V15
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.36Å | 1.37Å | |
| N1 | C3 | sing | 1.35Å | 1.36Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | N6 | doub | 1.32Å | 1.31Å | |
| C2 | N14 | sing | 1.37Å | 1.38Å | |
| C3 | C4 | sing | 1.41Å | 1.42Å | |
| C3 | O15 | doub | 1.22Å | 1.22Å | |
| C4 | C5 | doub | 1.36Å | 1.37Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | N6 | sing | 1.33Å | 1.34Å | |
| C5 | C15 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| N14 | H142 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C7 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C3 | 119.1° | 119.8° |
| C2 | N1 | H1 | 120.5° | 120.1° |
| N1 | C2 | N6 | 120.6° | 121.2° |
| N1 | C2 | N14 | 120.6° | 119.4° |
| C3 | N1 | H1 | 120.4° | 120.1° |
| N1 | C3 | C4 | 119.6° | 118.7° |
| N1 | C3 | O15 | 120.1° | 120.6° |
| N6 | C2 | N14 | 118.7° | 119.4° |
| C2 | N6 | C5 | 123.2° | 121.3° |
| C2 | N14 | H141 | 109.5° | 120.0° |
| C2 | N14 | H142 | 109.5° | 119.9° |
| C4 | C3 | O15 | 120.3° | 120.7° |
| C3 | C4 | C5 | 118.5° | 118.9° |
| C3 | C4 | H4 | 120.7° | 120.5° |
| C5 | C4 | H4 | 120.7° | 120.6° |
| C4 | C5 | N6 | 119.0° | 120.1° |
| C4 | C5 | C15 | 124.1° | 120.0° |
| N6 | C5 | C15 | 116.9° | 119.9° |
| C5 | C15 | C16 | 118.4° | 109.5° |
| C5 | C15 | H151 | 106.6° | 109.5° |
| C5 | C15 | H152 | 104.6° | 109.4° |
| C9 | C8 | C7 | 120.4° | 120.0° |
| C9 | C8 | H8 | 119.8° | 120.1° |
| C8 | C9 | C10 | 119.6° | 120.1° |
| C8 | C9 | H9 | 120.2° | 120.0° |
| C7 | C8 | H8 | 119.8° | 119.9° |
| C8 | C7 | C12 | 119.7° | 120.0° |
| C8 | C7 | C16 | 121.9° | 120.0° |
| C10 | C9 | H9 | 120.2° | 120.0° |
| C9 | C10 | C11 | 120.3° | 120.0° |
| C9 | C10 | H10 | 119.8° | 120.0° |
| C11 | C10 | H10 | 119.8° | 120.0° |
| C10 | C11 | C12 | 119.9° | 120.0° |
| C10 | C11 | H11 | 120.1° | 120.0° |
| C12 | C11 | H11 | 120.0° | 120.1° |
| C11 | C12 | C7 | 120.0° | 120.1° |
| C11 | C12 | H12 | 120.0° | 120.0° |
| C7 | C12 | H12 | 120.0° | 120.0° |
| C12 | C7 | C16 | 118.4° | 120.0° |
| H141 | N14 | H142 | 109.5° | 120.1° |
| C16 | C15 | H151 | 106.6° | 109.5° |
| C16 | C15 | H152 | 104.5° | 109.5° |
| C15 | C16 | C7 | 111.4° | 109.5° |
| C15 | C16 | H161 | 108.9° | 109.5° |
| C15 | C16 | H162 | 108.4° | 109.5° |
| H151 | C15 | H152 | 116.8° | 109.4° |
| C7 | C16 | H161 | 108.8° | 109.5° |
| C7 | C16 | H162 | 108.4° | 109.5° |
| H161 | C16 | H162 | 110.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C3 | H1 | 180.0° | 179.7° |
| N1 | C2 | N6 | N14 | 177.7° | 179.9° |
| C2 | N1 | C3 | C4 | 1.7° | 0.0° |
| C2 | N1 | C3 | O15 | 178.6° | 179.9° |
| N1 | C2 | N6 | C5 | 1.4° | 0.0° |
| N1 | C2 | N14 | H141 | 56.5° | 0.1° |
| N1 | C2 | N14 | H142 | 63.5° | 180.0° |
| C3 | N1 | C2 | N6 | 0.6° | 0.0° |
| C3 | N1 | C2 | N14 | 177.0° | 180.0° |
| N1 | C3 | C4 | O15 | 179.7° | 180.0° |
| N1 | C3 | C4 | C5 | 0.9° | 0.0° |
| N1 | C3 | C4 | H4 | 179.1° | 180.0° |
| H1 | N1 | C2 | N6 | 179.3° | 179.7° |
| H1 | N1 | C2 | N14 | 3.1° | 0.3° |
| H1 | N1 | C3 | C4 | 178.2° | 179.7° |
| H1 | N1 | C3 | O15 | 1.4° | 0.3° |
| C2 | N6 | C5 | C4 | 2.2° | 0.0° |
| C2 | N6 | C5 | C15 | 178.8° | 180.0° |
| N6 | C2 | N14 | H141 | 125.8° | 180.0° |
| N6 | C2 | N14 | H142 | 114.1° | 0.0° |
| N14 | C2 | N6 | C5 | 179.1° | 179.9° |
| C2 | N14 | H141 | H142 | 120.0° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | N6 | 1.0° | 0.0° |
| C3 | C4 | C5 | C15 | 179.9° | 180.0° |
| O15 | C3 | C4 | C5 | 179.4° | 180.0° |
| O15 | C3 | C4 | H4 | 0.6° | 0.0° |
| C4 | C5 | N6 | C15 | 179.0° | 180.0° |
| C4 | C5 | C15 | C16 | 0.9° | 95.0° |
| C4 | C5 | C15 | H151 | 120.9° | 145.0° |
| C4 | C5 | C15 | H152 | 114.8° | 25.0° |
| H4 | C4 | C5 | N6 | 179.0° | 180.0° |
| H4 | C4 | C5 | C15 | 0.1° | 0.1° |
| N6 | C5 | C15 | C16 | 179.8° | 85.0° |
| N6 | C5 | C15 | H151 | 60.2° | 35.0° |
| N6 | C5 | C15 | H152 | 64.1° | 155.0° |
| C5 | C15 | C16 | H151 | 120.0° | 120.1° |
| C5 | C15 | C16 | H152 | 115.8° | 120.0° |
| C5 | C15 | H151 | H152 | 116.4° | 120.0° |
| C5 | C15 | C16 | C7 | 81.1° | 180.0° |
| C5 | C15 | C16 | H161 | 158.9° | 59.9° |
| C5 | C15 | C16 | H162 | 38.1° | 60.0° |
| C9 | C8 | C7 | H8 | 180.0° | 179.7° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.4° | 0.0° |
| C8 | C9 | C10 | H10 | 179.5° | 179.9° |
| C9 | C8 | C7 | C12 | 1.5° | 0.0° |
| C9 | C8 | C7 | C16 | 179.5° | 180.0° |
| C7 | C8 | C9 | C10 | 1.1° | 0.0° |
| C7 | C8 | C9 | H9 | 179.0° | 179.9° |
| C8 | C7 | C12 | C11 | 1.2° | 0.0° |
| C8 | C7 | C12 | C16 | 179.1° | 180.0° |
| C8 | C7 | C12 | H12 | 178.8° | 180.0° |
| C8 | C7 | C16 | C15 | 57.9° | 90.0° |
| C8 | C7 | C16 | H161 | 62.1° | 30.0° |
| C8 | C7 | C16 | H162 | 177.2° | 150.0° |
| H8 | C8 | C9 | C10 | 178.9° | 179.7° |
| H8 | C8 | C9 | H9 | 1.1° | 0.4° |
| H8 | C8 | C7 | C12 | 178.5° | 179.7° |
| H8 | C8 | C7 | C16 | 0.6° | 0.3° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.2° | 0.0° |
| C9 | C10 | C11 | H11 | 179.8° | 180.0° |
| H9 | C9 | C10 | C11 | 179.6° | 179.9° |
| H9 | C9 | C10 | H10 | 0.4° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C7 | 0.6° | 0.0° |
| C10 | C11 | C12 | H12 | 179.4° | 180.0° |
| H10 | C10 | C11 | C12 | 179.8° | 179.9° |
| H10 | C10 | C11 | H11 | 0.2° | 0.0° |
| C11 | C12 | C7 | H12 | 180.0° | 180.0° |
| C11 | C12 | C7 | C16 | 179.7° | 180.0° |
| H11 | C11 | C12 | C7 | 179.4° | 180.0° |
| H11 | C11 | C12 | H12 | 0.6° | 0.0° |
| C12 | C7 | C16 | C15 | 123.0° | 90.0° |
| C12 | C7 | C16 | H161 | 117.0° | 150.0° |
| C12 | C7 | C16 | H162 | 3.8° | 30.0° |
| H12 | C12 | C7 | C16 | 0.3° | 0.0° |
| C16 | C15 | H151 | H152 | 116.3° | 120.0° |
| C15 | C16 | C7 | H161 | 120.0° | 120.0° |
| C15 | C16 | C7 | H162 | 119.2° | 120.0° |
| C15 | C16 | H161 | H162 | 119.2° | 120.0° |
| H151 | C15 | C16 | C7 | 38.9° | 60.0° |
| H151 | C15 | C16 | H161 | 81.1° | 180.0° |
| H151 | C15 | C16 | H162 | 158.1° | 60.0° |
| H152 | C15 | C16 | C7 | 163.1° | 60.0° |
| H152 | C15 | C16 | H161 | 43.1° | 60.0° |
| H152 | C15 | C16 | H162 | 77.7° | 180.0° |
| C7 | C16 | H161 | H162 | 119.2° | 120.0° |
