NQ6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | N6 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| N6 | C1 | doub | 1.32Å | 1.35Å | Aromatic |
| O12 | C11 | doub | 1.21Å | 1.25Å | |
| O9 | C7 | doub | 1.21Å | 1.22Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | N1 | sing | 1.39Å | 1.35Å | |
| C11 | O14 | sing | 1.34Å | 1.25Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C7 | N1 | sing | 1.35Å | 1.33Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| N15 | C10 | sing | 1.47Å | 1.49Å | |
| C10 | C8 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N15 | H9 | sing | 1.01Å | 1.00Å | |
| N15 | H10 | sing | 1.01Å | 1.00Å | |
| O14 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | N6 | 120.5° | 120.9° |
| C5 | C4 | C3 | 119.0° | 119.3° |
| C5 | C4 | H1 | 120.5° | 120.4° |
| C4 | C5 | H2 | 119.8° | 119.5° |
| C5 | N6 | C1 | 121.4° | 121.6° |
| N6 | C5 | H2 | 119.7° | 119.6° |
| C4 | C3 | C2 | 119.4° | 118.5° |
| C3 | C4 | H1 | 120.5° | 120.3° |
| C4 | C3 | H5 | 120.3° | 120.8° |
| N6 | C1 | C2 | 120.1° | 120.6° |
| N6 | C1 | N1 | 121.2° | 119.7° |
| O12 | C11 | O14 | 122.7° | 120.0° |
| O12 | C11 | C10 | 118.6° | 120.0° |
| O9 | C7 | N1 | 123.6° | 120.1° |
| O9 | C7 | C8 | 121.7° | 120.0° |
| C3 | C2 | C1 | 119.5° | 119.1° |
| C3 | C2 | H4 | 120.2° | 120.5° |
| C2 | C3 | H5 | 120.3° | 120.8° |
| C2 | C1 | N1 | 118.7° | 119.6° |
| C1 | C2 | H4 | 120.3° | 120.4° |
| C1 | N1 | C7 | 124.0° | 119.9° |
| C1 | N1 | H8 | 118.0° | 120.0° |
| O14 | C11 | C10 | 118.7° | 120.0° |
| C11 | O14 | H12 | 109.5° | 117.0° |
| C11 | C10 | N15 | 112.0° | 109.4° |
| C11 | C10 | C8 | 111.0° | 109.5° |
| C11 | C10 | H3 | 107.6° | 109.5° |
| N1 | C7 | C8 | 114.7° | 120.0° |
| C7 | N1 | H8 | 118.0° | 120.1° |
| C7 | C8 | C10 | 113.4° | 109.5° |
| C7 | C8 | H6 | 108.5° | 109.5° |
| C7 | C8 | H7 | 108.5° | 109.5° |
| N15 | C10 | C8 | 111.0° | 109.5° |
| N15 | C10 | H3 | 107.7° | 109.4° |
| C10 | N15 | H9 | 109.5° | 111.1° |
| C10 | N15 | H10 | 109.5° | 111.0° |
| C8 | C10 | H3 | 107.3° | 109.5° |
| C10 | C8 | H6 | 108.5° | 109.5° |
| C10 | C8 | H7 | 108.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H9 | N15 | H10 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | N6 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C4 | C5 | N6 | C1 | 0.8° | 0.1° |
| C5 | C4 | C3 | C2 | 0.2° | 0.3° |
| C5 | C4 | C3 | H5 | 179.7° | 179.7° |
| N6 | C5 | C4 | C3 | 0.6° | 0.0° |
| C5 | N6 | C1 | C2 | 0.1° | 0.3° |
| C5 | N6 | C1 | N1 | 178.7° | 179.7° |
| N6 | C5 | C4 | H1 | 179.4° | 179.7° |
| C4 | C3 | C2 | H5 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.9° | 0.6° |
| C3 | C4 | C5 | H2 | 179.5° | 180.0° |
| C4 | C3 | C2 | H4 | 179.1° | 179.4° |
| N6 | C1 | C2 | C3 | 0.7° | 0.6° |
| N6 | C1 | C2 | N1 | 178.9° | 179.4° |
| N6 | C1 | N1 | C7 | 53.0° | 4.4° |
| C1 | N6 | C5 | H2 | 179.3° | 179.9° |
| N6 | C1 | C2 | H4 | 179.3° | 179.4° |
| N6 | C1 | N1 | H8 | 127.0° | 175.5° |
| O12 | C11 | O14 | C10 | 179.7° | 180.0° |
| O12 | C11 | C10 | N15 | 8.9° | 20.0° |
| O12 | C11 | C10 | C8 | 133.6° | 100.0° |
| O12 | C11 | C10 | H3 | 109.2° | 139.9° |
| O12 | C11 | O14 | H12 | 0.0° | 0.0° |
| O9 | C7 | N1 | C1 | 11.6° | 5.1° |
| O9 | C7 | N1 | C8 | 179.7° | 180.0° |
| O9 | C7 | C8 | C10 | 11.6° | 0.0° |
| O9 | C7 | C8 | H6 | 109.0° | 120.0° |
| O9 | C7 | C8 | H7 | 132.2° | 120.0° |
| O9 | C7 | N1 | H8 | 168.4° | 174.9° |
| C3 | C2 | C1 | H4 | 180.0° | 180.0° |
| C3 | C2 | C1 | N1 | 179.6° | 180.0° |
| C2 | C3 | C4 | H1 | 179.8° | 180.0° |
| C2 | C1 | N1 | C7 | 128.2° | 174.9° |
| C1 | C2 | C3 | H5 | 179.1° | 179.5° |
| C2 | C1 | N1 | H8 | 51.9° | 5.1° |
| C1 | N1 | C7 | H8 | 180.0° | 179.9° |
| C1 | N1 | C7 | C8 | 168.7° | 174.9° |
| N1 | C1 | C2 | H4 | 0.4° | 0.0° |
| O14 | C11 | C10 | N15 | 171.3° | 160.0° |
| O14 | C11 | C10 | C8 | 46.6° | 80.0° |
| O14 | C11 | C10 | H3 | 70.5° | 40.0° |
| C11 | C10 | C8 | C7 | 59.0° | 175.0° |
| C11 | C10 | N15 | C8 | 124.7° | 120.0° |
| C11 | C10 | N15 | H3 | 118.1° | 120.0° |
| C11 | C10 | C8 | H3 | 117.3° | 120.0° |
| C11 | C10 | C8 | H6 | 179.6° | 65.0° |
| C11 | C10 | C8 | H7 | 61.5° | 55.0° |
| C11 | C10 | N15 | H9 | 180.0° | 60.0° |
| C11 | C10 | N15 | H10 | 60.0° | 176.1° |
| C10 | C11 | O14 | H12 | 179.7° | 180.0° |
| N1 | C7 | C8 | C10 | 168.1° | 180.0° |
| N1 | C7 | C8 | H6 | 71.4° | 60.0° |
| N1 | C7 | C8 | H7 | 47.5° | 60.0° |
| C7 | C8 | C10 | N15 | 66.2° | 65.0° |
| C7 | C8 | C10 | H6 | 120.6° | 120.0° |
| C7 | C8 | C10 | H7 | 120.6° | 120.0° |
| C7 | C8 | C10 | H3 | 176.3° | 55.0° |
| C7 | C8 | H6 | H7 | 118.2° | 120.0° |
| C8 | C7 | N1 | H8 | 11.3° | 5.1° |
| N15 | C10 | C8 | H3 | 117.4° | 120.0° |
| N15 | C10 | C8 | H6 | 54.4° | 55.0° |
| N15 | C10 | C8 | H7 | 173.2° | 175.0° |
| C10 | N15 | H9 | H10 | 120.0° | 123.9° |
| C10 | C8 | H6 | H7 | 118.2° | 120.0° |
| C8 | C10 | N15 | H9 | 55.3° | 60.0° |
| C8 | C10 | N15 | H10 | 175.3° | 64.0° |
| H1 | C4 | C5 | H2 | 0.6° | 0.3° |
| H1 | C4 | C3 | H5 | 0.3° | 0.0° |
| H3 | C10 | C8 | H6 | 63.1° | 175.0° |
| H3 | C10 | C8 | H7 | 55.8° | 65.0° |
| H3 | C10 | N15 | H9 | 61.9° | 180.0° |
| H3 | C10 | N15 | H10 | 58.1° | 56.1° |
| H4 | C2 | C3 | H5 | 0.9° | 0.5° |
