NN9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.45Å | |
| C4 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C7 | N2 | sing | 1.46Å | 1.47Å | |
| N2 | C8 | sing | 1.38Å | 1.35Å | |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| N3 | C12 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.37Å | Aromatic |
| C11 | C13 | sing | 1.48Å | 1.48Å | |
| C13 | O1 | doub | 1.22Å | 1.25Å | |
| C13 | N4 | sing | 1.35Å | 1.32Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 113.5° | 109.5° |
| N1 | C1 | H3 | 108.5° | 109.5° |
| N1 | C1 | H4 | 108.5° | 109.5° |
| C1 | N1 | H2 | 109.5° | 111.1° |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C3 | C4 | C5 | 120.2° | 120.0° |
| C4 | C3 | C2 | 120.5° | 120.0° |
| C3 | C4 | H6 | 119.9° | 120.0° |
| C4 | C3 | H5 | 119.8° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.0° |
| C5 | C4 | H6 | 119.9° | 120.0° |
| C4 | C5 | H7 | 119.9° | 120.0° |
| C3 | C2 | C1 | 120.5° | 120.0° |
| C3 | C2 | C14 | 119.3° | 120.0° |
| C2 | C3 | H5 | 119.7° | 119.9° |
| C5 | C6 | C14 | 118.5° | 120.0° |
| C5 | C6 | C7 | 122.5° | 120.0° |
| C6 | C5 | H7 | 119.9° | 120.0° |
| C1 | C2 | C14 | 120.2° | 120.0° |
| C2 | C1 | H3 | 108.4° | 109.5° |
| C2 | C1 | H4 | 108.4° | 109.5° |
| C2 | C14 | C6 | 121.2° | 120.0° |
| C2 | C14 | H16 | 119.4° | 120.0° |
| C14 | C6 | C7 | 119.0° | 120.0° |
| C6 | C14 | H16 | 119.4° | 120.0° |
| C6 | C7 | N2 | 112.2° | 109.5° |
| C6 | C7 | H8 | 108.8° | 109.4° |
| C6 | C7 | H9 | 108.8° | 109.5° |
| C7 | N2 | C8 | 123.6° | 120.1° |
| N2 | C7 | H8 | 108.8° | 109.5° |
| N2 | C7 | H9 | 108.8° | 109.5° |
| C7 | N2 | H10 | 105.8° | 120.0° |
| N2 | C8 | C9 | 120.8° | 119.5° |
| N2 | C8 | N3 | 117.0° | 119.6° |
| C8 | N2 | H10 | 105.8° | 120.0° |
| C8 | C9 | C10 | 117.9° | 119.4° |
| C9 | C8 | N3 | 122.1° | 120.9° |
| C8 | C9 | H11 | 121.0° | 120.3° |
| C9 | C10 | C11 | 121.0° | 118.5° |
| C9 | C10 | H12 | 119.5° | 120.7° |
| C10 | C9 | H11 | 121.1° | 120.3° |
| C8 | N3 | C12 | 117.7° | 121.7° |
| C10 | C11 | C12 | 117.3° | 119.1° |
| C10 | C11 | C13 | 121.6° | 120.4° |
| C11 | C10 | H12 | 119.5° | 120.8° |
| N3 | C12 | C11 | 123.9° | 120.5° |
| N3 | C12 | H13 | 118.1° | 119.7° |
| C12 | C11 | C13 | 121.1° | 120.5° |
| C11 | C12 | H13 | 118.1° | 119.8° |
| C11 | C13 | O1 | 118.9° | 120.0° |
| C11 | C13 | N4 | 117.6° | 120.0° |
| O1 | C13 | N4 | 123.5° | 120.0° |
| C13 | N4 | H15 | 120.0° | 120.0° |
| C13 | N4 | H14 | 120.0° | 120.0° |
| H3 | C1 | H4 | 109.5° | 109.4° |
| H2 | N1 | H1 | 109.4° | 111.0° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H15 | N4 | H14 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | C3 | 63.8° | 89.7° |
| N1 | C1 | C2 | H3 | 120.6° | 120.0° |
| N1 | C1 | C2 | H4 | 120.6° | 120.0° |
| N1 | C1 | C2 | C14 | 118.8° | 90.0° |
| N1 | C1 | H3 | H4 | 118.2° | 120.0° |
| C1 | N1 | H2 | H1 | 120.0° | 124.0° |
| C3 | C4 | C5 | H6 | 180.0° | 180.0° |
| C4 | C3 | C2 | H5 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.3° | 0.2° |
| C4 | C3 | C2 | C1 | 179.0° | 180.0° |
| C4 | C3 | C2 | C14 | 3.6° | 0.3° |
| C3 | C4 | C5 | H7 | 178.7° | 180.0° |
| C5 | C4 | C3 | C2 | 2.3° | 0.1° |
| C4 | C5 | C6 | H7 | 180.0° | 179.8° |
| C4 | C5 | C6 | C14 | 1.6° | 0.1° |
| C4 | C5 | C6 | C7 | 177.8° | 179.8° |
| C5 | C4 | C3 | H5 | 177.7° | 179.9° |
| C3 | C2 | C1 | C14 | 177.3° | 179.7° |
| C3 | C2 | C14 | C6 | 4.0° | 0.4° |
| C3 | C2 | C1 | H3 | 175.6° | 30.3° |
| C3 | C2 | C1 | H4 | 56.8° | 150.3° |
| C2 | C3 | C4 | H6 | 177.7° | 180.0° |
| C3 | C2 | C14 | H16 | 176.0° | 179.7° |
| C5 | C6 | C14 | C2 | 2.9° | 0.1° |
| C5 | C6 | C14 | C7 | 176.3° | 179.9° |
| C5 | C6 | C7 | N2 | 119.4° | 90.0° |
| C6 | C5 | C4 | H6 | 178.7° | 179.8° |
| C5 | C6 | C7 | H8 | 1.0° | 29.9° |
| C5 | C6 | C7 | H9 | 120.2° | 149.9° |
| C5 | C6 | C14 | H16 | 177.0° | 179.9° |
| C1 | C2 | C14 | C6 | 178.7° | 180.0° |
| C2 | C1 | H3 | H4 | 118.1° | 120.0° |
| C2 | C1 | N1 | H2 | 180.0° | 180.0° |
| C2 | C1 | N1 | H1 | 60.0° | 56.0° |
| C1 | C2 | C3 | H5 | 1.0° | 0.0° |
| C1 | C2 | C14 | H16 | 1.4° | 0.0° |
| C2 | C14 | C6 | H16 | 180.0° | 179.9° |
| C2 | C14 | C6 | C7 | 179.3° | 180.0° |
| C14 | C2 | C1 | H3 | 1.8° | 150.0° |
| C14 | C2 | C1 | H4 | 120.6° | 30.1° |
| C14 | C2 | C3 | H5 | 176.4° | 179.7° |
| C14 | C6 | C7 | N2 | 56.8° | 90.1° |
| C14 | C6 | C5 | H7 | 178.4° | 180.0° |
| C14 | C6 | C7 | H8 | 177.2° | 149.9° |
| C14 | C6 | C7 | H9 | 63.6° | 30.0° |
| C6 | C7 | N2 | H8 | 120.4° | 120.0° |
| C6 | C7 | N2 | H9 | 120.4° | 120.1° |
| C6 | C7 | N2 | C8 | 60.2° | 180.0° |
| C7 | C6 | C5 | H7 | 2.2° | 0.1° |
| C6 | C7 | H8 | H9 | 118.8° | 120.0° |
| C6 | C7 | N2 | H10 | 177.9° | 0.1° |
| C7 | C6 | C14 | H16 | 0.7° | 0.0° |
| C7 | N2 | C8 | H10 | 121.9° | 179.9° |
| C7 | N2 | C8 | C9 | 24.1° | 0.7° |
| C7 | N2 | C8 | N3 | 152.2° | 180.0° |
| N2 | C7 | H8 | H9 | 118.8° | 120.0° |
| N2 | C8 | C9 | N3 | 176.2° | 179.2° |
| N2 | C8 | C9 | C10 | 179.9° | 179.8° |
| N2 | C8 | N3 | C12 | 179.6° | 180.0° |
| C8 | N2 | C7 | H8 | 60.2° | 60.0° |
| C8 | N2 | C7 | H9 | 179.4° | 59.9° |
| N2 | C8 | C9 | H11 | 0.1° | 0.3° |
| C8 | C9 | C10 | H11 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 1.4° | 0.0° |
| C9 | C8 | N3 | C12 | 3.3° | 0.8° |
| C8 | C9 | C10 | H12 | 178.7° | 179.8° |
| C9 | C8 | N2 | H10 | 97.8° | 179.2° |
| C10 | C9 | C8 | N3 | 3.7° | 0.5° |
| C9 | C10 | C11 | H12 | 180.0° | 179.8° |
| C9 | C10 | C11 | C12 | 1.2° | 0.2° |
| C9 | C10 | C11 | C13 | 179.5° | 179.8° |
| C8 | N3 | C12 | C11 | 0.5° | 0.5° |
| N3 | C8 | N2 | H10 | 85.9° | 0.0° |
| N3 | C8 | C9 | H11 | 176.3° | 179.5° |
| C8 | N3 | C12 | H13 | 179.5° | 179.5° |
| C10 | C11 | C12 | N3 | 1.8° | 0.0° |
| C10 | C11 | C12 | C13 | 178.3° | 180.0° |
| C10 | C11 | C13 | O1 | 26.7° | 0.0° |
| C10 | C11 | C13 | N4 | 153.9° | 180.0° |
| C11 | C10 | C9 | H11 | 178.7° | 180.0° |
| C10 | C11 | C12 | H13 | 178.2° | 180.0° |
| N3 | C12 | C11 | H13 | 180.0° | 180.0° |
| N3 | C12 | C11 | C13 | 179.9° | 180.0° |
| C12 | C11 | C13 | O1 | 155.1° | 180.0° |
| C12 | C11 | C13 | N4 | 24.4° | 0.0° |
| C12 | C11 | C10 | H12 | 178.8° | 180.0° |
| C11 | C13 | O1 | N4 | 179.4° | 180.0° |
| C13 | C11 | C10 | H12 | 0.4° | 0.0° |
| C13 | C11 | C12 | H13 | 0.1° | 0.0° |
| C11 | C13 | N4 | H15 | 179.4° | 0.0° |
| C11 | C13 | N4 | H14 | 0.6° | 180.0° |
| O1 | C13 | N4 | H15 | 0.0° | 180.0° |
| O1 | C13 | N4 | H14 | 180.0° | 0.0° |
| C13 | N4 | H15 | H14 | 180.0° | 180.0° |
| H3 | C1 | N1 | H2 | 59.4° | 60.0° |
| H3 | C1 | N1 | H1 | 60.6° | 176.0° |
| H4 | C1 | N1 | H2 | 59.4° | 60.0° |
| H4 | C1 | N1 | H1 | 179.4° | 64.0° |
| H6 | C4 | C3 | H5 | 2.3° | 0.0° |
| H6 | C4 | C5 | H7 | 1.3° | 0.0° |
| H12 | C10 | C9 | H11 | 1.3° | 0.2° |
| H8 | C7 | N2 | H10 | 61.7° | 120.0° |
| H9 | C7 | N2 | H10 | 57.5° | 120.0° |
