2HT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | sing | 1.40Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.43Å | 1.27Å | |
| C28 | C31 | doub | 1.40Å | 1.38Å | Aromatic |
| N30 | C29 | trip | 1.14Å | 1.15Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C31 | 119.2° | 120.2° |
| C25 | C24 | C23 | 119.7° | 119.9° |
| C24 | C25 | C26 | 121.0° | 120.3° |
| C24 | C25 | H25 | 119.5° | 119.8° |
| C31 | C24 | C23 | 120.6° | 119.9° |
| C24 | C31 | C28 | 119.8° | 119.9° |
| C24 | C31 | H31 | 120.1° | 120.1° |
| C24 | C23 | H23 | 109.5° | 109.5° |
| C24 | C23 | H23A | 109.5° | 109.5° |
| C24 | C23 | H23B | 109.4° | 109.5° |
| C27 | C26 | C25 | 119.5° | 120.1° |
| C27 | C26 | H26 | 120.3° | 119.9° |
| C26 | C27 | C28 | 120.3° | 119.8° |
| C26 | C27 | H27 | 119.8° | 120.1° |
| C25 | C26 | H26 | 120.2° | 120.0° |
| C26 | C25 | H25 | 119.5° | 119.9° |
| C27 | C28 | C29 | 118.8° | 120.1° |
| C27 | C28 | C31 | 120.1° | 119.7° |
| C28 | C27 | H27 | 119.8° | 120.1° |
| C29 | C28 | C31 | 121.0° | 120.2° |
| C28 | C29 | N30 | 177.3° | 180.0° |
| C28 | C31 | H31 | 120.1° | 120.1° |
| H23 | C23 | H23A | 109.5° | 109.4° |
| H23 | C23 | H23B | 109.5° | 109.5° |
| H23A | C23 | H23B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C31 | C23 | 171.5° | 179.7° |
| C24 | C25 | C26 | C27 | 0.5° | 0.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | H26 | 179.5° | 179.7° |
| C25 | C24 | C31 | C28 | 1.2° | 0.3° |
| C25 | C24 | C31 | H31 | 178.9° | 179.8° |
| C25 | C24 | C23 | H23 | 8.7° | 89.7° |
| C25 | C24 | C23 | H23A | 128.7° | 30.3° |
| C25 | C24 | C23 | H23B | 111.3° | 150.3° |
| C31 | C24 | C25 | C26 | 0.5° | 0.0° |
| C24 | C31 | C28 | C27 | 1.0° | 0.6° |
| C24 | C31 | C28 | C29 | 179.1° | 180.0° |
| C24 | C31 | C28 | H31 | 180.0° | 179.9° |
| C31 | C24 | C25 | H25 | 179.5° | 180.0° |
| C31 | C24 | C23 | H23 | 179.9° | 90.0° |
| C31 | C24 | C23 | H23A | 59.8° | 150.0° |
| C31 | C24 | C23 | H23B | 60.2° | 30.1° |
| C23 | C24 | C25 | C26 | 171.1° | 179.7° |
| C23 | C24 | C31 | C28 | 170.3° | 180.0° |
| C23 | C24 | C25 | H25 | 8.9° | 0.3° |
| C23 | C24 | C31 | H31 | 9.7° | 0.1° |
| C24 | C23 | H23 | H23A | 120.0° | 120.0° |
| C24 | C23 | H23 | H23B | 120.0° | 120.0° |
| C24 | C23 | H23A | H23B | 120.0° | 120.0° |
| C27 | C26 | C25 | H26 | 180.0° | 179.6° |
| C26 | C27 | C28 | H27 | 180.0° | 179.7° |
| C26 | C27 | C28 | C29 | 178.3° | 180.0° |
| C26 | C27 | C28 | C31 | 0.0° | 0.6° |
| C27 | C26 | C25 | H25 | 179.6° | 180.0° |
| C25 | C26 | C27 | C28 | 0.7° | 0.3° |
| C25 | C26 | C27 | H27 | 179.3° | 180.0° |
| H26 | C26 | C27 | C28 | 179.3° | 180.0° |
| H26 | C26 | C27 | H27 | 0.7° | 0.3° |
| H26 | C26 | C25 | H25 | 0.4° | 0.3° |
| C27 | C28 | C29 | C31 | 178.2° | 179.4° |
| C27 | C28 | C29 | N30 | 53.4° | 144.6° |
| C27 | C28 | C31 | H31 | 179.1° | 179.5° |
| C29 | C28 | C27 | H27 | 1.8° | 0.3° |
| C29 | C28 | C31 | H31 | 0.9° | 0.0° |
| C31 | C28 | C29 | N30 | 124.8° | 34.8° |
| C31 | C28 | C27 | H27 | 180.0° | 179.7° |
| H23 | C23 | H23A | H23B | 120.0° | 120.0° |






