WA0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | doub | 1.38Å | 1.35Å | Aromatic |
| C | C5 | sing | 1.38Å | 1.32Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.30Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.36Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.33Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | N2 | sing | 1.47Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.51Å | 1.46Å | |
| C8 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
| C8 | N | doub | 1.31Å | 1.34Å | Aromatic |
| N1 | C10 | sing | 1.37Å | 1.37Å | Aromatic |
| N | C9 | sing | 1.34Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.35Å | 1.36Å | Aromatic |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | H5 | sing | 1.01Å | 1.00Å | |
| N2 | H3 | sing | 1.01Å | 1.00Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | H | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | C5 | 117.6° | 120.0° |
| C | C1 | C2 | 121.7° | 120.0° |
| C | C1 | H7 | 119.1° | 120.0° |
| C1 | C | H6 | 121.2° | 120.0° |
| C | C5 | C4 | 121.0° | 120.0° |
| C | C5 | H10 | 119.5° | 120.1° |
| C5 | C | H6 | 121.2° | 120.0° |
| C1 | C2 | C3 | 121.9° | 120.0° |
| C2 | C1 | H7 | 119.2° | 120.0° |
| C1 | C2 | H8 | 119.0° | 120.0° |
| C5 | C4 | C3 | 119.4° | 120.0° |
| C4 | C5 | H10 | 119.5° | 120.0° |
| C5 | C4 | H9 | 120.3° | 120.0° |
| C2 | C3 | C4 | 116.8° | 120.0° |
| C2 | C3 | C6 | 111.9° | 120.0° |
| C3 | C2 | H8 | 119.0° | 120.0° |
| C4 | C3 | C6 | 129.6° | 120.0° |
| C3 | C4 | H9 | 120.3° | 120.0° |
| C3 | C6 | N2 | 112.4° | 109.4° |
| C3 | C6 | C7 | 115.8° | 109.5° |
| C3 | C6 | H | 105.8° | 109.5° |
| N2 | C6 | C7 | 110.5° | 109.5° |
| C6 | N2 | H5 | 109.5° | 111.0° |
| C6 | N2 | H3 | 109.5° | 111.0° |
| N2 | C6 | H | 105.7° | 109.4° |
| C6 | C7 | C8 | 113.1° | 109.5° |
| C6 | C7 | H11 | 108.6° | 109.5° |
| C6 | C7 | H12 | 108.6° | 109.5° |
| C7 | C6 | H | 105.7° | 109.5° |
| C7 | C8 | N1 | 126.0° | 125.7° |
| C7 | C8 | N | 126.9° | 125.7° |
| C8 | C7 | H11 | 108.6° | 109.4° |
| C8 | C7 | H12 | 108.6° | 109.5° |
| N1 | C8 | N | 107.2° | 108.7° |
| C8 | N1 | C10 | 109.5° | 107.2° |
| C8 | N1 | H2 | 125.3° | 126.4° |
| C8 | N | C9 | 109.4° | 109.3° |
| N1 | C10 | C9 | 107.3° | 106.8° |
| C10 | N1 | H2 | 125.2° | 126.4° |
| N1 | C10 | H14 | 126.4° | 126.6° |
| N | C9 | C10 | 106.6° | 108.0° |
| N | C9 | H13 | 126.7° | 126.0° |
| C10 | C9 | H13 | 126.7° | 126.0° |
| C9 | C10 | H14 | 126.3° | 126.6° |
| H11 | C7 | H12 | 109.4° | 109.5° |
| H5 | N2 | H3 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | C5 | H6 | 180.0° | 180.0° |
| C | C1 | C2 | H7 | 180.0° | 179.7° |
| C1 | C | C5 | C4 | 6.4° | 0.0° |
| C | C1 | C2 | C3 | 12.8° | 0.3° |
| C1 | C | C5 | H10 | 173.6° | 179.7° |
| C | C1 | C2 | H8 | 167.3° | 179.7° |
| C5 | C | C1 | C2 | 4.7° | 0.0° |
| C | C5 | C4 | H10 | 180.0° | 179.7° |
| C | C5 | C4 | C3 | 9.7° | 0.2° |
| C5 | C | C1 | H7 | 175.3° | 179.7° |
| C | C5 | C4 | H9 | 170.3° | 179.7° |
| C1 | C2 | C3 | H8 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 9.0° | 0.6° |
| C1 | C2 | C3 | C6 | 157.8° | 179.9° |
| C2 | C1 | C | H6 | 175.3° | 180.0° |
| C5 | C4 | C3 | C2 | 2.0° | 0.5° |
| C5 | C4 | C3 | H9 | 180.0° | 179.9° |
| C5 | C4 | C3 | C6 | 166.0° | 179.9° |
| C4 | C5 | C | H6 | 173.6° | 180.0° |
| C2 | C3 | C4 | C6 | 164.0° | 179.5° |
| C2 | C3 | C6 | N2 | 161.9° | 39.5° |
| C2 | C3 | C6 | C7 | 69.7° | 80.5° |
| C3 | C2 | C1 | H7 | 167.2° | 180.0° |
| C2 | C3 | C6 | H | 47.0° | 159.4° |
| C2 | C3 | C4 | H9 | 178.0° | 179.4° |
| C4 | C3 | C6 | N2 | 2.8° | 140.0° |
| C4 | C3 | C6 | C7 | 125.7° | 100.0° |
| C3 | C4 | C5 | H10 | 170.3° | 179.9° |
| C4 | C3 | C6 | H | 117.7° | 20.1° |
| C4 | C3 | C2 | H8 | 171.0° | 179.5° |
| C3 | C6 | N2 | C7 | 131.2° | 120.0° |
| C3 | C6 | N2 | H | 114.9° | 120.0° |
| C3 | C6 | C7 | H | 116.7° | 120.0° |
| C3 | C6 | C7 | C8 | 139.8° | 175.0° |
| C3 | C6 | C7 | H11 | 99.7° | 65.0° |
| C3 | C6 | C7 | H12 | 19.2° | 55.0° |
| C3 | C6 | N2 | H5 | 180.0° | 60.0° |
| C3 | C6 | N2 | H3 | 60.0° | 63.9° |
| C6 | C3 | C4 | H9 | 14.0° | 0.1° |
| C6 | C3 | C2 | H8 | 22.2° | 0.0° |
| N2 | C6 | C7 | H | 113.9° | 120.0° |
| N2 | C6 | C7 | C8 | 10.4° | 65.0° |
| N2 | C6 | C7 | H11 | 130.9° | 55.0° |
| N2 | C6 | C7 | H12 | 110.1° | 175.0° |
| C6 | N2 | H5 | H3 | 120.0° | 123.9° |
| C6 | C7 | C8 | H11 | 120.6° | 120.0° |
| C6 | C7 | C8 | H12 | 120.6° | 120.0° |
| C6 | C7 | C8 | N1 | 73.1° | 125.0° |
| C6 | C7 | C8 | N | 106.8° | 55.0° |
| C6 | C7 | H11 | H12 | 118.4° | 120.0° |
| C7 | C6 | N2 | H5 | 48.8° | 60.0° |
| C7 | C6 | N2 | H3 | 71.2° | 176.1° |
| C7 | C8 | N1 | N | 179.9° | 180.0° |
| C7 | C8 | N1 | C10 | 179.1° | 180.0° |
| C7 | C8 | N | C9 | 179.2° | 179.8° |
| C7 | C8 | N1 | H2 | 1.0° | 0.3° |
| C8 | C7 | H11 | H12 | 118.3° | 120.0° |
| C8 | C7 | C6 | H | 103.5° | 55.0° |
| C8 | N1 | C10 | H2 | 180.0° | 179.7° |
| N1 | C8 | N | C9 | 0.7° | 0.3° |
| C8 | N1 | C10 | C9 | 0.7° | 0.3° |
| N1 | C8 | C7 | H11 | 166.4° | 115.0° |
| N1 | C8 | C7 | H12 | 47.5° | 5.0° |
| C8 | N1 | C10 | H14 | 179.4° | 179.7° |
| N | C8 | N1 | C10 | 0.8° | 0.0° |
| C8 | N | C9 | C10 | 0.3° | 0.4° |
| N | C8 | N1 | H2 | 179.2° | 179.7° |
| N | C8 | C7 | H11 | 13.8° | 65.0° |
| N | C8 | C7 | H12 | 132.7° | 175.0° |
| C8 | N | C9 | H13 | 179.7° | 180.0° |
| N1 | C10 | C9 | N | 0.2° | 0.4° |
| N1 | C10 | C9 | H14 | 180.0° | 180.0° |
| N1 | C10 | C9 | H13 | 179.8° | 180.0° |
| N | C9 | C10 | H13 | 180.0° | 179.6° |
| N | C9 | C10 | H14 | 179.8° | 179.6° |
| C9 | C10 | N1 | H2 | 179.3° | 180.0° |
| H2 | N1 | C10 | H14 | 0.6° | 0.0° |
| H11 | C7 | C6 | H | 17.0° | 174.9° |
| H12 | C7 | C6 | H | 135.9° | 65.0° |
| H5 | N2 | C6 | H | 65.1° | 180.0° |
| H3 | N2 | C6 | H | 174.9° | 56.1° |
| H13 | C9 | C10 | H14 | 0.2° | 0.0° |
| H7 | C1 | C2 | H8 | 12.8° | 0.1° |
| H7 | C1 | C | H6 | 4.7° | 0.3° |
| H10 | C5 | C4 | H9 | 9.7° | 0.0° |
| H10 | C5 | C | H6 | 6.4° | 0.3° |
