8W9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.34Å | Aromatic |
| C15 | C11 | sing | 1.51Å | 1.39Å | |
| C15 | N14 | sing | 1.47Å | 1.47Å | |
| C10 | N3 | sing | 1.46Å | 1.48Å | |
| C11 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | N3 | sing | 1.39Å | 1.33Å | |
| C5 | C4 | doub | 1.40Å | 1.34Å | Aromatic |
| N3 | C1 | sing | 1.35Å | 1.32Å | |
| C8 | C4 | sing | 1.39Å | 1.34Å | Aromatic |
| C4 | N2 | sing | 1.39Å | 1.34Å | |
| C1 | N2 | sing | 1.35Å | 1.33Å | |
| C1 | O7 | doub | 1.22Å | 1.24Å | |
| N2 | C9 | sing | 1.46Å | 1.49Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| N14 | H12 | sing | 1.01Å | 1.00Å | |
| N14 | H13 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C12 | C11 | 117.8° | 120.2° |
| C12 | C6 | C5 | 120.1° | 119.9° |
| C12 | C6 | H1 | 119.9° | 120.1° |
| C6 | C12 | H9 | 121.1° | 119.9° |
| C12 | C11 | C15 | 119.0° | 119.8° |
| C12 | C11 | C8 | 119.9° | 120.3° |
| C11 | C12 | H9 | 121.1° | 119.9° |
| C6 | C5 | N3 | 129.3° | 133.3° |
| C6 | C5 | C4 | 122.4° | 119.9° |
| C5 | C6 | H1 | 119.9° | 120.1° |
| C11 | C15 | N14 | 110.6° | 109.4° |
| C15 | C11 | C8 | 121.2° | 119.9° |
| C11 | C15 | H10 | 109.2° | 109.5° |
| C11 | C15 | H11 | 109.2° | 109.5° |
| N14 | C15 | H10 | 109.2° | 109.4° |
| N14 | C15 | H11 | 109.2° | 109.5° |
| C15 | N14 | H12 | 109.5° | 111.0° |
| C15 | N14 | H13 | 109.5° | 111.0° |
| C10 | N3 | C5 | 123.1° | 125.8° |
| C10 | N3 | C1 | 129.2° | 125.9° |
| N3 | C10 | H6 | 109.5° | 109.5° |
| N3 | C10 | H7 | 109.5° | 109.4° |
| N3 | C10 | H8 | 109.5° | 109.5° |
| C11 | C8 | C4 | 120.0° | 119.9° |
| C11 | C8 | H2 | 120.0° | 120.1° |
| N3 | C5 | C4 | 108.2° | 106.8° |
| C5 | N3 | C1 | 107.8° | 108.3° |
| C5 | C4 | C8 | 119.7° | 119.9° |
| C5 | C4 | N2 | 107.7° | 106.8° |
| N3 | C1 | N2 | 109.2° | 109.7° |
| N3 | C1 | O7 | 124.3° | 125.1° |
| C8 | C4 | N2 | 132.6° | 133.3° |
| C4 | C8 | H2 | 120.0° | 120.1° |
| C4 | N2 | C1 | 107.1° | 108.4° |
| C4 | N2 | C9 | 127.8° | 125.8° |
| N2 | C1 | O7 | 126.5° | 125.2° |
| C1 | N2 | C9 | 125.0° | 125.8° |
| N2 | C9 | H3 | 109.5° | 109.4° |
| N2 | C9 | H4 | 109.5° | 109.5° |
| N2 | C9 | H5 | 109.4° | 109.5° |
| H3 | C9 | H4 | 109.5° | 109.4° |
| H3 | C9 | H5 | 109.5° | 109.4° |
| H4 | C9 | H5 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.4° | 109.4° |
| H6 | C10 | H8 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H12 | N14 | H13 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C12 | C11 | H9 | 180.0° | 179.8° |
| C12 | C6 | C5 | H1 | 180.0° | 180.0° |
| C6 | C12 | C11 | C15 | 180.0° | 179.7° |
| C6 | C12 | C11 | C8 | 0.2° | 0.1° |
| C12 | C6 | C5 | N3 | 179.6° | 180.0° |
| C12 | C6 | C5 | C4 | 1.0° | 0.0° |
| C11 | C12 | C6 | C5 | 0.5° | 0.2° |
| C12 | C11 | C15 | C8 | 179.8° | 179.8° |
| C12 | C11 | C15 | N14 | 71.1° | 90.1° |
| C12 | C11 | C8 | C4 | 0.3° | 0.2° |
| C11 | C12 | C6 | H1 | 179.4° | 179.8° |
| C12 | C11 | C8 | H2 | 179.7° | 180.0° |
| C12 | C11 | C15 | H10 | 168.7° | 29.8° |
| C12 | C11 | C15 | H11 | 49.1° | 149.9° |
| C6 | C5 | N3 | C10 | 0.8° | 0.1° |
| C6 | C5 | N3 | C4 | 178.8° | 180.0° |
| C6 | C5 | N3 | C1 | 179.3° | 180.0° |
| C6 | C5 | C4 | C8 | 1.1° | 0.3° |
| C6 | C5 | C4 | N2 | 179.8° | 180.0° |
| C5 | C6 | C12 | H9 | 179.5° | 180.0° |
| C11 | C15 | N14 | H10 | 120.1° | 120.0° |
| C11 | C15 | N14 | H11 | 120.2° | 120.0° |
| C15 | C11 | C8 | C4 | 179.9° | 180.0° |
| C15 | C11 | C8 | H2 | 0.1° | 0.2° |
| C15 | C11 | C12 | H9 | 0.0° | 0.1° |
| C11 | C15 | H10 | H11 | 119.5° | 120.0° |
| C11 | C15 | N14 | H12 | 180.0° | 56.0° |
| C11 | C15 | N14 | H13 | 60.0° | 180.0° |
| N14 | C15 | C11 | C8 | 109.1° | 90.1° |
| N14 | C15 | H10 | H11 | 119.5° | 120.0° |
| C15 | N14 | H12 | H13 | 120.0° | 124.0° |
| C10 | N3 | C5 | C1 | 179.9° | 180.0° |
| C10 | N3 | C5 | C4 | 179.5° | 180.0° |
| C10 | N3 | C1 | N2 | 179.9° | 180.0° |
| C10 | N3 | C1 | O7 | 0.1° | 0.0° |
| N3 | C10 | H6 | H7 | 120.0° | 119.9° |
| N3 | C10 | H6 | H8 | 120.0° | 120.1° |
| N3 | C10 | H7 | H8 | 120.0° | 120.0° |
| C11 | C8 | C4 | C5 | 0.7° | 0.4° |
| C11 | C8 | C4 | H2 | 180.0° | 179.8° |
| C11 | C8 | C4 | N2 | 179.7° | 180.0° |
| C8 | C11 | C12 | H9 | 179.8° | 179.9° |
| C8 | C11 | C15 | H10 | 11.1° | 150.0° |
| C8 | C11 | C15 | H11 | 130.7° | 30.0° |
| N3 | C5 | C4 | C8 | 180.0° | 179.7° |
| N3 | C5 | C4 | N2 | 0.9° | 0.0° |
| C5 | N3 | C1 | N2 | 0.0° | 0.0° |
| C5 | N3 | C1 | O7 | 180.0° | 179.9° |
| N3 | C5 | C6 | H1 | 0.4° | 0.0° |
| C5 | N3 | C10 | H6 | 180.0° | 90.0° |
| C5 | N3 | C10 | H7 | 60.0° | 150.1° |
| C5 | N3 | C10 | H8 | 60.0° | 30.1° |
| C4 | C5 | N3 | C1 | 0.6° | 0.0° |
| C5 | C4 | C8 | N2 | 178.9° | 179.6° |
| C5 | C4 | N2 | C1 | 0.9° | 0.0° |
| C5 | C4 | N2 | C9 | 179.8° | 180.0° |
| C4 | C5 | C6 | H1 | 179.0° | 180.0° |
| C5 | C4 | C8 | H2 | 179.3° | 179.8° |
| N3 | C1 | N2 | C4 | 0.5° | 0.0° |
| N3 | C1 | N2 | O7 | 180.0° | 179.9° |
| N3 | C1 | N2 | C9 | 179.5° | 180.0° |
| C1 | N3 | C10 | H6 | 0.1° | 89.9° |
| C1 | N3 | C10 | H7 | 120.1° | 30.0° |
| C1 | N3 | C10 | H8 | 119.9° | 150.0° |
| C8 | C4 | N2 | C1 | 179.9° | 179.6° |
| C8 | C4 | N2 | C9 | 1.2° | 0.3° |
| C4 | N2 | C1 | C9 | 178.9° | 180.0° |
| C4 | N2 | C1 | O7 | 179.4° | 180.0° |
| N2 | C4 | C8 | H2 | 0.4° | 0.2° |
| C4 | N2 | C9 | H3 | 180.0° | 90.0° |
| C4 | N2 | C9 | H4 | 60.0° | 150.0° |
| C4 | N2 | C9 | H5 | 60.0° | 29.9° |
| C1 | N2 | C9 | H3 | 1.3° | 89.9° |
| C1 | N2 | C9 | H4 | 121.3° | 30.0° |
| C1 | N2 | C9 | H5 | 118.8° | 150.1° |
| O7 | C1 | N2 | C9 | 0.5° | 0.1° |
| N2 | C9 | H3 | H4 | 120.0° | 120.0° |
| N2 | C9 | H3 | H5 | 120.0° | 119.9° |
| N2 | C9 | H4 | H5 | 120.0° | 120.0° |
| H1 | C6 | C12 | H9 | 0.5° | 0.0° |
| H3 | C9 | H4 | H5 | 120.0° | 120.0° |
| H6 | C10 | H7 | H8 | 120.0° | 120.0° |
| H10 | C15 | N14 | H12 | 59.8° | 63.9° |
| H10 | C15 | N14 | H13 | 179.9° | 60.0° |
| H11 | C15 | N14 | H12 | 59.8° | 176.0° |
| H11 | C15 | N14 | H13 | 60.2° | 60.0° |
