V16
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C8 | doub | 1.29Å | 1.27Å | |
| N1 | O | sing | 1.42Å | 1.39Å | |
| C8 | N | sing | 1.38Å | 1.35Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| N | C7 | sing | 1.40Å | 1.41Å | |
| C7 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C4 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.49Å | |
| C9 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C | C1 | sing | 1.53Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| O | H4 | sing | 0.97Å | 0.95Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.08Å | 1.08Å | |
| C6 | H16 | sing | 1.08Å | 1.08Å | |
| C8 | H17 | sing | 1.08Å | 1.08Å | |
| N | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N1 | O | 110.3° | 120.0° |
| N1 | C8 | N | 129.6° | 120.0° |
| N1 | C8 | H17 | 115.2° | 120.0° |
| N1 | O | H4 | 109.5° | 114.0° |
| C8 | N | C7 | 125.2° | 120.0° |
| N | C8 | H17 | 115.2° | 120.0° |
| C8 | N | H19 | 117.4° | 120.0° |
| C5 | C6 | C7 | 120.2° | 119.9° |
| C6 | C5 | C4 | 121.0° | 120.1° |
| C6 | C5 | H15 | 119.5° | 120.0° |
| C5 | C6 | H16 | 119.9° | 120.0° |
| C6 | C7 | N | 122.2° | 120.0° |
| C6 | C7 | C9 | 120.0° | 119.9° |
| C7 | C6 | H16 | 119.9° | 120.1° |
| C5 | C4 | C3 | 120.9° | 119.9° |
| C5 | C4 | C11 | 118.2° | 120.2° |
| C4 | C5 | H15 | 119.5° | 119.9° |
| N | C7 | C9 | 117.6° | 120.1° |
| C7 | N | H19 | 117.4° | 120.0° |
| C7 | C9 | C11 | 118.3° | 119.9° |
| C7 | C9 | C10 | 121.4° | 120.0° |
| C3 | C4 | C11 | 120.7° | 119.9° |
| C4 | C3 | C2 | 112.3° | 109.5° |
| C4 | C3 | H13 | 108.8° | 109.4° |
| C4 | C3 | H14 | 108.8° | 109.5° |
| C4 | C11 | C9 | 122.3° | 120.1° |
| C4 | C11 | H10 | 118.8° | 120.0° |
| C3 | C2 | C1 | 113.7° | 109.5° |
| C3 | C2 | H11 | 108.4° | 109.5° |
| C3 | C2 | H12 | 108.4° | 109.5° |
| C2 | C3 | H13 | 108.8° | 109.5° |
| C2 | C3 | H14 | 108.8° | 109.5° |
| C11 | C9 | C10 | 120.3° | 120.1° |
| C9 | C11 | H10 | 118.8° | 119.9° |
| C9 | C10 | H7 | 109.5° | 109.4° |
| C9 | C10 | H8 | 109.5° | 109.5° |
| C9 | C10 | H9 | 109.5° | 109.5° |
| C | C1 | C2 | 112.2° | 109.5° |
| C1 | C | H1 | 109.5° | 109.4° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.5° |
| C | C1 | H5 | 108.8° | 109.5° |
| C | C1 | H6 | 108.8° | 109.5° |
| C2 | C1 | H5 | 108.8° | 109.5° |
| C2 | C1 | H6 | 108.8° | 109.4° |
| C1 | C2 | H11 | 108.4° | 109.5° |
| C1 | C2 | H12 | 108.4° | 109.4° |
| H1 | C | H2 | 109.4° | 109.5° |
| H1 | C | H3 | 109.5° | 109.4° |
| H2 | C | H3 | 109.4° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.4° |
| H7 | C10 | H9 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H11 | C2 | H12 | 109.5° | 109.5° |
| H13 | C3 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C8 | N | H17 | 180.0° | 180.0° |
| N1 | C8 | N | C7 | 179.1° | 174.8° |
| C8 | N1 | O | H4 | 180.0° | 175.0° |
| N1 | C8 | N | H19 | 1.0° | 5.4° |
| O | N1 | C8 | N | 6.0° | 5.1° |
| O | N1 | C8 | H17 | 174.1° | 174.9° |
| C8 | N | C7 | C6 | 8.2° | 5.7° |
| C8 | N | C7 | H19 | 180.0° | 179.7° |
| C8 | N | C7 | C9 | 167.4° | 174.6° |
| C5 | C6 | C7 | H16 | 180.0° | 179.9° |
| C6 | C5 | C4 | H15 | 180.0° | 180.0° |
| C5 | C6 | C7 | N | 177.2° | 180.0° |
| C5 | C6 | C7 | C9 | 1.6° | 0.3° |
| C6 | C5 | C4 | C3 | 172.9° | 180.0° |
| C6 | C5 | C4 | C11 | 1.6° | 0.0° |
| C7 | C6 | C5 | C4 | 0.2° | 0.0° |
| C6 | C7 | N | C9 | 175.7° | 179.7° |
| C6 | C7 | C9 | C11 | 1.1° | 0.6° |
| C6 | C7 | C9 | C10 | 178.5° | 179.7° |
| C7 | C6 | C5 | H15 | 179.8° | 179.9° |
| C6 | C7 | N | H19 | 171.8° | 174.0° |
| C5 | C4 | C3 | C11 | 174.3° | 180.0° |
| C5 | C4 | C3 | C2 | 120.1° | 90.0° |
| C5 | C4 | C11 | C9 | 2.1° | 0.3° |
| C5 | C4 | C11 | H10 | 177.9° | 180.0° |
| C5 | C4 | C3 | H13 | 119.5° | 150.0° |
| C5 | C4 | C3 | H14 | 0.3° | 30.0° |
| C4 | C5 | C6 | H16 | 179.7° | 179.9° |
| N | C7 | C9 | C11 | 176.9° | 179.7° |
| N | C7 | C9 | C10 | 2.8° | 0.0° |
| N | C7 | C6 | H16 | 2.8° | 0.1° |
| C7 | N | C8 | H17 | 1.0° | 5.1° |
| C7 | C9 | C11 | C4 | 0.8° | 0.6° |
| C7 | C9 | C11 | C10 | 179.6° | 179.7° |
| C7 | C9 | C10 | H7 | 90.2° | 90.1° |
| C7 | C9 | C10 | H8 | 149.8° | 150.0° |
| C7 | C9 | C10 | H9 | 29.8° | 30.0° |
| C7 | C9 | C11 | H10 | 179.2° | 179.7° |
| C9 | C7 | C6 | H16 | 178.4° | 179.8° |
| C9 | C7 | N | H19 | 12.6° | 5.7° |
| C4 | C3 | C2 | H13 | 120.4° | 120.0° |
| C4 | C3 | C2 | H14 | 120.4° | 120.0° |
| C3 | C4 | C11 | C9 | 172.3° | 179.7° |
| C4 | C3 | C2 | C1 | 162.7° | 180.0° |
| C3 | C4 | C11 | H10 | 7.6° | 0.0° |
| C4 | C3 | C2 | H11 | 76.6° | 60.0° |
| C4 | C3 | C2 | H12 | 42.1° | 60.0° |
| C4 | C3 | H13 | H14 | 118.7° | 120.0° |
| C3 | C4 | C5 | H15 | 7.1° | 0.1° |
| C11 | C4 | C3 | C2 | 65.6° | 90.0° |
| C4 | C11 | C9 | H10 | 180.0° | 179.7° |
| C4 | C11 | C9 | C10 | 179.6° | 179.8° |
| C11 | C4 | C3 | H13 | 54.9° | 30.0° |
| C11 | C4 | C3 | H14 | 174.0° | 150.0° |
| C11 | C4 | C5 | H15 | 178.4° | 180.0° |
| C3 | C2 | C1 | C | 33.2° | 180.0° |
| C3 | C2 | C1 | H11 | 120.6° | 120.0° |
| C3 | C2 | C1 | H12 | 120.6° | 120.0° |
| C3 | C2 | C1 | H5 | 87.2° | 60.0° |
| C3 | C2 | C1 | H6 | 153.6° | 60.0° |
| C3 | C2 | H11 | H12 | 118.1° | 120.0° |
| C2 | C3 | H13 | H14 | 118.7° | 120.0° |
| C11 | C9 | C10 | H7 | 90.2° | 90.3° |
| C11 | C9 | C10 | H8 | 29.8° | 29.7° |
| C11 | C9 | C10 | H9 | 149.8° | 149.7° |
| C9 | C10 | H7 | H8 | 120.0° | 120.0° |
| C9 | C10 | H7 | H9 | 120.0° | 120.0° |
| C9 | C10 | H8 | H9 | 120.0° | 120.0° |
| C10 | C9 | C11 | H10 | 0.4° | 0.0° |
| C | C1 | C2 | H5 | 120.4° | 120.1° |
| C | C1 | C2 | H6 | 120.4° | 120.0° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C | C1 | H5 | H6 | 118.7° | 120.0° |
| C | C1 | C2 | H11 | 87.4° | 59.9° |
| C | C1 | C2 | H12 | 153.8° | 60.0° |
| C2 | C1 | C | H1 | 180.0° | 60.1° |
| C2 | C1 | C | H2 | 60.0° | 60.0° |
| C2 | C1 | C | H3 | 60.0° | 180.0° |
| C2 | C1 | H5 | H6 | 118.8° | 120.0° |
| C1 | C2 | H11 | H12 | 118.0° | 120.0° |
| C1 | C2 | C3 | H13 | 42.3° | 60.0° |
| C1 | C2 | C3 | H14 | 76.8° | 60.0° |
| H1 | C | H2 | H3 | 120.0° | 120.0° |
| H1 | C | C1 | H5 | 59.6° | 60.0° |
| H1 | C | C1 | H6 | 59.6° | 180.0° |
| H2 | C | C1 | H5 | 60.4° | 180.0° |
| H2 | C | C1 | H6 | 179.6° | 60.0° |
| H3 | C | C1 | H5 | 179.6° | 60.0° |
| H3 | C | C1 | H6 | 60.5° | 60.0° |
| H5 | C1 | C2 | H11 | 152.2° | NaN° |
| H5 | C1 | C2 | H12 | 33.5° | 60.0° |
| H6 | C1 | C2 | H11 | 33.0° | 60.0° |
| H6 | C1 | C2 | H12 | 85.7° | 180.0° |
| H7 | C10 | H8 | H9 | 120.0° | 120.1° |
| H11 | C2 | C3 | H13 | 162.9° | 180.0° |
| H11 | C2 | C3 | H14 | 43.8° | 60.0° |
| H12 | C2 | C3 | H13 | 78.3° | 60.0° |
| H12 | C2 | C3 | H14 | 162.5° | 180.0° |
| H15 | C5 | C6 | H16 | 0.3° | 0.0° |
| H17 | C8 | N | H19 | 179.0° | 174.6° |
