C3 | C2 | C14 | C1 | 178.3° | 180.0° |
| C3 | C2 | C14 | N1 | 178.4° | 179.9° |
| C2 | C3 | C4 | H1 | 180.0° | 179.7° |
| C3 | C2 | C1 | H14 | 116.9° | 25.0° |
| C3 | C2 | C1 | H15 | 124.8° | 144.9° |
| C7 | C6 | C14 | C2 | 177.8° | 180.0° |
| C6 | C7 | C8 | H4 | 180.0° | 179.9° |
| C7 | C6 | C14 | N1 | 0.3° | 0.0° |
| C6 | C7 | C8 | C9 | 175.3° | 180.0° |
| C6 | C7 | C8 | C13 | 1.8° | 0.0° |
| C7 | C6 | C5 | H2 | 2.1° | 0.0° |
| C6 | C14 | C2 | N1 | 178.0° | 179.9° |
| C6 | C14 | C2 | C1 | 177.9° | 180.0° |
| C14 | C6 | C7 | C8 | 1.3° | 0.0° |
| C6 | C14 | N1 | C13 | 1.5° | 0.0° |
| C14 | C6 | C5 | H2 | 179.9° | 180.0° |
| C6 | C14 | N1 | H3 | 178.5° | 180.0° |
| C14 | C6 | C7 | H4 | 178.7° | 180.0° |
| C | C1 | C2 | C14 | 174.3° | 85.0° |
| C | C1 | C2 | H14 | 120.9° | 119.9° |
| C | C1 | C2 | H15 | 120.9° | 120.1° |
| C | C1 | H14 | H15 | 117.3° | 120.1° |
| C1 | C | H16 | H17 | 120.0° | 120.0° |
| C1 | C | H16 | H18 | 120.0° | 120.1° |
| C1 | C | H17 | H18 | 120.0° | 120.1° |
| C2 | C14 | N1 | C13 | 176.6° | 180.0° |
| C2 | C14 | N1 | H3 | 3.4° | 0.1° |
| C14 | C2 | C1 | H14 | 64.8° | 155.1° |
| C14 | C2 | C1 | H15 | 53.5° | 35.1° |
| C14 | C2 | C3 | H19 | 179.8° | 179.9° |
| C1 | C2 | C14 | N1 | 0.1° | 0.1° |
| C2 | C1 | H14 | H15 | 117.3° | 120.0° |
| C2 | C1 | C | H16 | 180.0° | 180.0° |
| C2 | C1 | C | H17 | 60.0° | 60.1° |
| C2 | C1 | C | H18 | 60.0° | 60.0° |
| C1 | C2 | C3 | H19 | 1.9° | 0.0° |
| C7 | C8 | C9 | C13 | 177.3° | 180.0° |
| C7 | C8 | C13 | N1 | 0.6° | 0.0° |
| C7 | C8 | C9 | N | 74.7° | 95.0° |
| C7 | C8 | C13 | O | 179.8° | 180.0° |
| C7 | C8 | C9 | H5 | 164.8° | 145.0° |
| C7 | C8 | C9 | H6 | 45.7° | 25.0° |
| C14 | N1 | C13 | C8 | 1.0° | 0.0° |
| C14 | N1 | C13 | H3 | 180.0° | 180.0° |
| C14 | N1 | C13 | O | 178.1° | 179.9° |
| C9 | C8 | C13 | N1 | 176.7° | 180.0° |
| C8 | C9 | N | H5 | 120.4° | 119.9° |
| C8 | C9 | N | H6 | 120.4° | 120.0° |
| C9 | C8 | C13 | O | 2.4° | 0.0° |
| C8 | C9 | N | C10 | 135.3° | 180.0° |
| C9 | C8 | C7 | H4 | 4.7° | 0.1° |
| C8 | C9 | H5 | H6 | 118.8° | 120.0° |
| C8 | C9 | N | H12 | 103.8° | 56.1° |
| C8 | C13 | N1 | O | 179.2° | 179.9° |
| C13 | C8 | C9 | N | 107.9° | 85.0° |
| C8 | C13 | N1 | H3 | 179.0° | 180.0° |
| C13 | C8 | C7 | H4 | 178.2° | 179.9° |
| C13 | C8 | C9 | H5 | 12.5° | 35.0° |
| C13 | C8 | C9 | H6 | 131.7° | 155.0° |
| C9 | N | C10 | H12 | 120.8° | 123.9° |
| C9 | N | C10 | C11 | 71.4° | 136.4° |
| C9 | N | C10 | C12 | 140.9° | 155.0° |
| N | C9 | H5 | H6 | 118.8° | 120.1° |
| C9 | N | C10 | H7 | 73.9° | 9.3° |
| O | C13 | N1 | H3 | 1.9° | 0.0° |
| N | C10 | C11 | C12 | 108.2° | 107.5° |
| N | C10 | C11 | H7 | 145.3° | 145.0° |
| N | C10 | C12 | H7 | 145.2° | 145.0° |
| C10 | N | C9 | H5 | 14.9° | 60.0° |
| C10 | N | C9 | H6 | 104.3° | 60.0° |
| N | C10 | C11 | H8 | 142.3° | 145.0° |
| N | C10 | C11 | H9 | 1.2° | 0.1° |
| N | C10 | C12 | H10 | 142.1° | 0.0° |
| N | C10 | C12 | H11 | 1.0° | 145.0° |
| C10 | C11 | C12 | H8 | 109.4° | 107.5° |
| C10 | C11 | C12 | H9 | 109.4° | 107.5° |
| C11 | C10 | C12 | H7 | 106.4° | 107.5° |
| C10 | C11 | H8 | H9 | 144.8° | 145.7° |
| C10 | C11 | C12 | H10 | 109.4° | 107.5° |
| C10 | C11 | C12 | H11 | 109.4° | 107.5° |
| C11 | C10 | N | H12 | 49.5° | 12.4° |
| C12 | C11 | H8 | H9 | 144.8° | 145.8° |
| C11 | C12 | H10 | H11 | 144.8° | 145.7° |
| C10 | C12 | H10 | H11 | 144.8° | 145.7° |
| C12 | C10 | N | H12 | 20.1° | 81.0° |
| H1 | C4 | C5 | H2 | 0.1° | 0.3° |
| H1 | C4 | C3 | H19 | 0.0° | 0.2° |
| H5 | C9 | N | H12 | 135.8° | 176.0° |
| H6 | C9 | N | H12 | 16.6° | 64.0° |
| H7 | C10 | C11 | H8 | 3.0° | 0.0° |
| H7 | C10 | C11 | H9 | 144.1° | 144.9° |
| H7 | C10 | C12 | H10 | 3.0° | 145.1° |
| H7 | C10 | C12 | H11 | 144.1° | 0.1° |
| H7 | C10 | N | H12 | 165.2° | 133.2° |
| H8 | C11 | C12 | H10 | 0.0° | 145.1° |
| H8 | C11 | C12 | H11 | 141.1° | 0.0° |
| H9 | C11 | C12 | H10 | 141.1° | 0.0° |
| H9 | C11 | C12 | H11 | 0.0° | 145.0° |
| H14 | C1 | C | H16 | 59.2° | 60.1° |
| H14 | C1 | C | H17 | 60.9° | 180.0° |
| H14 | C1 | C | H18 | 179.2° | 59.9° |
| H15 | C1 | C | H16 | 59.1° | 59.9° |
| H15 | C1 | C | H17 | 179.1° | 60.0° |
| H15 | C1 | C | H18 | 60.9° | 180.0° |
| H16 | C | H17 | H18 | 120.0° | 120.0° |
