HTX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | O2 | doub | 1.21Å | 1.21Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | O2 | 118.5° | 120.1° |
| C1 | C2 | C3 | 121.4° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| O2 | C2 | C3 | 120.1° | 119.9° |
| C2 | C3 | C5 | 112.0° | 109.5° |
| C2 | C3 | H3 | 108.6° | 109.5° |
| C2 | C3 | H3A | 108.6° | 109.5° |
| C3 | C5 | C11 | 114.6° | 109.5° |
| C5 | C3 | H3 | 108.6° | 109.4° |
| C5 | C3 | H3A | 108.6° | 109.4° |
| C3 | C5 | H5 | 107.8° | 109.5° |
| C3 | C5 | H5A | 107.8° | 109.5° |
| C5 | C11 | C12 | 111.1° | 109.5° |
| C11 | C5 | H5 | 107.8° | 109.5° |
| C11 | C5 | H5A | 107.8° | 109.5° |
| C5 | C11 | H11 | 108.9° | 109.5° |
| C5 | C11 | H11A | 108.9° | 109.5° |
| C11 | C12 | C13 | 111.9° | 109.5° |
| C12 | C11 | H11 | 109.0° | 109.5° |
| C12 | C11 | H11A | 109.0° | 109.5° |
| C11 | C12 | H12 | 108.7° | 109.5° |
| C11 | C12 | H12A | 108.7° | 109.5° |
| C13 | C12 | H12 | 108.7° | 109.5° |
| C13 | C12 | H12A | 108.7° | 109.5° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| C12 | C13 | H13A | 109.5° | 109.5° |
| C12 | C13 | H13B | 109.5° | 109.5° |
| H1 | C1 | H1A | 109.4° | 109.5° |
| H1 | C1 | H1B | 109.4° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H3 | C3 | H3A | 110.3° | 109.4° |
| H5 | C5 | H5A | 111.1° | 109.4° |
| H11 | C11 | H11A | 110.0° | 109.4° |
| H12 | C12 | H12A | 110.2° | 109.5° |
| H13 | C13 | H13A | 109.4° | 109.5° |
| H13 | C13 | H13B | 109.5° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | O2 | C3 | 179.5° | 180.0° |
| C1 | C2 | C3 | C5 | 149.6° | 180.0° |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C3 | H3 | 29.6° | 60.0° |
| C1 | C2 | C3 | H3A | 90.4° | 60.0° |
| O2 | C2 | C3 | C5 | 30.9° | 0.0° |
| O2 | C2 | C1 | H1 | 0.0° | 0.0° |
| O2 | C2 | C1 | H1A | 120.0° | 120.0° |
| O2 | C2 | C1 | H1B | 120.0° | 120.0° |
| O2 | C2 | C3 | H3 | 150.9° | 120.0° |
| O2 | C2 | C3 | H3A | 89.1° | 120.0° |
| C2 | C3 | C5 | H3 | 120.0° | 120.1° |
| C2 | C3 | C5 | H3A | 120.0° | 120.1° |
| C2 | C3 | C5 | C11 | 69.1° | 180.0° |
| C3 | C2 | C1 | H1 | 179.5° | 180.0° |
| C3 | C2 | C1 | H1A | 59.5° | 60.0° |
| C3 | C2 | C1 | H1B | 60.5° | 60.0° |
| C2 | C3 | H3 | H3A | 119.0° | 120.0° |
| C2 | C3 | C5 | H5 | 170.9° | 60.0° |
| C2 | C3 | C5 | H5A | 50.9° | 60.0° |
| C3 | C5 | C11 | H5 | 120.0° | 120.0° |
| C3 | C5 | C11 | H5A | 120.0° | 120.0° |
| C3 | C5 | C11 | C12 | 176.6° | 180.0° |
| C5 | C3 | H3 | H3A | 118.9° | 119.9° |
| C3 | C5 | H5 | H5A | 117.9° | 120.0° |
| C3 | C5 | C11 | H11 | 56.6° | 60.0° |
| C3 | C5 | C11 | H11A | 63.4° | 60.0° |
| C5 | C11 | C12 | H11 | 120.0° | 120.0° |
| C5 | C11 | C12 | H11A | 120.0° | 120.0° |
| C5 | C11 | C12 | C13 | 60.7° | 180.0° |
| C11 | C5 | C3 | H3 | 50.9° | 59.9° |
| C11 | C5 | C3 | H3A | 170.9° | 59.9° |
| C11 | C5 | H5 | H5A | 117.8° | 119.9° |
| C5 | C11 | H11 | H11A | 119.3° | 119.9° |
| C5 | C11 | C12 | H12 | 179.3° | 60.0° |
| C5 | C11 | C12 | H12A | 59.3° | 60.0° |
| C11 | C12 | C13 | H12 | 120.0° | 120.0° |
| C11 | C12 | C13 | H12A | 120.0° | 120.0° |
| C12 | C11 | C5 | H5 | 63.4° | 60.0° |
| C12 | C11 | C5 | H5A | 56.6° | 60.0° |
| C12 | C11 | H11 | H11A | 119.4° | 120.0° |
| C11 | C12 | H12 | H12A | 119.0° | 120.0° |
| C11 | C12 | C13 | H13 | 180.0° | 180.0° |
| C11 | C12 | C13 | H13A | 60.0° | 60.0° |
| C11 | C12 | C13 | H13B | 60.0° | 60.0° |
| C13 | C12 | C11 | H11 | 59.3° | 60.0° |
| C13 | C12 | C11 | H11A | 179.3° | 60.0° |
| C13 | C12 | H12 | H12A | 119.0° | 120.0° |
| C12 | C13 | H13 | H13A | 120.0° | 120.0° |
| C12 | C13 | H13 | H13B | 120.0° | 120.0° |
| C12 | C13 | H13A | H13B | 120.0° | 120.0° |
| H1 | C1 | H1A | H1B | 119.9° | 120.1° |
| H3 | C3 | C5 | H5 | 69.1° | 180.0° |
| H3 | C3 | C5 | H5A | 170.9° | 60.1° |
| H3A | C3 | C5 | H5 | 50.9° | 60.1° |
| H3A | C3 | C5 | H5A | 69.1° | 180.0° |
| H5 | C5 | C11 | H11 | 176.6° | 180.0° |
| H5 | C5 | C11 | H11A | 56.6° | 60.1° |
| H5A | C5 | C11 | H11 | 63.4° | 60.1° |
| H5A | C5 | C11 | H11A | 176.6° | 180.0° |
| H11 | C11 | C12 | H12 | 60.7° | 180.0° |
| H11 | C11 | C12 | H12A | 179.3° | 60.0° |
| H11A | C11 | C12 | H12 | 59.3° | 60.0° |
| H11A | C11 | C12 | H12A | 60.7° | 180.0° |
| H12 | C12 | C13 | H13 | 60.0° | 60.0° |
| H12 | C12 | C13 | H13A | 180.0° | 180.0° |
| H12 | C12 | C13 | H13B | 60.0° | 60.0° |
| H12A | C12 | C13 | H13 | 59.9° | 60.0° |
| H12A | C12 | C13 | H13A | 60.0° | 60.0° |
| H12A | C12 | C13 | H13B | 180.0° | 180.0° |
| H13 | C13 | H13A | H13B | 120.0° | 120.0° |
