SVK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | doub | 1.34Å | 1.36Å | Aromatic |
| C8 | N | sing | 1.37Å | 1.37Å | Aromatic |
| C7 | C10 | sing | 1.46Å | 1.43Å | Aromatic |
| N | C9 | sing | 1.37Å | 1.37Å | Aromatic |
| C10 | C9 | doub | 1.41Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | C13 | doub | 1.32Å | 1.34Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.08Å | 1.08Å | |
| C5 | H11 | sing | 1.08Å | 1.08Å | |
| C | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | C5 | 119.6° | 120.0° |
| C | C1 | C2 | 120.2° | 120.0° |
| C | C1 | H1 | 119.9° | 120.0° |
| C1 | C | H12 | 120.2° | 120.0° |
| C | C5 | C4 | 120.2° | 120.0° |
| C | C5 | H11 | 119.9° | 120.0° |
| C5 | C | H12 | 120.2° | 120.0° |
| C1 | C2 | C3 | 120.6° | 120.0° |
| C2 | C1 | H1 | 119.9° | 120.0° |
| C1 | C2 | H2 | 119.7° | 120.0° |
| C5 | C4 | C3 | 120.7° | 120.0° |
| C5 | C4 | H10 | 119.6° | 120.0° |
| C4 | C5 | H11 | 119.9° | 120.0° |
| C2 | C3 | C4 | 118.6° | 120.0° |
| C2 | C3 | C6 | 120.6° | 120.0° |
| C3 | C2 | H2 | 119.7° | 120.0° |
| C4 | C3 | C6 | 120.7° | 120.0° |
| C3 | C4 | H10 | 119.7° | 120.0° |
| C3 | C6 | C7 | 119.7° | 109.5° |
| C3 | C6 | H8 | 106.8° | 109.5° |
| C3 | C6 | H9 | 106.8° | 109.4° |
| C6 | C7 | C8 | 127.9° | 126.6° |
| C6 | C7 | C10 | 126.0° | 126.6° |
| C7 | C6 | H8 | 106.8° | 109.5° |
| C7 | C6 | H9 | 106.8° | 109.5° |
| C7 | C8 | N | 110.2° | 109.9° |
| C8 | C7 | C10 | 106.1° | 106.9° |
| C7 | C8 | H3 | 124.9° | 125.0° |
| C8 | N | C9 | 108.4° | 110.0° |
| N | C8 | H3 | 124.9° | 125.1° |
| C8 | N | H7 | 125.8° | 125.0° |
| C7 | C10 | C9 | 107.0° | 106.2° |
| C7 | C10 | C11 | 135.9° | 134.3° |
| N | C9 | C10 | 108.2° | 107.0° |
| N | C9 | N1 | 125.8° | 133.2° |
| C9 | N | H7 | 125.8° | 125.0° |
| C9 | C10 | C11 | 117.1° | 119.5° |
| C10 | C9 | N1 | 126.0° | 119.8° |
| C10 | C11 | C12 | 118.4° | 118.0° |
| C10 | C11 | H4 | 120.8° | 121.0° |
| C9 | N1 | C13 | 115.1° | 121.7° |
| C11 | C12 | C13 | 119.4° | 119.4° |
| C12 | C11 | H4 | 120.8° | 121.0° |
| C11 | C12 | H5 | 120.3° | 120.3° |
| N1 | C13 | C12 | 124.0° | 121.5° |
| N1 | C13 | H6 | 118.0° | 119.2° |
| C13 | C12 | H5 | 120.3° | 120.3° |
| C12 | C13 | H6 | 118.0° | 119.3° |
| H8 | C6 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | C5 | H12 | 180.0° | 179.5° |
| C | C1 | C2 | H1 | 180.0° | 179.9° |
| C1 | C | C5 | C4 | 0.1° | 0.4° |
| C | C1 | C2 | C3 | 0.2° | 0.2° |
| C | C1 | C2 | H2 | 179.8° | 179.8° |
| C1 | C | C5 | H11 | 179.9° | 179.8° |
| C5 | C | C1 | C2 | 0.1° | 0.4° |
| C | C5 | C4 | H11 | 180.0° | 179.8° |
| C | C5 | C4 | C3 | 0.2° | 0.2° |
| C5 | C | C1 | H1 | 179.9° | 179.7° |
| C | C5 | C4 | H10 | 179.8° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C1 | C2 | C3 | C6 | 179.6° | 180.0° |
| C2 | C1 | C | H12 | 179.9° | 180.0° |
| C5 | C4 | C3 | C2 | 0.4° | 0.0° |
| C5 | C4 | C3 | H10 | 180.0° | 180.0° |
| C5 | C4 | C3 | C6 | 179.6° | 180.0° |
| C4 | C5 | C | H12 | 179.9° | 180.0° |
| C2 | C3 | C4 | C6 | 179.2° | 180.0° |
| C2 | C3 | C6 | C7 | 95.7° | 90.0° |
| C3 | C2 | C1 | H1 | 179.8° | 179.9° |
| C2 | C3 | C6 | H8 | 142.9° | 150.0° |
| C2 | C3 | C6 | H9 | 25.7° | 30.0° |
| C2 | C3 | C4 | H10 | 179.6° | 180.0° |
| C4 | C3 | C6 | C7 | 85.1° | 90.0° |
| C4 | C3 | C2 | H2 | 179.6° | 180.0° |
| C4 | C3 | C6 | H8 | 36.4° | 30.0° |
| C4 | C3 | C6 | H9 | 153.5° | 150.0° |
| C3 | C4 | C5 | H11 | 179.8° | 180.0° |
| C3 | C6 | C7 | H8 | 121.4° | 120.0° |
| C3 | C6 | C7 | H9 | 121.4° | 119.9° |
| C3 | C6 | C7 | C8 | 53.5° | 94.7° |
| C3 | C6 | C7 | C10 | 127.7° | 85.1° |
| C6 | C3 | C2 | H2 | 0.3° | 0.0° |
| C3 | C6 | H8 | H9 | 115.4° | 119.9° |
| C6 | C3 | C4 | H10 | 0.4° | 0.0° |
| C6 | C7 | C8 | C10 | 179.0° | 179.8° |
| C6 | C7 | C8 | N | 179.2° | 179.7° |
| C6 | C7 | C10 | C9 | 179.2° | 179.7° |
| C6 | C7 | C10 | C11 | 1.0° | 0.2° |
| C6 | C7 | C8 | H3 | 0.8° | 0.3° |
| C7 | C6 | H8 | H9 | 115.4° | 120.0° |
| C7 | C8 | N | H3 | 180.0° | 180.0° |
| C7 | C8 | N | C9 | 0.1° | 0.0° |
| C8 | C7 | C10 | C9 | 0.2° | 0.0° |
| C8 | C7 | C10 | C11 | 180.0° | 180.0° |
| C7 | C8 | N | H7 | 179.9° | 180.0° |
| C8 | C7 | C6 | H8 | 67.9° | 145.3° |
| C8 | C7 | C6 | H9 | 175.0° | 25.3° |
| N | C8 | C7 | C10 | 0.2° | 0.0° |
| C8 | N | C9 | H7 | 180.0° | 179.9° |
| C8 | N | C9 | C10 | 0.0° | 0.0° |
| C8 | N | C9 | N1 | 179.9° | 180.0° |
| C7 | C10 | C9 | N | 0.2° | 0.0° |
| C7 | C10 | C9 | C11 | 179.8° | 179.9° |
| C7 | C10 | C9 | N1 | 179.8° | 180.0° |
| C7 | C10 | C11 | C12 | 179.9° | 180.0° |
| C10 | C7 | C8 | H3 | 179.8° | 180.0° |
| C7 | C10 | C11 | H4 | 0.1° | 0.1° |
| C10 | C7 | C6 | H8 | 110.9° | 35.0° |
| C10 | C7 | C6 | H9 | 6.2° | 155.0° |
| N | C9 | C10 | N1 | 179.9° | 180.0° |
| N | C9 | C10 | C11 | 180.0° | 180.0° |
| N | C9 | N1 | C13 | 179.9° | 180.0° |
| C9 | N | C8 | H3 | 179.9° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.1° |
| C10 | C9 | N1 | C13 | 0.2° | 0.0° |
| C9 | C10 | C11 | H4 | 179.9° | 180.0° |
| C10 | C9 | N | H7 | 180.0° | 179.9° |
| C11 | C10 | C9 | N1 | 0.1° | 0.1° |
| C10 | C11 | C12 | H4 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C10 | C11 | C12 | H5 | 179.8° | 180.0° |
| C9 | N1 | C13 | C12 | 0.1° | 0.0° |
| C9 | N1 | C13 | H6 | 179.9° | 179.9° |
| N1 | C9 | N | H7 | 0.1° | 0.0° |
| C11 | C12 | C13 | N1 | 0.1° | 0.0° |
| C11 | C12 | C13 | H5 | 180.0° | 179.9° |
| C11 | C12 | C13 | H6 | 179.9° | 179.9° |
| N1 | C13 | C12 | H6 | 180.0° | 179.9° |
| N1 | C13 | C12 | H5 | 179.9° | 179.9° |
| C13 | C12 | C11 | H4 | 179.8° | 180.0° |
| H1 | C1 | C2 | H2 | 0.2° | 0.1° |
| H1 | C1 | C | H12 | 0.1° | 0.2° |
| H3 | C8 | N | H7 | 0.1° | 0.0° |
| H4 | C11 | C12 | H5 | 0.2° | 0.1° |
| H5 | C12 | C13 | H6 | 0.1° | 0.0° |
| H10 | C4 | C5 | H11 | 0.2° | 0.0° |
| H11 | C5 | C | H12 | 0.1° | 0.2° |
