WMM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N9 | sing | 1.37Å | 1.36Å | Aromatic |
| C10 | N11 | doub | 1.30Å | 1.31Å | Aromatic |
| N9 | C8 | sing | 1.37Å | 1.36Å | Aromatic |
| N11 | N12 | sing | 1.28Å | 1.37Å | Aromatic |
| C8 | N12 | doub | 1.31Å | 1.31Å | Aromatic |
| C8 | S7 | sing | 1.76Å | 1.72Å | |
| C6 | S7 | sing | 1.81Å | 1.79Å | |
| C6 | C3 | sing | 1.51Å | 1.47Å | |
| C4 | C3 | doub | 1.33Å | 1.37Å | Aromatic |
| C4 | S5 | sing | 1.76Å | 1.71Å | Aromatic |
| C3 | N2 | sing | 1.32Å | 1.38Å | Aromatic |
| S5 | C1 | sing | 1.71Å | 1.72Å | Aromatic |
| N2 | C1 | doub | 1.30Å | 1.32Å | Aromatic |
| C1 | N13 | sing | 1.39Å | 1.37Å | |
| N13 | C14 | sing | 1.40Å | 1.40Å | |
| C19 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| N13 | H11 | sing | 0.97Å | 1.00Å | |
| N9 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N9 | C10 | N11 | 108.9° | 107.3° |
| C10 | N9 | C8 | 104.5° | 105.7° |
| N9 | C10 | H7 | 125.5° | 126.3° |
| C10 | N9 | H10 | 127.7° | 127.1° |
| C10 | N11 | N12 | 109.8° | 110.1° |
| N11 | C10 | H7 | 125.5° | 126.4° |
| N9 | C8 | N12 | 112.0° | 107.0° |
| N9 | C8 | S7 | 121.3° | 126.5° |
| C8 | N9 | H10 | 127.8° | 127.2° |
| N11 | N12 | C8 | 104.8° | 109.9° |
| N12 | C8 | S7 | 126.7° | 126.5° |
| C8 | S7 | C6 | 96.2° | 100.0° |
| S7 | C6 | C3 | 115.9° | 109.5° |
| S7 | C6 | H8 | 107.8° | 109.4° |
| S7 | C6 | H9 | 107.8° | 109.5° |
| C6 | C3 | C4 | 124.0° | 122.7° |
| C6 | C3 | N2 | 121.6° | 122.7° |
| C3 | C6 | H8 | 107.8° | 109.5° |
| C3 | C6 | H9 | 107.9° | 109.5° |
| C3 | C4 | S5 | 109.3° | 108.1° |
| C4 | C3 | N2 | 114.4° | 114.6° |
| C3 | C4 | H6 | 125.3° | 125.9° |
| C4 | S5 | C1 | 91.2° | 90.4° |
| S5 | C4 | H6 | 125.4° | 126.0° |
| C3 | N2 | C1 | 112.9° | 116.8° |
| S5 | C1 | N2 | 112.2° | 110.1° |
| S5 | C1 | N13 | 125.4° | 124.9° |
| N2 | C1 | N13 | 122.5° | 124.9° |
| C1 | N13 | C14 | 127.1° | 120.0° |
| C1 | N13 | H11 | 116.5° | 120.0° |
| N13 | C14 | C19 | 123.8° | 120.1° |
| N13 | C14 | C15 | 118.0° | 120.1° |
| C14 | N13 | H11 | 116.4° | 120.0° |
| C14 | C19 | C18 | 120.3° | 120.0° |
| C19 | C14 | C15 | 118.1° | 119.8° |
| C14 | C19 | H5 | 119.8° | 120.0° |
| C19 | C18 | C17 | 120.7° | 120.0° |
| C19 | C18 | H3 | 119.6° | 120.0° |
| C18 | C19 | H5 | 119.9° | 120.0° |
| C14 | C15 | C16 | 122.1° | 119.9° |
| C14 | C15 | H4 | 119.0° | 120.0° |
| C18 | C17 | C16 | 119.9° | 120.2° |
| C18 | C17 | H1 | 120.1° | 119.9° |
| C17 | C18 | H3 | 119.7° | 120.0° |
| C15 | C16 | C17 | 118.8° | 120.1° |
| C15 | C16 | H2 | 120.6° | 120.0° |
| C16 | C15 | H4 | 118.9° | 120.0° |
| C16 | C17 | H1 | 120.1° | 119.9° |
| C17 | C16 | H2 | 120.6° | 120.0° |
| H8 | C6 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N9 | C10 | N11 | H7 | 180.0° | 179.7° |
| C10 | N9 | C8 | H10 | 180.0° | 180.0° |
| N9 | C10 | N11 | N12 | 0.2° | 0.0° |
| C10 | N9 | C8 | N12 | 0.3° | 0.0° |
| C10 | N9 | C8 | S7 | 179.8° | 180.0° |
| N11 | C10 | N9 | C8 | 0.0° | 0.0° |
| C10 | N11 | N12 | C8 | 0.4° | 0.0° |
| N11 | C10 | N9 | H10 | 180.0° | 180.0° |
| N9 | C8 | N12 | N11 | 0.4° | 0.0° |
| N9 | C8 | N12 | S7 | 179.5° | 179.9° |
| N9 | C8 | S7 | C6 | 62.6° | 179.9° |
| C8 | N9 | C10 | H7 | 179.9° | 179.7° |
| N11 | N12 | C8 | S7 | 179.9° | 180.0° |
| N12 | N11 | C10 | H7 | 179.8° | 179.7° |
| N12 | C8 | S7 | C6 | 116.9° | 0.0° |
| N12 | C8 | N9 | H10 | 179.7° | 180.0° |
| C8 | S7 | C6 | C3 | 83.2° | 180.0° |
| C8 | S7 | C6 | H8 | 37.8° | 60.0° |
| C8 | S7 | C6 | H9 | 155.9° | 60.0° |
| S7 | C8 | N9 | H10 | 0.2° | 0.0° |
| S7 | C6 | C3 | H8 | 120.9° | 119.9° |
| S7 | C6 | C3 | H9 | 120.9° | 120.1° |
| S7 | C6 | C3 | C4 | 128.3° | 90.1° |
| S7 | C6 | C3 | N2 | 53.0° | 90.0° |
| S7 | C6 | H8 | H9 | 117.0° | 120.0° |
| C6 | C3 | C4 | N2 | 178.8° | 179.9° |
| C6 | C3 | C4 | S5 | 178.9° | 180.0° |
| C6 | C3 | N2 | C1 | 178.0° | 180.0° |
| C6 | C3 | C4 | H6 | 1.1° | 0.3° |
| C3 | C6 | H8 | H9 | 117.1° | 120.1° |
| C3 | C4 | S5 | H6 | 180.0° | 179.7° |
| C3 | C4 | S5 | C1 | 0.8° | 0.0° |
| C4 | C3 | N2 | C1 | 0.8° | 0.1° |
| C4 | C3 | C6 | H8 | 7.3° | 150.0° |
| C4 | C3 | C6 | H9 | 110.8° | 30.0° |
| S5 | C4 | C3 | N2 | 0.2° | 0.0° |
| C4 | S5 | C1 | N2 | 1.3° | 0.0° |
| C4 | S5 | C1 | N13 | 179.3° | 180.0° |
| C3 | N2 | C1 | S5 | 1.4° | 0.0° |
| C3 | N2 | C1 | N13 | 179.1° | 180.0° |
| N2 | C3 | C4 | H6 | 179.8° | 179.8° |
| N2 | C3 | C6 | H8 | 174.0° | 29.9° |
| N2 | C3 | C6 | H9 | 67.9° | 149.9° |
| S5 | C1 | N2 | N13 | 179.4° | 180.0° |
| S5 | C1 | N13 | C14 | 7.1° | 6.4° |
| C1 | S5 | C4 | H6 | 179.2° | 179.7° |
| S5 | C1 | N13 | H11 | 172.9° | 173.5° |
| N2 | C1 | N13 | C14 | 173.6° | 173.6° |
| N2 | C1 | N13 | H11 | 6.5° | 6.5° |
| C1 | N13 | C14 | H11 | 180.0° | 180.0° |
| C1 | N13 | C14 | C19 | 15.7° | 144.0° |
| C1 | N13 | C14 | C15 | 161.6° | 36.9° |
| N13 | C14 | C19 | C15 | 177.3° | 179.1° |
| N13 | C14 | C19 | C18 | 178.2° | 180.0° |
| N13 | C14 | C15 | C16 | 178.8° | 179.8° |
| N13 | C14 | C15 | H4 | 1.1° | 0.4° |
| N13 | C14 | C19 | H5 | 1.8° | 0.8° |
| C14 | C19 | C18 | H5 | 180.0° | 179.2° |
| C14 | C19 | C18 | C17 | 0.1° | 0.7° |
| C19 | C14 | C15 | C16 | 1.3° | 0.6° |
| C14 | C19 | C18 | H3 | 179.9° | 179.5° |
| C19 | C14 | C15 | H4 | 178.6° | 179.5° |
| C19 | C14 | N13 | H11 | 164.2° | 36.0° |
| C18 | C19 | C14 | C15 | 0.8° | 0.9° |
| C19 | C18 | C17 | H3 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.2° | 0.1° |
| C19 | C18 | C17 | H1 | 179.9° | 179.7° |
| C14 | C15 | C16 | H4 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 1.1° | 0.1° |
| C14 | C15 | C16 | H2 | 178.9° | 180.0° |
| C15 | C14 | C19 | H5 | 179.2° | 179.9° |
| C15 | C14 | N13 | H11 | 18.4° | 143.1° |
| C18 | C17 | C16 | C15 | 0.3° | 0.1° |
| C18 | C17 | C16 | H1 | 180.0° | 179.8° |
| C18 | C17 | C16 | H2 | 179.7° | 179.8° |
| C17 | C18 | C19 | H5 | 179.9° | 179.8° |
| C15 | C16 | C17 | H2 | 180.0° | 179.9° |
| C15 | C16 | C17 | H1 | 179.7° | 179.9° |
| C16 | C17 | C18 | H3 | 179.8° | 180.0° |
| C17 | C16 | C15 | H4 | 178.9° | 180.0° |
| H1 | C17 | C16 | H2 | 0.3° | 0.1° |
| H1 | C17 | C18 | H3 | 0.2° | 0.2° |
| H2 | C16 | C15 | H4 | 1.1° | 0.1° |
| H3 | C18 | C19 | H5 | 0.1° | 0.3° |
| H7 | C10 | N9 | H10 | 0.1° | 0.3° |
