8TP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | N2 | sing | 1.40Å | 1.38Å | |
| C4 | N2 | sing | 1.46Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| O1 | C2 | doub | 1.21Å | 1.23Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | C10 | 120.6° | 120.1° |
| C9 | C8 | C7 | 119.9° | 120.2° |
| C9 | C8 | H6 | 120.0° | 120.0° |
| C8 | C9 | H14 | 119.7° | 120.0° |
| C9 | C10 | C5 | 119.8° | 119.9° |
| C9 | C10 | H7 | 120.1° | 120.1° |
| C10 | C9 | H14 | 119.7° | 119.9° |
| C8 | C7 | C6 | 119.8° | 120.0° |
| C8 | C7 | H5 | 120.1° | 120.0° |
| C7 | C8 | H6 | 120.1° | 119.9° |
| C10 | C5 | C6 | 119.3° | 119.8° |
| C10 | C5 | N2 | 120.7° | 120.1° |
| C5 | C10 | H7 | 120.1° | 120.0° |
| C7 | C6 | C5 | 120.6° | 120.0° |
| C7 | C6 | H4 | 119.7° | 120.0° |
| C6 | C7 | H5 | 120.1° | 120.0° |
| C6 | C5 | N2 | 120.0° | 120.1° |
| C5 | C6 | H4 | 119.7° | 120.0° |
| C5 | N2 | C4 | 121.9° | 120.0° |
| C5 | N2 | H13 | 106.3° | 120.0° |
| N2 | C4 | C3 | 111.5° | 109.5° |
| N2 | C4 | H2 | 109.0° | 109.5° |
| N2 | C4 | H3 | 109.0° | 109.5° |
| C4 | N2 | H13 | 106.3° | 120.1° |
| C4 | C3 | N1 | 111.3° | 109.5° |
| C3 | C4 | H2 | 109.0° | 109.5° |
| C3 | C4 | H3 | 108.9° | 109.5° |
| C4 | C3 | H11 | 109.0° | 109.5° |
| C4 | C3 | H12 | 109.0° | 109.5° |
| C3 | N1 | C2 | 121.8° | 120.0° |
| C3 | N1 | H1 | 119.1° | 120.0° |
| N1 | C3 | H11 | 109.0° | 109.5° |
| N1 | C3 | H12 | 109.0° | 109.5° |
| N1 | C2 | O1 | 121.4° | 120.0° |
| N1 | C2 | C1 | 119.7° | 120.0° |
| C2 | N1 | H1 | 119.1° | 120.0° |
| O1 | C2 | C1 | 118.8° | 120.0° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.4° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.4° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H11 | C3 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | C10 | H14 | 180.0° | 179.6° |
| C9 | C8 | C7 | H6 | 180.0° | 180.0° |
| C8 | C9 | C10 | C5 | 0.1° | 0.7° |
| C9 | C8 | C7 | C6 | 0.1° | 0.0° |
| C9 | C8 | C7 | H5 | 179.9° | 180.0° |
| C8 | C9 | C10 | H7 | 179.9° | 180.0° |
| C10 | C9 | C8 | C7 | 0.0° | 0.3° |
| C9 | C10 | C5 | H7 | 180.0° | 179.3° |
| C9 | C10 | C5 | C6 | 0.1° | 0.7° |
| C9 | C10 | C5 | N2 | 179.9° | 179.7° |
| C10 | C9 | C8 | H6 | 179.9° | 179.7° |
| C8 | C7 | C6 | H5 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.1° | 0.0° |
| C8 | C7 | C6 | H4 | 179.9° | 180.0° |
| C7 | C8 | C9 | H14 | 180.0° | 180.0° |
| C10 | C5 | C6 | C7 | 0.0° | 0.3° |
| C10 | C5 | C6 | N2 | 180.0° | 179.7° |
| C10 | C5 | N2 | C4 | 1.7° | 0.3° |
| C10 | C5 | C6 | H4 | 180.0° | 179.7° |
| C10 | C5 | N2 | H13 | 123.4° | 179.7° |
| C5 | C10 | C9 | H14 | 179.9° | 179.7° |
| C7 | C6 | C5 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | N2 | 180.0° | 180.0° |
| C6 | C7 | C8 | H6 | 179.9° | 180.0° |
| C6 | C5 | N2 | C4 | 178.3° | 180.0° |
| C5 | C6 | C7 | H5 | 179.9° | 180.0° |
| C6 | C5 | C10 | H7 | 179.9° | 180.0° |
| C6 | C5 | N2 | H13 | 56.6° | 0.0° |
| C5 | N2 | C4 | H13 | 121.7° | 180.0° |
| C5 | N2 | C4 | C3 | 175.3° | 180.0° |
| C5 | N2 | C4 | H2 | 55.0° | 60.0° |
| C5 | N2 | C4 | H3 | 64.4° | 60.0° |
| N2 | C5 | C6 | H4 | 0.0° | 0.0° |
| N2 | C5 | C10 | H7 | 0.1° | 0.4° |
| N2 | C4 | C3 | H2 | 120.3° | 120.0° |
| N2 | C4 | C3 | H3 | 120.3° | 120.0° |
| N2 | C4 | C3 | N1 | 72.3° | 180.0° |
| N2 | C4 | H2 | H3 | 119.1° | 120.0° |
| N2 | C4 | C3 | H11 | 167.4° | 60.0° |
| N2 | C4 | C3 | H12 | 47.9° | 60.0° |
| C4 | C3 | N1 | H11 | 120.2° | 120.1° |
| C4 | C3 | N1 | H12 | 120.3° | 120.0° |
| C4 | C3 | N1 | C2 | 173.2° | 180.0° |
| C4 | C3 | N1 | H1 | 6.8° | 0.2° |
| C3 | C4 | H2 | H3 | 119.0° | 120.0° |
| C4 | C3 | H11 | H12 | 119.2° | 120.0° |
| C3 | C4 | N2 | H13 | 62.9° | 0.0° |
| C3 | N1 | C2 | H1 | 180.0° | 179.8° |
| C3 | N1 | C2 | O1 | 0.9° | 0.2° |
| C3 | N1 | C2 | C1 | 178.2° | 179.7° |
| N1 | C3 | C4 | H2 | 48.0° | 59.9° |
| N1 | C3 | C4 | H3 | 167.4° | 60.0° |
| N1 | C3 | H11 | H12 | 119.2° | 120.0° |
| N1 | C2 | O1 | C1 | 179.1° | 179.9° |
| N1 | C2 | C1 | H8 | 179.1° | 90.0° |
| N1 | C2 | C1 | H9 | 59.1° | 150.0° |
| N1 | C2 | C1 | H10 | 60.9° | 30.1° |
| C2 | N1 | C3 | H11 | 66.6° | 59.9° |
| C2 | N1 | C3 | H12 | 52.9° | 60.0° |
| O1 | C2 | N1 | H1 | 179.1° | 180.0° |
| O1 | C2 | C1 | H8 | 0.0° | 90.0° |
| O1 | C2 | C1 | H9 | 120.0° | 30.0° |
| O1 | C2 | C1 | H10 | 120.0° | 150.0° |
| C1 | C2 | N1 | H1 | 1.8° | 0.1° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| H1 | N1 | C3 | H11 | 113.5° | 120.3° |
| H1 | N1 | C3 | H12 | 127.0° | 119.8° |
| H2 | C4 | C3 | H11 | 72.2° | 180.0° |
| H2 | C4 | C3 | H12 | 168.3° | 60.1° |
| H2 | C4 | N2 | H13 | 176.7° | 120.0° |
| H3 | C4 | C3 | H11 | 47.1° | 60.1° |
| H3 | C4 | C3 | H12 | 72.4° | 180.0° |
| H3 | C4 | N2 | H13 | 57.3° | 120.0° |
| H4 | C6 | C7 | H5 | 0.1° | 0.0° |
| H5 | C7 | C8 | H6 | 0.1° | 0.0° |
| H6 | C8 | C9 | H14 | 0.0° | 0.0° |
| H7 | C10 | C9 | H14 | 0.1° | 0.4° |
| H8 | C1 | H9 | H10 | 120.0° | 120.0° |
