NV6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.35Å | 1.36Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| C1 | N2 | sing | 1.35Å | 1.38Å | |
| N2 | C2 | sing | 1.47Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C2 | C10 | sing | 1.51Å | 1.54Å | |
| C9 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| O3 | C10 | doub | 1.21Å | 1.25Å | |
| C10 | O4 | sing | 1.34Å | 1.24Å | |
| C8 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | O2 | sing | 1.36Å | 1.38Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| O4 | H7 | sing | 0.97Å | 0.95Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | O1 | 115.7° | 120.0° |
| N1 | C1 | N2 | 120.1° | 120.0° |
| C1 | N1 | H5 | 120.0° | 120.0° |
| C1 | N1 | H6 | 120.0° | 120.0° |
| O1 | C1 | N2 | 123.5° | 120.0° |
| C1 | N2 | C2 | 133.5° | 120.0° |
| C1 | N2 | H12 | 113.3° | 120.0° |
| N2 | C2 | C3 | 114.3° | 109.5° |
| N2 | C2 | C10 | 112.0° | 109.5° |
| N2 | C2 | H2 | 108.7° | 109.5° |
| C2 | N2 | H12 | 113.3° | 120.0° |
| C2 | C3 | C4 | 122.3° | 109.5° |
| C3 | C2 | C10 | 105.2° | 109.5° |
| C3 | C2 | H2 | 108.0° | 109.5° |
| C2 | C3 | H3 | 106.2° | 109.5° |
| C2 | C3 | H4 | 106.2° | 109.5° |
| C3 | C4 | C9 | 121.1° | 119.9° |
| C3 | C4 | C5 | 124.1° | 120.0° |
| C4 | C3 | H3 | 106.2° | 109.4° |
| C4 | C3 | H4 | 106.1° | 109.4° |
| C2 | C10 | O3 | 117.1° | 120.0° |
| C2 | C10 | O4 | 117.2° | 120.0° |
| C10 | C2 | H2 | 108.3° | 109.5° |
| C4 | C9 | C8 | 123.8° | 120.1° |
| C9 | C4 | C5 | 114.6° | 120.1° |
| C4 | C9 | H10 | 118.1° | 120.0° |
| C9 | C8 | C7 | 120.0° | 120.0° |
| C8 | C9 | H10 | 118.1° | 120.0° |
| C9 | C8 | H11 | 120.0° | 120.0° |
| C4 | C5 | C6 | 122.3° | 120.0° |
| C4 | C5 | H8 | 118.8° | 120.0° |
| O3 | C10 | O4 | 125.6° | 119.9° |
| C10 | O4 | H7 | 109.5° | 117.0° |
| C8 | C7 | C6 | 117.6° | 119.9° |
| C8 | C7 | O2 | 122.2° | 120.1° |
| C7 | C8 | H11 | 120.0° | 120.0° |
| C5 | C6 | C7 | 121.6° | 120.0° |
| C6 | C5 | H8 | 118.8° | 120.0° |
| C5 | C6 | H9 | 119.2° | 120.0° |
| C6 | C7 | O2 | 120.2° | 120.0° |
| C7 | C6 | H9 | 119.2° | 120.1° |
| C7 | O2 | H1 | 109.5° | 114.0° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H5 | N1 | H6 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | O1 | N2 | 170.4° | 179.9° |
| N1 | C1 | N2 | C2 | 161.0° | 180.0° |
| C1 | N1 | H5 | H6 | 180.0° | 179.8° |
| N1 | C1 | N2 | H12 | 19.0° | 0.0° |
| O1 | C1 | N2 | C2 | 29.0° | 0.1° |
| O1 | C1 | N1 | H5 | 0.0° | 0.1° |
| O1 | C1 | N1 | H6 | 180.0° | 180.0° |
| O1 | C1 | N2 | H12 | 151.0° | 179.9° |
| C1 | N2 | C2 | H12 | 180.0° | 180.0° |
| C1 | N2 | C2 | C3 | 130.3° | 155.0° |
| C1 | N2 | C2 | C10 | 110.1° | 84.9° |
| C1 | N2 | C2 | H2 | 9.5° | 35.0° |
| N2 | C1 | N1 | H5 | 170.8° | 180.0° |
| N2 | C1 | N1 | H6 | 9.2° | 0.1° |
| N2 | C2 | C3 | C10 | 123.3° | 120.0° |
| N2 | C2 | C3 | H2 | 121.2° | 120.0° |
| N2 | C2 | C3 | C4 | 134.5° | 65.0° |
| N2 | C2 | C10 | H2 | 119.9° | 120.0° |
| N2 | C2 | C10 | O3 | 68.1° | 0.0° |
| N2 | C2 | C10 | O4 | 115.2° | 180.0° |
| N2 | C2 | C3 | H3 | 103.8° | 55.0° |
| N2 | C2 | C3 | H4 | 12.7° | 175.1° |
| C2 | C3 | C4 | H3 | 121.8° | 120.0° |
| C2 | C3 | C4 | H4 | 121.8° | 120.0° |
| C3 | C2 | C10 | H2 | 115.3° | 120.0° |
| C2 | C3 | C4 | C9 | 137.4° | 90.2° |
| C2 | C3 | C4 | C5 | 49.2° | 89.9° |
| C3 | C2 | C10 | O3 | 56.6° | 120.0° |
| C3 | C2 | C10 | O4 | 120.1° | 60.0° |
| C2 | C3 | H3 | H4 | 114.2° | 120.1° |
| C3 | C2 | N2 | H12 | 49.6° | 25.0° |
| C4 | C3 | C2 | C10 | 11.2° | 175.0° |
| C3 | C4 | C9 | C5 | 174.0° | 179.8° |
| C3 | C4 | C9 | C8 | 176.6° | 179.7° |
| C3 | C4 | C5 | C6 | 176.0° | 180.0° |
| C4 | C3 | C2 | H2 | 104.4° | 55.0° |
| C4 | C3 | H3 | H4 | 114.2° | 119.9° |
| C3 | C4 | C5 | H8 | 4.1° | 0.1° |
| C3 | C4 | C9 | H10 | 3.4° | 0.1° |
| C2 | C10 | O3 | O4 | 176.4° | 179.9° |
| C10 | C2 | C3 | H3 | 132.9° | 65.0° |
| C10 | C2 | C3 | H4 | 110.6° | 55.0° |
| C2 | C10 | O4 | H7 | 176.4° | 180.0° |
| C10 | C2 | N2 | H12 | 69.9° | 95.0° |
| C4 | C9 | C8 | H10 | 180.0° | 179.8° |
| C4 | C9 | C8 | C7 | 1.7° | 0.5° |
| C9 | C4 | C5 | C6 | 2.2° | 0.2° |
| C9 | C4 | C3 | H3 | 100.8° | 149.8° |
| C9 | C4 | C3 | H4 | 15.6° | 29.8° |
| C9 | C4 | C5 | H8 | 177.9° | 179.8° |
| C4 | C9 | C8 | H11 | 178.3° | 180.0° |
| C8 | C9 | C4 | C5 | 2.6° | 0.5° |
| C9 | C8 | C7 | H11 | 180.0° | 179.5° |
| C9 | C8 | C7 | C6 | 0.1° | 0.2° |
| C9 | C8 | C7 | O2 | 179.4° | 179.8° |
| C4 | C5 | C6 | H8 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.8° | 0.0° |
| C5 | C4 | C3 | H3 | 72.6° | 30.0° |
| C5 | C4 | C3 | H4 | 170.9° | 150.0° |
| C4 | C5 | C6 | H9 | 179.2° | 180.0° |
| C5 | C4 | C9 | H10 | 177.4° | 179.7° |
| O3 | C10 | C2 | H2 | 172.0° | 120.0° |
| O3 | C10 | O4 | H7 | 0.0° | 0.0° |
| O4 | C10 | C2 | H2 | 4.7° | 60.0° |
| C8 | C7 | C6 | C5 | 0.3° | 0.1° |
| C8 | C7 | C6 | O2 | 179.4° | 180.0° |
| C8 | C7 | O2 | H1 | 180.0° | 90.0° |
| C8 | C7 | C6 | H9 | 179.7° | 180.0° |
| C7 | C8 | C9 | H10 | 178.4° | 179.7° |
| C5 | C6 | C7 | H9 | 180.0° | 180.0° |
| C5 | C6 | C7 | O2 | 179.0° | 180.0° |
| C6 | C7 | O2 | H1 | 0.7° | 90.0° |
| C7 | C6 | C5 | H8 | 179.2° | 180.0° |
| C6 | C7 | C8 | H11 | 179.9° | 179.7° |
| O2 | C7 | C6 | H9 | 1.0° | 0.0° |
| O2 | C7 | C8 | H11 | 0.6° | 0.3° |
| H2 | C2 | C3 | H3 | 17.4° | 175.0° |
| H2 | C2 | C3 | H4 | 133.9° | 65.0° |
| H2 | C2 | N2 | H12 | 170.4° | 145.0° |
| H8 | C5 | C6 | H9 | 0.8° | 0.0° |
| H10 | C9 | C8 | H11 | 1.6° | 0.2° |
