WA8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | doub | 1.31Å | 1.32Å | |
| C4 | C3 | sing | 1.51Å | 1.49Å | |
| C3 | N | sing | 1.47Å | 1.46Å | |
| C2 | N | sing | 1.47Å | 1.48Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| N | C6 | sing | 1.35Å | 1.39Å | |
| C1 | C | doub | 1.31Å | 1.31Å | |
| C6 | O | doub | 1.21Å | 1.21Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C7 | N1 | sing | 1.47Å | 1.48Å | |
| C8 | N1 | sing | 1.36Å | 1.38Å | |
| C8 | C9 | doub | 1.35Å | 1.35Å | |
| N1 | C12 | sing | 1.35Å | 1.41Å | |
| C9 | C10 | sing | 1.40Å | 1.43Å | |
| C12 | O1 | doub | 1.22Å | 1.21Å | |
| C12 | C11 | sing | 1.41Å | 1.44Å | |
| C10 | C11 | doub | 1.36Å | 1.35Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C | H15 | sing | 1.08Å | 1.08Å | |
| C | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 121.8° | 120.0° |
| C4 | C5 | H6 | 120.0° | 120.0° |
| C4 | C5 | H7 | 120.0° | 120.0° |
| C5 | C4 | H8 | 119.1° | 120.0° |
| C4 | C3 | N | 114.5° | 109.5° |
| C3 | C4 | H8 | 119.1° | 120.0° |
| C4 | C3 | H9 | 108.2° | 109.5° |
| C4 | C3 | H10 | 108.2° | 109.5° |
| C3 | N | C2 | 117.5° | 120.0° |
| C3 | N | C6 | 119.5° | 120.0° |
| N | C3 | H9 | 108.2° | 109.5° |
| N | C3 | H10 | 108.2° | 109.5° |
| N | C2 | C1 | 114.7° | 109.5° |
| C2 | N | C6 | 120.7° | 120.0° |
| N | C2 | H11 | 108.1° | 109.5° |
| N | C2 | H12 | 108.1° | 109.4° |
| C2 | C1 | C | 122.2° | 120.0° |
| C2 | C1 | H5 | 118.9° | 120.0° |
| C1 | C2 | H11 | 108.2° | 109.5° |
| C1 | C2 | H12 | 108.1° | 109.5° |
| N | C6 | O | 119.0° | 119.9° |
| N | C6 | C7 | 121.4° | 120.0° |
| C | C1 | H5 | 118.9° | 120.0° |
| C1 | C | H15 | 120.0° | 120.0° |
| C1 | C | H16 | 120.0° | 120.0° |
| O | C6 | C7 | 119.5° | 120.0° |
| C6 | C7 | N1 | 108.3° | 109.5° |
| C6 | C7 | H1 | 109.8° | 109.5° |
| C6 | C7 | H2 | 109.8° | 109.4° |
| C7 | N1 | C8 | 119.3° | 119.6° |
| C7 | N1 | C12 | 119.7° | 119.6° |
| N1 | C7 | H1 | 109.8° | 109.5° |
| N1 | C7 | H2 | 109.8° | 109.5° |
| N1 | C8 | C9 | 121.0° | 120.7° |
| C8 | N1 | C12 | 120.9° | 120.8° |
| N1 | C8 | H3 | 119.5° | 119.6° |
| C8 | C9 | C10 | 120.2° | 120.0° |
| C9 | C8 | H3 | 119.4° | 119.7° |
| C8 | C9 | H4 | 119.9° | 120.0° |
| N1 | C12 | O1 | 117.9° | 120.0° |
| N1 | C12 | C11 | 117.0° | 120.0° |
| C9 | C10 | C11 | 119.8° | 119.3° |
| C10 | C9 | H4 | 119.9° | 120.0° |
| C9 | C10 | H14 | 120.1° | 120.4° |
| O1 | C12 | C11 | 125.0° | 120.0° |
| C12 | C11 | C10 | 121.0° | 119.3° |
| C12 | C11 | H13 | 119.5° | 120.3° |
| C10 | C11 | H13 | 119.5° | 120.4° |
| C11 | C10 | H14 | 120.1° | 120.4° |
| H1 | C7 | H2 | 109.5° | 109.5° |
| H6 | C5 | H7 | 120.0° | 120.0° |
| H9 | C3 | H10 | 109.4° | 109.4° |
| H11 | C2 | H12 | 109.5° | 109.5° |
| H15 | C | H16 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H8 | 180.0° | 180.0° |
| C5 | C4 | C3 | N | 128.7° | 125.0° |
| C4 | C5 | H6 | H7 | 180.0° | 180.0° |
| C5 | C4 | C3 | H9 | 8.0° | 115.0° |
| C5 | C4 | C3 | H10 | 110.5° | 5.0° |
| C4 | C3 | N | H9 | 120.7° | 120.0° |
| C4 | C3 | N | H10 | 120.8° | 120.0° |
| C4 | C3 | N | C2 | 13.6° | 90.0° |
| C4 | C3 | N | C6 | 149.0° | 90.0° |
| C3 | C4 | C5 | H6 | 0.0° | 180.0° |
| C3 | C4 | C5 | H7 | 180.0° | 0.0° |
| C4 | C3 | H9 | H10 | 117.7° | 120.0° |
| C3 | N | C2 | C6 | 162.4° | 180.0° |
| C3 | N | C2 | C1 | 66.7° | 90.0° |
| C3 | N | C6 | O | 8.8° | 179.9° |
| C3 | N | C6 | C7 | 170.2° | 0.0° |
| N | C3 | C4 | H8 | 51.3° | 55.0° |
| N | C3 | H9 | H10 | 117.7° | 119.9° |
| C3 | N | C2 | H11 | 54.1° | 30.0° |
| C3 | N | C2 | H12 | 172.5° | 150.0° |
| N | C2 | C1 | H11 | 120.8° | 120.0° |
| N | C2 | C1 | H12 | 120.8° | 120.0° |
| N | C2 | C1 | C | 25.0° | 125.0° |
| C2 | N | C6 | O | 170.9° | 0.1° |
| C2 | N | C6 | C7 | 8.1° | 180.0° |
| N | C2 | C1 | H5 | 155.0° | 55.0° |
| C2 | N | C3 | H9 | 107.2° | 30.0° |
| C2 | N | C3 | H10 | 134.3° | 150.0° |
| N | C2 | H11 | H12 | 117.6° | 119.9° |
| C1 | C2 | N | C6 | 95.7° | 90.0° |
| C2 | C1 | C | H5 | 180.0° | 180.0° |
| C1 | C2 | H11 | H12 | 117.6° | 120.1° |
| C2 | C1 | C | H15 | 180.0° | 0.0° |
| C2 | C1 | C | H16 | 0.0° | 180.0° |
| N | C6 | O | C7 | 179.0° | 179.9° |
| N | C6 | C7 | N1 | 167.4° | 180.0° |
| N | C6 | C7 | H1 | 47.5° | 60.0° |
| N | C6 | C7 | H2 | 72.8° | 60.0° |
| C6 | N | C3 | H9 | 90.2° | 149.9° |
| C6 | N | C3 | H10 | 28.3° | 30.0° |
| C6 | N | C2 | H11 | 143.5° | 150.0° |
| C6 | N | C2 | H12 | 25.1° | 30.0° |
| C | C1 | C2 | H11 | 145.8° | 115.0° |
| C | C1 | C2 | H12 | 95.7° | 5.0° |
| C1 | C | H15 | H16 | 180.0° | 180.0° |
| O | C6 | C7 | N1 | 11.6° | 0.1° |
| O | C6 | C7 | H1 | 131.4° | 119.9° |
| O | C6 | C7 | H2 | 108.2° | 120.1° |
| C6 | C7 | N1 | H1 | 119.8° | 120.0° |
| C6 | C7 | N1 | H2 | 119.8° | 119.9° |
| C6 | C7 | N1 | C8 | 117.7° | 89.7° |
| C6 | C7 | N1 | C12 | 62.4° | 90.0° |
| C6 | C7 | H1 | H2 | 120.6° | 120.0° |
| C7 | N1 | C8 | C12 | 179.9° | 179.7° |
| C7 | N1 | C8 | C9 | 179.7° | 179.8° |
| C7 | N1 | C12 | O1 | 4.8° | 0.0° |
| C7 | N1 | C12 | C11 | 178.6° | 180.0° |
| N1 | C7 | H1 | H2 | 120.5° | 120.0° |
| C7 | N1 | C8 | H3 | 0.3° | 0.3° |
| N1 | C8 | C9 | H3 | 180.0° | 179.9° |
| N1 | C8 | C9 | C10 | 0.8° | 0.1° |
| C8 | N1 | C12 | O1 | 175.2° | 179.7° |
| C8 | N1 | C12 | C11 | 1.4° | 0.3° |
| C8 | N1 | C7 | H1 | 122.5° | 30.3° |
| C8 | N1 | C7 | H2 | 2.1° | 150.3° |
| N1 | C8 | C9 | H4 | 179.2° | 180.0° |
| C9 | C8 | N1 | C12 | 0.3° | 0.1° |
| C8 | C9 | C10 | H4 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.7° | 0.3° |
| C8 | C9 | C10 | H14 | 179.3° | 180.0° |
| N1 | C12 | O1 | C11 | 176.3° | 179.9° |
| N1 | C12 | C11 | C10 | 1.5° | 0.5° |
| C12 | N1 | C7 | H1 | 57.4° | 150.0° |
| C12 | N1 | C7 | H2 | 177.8° | 29.9° |
| C12 | N1 | C8 | H3 | 179.7° | 180.0° |
| N1 | C12 | C11 | H13 | 178.5° | 180.0° |
| C9 | C10 | C11 | C12 | 0.5° | 0.6° |
| C9 | C10 | C11 | H14 | 180.0° | 179.7° |
| C10 | C9 | C8 | H3 | 179.2° | 180.0° |
| C9 | C10 | C11 | H13 | 179.5° | 179.9° |
| O1 | C12 | C11 | C10 | 174.9° | 179.4° |
| O1 | C12 | C11 | H13 | 5.1° | 0.1° |
| C12 | C11 | C10 | H13 | 180.0° | 179.5° |
| C12 | C11 | C10 | H14 | 179.5° | 179.7° |
| C11 | C10 | C9 | H4 | 179.3° | 179.7° |
| H3 | C8 | C9 | H4 | 0.8° | 0.1° |
| H4 | C9 | C10 | H14 | 0.7° | 0.0° |
| H5 | C1 | C2 | H11 | 34.2° | 65.0° |
| H5 | C1 | C2 | H12 | 84.3° | 175.0° |
| H5 | C1 | C | H15 | 0.0° | 180.0° |
| H5 | C1 | C | H16 | 180.0° | 0.0° |
| H6 | C5 | C4 | H8 | 180.0° | 0.1° |
| H7 | C5 | C4 | H8 | 0.0° | 180.0° |
| H8 | C4 | C3 | H9 | 172.0° | 65.0° |
| H8 | C4 | C3 | H10 | 69.5° | 175.0° |
| H13 | C11 | C10 | H14 | 0.5° | 0.2° |
