8SY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C7 | sing | 1.40Å | 1.37Å | |
| C8 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.36Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | N1 | sing | 1.40Å | 1.42Å | |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C1 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C2 | sing | 1.35Å | 1.37Å | |
| C4 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C7 | C8 | 119.6° | 120.0° |
| N2 | C7 | C6 | 120.3° | 120.0° |
| C7 | N2 | H11 | 109.5° | 120.0° |
| C7 | N2 | H12 | 109.5° | 120.0° |
| C7 | C8 | C9 | 120.1° | 120.0° |
| C8 | C7 | C6 | 120.1° | 120.0° |
| C7 | C8 | H4 | 120.0° | 120.0° |
| C8 | C9 | C10 | 120.3° | 120.0° |
| C9 | C8 | H4 | 120.0° | 120.0° |
| C8 | C9 | H10 | 119.8° | 120.0° |
| C7 | C6 | C5 | 119.9° | 119.9° |
| C7 | C6 | H3 | 120.1° | 120.1° |
| C9 | C10 | C5 | 120.0° | 120.0° |
| C9 | C10 | N1 | 120.3° | 120.1° |
| C10 | C9 | H10 | 119.8° | 120.0° |
| C6 | C5 | C10 | 119.6° | 120.0° |
| C6 | C5 | C4 | 120.8° | 120.1° |
| C5 | C6 | H3 | 120.0° | 120.0° |
| C5 | C10 | N1 | 119.7° | 119.9° |
| C10 | C5 | C4 | 119.6° | 119.9° |
| C10 | N1 | C1 | 119.7° | 119.8° |
| C10 | N1 | C2 | 119.3° | 120.4° |
| C5 | C4 | C3 | 108.3° | 109.5° |
| C5 | C4 | H1 | 109.8° | 109.4° |
| C5 | C4 | H2 | 109.8° | 109.5° |
| C1 | N1 | C2 | 121.0° | 119.7° |
| N1 | C1 | H5 | 109.5° | 109.5° |
| N1 | C1 | H6 | 109.5° | 109.5° |
| N1 | C1 | H7 | 109.5° | 109.4° |
| N1 | C2 | C3 | 118.7° | 120.8° |
| N1 | C2 | O1 | 121.2° | 119.6° |
| C4 | C3 | C2 | 109.3° | 109.9° |
| C3 | C4 | H1 | 109.8° | 109.4° |
| C3 | C4 | H2 | 109.8° | 109.5° |
| C4 | C3 | H8 | 109.5° | 109.4° |
| C4 | C3 | H9 | 109.5° | 109.4° |
| C3 | C2 | O1 | 120.0° | 119.6° |
| C2 | C3 | H8 | 109.5° | 109.4° |
| C2 | C3 | H9 | 109.5° | 109.4° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.6° |
| H5 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H8 | C3 | H9 | 109.5° | 109.3° |
| H11 | N2 | H12 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C7 | C8 | C6 | 179.8° | 180.0° |
| N2 | C7 | C8 | C9 | 179.6° | 180.0° |
| N2 | C7 | C6 | C5 | 179.8° | 180.0° |
| N2 | C7 | C6 | H3 | 0.2° | 0.1° |
| N2 | C7 | C8 | H4 | 0.4° | 0.0° |
| C7 | N2 | H11 | H12 | 120.0° | 179.9° |
| C7 | C8 | C9 | H4 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 1.0° | 0.1° |
| C8 | C7 | C6 | C5 | 0.0° | 0.1° |
| C8 | C7 | C6 | H3 | 180.0° | 179.9° |
| C7 | C8 | C9 | H10 | 179.1° | 179.9° |
| C8 | C7 | N2 | H11 | 180.0° | 179.9° |
| C8 | C7 | N2 | H12 | 60.0° | 0.0° |
| C9 | C8 | C7 | C6 | 0.6° | 0.1° |
| C8 | C9 | C10 | H10 | 180.0° | 179.9° |
| C8 | C9 | C10 | C5 | 0.8° | 0.1° |
| C8 | C9 | C10 | N1 | 179.4° | 180.0° |
| C7 | C6 | C5 | H3 | 180.0° | 179.9° |
| C7 | C6 | C5 | C10 | 0.2° | 0.1° |
| C7 | C6 | C5 | C4 | 179.5° | 180.0° |
| C6 | C7 | C8 | H4 | 179.4° | 180.0° |
| C6 | C7 | N2 | H11 | 0.2° | 0.0° |
| C6 | C7 | N2 | H12 | 120.2° | 179.9° |
| C9 | C10 | C5 | C6 | 0.2° | 0.1° |
| C9 | C10 | C5 | N1 | 179.8° | 179.9° |
| C9 | C10 | C5 | C4 | 179.1° | 180.0° |
| C9 | C10 | N1 | C1 | 12.8° | 18.7° |
| C9 | C10 | N1 | C2 | 166.3° | 161.5° |
| C10 | C9 | C8 | H4 | 179.0° | 180.0° |
| C6 | C5 | C10 | C4 | 179.3° | 180.0° |
| C6 | C5 | C10 | N1 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 144.8° | 146.0° |
| C6 | C5 | C4 | H1 | 95.4° | 94.0° |
| C6 | C5 | C4 | H2 | 25.0° | 26.0° |
| C5 | C10 | N1 | C1 | 167.0° | 161.2° |
| C5 | C10 | N1 | C2 | 13.9° | 18.5° |
| C10 | C5 | C4 | C3 | 36.0° | 33.9° |
| C10 | C5 | C4 | H1 | 83.8° | 86.0° |
| C10 | C5 | C4 | H2 | 155.8° | 154.0° |
| C10 | C5 | C6 | H3 | 179.8° | 179.9° |
| C5 | C10 | C9 | H10 | 179.2° | 179.9° |
| N1 | C10 | C5 | C4 | 0.7° | 0.0° |
| C10 | N1 | C1 | C2 | 179.1° | 179.8° |
| C10 | N1 | C2 | C3 | 9.8° | 0.8° |
| C10 | N1 | C2 | O1 | 172.5° | 179.2° |
| C10 | N1 | C1 | H5 | 180.0° | 179.7° |
| C10 | N1 | C1 | H6 | 60.0° | 60.2° |
| C10 | N1 | C1 | H7 | 60.0° | 59.7° |
| N1 | C10 | C9 | H10 | 0.5° | 0.1° |
| C5 | C4 | C3 | H1 | 119.8° | 120.0° |
| C5 | C4 | C3 | H2 | 119.8° | 120.1° |
| C5 | C4 | C3 | C2 | 55.5° | 48.6° |
| C5 | C4 | H1 | H2 | 120.6° | 120.0° |
| C4 | C5 | C6 | H3 | 0.5° | 0.1° |
| C5 | C4 | C3 | H8 | 175.5° | 168.8° |
| C5 | C4 | C3 | H9 | 64.4° | 71.5° |
| C1 | N1 | C2 | C3 | 169.3° | 179.4° |
| C1 | N1 | C2 | O1 | 8.5° | 0.6° |
| N1 | C1 | H5 | H6 | 120.0° | 120.0° |
| N1 | C1 | H5 | H7 | 120.0° | 119.9° |
| N1 | C1 | H6 | H7 | 120.0° | 119.9° |
| N1 | C2 | C3 | C4 | 45.7° | 35.3° |
| N1 | C2 | C3 | O1 | 177.8° | 180.0° |
| C2 | N1 | C1 | H5 | 1.0° | 0.1° |
| C2 | N1 | C1 | H6 | 119.1° | 120.0° |
| C2 | N1 | C1 | H7 | 120.9° | 120.0° |
| N1 | C2 | C3 | H8 | 165.7° | 155.4° |
| N1 | C2 | C3 | H9 | 74.3° | 84.9° |
| C4 | C3 | C2 | H8 | 120.0° | 120.1° |
| C4 | C3 | C2 | H9 | 120.0° | 120.1° |
| C4 | C3 | C2 | O1 | 136.5° | 144.8° |
| C3 | C4 | H1 | H2 | 120.6° | 120.0° |
| C4 | C3 | H8 | H9 | 120.1° | 119.7° |
| C2 | C3 | C4 | H1 | 64.3° | 71.3° |
| C2 | C3 | C4 | H2 | 175.4° | 168.7° |
| C2 | C3 | H8 | H9 | 120.0° | 119.8° |
| O1 | C2 | C3 | H8 | 16.5° | 24.7° |
| O1 | C2 | C3 | H9 | 103.5° | 95.1° |
| H1 | C4 | C3 | H8 | 55.7° | 48.8° |
| H1 | C4 | C3 | H9 | 175.8° | 168.5° |
| H2 | C4 | C3 | H8 | 64.7° | 71.1° |
| H2 | C4 | C3 | H9 | 55.4° | 48.6° |
| H4 | C8 | C9 | H10 | 1.0° | 0.1° |
| H5 | C1 | H6 | H7 | 120.0° | 120.0° |
