VS7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.37Å | 1.35Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C9 | C10 | doub | 1.38Å | 1.36Å | Aromatic |
| C6 | C3 | sing | 1.46Å | 1.41Å | Aromatic |
| C6 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.34Å | 1.36Å | Aromatic |
| C10 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | N | sing | 1.38Å | 1.37Å | Aromatic |
| C | C1 | sing | 1.53Å | 1.51Å | |
| C4 | N | sing | 1.37Å | 1.37Å | Aromatic |
| C1 | N1 | sing | 1.47Å | 1.55Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| N | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 121.5° | 120.5° |
| C8 | C7 | C6 | 118.6° | 119.7° |
| C8 | C7 | H4 | 120.7° | 120.1° |
| C7 | C8 | H5 | 119.2° | 119.7° |
| C8 | C9 | C10 | 121.9° | 120.7° |
| C9 | C8 | H5 | 119.3° | 119.7° |
| C8 | C9 | H6 | 119.0° | 119.6° |
| C7 | C6 | C3 | 133.8° | 134.0° |
| C7 | C6 | C5 | 119.2° | 119.9° |
| C6 | C7 | H4 | 120.7° | 120.1° |
| C3 | C2 | C1 | 110.3° | 109.5° |
| C2 | C3 | C6 | 127.2° | 126.5° |
| C2 | C3 | C4 | 126.0° | 126.5° |
| C3 | C2 | H9 | 109.3° | 109.5° |
| C3 | C2 | H10 | 109.2° | 109.5° |
| C2 | C1 | C | 110.8° | 109.5° |
| C2 | C1 | N1 | 111.8° | 109.5° |
| C2 | C1 | H7 | 109.3° | 109.5° |
| C1 | C2 | H9 | 109.3° | 109.4° |
| C1 | C2 | H10 | 109.3° | 109.5° |
| C9 | C10 | C5 | 116.1° | 119.8° |
| C10 | C9 | H6 | 119.1° | 119.7° |
| C9 | C10 | H14 | 122.0° | 120.1° |
| C3 | C6 | C5 | 107.1° | 106.0° |
| C6 | C3 | C4 | 106.8° | 107.0° |
| C6 | C5 | C10 | 122.7° | 119.3° |
| C6 | C5 | N | 108.1° | 107.1° |
| C3 | C4 | N | 110.4° | 109.9° |
| C3 | C4 | H8 | 124.8° | 125.0° |
| C10 | C5 | N | 129.2° | 133.6° |
| C5 | C10 | H14 | 121.9° | 120.1° |
| C5 | N | C4 | 107.8° | 109.9° |
| C5 | N | H15 | 126.1° | 125.0° |
| C | C1 | N1 | 105.7° | 109.4° |
| C | C1 | H7 | 109.8° | 109.5° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H12 | 109.4° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| N | C4 | H8 | 124.8° | 125.0° |
| C4 | N | H15 | 126.1° | 125.1° |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.4° | 111.1° |
| N1 | C1 | H7 | 109.3° | 109.4° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| H9 | C2 | H10 | 109.5° | 109.5° |
| H11 | C | H12 | 109.5° | 109.5° |
| H11 | C | H13 | 109.4° | 109.4° |
| H12 | C | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C8 | C7 | C6 | H4 | 180.0° | 179.8° |
| C7 | C8 | C9 | C10 | 0.3° | 0.0° |
| C8 | C7 | C6 | C3 | 179.3° | 179.7° |
| C8 | C7 | C6 | C5 | 0.1° | 0.3° |
| C7 | C8 | C9 | H6 | 179.7° | 180.0° |
| C9 | C8 | C7 | C6 | 0.1° | 0.0° |
| C8 | C9 | C10 | H6 | 180.0° | 180.0° |
| C8 | C9 | C10 | C5 | 0.3° | 0.2° |
| C9 | C8 | C7 | H4 | 179.9° | 179.8° |
| C8 | C9 | C10 | H14 | 179.7° | 180.0° |
| C7 | C6 | C3 | C2 | 1.3° | 0.0° |
| C7 | C6 | C3 | C5 | 179.4° | 180.0° |
| C7 | C6 | C3 | C4 | 179.8° | 180.0° |
| C7 | C6 | C5 | C10 | 0.1° | 0.5° |
| C7 | C6 | C5 | N | 179.8° | 180.0° |
| C6 | C7 | C8 | H5 | 179.9° | 180.0° |
| C3 | C2 | C1 | H9 | 120.1° | 120.0° |
| C3 | C2 | C1 | H10 | 120.1° | 120.0° |
| C2 | C3 | C6 | C4 | 178.5° | 180.0° |
| C2 | C3 | C6 | C5 | 178.2° | 180.0° |
| C3 | C2 | C1 | C | 162.6° | 175.0° |
| C2 | C3 | C4 | N | 178.2° | 180.0° |
| C3 | C2 | C1 | N1 | 44.9° | 65.0° |
| C3 | C2 | C1 | H7 | 76.2° | 54.9° |
| C2 | C3 | C4 | H8 | 1.8° | 0.0° |
| C3 | C2 | H9 | H10 | 119.6° | 120.0° |
| C1 | C2 | C3 | C6 | 121.9° | 85.0° |
| C1 | C2 | C3 | C4 | 59.8° | 95.0° |
| C2 | C1 | C | N1 | 121.4° | 120.0° |
| C2 | C1 | C | H7 | 120.9° | 120.1° |
| C2 | C1 | N1 | H7 | 121.2° | 120.0° |
| C2 | C1 | N1 | H1 | 180.0° | 179.9° |
| C2 | C1 | N1 | H2 | 60.0° | 56.1° |
| C1 | C2 | H9 | H10 | 119.7° | 120.0° |
| C2 | C1 | C | H11 | 180.0° | 59.9° |
| C2 | C1 | C | H12 | 60.0° | 180.0° |
| C2 | C1 | C | H13 | 60.0° | 60.0° |
| C9 | C10 | C5 | C6 | 0.1° | 0.4° |
| C9 | C10 | C5 | H14 | 180.0° | 179.8° |
| C9 | C10 | C5 | N | 179.5° | 179.8° |
| C10 | C9 | C8 | H5 | 179.7° | 180.0° |
| C3 | C6 | C5 | C10 | 179.4° | 179.5° |
| C3 | C6 | C5 | N | 0.2° | 0.0° |
| C6 | C3 | C4 | N | 0.3° | 0.0° |
| C3 | C6 | C7 | H4 | 0.7° | 0.1° |
| C6 | C3 | C4 | H8 | 179.7° | 179.9° |
| C6 | C3 | C2 | H9 | 1.8° | 35.0° |
| C6 | C3 | C2 | H10 | 117.9° | 155.0° |
| C5 | C6 | C3 | C4 | 0.3° | 0.0° |
| C6 | C5 | C10 | N | 179.6° | 179.3° |
| C6 | C5 | N | C4 | 0.0° | 0.0° |
| C5 | C6 | C7 | H4 | 179.9° | 180.0° |
| C6 | C5 | C10 | H14 | 179.9° | 179.8° |
| C6 | C5 | N | H15 | 180.0° | 179.9° |
| C3 | C4 | N | C5 | 0.2° | 0.0° |
| C3 | C4 | N | H8 | 180.0° | 179.9° |
| C4 | C3 | C2 | H9 | 179.9° | 145.0° |
| C4 | C3 | C2 | H10 | 60.3° | 25.0° |
| C3 | C4 | N | H15 | 179.8° | 179.9° |
| C10 | C5 | N | C4 | 179.6° | 179.4° |
| C5 | C10 | C9 | H6 | 179.8° | 179.8° |
| C10 | C5 | N | H15 | 0.4° | 0.7° |
| C5 | N | C4 | H15 | 180.0° | 179.9° |
| C5 | N | C4 | H8 | 179.8° | 179.9° |
| N | C5 | C10 | H14 | 0.5° | 0.4° |
| C | C1 | N1 | H7 | 118.1° | 120.0° |
| C | C1 | N1 | H1 | 59.3° | 60.0° |
| C | C1 | N1 | H2 | 60.7° | 64.0° |
| C | C1 | C2 | H9 | 77.3° | 65.0° |
| C | C1 | C2 | H10 | 42.5° | 55.0° |
| C1 | C | H11 | H12 | 120.0° | 120.1° |
| C1 | C | H11 | H13 | 120.0° | 120.0° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| C1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C1 | C2 | H9 | 165.0° | 55.0° |
| N1 | C1 | C2 | H10 | 75.2° | 175.0° |
| N1 | C1 | C | H11 | 58.6° | 60.1° |
| N1 | C1 | C | H12 | 178.6° | 60.0° |
| N1 | C1 | C | H13 | 61.4° | 180.0° |
| H1 | N1 | C1 | H7 | 58.8° | 60.0° |
| H2 | N1 | C1 | H7 | 178.8° | 176.0° |
| H4 | C7 | C8 | H5 | 0.1° | 0.2° |
| H5 | C8 | C9 | H6 | 0.3° | 0.0° |
| H6 | C9 | C10 | H14 | 0.2° | 0.0° |
| H7 | C1 | C2 | H9 | 43.9° | 174.9° |
| H7 | C1 | C2 | H10 | 163.7° | 65.1° |
| H7 | C1 | C | H11 | 59.2° | 180.0° |
| H7 | C1 | C | H12 | 60.9° | 59.9° |
| H7 | C1 | C | H13 | 179.1° | 60.1° |
| H8 | C4 | N | H15 | 0.2° | 0.2° |
| H11 | C | H12 | H13 | 120.0° | 119.9° |
