CLI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | C16 | sing | 1.34Å | 1.25Å | |
| O19 | H19 | sing | 0.97Å | 0.95Å | |
| C16 | O18 | doub | 1.21Å | 1.35Å | |
| C16 | C12 | sing | 1.51Å | 1.55Å | |
| C12 | C6 | sing | 1.53Å | 1.51Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C6 | C2 | sing | 1.51Å | 1.51Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C2 | C1 | sing | 1.41Å | 1.47Å | Aromatic |
| C2 | C5 | doub | 1.36Å | 1.34Å | Aromatic |
| C1 | C3 | doub | 1.41Å | 1.40Å | Aromatic |
| C1 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C11 | sing | 1.47Å | 1.48Å | |
| C5 | N7 | sing | 1.38Å | 1.36Å | Aromatic |
| C11 | O14 | sing | 1.35Å | 1.32Å | |
| C11 | O15 | doub | 1.22Å | 1.23Å | |
| O14 | H14 | sing | 0.97Å | 0.95Å | |
| N7 | C3 | sing | 1.37Å | 1.39Å | Aromatic |
| N7 | HN7 | sing | 0.97Å | 1.02Å | |
| C3 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | HC8 | sing | 1.08Å | 1.10Å | |
| C13 | CL17 | sing | 1.74Å | 1.73Å | |
| C13 | C9 | sing | 1.39Å | 1.42Å | Aromatic |
| C9 | C4 | doub | 1.37Å | 1.39Å | Aromatic |
| C9 | HC9 | sing | 1.08Å | 1.10Å | |
| C4 | CL10 | sing | 1.74Å | 1.73Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | O19 | H19 | 116.4° | 120.0° |
| O19 | C16 | O18 | 116.4° | 119.9° |
| O19 | C16 | C12 | 125.7° | 120.0° |
| O18 | C16 | C12 | 117.9° | 120.0° |
| C16 | C12 | C6 | 119.8° | 109.5° |
| C16 | C12 | H121 | 108.5° | 109.5° |
| C16 | C12 | H122 | 108.5° | 109.4° |
| C6 | C12 | H121 | 108.5° | 109.4° |
| C6 | C12 | H122 | 108.5° | 109.5° |
| C12 | C6 | C2 | 111.5° | 109.5° |
| C12 | C6 | H61 | 111.5° | 109.5° |
| C12 | C6 | H62 | 111.5° | 109.5° |
| H121 | C12 | H122 | 101.5° | 109.5° |
| C2 | C6 | H61 | 111.4° | 109.5° |
| C2 | C6 | H62 | 111.5° | 109.4° |
| C6 | C2 | C1 | 125.5° | 126.1° |
| C6 | C2 | C5 | 129.2° | 126.1° |
| H61 | C6 | H62 | 98.9° | 109.5° |
| C1 | C2 | C5 | 105.3° | 107.7° |
| C2 | C1 | C3 | 107.8° | 107.0° |
| C2 | C1 | C4 | 133.7° | 133.4° |
| C2 | C5 | C11 | 131.8° | 125.4° |
| C2 | C5 | N7 | 111.2° | 109.1° |
| C3 | C1 | C4 | 118.4° | 119.7° |
| C1 | C3 | N7 | 106.1° | 107.4° |
| C1 | C3 | C8 | 123.0° | 119.4° |
| C1 | C4 | C9 | 120.8° | 119.8° |
| C1 | C4 | CL10 | 118.0° | 120.1° |
| C11 | C5 | N7 | 117.0° | 125.4° |
| C5 | C11 | O14 | 124.4° | 120.0° |
| C5 | C11 | O15 | 116.8° | 120.0° |
| C5 | N7 | C3 | 109.6° | 108.7° |
| C5 | N7 | HN7 | 124.5° | 125.6° |
| O14 | C11 | O15 | 118.6° | 120.1° |
| C11 | O14 | H14 | 124.4° | 120.0° |
| C3 | N7 | HN7 | 125.9° | 125.7° |
| N7 | C3 | C8 | 130.9° | 133.1° |
| C3 | C8 | C13 | 116.9° | 119.9° |
| C3 | C8 | HC8 | 122.2° | 120.1° |
| C13 | C8 | HC8 | 120.9° | 120.1° |
| C8 | C13 | CL17 | 119.5° | 119.7° |
| C8 | C13 | C9 | 121.8° | 120.6° |
| CL17 | C13 | C9 | 118.5° | 119.7° |
| C13 | C9 | C4 | 119.0° | 120.6° |
| C13 | C9 | HC9 | 121.2° | 119.7° |
| C4 | C9 | HC9 | 119.8° | 119.7° |
| C9 | C4 | CL10 | 121.2° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | C16 | O18 | C12 | 178.3° | 179.9° |
| O19 | C16 | C12 | C6 | 43.8° | 180.0° |
| O19 | C16 | C12 | H121 | 169.1° | 60.0° |
| O19 | C16 | C12 | H122 | 81.4° | 60.1° |
| H19 | O19 | C16 | O18 | 180.0° | 0.0° |
| H19 | O19 | C16 | C12 | 1.9° | 180.0° |
| O18 | C16 | C12 | C6 | 138.0° | 0.1° |
| O18 | C16 | C12 | H121 | 12.7° | 119.9° |
| O18 | C16 | C12 | H122 | 96.7° | 120.0° |
| C16 | C12 | C6 | H121 | 125.3° | 120.0° |
| C16 | C12 | C6 | H122 | 125.3° | 119.9° |
| C16 | C12 | H121 | H122 | 114.2° | 120.0° |
| C16 | C12 | C6 | C2 | 167.1° | 180.0° |
| C16 | C12 | C6 | H61 | 67.7° | 60.0° |
| C16 | C12 | C6 | H62 | 41.8° | 60.0° |
| C6 | C12 | H121 | H122 | 114.1° | 120.0° |
| C12 | C6 | C2 | H61 | 125.3° | 120.0° |
| C12 | C6 | C2 | H62 | 125.3° | 120.0° |
| C12 | C6 | H61 | H62 | 117.4° | 120.0° |
| C12 | C6 | C2 | C1 | 171.9° | 90.3° |
| C12 | C6 | C2 | C5 | 7.5° | 90.0° |
| H121 | C12 | C6 | C2 | 41.8° | 60.0° |
| H121 | C12 | C6 | H61 | 167.0° | 180.0° |
| H121 | C12 | C6 | H62 | 83.5° | 60.0° |
| H122 | C12 | C6 | C2 | 67.6° | 60.1° |
| H122 | C12 | C6 | H61 | 57.6° | 60.0° |
| H122 | C12 | C6 | H62 | 167.1° | 180.0° |
| C2 | C6 | H61 | H62 | 117.3° | 120.0° |
| C6 | C2 | C1 | C5 | 179.5° | 179.7° |
| C6 | C2 | C1 | C3 | 179.5° | 179.9° |
| C6 | C2 | C1 | C4 | 3.8° | 0.7° |
| C6 | C2 | C5 | C11 | 0.5° | 0.0° |
| C6 | C2 | C5 | N7 | 179.6° | 180.0° |
| H61 | C6 | C2 | C1 | 46.6° | 149.7° |
| H61 | C6 | C2 | C5 | 132.8° | 30.0° |
| H62 | C6 | C2 | C1 | 62.8° | 29.7° |
| H62 | C6 | C2 | C5 | 117.7° | 149.9° |
| C2 | C1 | C3 | C4 | 176.5° | 179.3° |
| C1 | C2 | C5 | C11 | 179.0° | 179.8° |
| C1 | C2 | C5 | N7 | 0.9° | 0.2° |
| C2 | C1 | C3 | N7 | 0.6° | 0.4° |
| C2 | C1 | C3 | C8 | 176.7° | 179.8° |
| C2 | C1 | C4 | C9 | 177.6° | 179.6° |
| C2 | C1 | C4 | CL10 | 4.3° | 0.7° |
| C5 | C2 | C1 | C3 | 0.9° | 0.4° |
| C5 | C2 | C1 | C4 | 176.6° | 179.5° |
| C2 | C5 | C11 | N7 | 179.8° | 180.0° |
| C2 | C5 | C11 | O14 | 2.9° | 180.0° |
| C2 | C5 | C11 | O15 | 178.0° | 0.0° |
| C2 | C5 | N7 | C3 | 0.5° | 0.0° |
| C2 | C5 | N7 | HN7 | 179.5° | 180.0° |
| C1 | C3 | N7 | C5 | 0.1° | 0.2° |
| C1 | C3 | N7 | C8 | 177.1° | 179.8° |
| C1 | C3 | N7 | HN7 | 179.8° | 179.7° |
| C1 | C3 | C8 | C13 | 2.7° | 0.3° |
| C1 | C3 | C8 | HC8 | 177.3° | 179.8° |
| C3 | C1 | C4 | C9 | 2.3° | 0.5° |
| C3 | C1 | C4 | CL10 | 179.7° | 179.8° |
| C4 | C1 | C3 | N7 | 177.1° | 179.7° |
| C4 | C1 | C3 | C8 | 0.3° | 0.5° |
| C1 | C4 | C9 | C13 | 1.3° | 0.2° |
| C1 | C4 | C9 | CL10 | 178.0° | 179.7° |
| C1 | C4 | C9 | HC9 | 178.6° | 179.7° |
| C5 | C11 | O14 | O15 | 175.1° | 180.0° |
| C5 | C11 | O14 | H14 | 180.0° | 180.0° |
| C11 | C5 | N7 | C3 | 179.4° | 180.0° |
| C11 | C5 | N7 | HN7 | 0.6° | 0.0° |
| N7 | C5 | C11 | O14 | 177.3° | 0.0° |
| N7 | C5 | C11 | O15 | 2.1° | 180.0° |
| C5 | N7 | C3 | HN7 | 180.0° | 180.0° |
| C5 | N7 | C3 | C8 | 176.9° | 180.0° |
| O15 | C11 | O14 | H14 | 5.0° | 0.0° |
| N7 | C3 | C8 | C13 | 179.3° | 180.0° |
| N7 | C3 | C8 | HC8 | 0.7° | 0.0° |
| HN7 | N7 | C3 | C8 | 3.1° | 0.0° |
| C3 | C8 | C13 | HC8 | 180.0° | 179.9° |
| C3 | C8 | C13 | CL17 | 179.6° | 180.0° |
| C3 | C8 | C13 | C9 | 3.7° | 0.0° |
| C8 | C13 | CL17 | C9 | 176.0° | 180.0° |
| C8 | C13 | C9 | C4 | 1.8° | 0.0° |
| C8 | C13 | C9 | HC9 | 178.3° | 180.0° |
| HC8 | C8 | C13 | CL17 | 0.4° | 0.1° |
| HC8 | C8 | C13 | C9 | 176.4° | 179.9° |
| CL17 | C13 | C9 | C4 | 177.7° | 180.0° |
| CL17 | C13 | C9 | HC9 | 2.3° | 0.0° |
| C13 | C9 | C4 | HC9 | 180.0° | 180.0° |
| C13 | C9 | C4 | CL10 | 179.3° | 180.0° |
| HC9 | C9 | C4 | CL10 | 0.7° | 0.0° |
