87V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C7 | doub | 1.40Å | 1.38Å | Aromatic |
| C3 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C9 | sing | 1.48Å | 1.45Å | |
| N14 | C11 | sing | 1.35Å | 1.37Å | |
| C6 | C9 | doub | 1.36Å | 1.38Å | Aromatic |
| C6 | C8 | sing | 1.42Å | 1.42Å | Aromatic |
| C9 | N13 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | C11 | sing | 1.47Å | 1.44Å | |
| C8 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | O15 | doub | 1.22Å | 1.22Å | |
| N13 | C10 | sing | 1.35Å | 1.36Å | Aromatic |
| C10 | C12 | sing | 1.51Å | 1.48Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| N13 | H10 | sing | 0.97Å | 1.00Å | |
| N14 | H11 | sing | 0.97Å | 1.00Å | |
| N14 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C4 | 119.9° | 120.2° |
| C2 | C1 | C3 | 120.1° | 120.3° |
| C2 | C1 | H4 | 120.0° | 119.8° |
| C1 | C2 | H5 | 120.1° | 119.9° |
| C2 | C4 | C7 | 120.5° | 119.8° |
| C2 | C4 | H1 | 119.8° | 120.1° |
| C4 | C2 | H5 | 120.1° | 119.9° |
| C1 | C3 | C5 | 119.9° | 120.1° |
| C3 | C1 | H4 | 119.9° | 119.9° |
| C1 | C3 | H6 | 120.1° | 120.0° |
| C4 | C7 | C5 | 119.3° | 119.7° |
| C4 | C7 | C9 | 119.9° | 120.1° |
| C7 | C4 | H1 | 119.8° | 120.1° |
| C3 | C5 | C7 | 120.4° | 119.8° |
| C3 | C5 | H2 | 119.8° | 120.1° |
| C5 | C3 | H6 | 120.0° | 119.9° |
| C5 | C7 | C9 | 120.9° | 120.1° |
| C7 | C5 | H2 | 119.8° | 120.1° |
| C7 | C9 | C6 | 130.7° | 125.8° |
| C7 | C9 | N13 | 123.6° | 125.8° |
| N14 | C11 | C8 | 112.2° | 120.0° |
| N14 | C11 | O15 | 124.1° | 120.0° |
| C11 | N14 | H11 | 120.0° | 119.9° |
| C11 | N14 | H12 | 120.0° | 120.0° |
| C9 | C6 | C8 | 109.1° | 107.1° |
| C6 | C9 | N13 | 105.8° | 108.4° |
| C9 | C6 | H3 | 125.5° | 126.4° |
| C6 | C8 | C11 | 126.7° | 126.5° |
| C6 | C8 | C10 | 106.3° | 106.9° |
| C8 | C6 | H3 | 125.4° | 126.4° |
| C9 | N13 | C10 | 111.5° | 109.3° |
| C9 | N13 | H10 | 124.3° | 125.3° |
| C11 | C8 | C10 | 127.0° | 126.6° |
| C8 | C11 | O15 | 123.7° | 120.0° |
| C8 | C10 | N13 | 107.3° | 108.3° |
| C8 | C10 | C12 | 133.2° | 125.8° |
| N13 | C10 | C12 | 119.5° | 125.9° |
| C10 | N13 | H10 | 124.2° | 125.4° |
| C10 | C12 | H7 | 109.5° | 109.5° |
| C10 | C12 | H8 | 109.5° | 109.5° |
| C10 | C12 | H9 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.5° |
| H7 | C12 | H9 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.4° |
| H11 | N14 | H12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C4 | H5 | 180.0° | 180.0° |
| C2 | C1 | C3 | H4 | 180.0° | 179.1° |
| C1 | C2 | C4 | C7 | 0.5° | 0.0° |
| C2 | C1 | C3 | C5 | 0.2° | 0.9° |
| C1 | C2 | C4 | H1 | 179.5° | 179.7° |
| C2 | C1 | C3 | H6 | 179.8° | 179.1° |
| C4 | C2 | C1 | C3 | 0.2° | 0.6° |
| C2 | C4 | C7 | H1 | 180.0° | 179.8° |
| C2 | C4 | C7 | C5 | 0.4° | 0.2° |
| C2 | C4 | C7 | C9 | 179.2° | 179.7° |
| C4 | C2 | C1 | H4 | 179.8° | 179.7° |
| C1 | C3 | C5 | H6 | 180.0° | 180.0° |
| C1 | C3 | C5 | C7 | 0.3° | 0.6° |
| C1 | C3 | C5 | H2 | 179.7° | 179.5° |
| C3 | C1 | C2 | H5 | 179.8° | 179.4° |
| C4 | C7 | C5 | C3 | 0.0° | 0.0° |
| C4 | C7 | C5 | C9 | 178.8° | 180.0° |
| C4 | C7 | C9 | C6 | 7.2° | 0.1° |
| C4 | C7 | C9 | N13 | 171.3° | 180.0° |
| C4 | C7 | C5 | H2 | 180.0° | 180.0° |
| C7 | C4 | C2 | H5 | 179.5° | 180.0° |
| C3 | C5 | C7 | H2 | 180.0° | 179.9° |
| C3 | C5 | C7 | C9 | 178.8° | 180.0° |
| C5 | C3 | C1 | H4 | 179.8° | 180.0° |
| C5 | C7 | C9 | C6 | 173.9° | 179.9° |
| C5 | C7 | C9 | N13 | 7.6° | 0.0° |
| C5 | C7 | C4 | H1 | 179.6° | 180.0° |
| C7 | C5 | C3 | H6 | 179.7° | 179.4° |
| C7 | C9 | C6 | N13 | 178.7° | 179.9° |
| C7 | C9 | C6 | C8 | 178.8° | 179.9° |
| C7 | C9 | N13 | C10 | 178.7° | 179.9° |
| C9 | C7 | C4 | H1 | 0.8° | 0.0° |
| C9 | C7 | C5 | H2 | 1.2° | 0.1° |
| C7 | C9 | C6 | H3 | 1.1° | 0.4° |
| C7 | C9 | N13 | H10 | 1.3° | 0.0° |
| N14 | C11 | C8 | C6 | 13.0° | 0.1° |
| N14 | C11 | C8 | O15 | 179.9° | 180.0° |
| N14 | C11 | C8 | C10 | 165.9° | 179.9° |
| C11 | N14 | H11 | H12 | 180.0° | 179.9° |
| C9 | C6 | C8 | H3 | 180.0° | 179.7° |
| C9 | C6 | C8 | C11 | 179.4° | 180.0° |
| C9 | C6 | C8 | C10 | 0.4° | 0.0° |
| C6 | C9 | N13 | C10 | 0.2° | 0.0° |
| C6 | C9 | N13 | H10 | 179.9° | 179.9° |
| C8 | C6 | C9 | N13 | 0.1° | 0.0° |
| C6 | C8 | C11 | C10 | 178.9° | 180.0° |
| C6 | C8 | C11 | O15 | 167.1° | 179.9° |
| C6 | C8 | C10 | N13 | 0.4° | 0.0° |
| C6 | C8 | C10 | C12 | 179.8° | 180.0° |
| C9 | N13 | C10 | C8 | 0.4° | 0.0° |
| C9 | N13 | C10 | H10 | 180.0° | 180.0° |
| C9 | N13 | C10 | C12 | 179.8° | 180.0° |
| N13 | C9 | C6 | H3 | 179.9° | 179.7° |
| C11 | C8 | C10 | N13 | 179.5° | 180.0° |
| C11 | C8 | C10 | C12 | 0.7° | 0.0° |
| C11 | C8 | C6 | H3 | 0.5° | 0.3° |
| C8 | C11 | N14 | H11 | 179.9° | 0.1° |
| C8 | C11 | N14 | H12 | 0.2° | 180.0° |
| C10 | C8 | C11 | O15 | 14.0° | 0.1° |
| C8 | C10 | N13 | C12 | 179.8° | 180.0° |
| C10 | C8 | C6 | H3 | 179.6° | 179.7° |
| C8 | C10 | C12 | H7 | 90.1° | 90.1° |
| C8 | C10 | C12 | H8 | 149.9° | 150.0° |
| C8 | C10 | C12 | H9 | 29.9° | 30.0° |
| C8 | C10 | N13 | H10 | 179.6° | 180.0° |
| O15 | C11 | N14 | H11 | 0.0° | 179.9° |
| O15 | C11 | N14 | H12 | 180.0° | 0.0° |
| N13 | C10 | C12 | H7 | 90.1° | 89.9° |
| N13 | C10 | C12 | H8 | 29.9° | 30.0° |
| N13 | C10 | C12 | H9 | 149.9° | 150.0° |
| C10 | C12 | H7 | H8 | 120.0° | 120.0° |
| C10 | C12 | H7 | H9 | 120.0° | 120.0° |
| C10 | C12 | H8 | H9 | 120.0° | 120.0° |
| C12 | C10 | N13 | H10 | 0.2° | 0.0° |
| H1 | C4 | C2 | H5 | 0.5° | 0.3° |
| H2 | C5 | C3 | H6 | 0.4° | 0.5° |
| H4 | C1 | C2 | H5 | 0.2° | 0.3° |
| H4 | C1 | C3 | H6 | 0.2° | 0.0° |
| H7 | C12 | H8 | H9 | 120.0° | 120.0° |
