YTP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| O11 | C1 | sing | 1.36Å | 1.40Å | |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.37Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C7 | sing | 1.47Å | 1.51Å | |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | C6 | sing | 1.51Å | 1.53Å | |
| C9 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | O8 | doub | 1.21Å | 1.22Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | O11 | 118.7° | 119.9° |
| C6 | C1 | C2 | 120.4° | 120.2° |
| C1 | C6 | C5 | 119.8° | 120.0° |
| C1 | C6 | C10 | 120.1° | 120.0° |
| O11 | C1 | C2 | 120.9° | 119.9° |
| C1 | O11 | HO11 | 109.5° | 114.0° |
| C1 | C2 | C3 | 120.2° | 120.2° |
| C1 | C2 | H2 | 119.9° | 119.8° |
| C3 | C2 | H2 | 119.9° | 119.9° |
| C2 | C3 | C4 | 119.4° | 120.0° |
| C2 | C3 | H3 | 120.3° | 120.0° |
| C4 | C3 | H3 | 120.3° | 120.0° |
| C3 | C4 | C5 | 120.4° | 119.7° |
| C3 | C4 | C7 | 120.5° | 120.2° |
| C5 | C4 | C7 | 119.1° | 120.1° |
| C4 | C5 | C6 | 119.9° | 119.8° |
| C4 | C5 | H5 | 120.0° | 120.1° |
| C4 | C7 | C9 | 120.2° | 120.0° |
| C4 | C7 | O8 | 120.3° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.2° |
| C5 | C6 | C10 | 120.1° | 120.0° |
| C6 | C10 | H10 | 109.5° | 109.4° |
| C6 | C10 | H10A | 109.5° | 109.5° |
| C6 | C10 | H10B | 109.5° | 109.4° |
| C9 | C7 | O8 | 119.4° | 120.0° |
| C7 | C9 | H9 | 109.5° | 109.5° |
| C7 | C9 | H9A | 109.4° | 109.5° |
| C7 | C9 | H9B | 109.4° | 109.5° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| H9 | C9 | H9B | 109.5° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H10 | C10 | H10B | 109.5° | 109.5° |
| H10A | C10 | H10B | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | O11 | C2 | 179.9° | 179.7° |
| C6 | C1 | C2 | C3 | 0.1° | 0.1° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.6° | 0.0° |
| C1 | C6 | C5 | C10 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.4° | 180.0° |
| C1 | C6 | C10 | H10 | 90.0° | 89.9° |
| C1 | C6 | C10 | H10A | 150.0° | 150.0° |
| C1 | C6 | C10 | H10B | 30.0° | 30.0° |
| C6 | C1 | O11 | HO11 | 180.0° | 90.3° |
| O11 | C1 | C2 | C3 | 179.8° | 179.8° |
| O11 | C1 | C2 | H2 | 0.2° | 0.4° |
| O11 | C1 | C6 | C5 | 179.5° | 179.7° |
| O11 | C1 | C6 | C10 | 0.5° | 0.3° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.0° | 0.1° |
| C1 | C2 | C3 | H3 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.4° | 0.0° |
| C2 | C1 | C6 | C10 | 179.6° | 179.9° |
| C2 | C1 | O11 | HO11 | 0.2° | 90.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C2 | C3 | C4 | C7 | 177.6° | 180.0° |
| H2 | C2 | C3 | C4 | 179.9° | 180.0° |
| H2 | C2 | C3 | H3 | 0.0° | 0.1° |
| C3 | C4 | C5 | C7 | 177.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.0° |
| C3 | C4 | C5 | H5 | 179.5° | 180.0° |
| C3 | C4 | C7 | C9 | 174.8° | 174.5° |
| C3 | C4 | C7 | O8 | 5.1° | 5.6° |
| H3 | C3 | C4 | C5 | 179.8° | 180.0° |
| H3 | C3 | C4 | C7 | 2.4° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C10 | 179.4° | 180.0° |
| C5 | C4 | C7 | C9 | 3.0° | 5.5° |
| C5 | C4 | C7 | O8 | 177.1° | 174.4° |
| C7 | C4 | C5 | C6 | 177.3° | 180.0° |
| C7 | C4 | C5 | H5 | 2.7° | 0.0° |
| C4 | C7 | C9 | O8 | 179.9° | 179.9° |
| C4 | C7 | C9 | H9 | 179.9° | 5.0° |
| C4 | C7 | C9 | H9A | 60.1° | 125.0° |
| C4 | C7 | C9 | H9B | 59.9° | 114.9° |
| C5 | C6 | C10 | H10 | 90.0° | 90.1° |
| C5 | C6 | C10 | H10A | 30.0° | 30.0° |
| C5 | C6 | C10 | H10B | 150.0° | 150.0° |
| H5 | C5 | C6 | C10 | 0.6° | 0.1° |
| C6 | C10 | H10 | H10A | 120.0° | 120.1° |
| C6 | C10 | H10 | H10B | 120.0° | 119.9° |
| C6 | C10 | H10A | H10B | 120.0° | 120.0° |
| C7 | C9 | H9 | H9A | 120.0° | 120.0° |
| C7 | C9 | H9 | H9B | 120.0° | 120.0° |
| C7 | C9 | H9A | H9B | 120.0° | 120.0° |
| O8 | C7 | C9 | H9 | 0.0° | 174.9° |
| O8 | C7 | C9 | H9A | 120.0° | 54.9° |
| O8 | C7 | C9 | H9B | 120.0° | 65.1° |
| H9 | C9 | H9A | H9B | 120.0° | 120.0° |
| H10 | C10 | H10A | H10B | 120.0° | 120.0° |
