20H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C02 | sing | 1.74Å | 1.71Å | |
| C22 | CL2 | sing | 1.74Å | 1.69Å | |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| H03 | C03 | sing | 1.08Å | 1.08Å | |
| C03 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| H04 | C04 | sing | 1.08Å | 1.08Å | |
| C04 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| C05 | O06 | sing | 1.36Å | 1.37Å | |
| C05 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C07 | O06 | sing | 1.43Å | 1.41Å | |
| H07 | C07 | sing | 1.09Å | 1.10Å | |
| C07 | H07A | sing | 1.09Å | 1.10Å | |
| C07 | C08 | sing | 1.51Å | 1.54Å | |
| N09 | C08 | sing | 1.35Å | 1.41Å | |
| C08 | O21 | doub | 1.21Å | 1.23Å | |
| C10 | N09 | sing | 1.47Å | 1.49Å | |
| N09 | C20 | sing | 1.47Å | 1.46Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| H10 | C10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| H11A | C11 | sing | 1.09Å | 1.10Å | |
| H11 | C11 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.51Å | 1.46Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | C19 | sing | 1.53Å | 1.53Å | |
| O18 | C13 | doub | 1.21Å | 1.23Å | |
| N14 | C13 | sing | 1.35Å | 1.38Å | |
| C15 | N14 | sing | 1.46Å | 1.47Å | |
| N14 | HN14 | sing | 0.97Å | 1.00Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| H15 | C15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| S17 | C16 | sing | 1.81Å | 1.82Å | |
| H16A | C16 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| S17 | HS17 | sing | 1.34Å | 1.30Å | |
| H19A | C19 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C24 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C02 | C03 | 119.5° | 120.0° |
| CL1 | C02 | C24 | 119.1° | 119.9° |
| CL2 | C22 | C05 | 119.6° | 120.0° |
| CL2 | C22 | C24 | 117.1° | 120.0° |
| C03 | C02 | C24 | 121.5° | 120.1° |
| C02 | C03 | H03 | 120.4° | 119.9° |
| C02 | C03 | C04 | 119.3° | 120.1° |
| C02 | C24 | C22 | 118.0° | 120.0° |
| C02 | C24 | H24 | 121.0° | 120.0° |
| H03 | C03 | C04 | 120.3° | 120.0° |
| C03 | C04 | H04 | 119.7° | 120.0° |
| C03 | C04 | C05 | 120.6° | 120.0° |
| H04 | C04 | C05 | 119.7° | 120.0° |
| C04 | C05 | O06 | 121.1° | 120.1° |
| C04 | C05 | C22 | 117.4° | 119.9° |
| O06 | C05 | C22 | 121.5° | 120.0° |
| C05 | O06 | C07 | 121.0° | 117.0° |
| C05 | C22 | C24 | 123.3° | 119.9° |
| O06 | C07 | H07 | 109.6° | 109.5° |
| O06 | C07 | H07A | 109.5° | 109.5° |
| O06 | C07 | C08 | 109.3° | 109.5° |
| H07 | C07 | H07A | 109.5° | 109.5° |
| H07 | C07 | C08 | 109.5° | 109.5° |
| H07A | C07 | C08 | 109.5° | 109.4° |
| C07 | C08 | N09 | 119.3° | 120.0° |
| C07 | C08 | O21 | 121.0° | 120.0° |
| N09 | C08 | O21 | 119.6° | 120.0° |
| C08 | N09 | C10 | 123.1° | 120.6° |
| C08 | N09 | C20 | 126.1° | 120.6° |
| C10 | N09 | C20 | 110.7° | 118.8° |
| N09 | C10 | C11 | 110.4° | 108.8° |
| N09 | C10 | H10 | 109.3° | 109.6° |
| N09 | C10 | H10A | 109.2° | 109.6° |
| N09 | C20 | C19 | 109.8° | 109.0° |
| N09 | C20 | H20 | 109.4° | 109.6° |
| N09 | C20 | H20A | 109.4° | 109.6° |
| C11 | C10 | H10 | 109.2° | 109.7° |
| C11 | C10 | H10A | 109.3° | 109.6° |
| C10 | C11 | H11A | 108.1° | 109.4° |
| C10 | C11 | H11 | 108.1° | 109.5° |
| C10 | C11 | C12 | 114.7° | 109.3° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H11A | C11 | H11 | 109.5° | 109.6° |
| H11A | C11 | C12 | 108.1° | 109.5° |
| H11 | C11 | C12 | 108.2° | 109.6° |
| C11 | C12 | C13 | 110.5° | 109.4° |
| C11 | C12 | H12 | 107.9° | 109.4° |
| C11 | C12 | C19 | 108.4° | 109.6° |
| C13 | C12 | H12 | 108.9° | 109.4° |
| C13 | C12 | C19 | 113.0° | 109.5° |
| C12 | C13 | O18 | 121.9° | 120.0° |
| C12 | C13 | N14 | 118.8° | 120.0° |
| H12 | C12 | C19 | 108.0° | 109.5° |
| C12 | C19 | H19A | 108.3° | 109.5° |
| C12 | C19 | H19 | 108.3° | 109.5° |
| C12 | C19 | C20 | 114.0° | 109.4° |
| O18 | C13 | N14 | 119.3° | 120.0° |
| C13 | N14 | C15 | 120.7° | 120.0° |
| C13 | N14 | HN14 | 119.7° | 120.0° |
| C15 | N14 | HN14 | 119.7° | 120.0° |
| N14 | C15 | C16 | 112.4° | 109.4° |
| N14 | C15 | H15 | 108.8° | 109.5° |
| N14 | C15 | H15A | 108.7° | 109.4° |
| C16 | C15 | H15 | 108.7° | 109.5° |
| C16 | C15 | H15A | 108.8° | 109.5° |
| C15 | C16 | S17 | 107.6° | 109.5° |
| C15 | C16 | H16A | 109.9° | 109.5° |
| C15 | C16 | H16 | 110.0° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| S17 | C16 | H16A | 109.9° | 109.4° |
| S17 | C16 | H16 | 109.9° | 109.4° |
| C16 | S17 | HS17 | 102.0° | 103.0° |
| H16A | C16 | H16 | 109.4° | 109.5° |
| H19A | C19 | H19 | 109.5° | 109.5° |
| H19A | C19 | C20 | 108.3° | 109.4° |
| H19 | C19 | C20 | 108.3° | 109.6° |
| C19 | C20 | H20 | 109.4° | 109.5° |
| C19 | C20 | H20A | 109.4° | 109.4° |
| H20 | C20 | H20A | 109.5° | 109.7° |
| C22 | C24 | H24 | 121.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C02 | C03 | C24 | 178.9° | 179.7° |
| CL1 | C02 | C03 | H03 | 0.2° | 0.0° |
| CL1 | C02 | C03 | C04 | 179.8° | 180.0° |
| CL1 | C02 | C24 | C22 | 179.6° | 179.7° |
| CL1 | C02 | C24 | H24 | 0.4° | 0.0° |
| CL2 | C22 | C24 | C02 | 178.6° | 179.7° |
| CL2 | C22 | C05 | C04 | 179.6° | 180.0° |
| CL2 | C22 | C05 | O06 | 0.6° | 0.0° |
| CL2 | C22 | C05 | C24 | 179.8° | 179.8° |
| CL2 | C22 | C24 | H24 | 1.4° | 0.0° |
| C02 | C03 | H03 | C04 | 180.0° | 179.9° |
| C02 | C03 | C04 | H04 | 179.9° | 179.9° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C03 | C02 | C24 | C22 | 1.5° | 0.6° |
| C03 | C02 | C24 | H24 | 178.5° | 179.7° |
| C24 | C02 | C03 | H03 | 179.1° | 179.7° |
| C24 | C02 | C03 | C04 | 0.9° | 0.3° |
| C02 | C24 | C22 | C05 | 1.2° | 0.5° |
| C02 | C24 | C22 | H24 | 180.0° | 179.7° |
| H03 | C03 | C04 | H04 | 0.1° | 0.0° |
| H03 | C03 | C04 | C05 | 179.9° | 180.0° |
| C03 | C04 | H04 | C05 | 180.0° | 180.0° |
| C03 | C04 | C05 | O06 | 179.8° | 180.0° |
| C03 | C04 | C05 | C22 | 0.4° | 0.0° |
| H04 | C04 | C05 | O06 | 0.2° | 0.1° |
| H04 | C04 | C05 | C22 | 179.6° | 180.0° |
| C04 | C05 | O06 | C22 | 179.8° | 179.9° |
| C04 | C05 | O06 | C07 | 13.1° | 0.0° |
| C04 | C05 | C22 | C24 | 0.2° | 0.2° |
| C05 | O06 | C07 | H07 | 153.3° | 60.0° |
| C05 | O06 | C07 | H07A | 33.2° | 60.0° |
| C05 | O06 | C07 | C08 | 86.8° | 180.0° |
| O06 | C05 | C22 | C24 | 179.6° | 179.7° |
| C22 | C05 | O06 | C07 | 167.1° | 180.0° |
| C05 | C22 | C24 | H24 | 178.8° | 179.8° |
| O06 | C07 | H07 | H07A | 120.1° | 120.0° |
| O06 | C07 | H07 | C08 | 119.8° | 120.0° |
| O06 | C07 | H07A | C08 | 119.8° | 120.0° |
| O06 | C07 | C08 | N09 | 173.6° | 180.0° |
| O06 | C07 | C08 | O21 | 5.7° | 0.1° |
| H07 | C07 | H07A | C08 | 120.1° | 120.0° |
| H07 | C07 | C08 | N09 | 53.6° | 59.9° |
| H07 | C07 | C08 | O21 | 125.7° | 120.0° |
| H07A | C07 | C08 | N09 | 66.4° | 60.1° |
| H07A | C07 | C08 | O21 | 114.3° | 120.0° |
| C07 | C08 | N09 | O21 | 179.3° | 179.9° |
| C07 | C08 | N09 | C10 | 0.5° | 0.3° |
| C07 | C08 | N09 | C20 | 178.9° | 180.0° |
| C08 | N09 | C10 | C20 | 178.7° | 179.7° |
| C08 | N09 | C10 | C11 | 118.9° | 126.4° |
| C08 | N09 | C10 | H10 | 121.0° | 113.7° |
| C08 | N09 | C10 | H10A | 1.3° | 6.6° |
| C08 | N09 | C20 | C19 | 116.5° | 126.4° |
| C08 | N09 | C20 | H20 | 3.5° | 6.6° |
| C08 | N09 | C20 | H20A | 123.4° | 113.9° |
| O21 | C08 | N09 | C10 | 179.8° | 179.7° |
| O21 | C08 | N09 | C20 | 1.8° | 0.0° |
| N09 | C10 | C11 | H10 | 120.1° | 119.9° |
| N09 | C10 | C11 | H10A | 120.1° | 119.8° |
| N09 | C10 | H10 | H10A | 119.6° | 120.3° |
| N09 | C10 | C11 | H11A | 173.6° | 65.3° |
| N09 | C10 | C11 | H11 | 67.9° | 174.6° |
| N09 | C10 | C11 | C12 | 52.9° | 54.6° |
| C10 | N09 | C20 | C19 | 62.1° | 53.3° |
| C10 | N09 | C20 | H20 | 177.9° | 173.1° |
| C10 | N09 | C20 | H20A | 57.9° | 66.4° |
| C20 | N09 | C10 | C11 | 59.8° | 53.3° |
| C20 | N09 | C10 | H10 | 60.3° | 66.6° |
| C20 | N09 | C10 | H10A | 180.0° | 173.1° |
| N09 | C20 | C19 | C12 | 58.0° | 54.4° |
| N09 | C20 | C19 | H19A | 178.6° | 65.5° |
| N09 | C20 | C19 | H19 | 62.7° | 174.4° |
| N09 | C20 | C19 | H20 | 120.0° | 119.9° |
| N09 | C20 | C19 | H20A | 120.1° | 119.8° |
| N09 | C20 | H20 | H20A | 119.9° | 120.3° |
| C11 | C10 | H10 | H10A | 119.6° | 120.3° |
| C10 | C11 | H11A | H11 | 117.6° | 120.0° |
| C10 | C11 | H11A | C12 | 124.8° | 119.8° |
| C10 | C11 | H11 | C12 | 124.8° | 119.8° |
| C10 | C11 | C12 | C13 | 170.9° | 178.6° |
| C10 | C11 | C12 | H12 | 70.1° | 58.8° |
| C10 | C11 | C12 | C19 | 46.6° | 61.4° |
| H10 | C10 | C11 | H11A | 53.5° | 174.8° |
| H10 | C10 | C11 | H11 | 171.9° | 54.7° |
| H10 | C10 | C11 | C12 | 67.3° | 65.3° |
| H10A | C10 | C11 | H11A | 66.2° | 54.5° |
| H10A | C10 | C11 | H11 | 52.2° | 65.6° |
| H10A | C10 | C11 | C12 | 173.0° | 174.4° |
| H11A | C11 | H11 | C12 | 117.6° | 120.2° |
| H11A | C11 | C12 | C13 | 68.3° | 61.5° |
| H11A | C11 | C12 | H12 | 50.6° | 178.6° |
| H11A | C11 | C12 | C19 | 167.3° | 58.5° |
| H11 | C11 | C12 | C13 | 50.1° | 58.7° |
| H11 | C11 | C12 | H12 | 169.1° | 61.2° |
| H11 | C11 | C12 | C19 | 74.2° | 178.7° |
| C11 | C12 | C13 | H12 | 118.3° | 119.9° |
| C11 | C12 | C13 | C19 | 121.7° | 120.1° |
| C11 | C12 | H12 | C19 | 117.0° | 120.2° |
| C11 | C12 | C13 | O18 | 50.5° | 0.1° |
| C11 | C12 | C13 | N14 | 128.6° | 180.0° |
| C11 | C12 | C19 | H19A | 169.4° | 58.6° |
| C11 | C12 | C19 | H19 | 71.9° | 178.7° |
| C11 | C12 | C19 | C20 | 48.7° | 61.3° |
| C13 | C12 | H12 | C19 | 123.1° | 120.0° |
| C12 | C13 | O18 | N14 | 179.1° | 179.9° |
| C12 | C13 | N14 | C15 | 179.9° | 180.0° |
| C12 | C13 | N14 | HN14 | 0.1° | 0.1° |
| C13 | C12 | C19 | H19A | 67.8° | 61.4° |
| C13 | C12 | C19 | H19 | 50.9° | 58.7° |
| C13 | C12 | C19 | C20 | 171.6° | 178.7° |
| H12 | C12 | C13 | O18 | 168.8° | 120.0° |
| H12 | C12 | C13 | N14 | 10.3° | 60.1° |
| H12 | C12 | C19 | H19A | 52.7° | 178.7° |
| H12 | C12 | C19 | H19 | 171.4° | 61.3° |
| H12 | C12 | C19 | C20 | 67.9° | 58.8° |
| C19 | C12 | C13 | O18 | 71.2° | 120.0° |
| C19 | C12 | C13 | N14 | 109.7° | 59.9° |
| C12 | C19 | H19A | H19 | 117.9° | 120.1° |
| C12 | C19 | H19A | C20 | 124.1° | 119.9° |
| C12 | C19 | H19 | C20 | 124.2° | 120.0° |
| C12 | C19 | C20 | H20 | 178.0° | 174.3° |
| C12 | C19 | C20 | H20A | 62.1° | 65.4° |
| O18 | C13 | N14 | C15 | 0.8° | 0.1° |
| O18 | C13 | N14 | HN14 | 179.2° | 180.0° |
| C13 | N14 | C15 | HN14 | 180.0° | 179.9° |
| C13 | N14 | C15 | C16 | 152.0° | 180.0° |
| C13 | N14 | C15 | H15 | 31.6° | 60.0° |
| C13 | N14 | C15 | H15A | 87.5° | 60.1° |
| N14 | C15 | C16 | H15 | 120.5° | 120.0° |
| N14 | C15 | C16 | H15A | 120.4° | 119.9° |
| N14 | C15 | H15 | H15A | 118.6° | 120.0° |
| N14 | C15 | C16 | S17 | 86.6° | 180.0° |
| N14 | C15 | C16 | H16A | 153.6° | 60.1° |
| N14 | C15 | C16 | H16 | 33.1° | 60.0° |
| HN14 | N14 | C15 | C16 | 28.0° | 0.1° |
| HN14 | N14 | C15 | H15 | 148.4° | 120.0° |
| HN14 | N14 | C15 | H15A | 92.5° | 120.0° |
| C16 | C15 | H15 | H15A | 118.7° | 120.0° |
| C15 | C16 | S17 | H16A | 119.7° | 120.0° |
| C15 | C16 | S17 | H16 | 119.7° | 120.0° |
| C15 | C16 | H16A | H16 | 120.9° | 120.1° |
| C15 | C16 | S17 | HS17 | 180.0° | 180.0° |
| H15 | C15 | C16 | S17 | 33.8° | 60.0° |
| H15 | C15 | C16 | H16A | 85.9° | 60.0° |
| H15 | C15 | C16 | H16 | 153.5° | 180.0° |
| H15A | C15 | C16 | S17 | 152.9° | 60.1° |
| H15A | C15 | C16 | H16A | 33.2° | NaN° |
| H15A | C15 | C16 | H16 | 87.3° | 59.9° |
| S17 | C16 | H16A | H16 | 120.8° | 120.0° |
| H16A | C16 | S17 | HS17 | 60.3° | 60.0° |
| H16 | C16 | S17 | HS17 | 60.3° | 60.0° |
| H19A | C19 | H19 | C20 | 117.9° | 120.0° |
| H19A | C19 | C20 | H20 | 61.3° | 54.3° |
| H19A | C19 | C20 | H20A | 58.6° | 174.7° |
| H19 | C19 | C20 | H20 | 57.3° | 65.7° |
| H19 | C19 | C20 | H20A | 177.2° | 54.6° |
| C19 | C20 | H20 | H20A | 119.8° | 120.1° |
