WM2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.58Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| O9 | C7 | doub | 1.21Å | 1.19Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C1 | C7 | sing | 1.51Å | 1.52Å | |
| C1 | C6 | sing | 1.53Å | 1.55Å | |
| C7 | N8 | sing | 1.35Å | 1.35Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| N8 | H1 | sing | 0.97Å | 1.00Å | |
| N8 | H2 | sing | 0.97Å | 1.00Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | C4 | 109.9° | 109.5° |
| C3 | C2 | C1 | 103.9° | 109.5° |
| C2 | C3 | H10 | 109.4° | 109.5° |
| C2 | C3 | H11 | 109.4° | 109.5° |
| C3 | C2 | H12 | 110.8° | 109.5° |
| C3 | C2 | H13 | 110.8° | 109.5° |
| C3 | C4 | C5 | 110.0° | 109.5° |
| C3 | C4 | H8 | 109.3° | 109.5° |
| C3 | C4 | H9 | 109.3° | 109.5° |
| C4 | C3 | H10 | 109.4° | 109.5° |
| C4 | C3 | H11 | 109.3° | 109.4° |
| C2 | C1 | C7 | 114.7° | 109.5° |
| C2 | C1 | C6 | 108.6° | 109.5° |
| C2 | C1 | H3 | 109.6° | 109.5° |
| C1 | C2 | H12 | 110.8° | 109.5° |
| C1 | C2 | H13 | 110.9° | 109.4° |
| O9 | C7 | C1 | 116.9° | 120.0° |
| O9 | C7 | N8 | 123.1° | 120.0° |
| C4 | C5 | C6 | 111.2° | 109.5° |
| C4 | C5 | H6 | 109.0° | 109.5° |
| C4 | C5 | H7 | 109.1° | 109.5° |
| C5 | C4 | H8 | 109.3° | 109.4° |
| C5 | C4 | H9 | 109.3° | 109.5° |
| C7 | C1 | C6 | 103.9° | 109.4° |
| C1 | C7 | N8 | 120.0° | 120.0° |
| C7 | C1 | H3 | 110.1° | 109.5° |
| C1 | C6 | C5 | 110.2° | 109.5° |
| C6 | C1 | H3 | 109.6° | 109.4° |
| C1 | C6 | H4 | 109.3° | 109.5° |
| C1 | C6 | H5 | 109.3° | 109.5° |
| C7 | N8 | H1 | 120.0° | 120.0° |
| C7 | N8 | H2 | 120.0° | 120.0° |
| C5 | C6 | H4 | 109.3° | 109.5° |
| C5 | C6 | H5 | 109.3° | 109.5° |
| C6 | C5 | H6 | 109.1° | 109.5° |
| C6 | C5 | H7 | 109.0° | 109.5° |
| H1 | N8 | H2 | 120.0° | 119.9° |
| H4 | C6 | H5 | 109.5° | 109.4° |
| H6 | C5 | H7 | 109.4° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H10 | C3 | H11 | 109.4° | 109.5° |
| H12 | C2 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | C4 | H10 | 120.1° | 120.0° |
| C2 | C3 | C4 | H11 | 120.1° | 119.9° |
| C3 | C2 | C1 | H12 | 119.1° | 120.0° |
| C3 | C2 | C1 | H13 | 119.1° | 120.0° |
| C2 | C3 | C4 | C5 | 59.8° | 60.1° |
| C3 | C2 | C1 | C7 | 177.1° | 180.0° |
| C3 | C2 | C1 | C6 | 67.1° | 60.0° |
| C3 | C2 | C1 | H3 | 52.6° | 60.0° |
| C2 | C3 | C4 | H8 | 60.3° | 180.0° |
| C2 | C3 | C4 | H9 | 179.8° | 60.0° |
| C2 | C3 | H10 | H11 | 119.8° | 120.0° |
| C3 | C2 | H12 | H13 | 122.6° | 120.1° |
| C4 | C3 | C2 | C1 | 65.9° | 60.1° |
| C3 | C4 | C5 | H8 | 120.1° | 120.0° |
| C3 | C4 | C5 | H9 | 120.1° | 120.0° |
| C3 | C4 | C5 | C6 | 53.0° | 60.0° |
| C3 | C4 | C5 | H6 | 173.2° | 59.9° |
| C3 | C4 | C5 | H7 | 67.3° | 180.0° |
| C3 | C4 | H8 | H9 | 119.8° | 120.0° |
| C4 | C3 | H10 | H11 | 119.8° | 120.0° |
| C4 | C3 | C2 | H12 | 175.0° | 59.9° |
| C4 | C3 | C2 | H13 | 53.3° | 180.0° |
| C2 | C1 | C7 | O9 | 15.3° | 120.0° |
| C2 | C1 | C7 | C6 | 118.5° | 120.0° |
| C2 | C1 | C7 | H3 | 124.2° | 120.1° |
| C2 | C1 | C6 | H3 | 119.7° | 120.0° |
| C2 | C1 | C7 | N8 | 167.8° | 60.3° |
| C2 | C1 | C6 | C5 | 63.5° | 60.0° |
| C2 | C1 | C6 | H4 | 176.4° | 180.0° |
| C2 | C1 | C6 | H5 | 56.6° | 60.0° |
| C1 | C2 | C3 | H10 | 174.0° | 60.0° |
| C1 | C2 | C3 | H11 | 54.2° | 180.0° |
| C1 | C2 | H12 | H13 | 122.6° | 119.9° |
| O9 | C7 | C1 | N8 | 176.9° | 179.7° |
| O9 | C7 | C1 | C6 | 103.2° | 0.0° |
| O9 | C7 | N8 | H1 | 0.0° | 0.0° |
| O9 | C7 | N8 | H2 | 180.0° | 180.0° |
| O9 | C7 | C1 | H3 | 139.5° | 120.0° |
| C4 | C5 | C6 | C1 | 55.0° | 60.0° |
| C4 | C5 | C6 | H6 | 120.3° | 120.0° |
| C4 | C5 | C6 | H7 | 120.3° | 120.0° |
| C4 | C5 | C6 | H4 | 175.1° | 180.0° |
| C4 | C5 | C6 | H5 | 65.1° | 60.0° |
| C4 | C5 | H6 | H7 | 119.2° | 120.0° |
| C5 | C4 | H8 | H9 | 119.8° | 120.0° |
| C5 | C4 | C3 | H10 | 179.9° | 60.0° |
| C5 | C4 | C3 | H11 | 60.3° | 180.0° |
| C7 | C1 | C6 | H3 | 117.7° | 120.0° |
| C7 | C1 | C6 | C5 | 173.9° | 180.0° |
| C1 | C7 | N8 | H1 | 176.7° | 179.7° |
| C1 | C7 | N8 | H2 | 3.3° | 0.3° |
| C7 | C1 | C6 | H4 | 53.8° | 60.0° |
| C7 | C1 | C6 | H5 | 66.0° | 60.0° |
| C7 | C1 | C2 | H12 | 58.0° | 60.0° |
| C7 | C1 | C2 | H13 | 63.8° | 60.0° |
| C6 | C1 | C7 | N8 | 73.7° | 179.7° |
| C1 | C6 | C5 | H4 | 120.1° | 120.1° |
| C1 | C6 | C5 | H5 | 120.1° | 120.0° |
| C1 | C6 | H4 | H5 | 119.6° | 120.0° |
| C1 | C6 | C5 | H6 | 175.3° | 60.0° |
| C1 | C6 | C5 | H7 | 65.3° | 180.0° |
| C6 | C1 | C2 | H12 | 173.8° | 60.0° |
| C6 | C1 | C2 | H13 | 52.0° | 180.0° |
| C7 | N8 | H1 | H2 | 180.0° | 180.0° |
| N8 | C7 | C1 | H3 | 43.6° | 59.8° |
| C5 | C6 | C1 | H3 | 56.2° | 60.0° |
| C5 | C6 | H4 | H5 | 119.7° | 119.9° |
| C6 | C5 | H6 | H7 | 119.2° | 120.0° |
| C6 | C5 | C4 | H8 | 67.1° | 180.0° |
| C6 | C5 | C4 | H9 | 173.0° | 60.0° |
| H3 | C1 | C6 | H4 | 63.9° | 60.0° |
| H3 | C1 | C6 | H5 | 176.3° | 180.0° |
| H3 | C1 | C2 | H12 | 66.5° | 180.0° |
| H3 | C1 | C2 | H13 | 171.7° | 60.0° |
| H4 | C6 | C5 | H6 | 64.6° | 60.1° |
| H4 | C6 | C5 | H7 | 54.8° | 59.9° |
| H5 | C6 | C5 | H6 | 55.2° | 180.0° |
| H5 | C6 | C5 | H7 | 174.6° | 60.0° |
| H6 | C5 | C4 | H8 | 53.2° | 60.0° |
| H6 | C5 | C4 | H9 | 66.7° | 180.0° |
| H7 | C5 | C4 | H8 | 172.6° | 60.0° |
| H7 | C5 | C4 | H9 | 52.8° | 60.0° |
| H8 | C4 | C3 | H10 | 59.8° | 60.0° |
| H8 | C4 | C3 | H11 | 179.6° | 60.1° |
| H9 | C4 | C3 | H10 | 60.1° | 180.0° |
| H9 | C4 | C3 | H11 | 59.8° | 60.0° |
| H10 | C3 | C2 | H12 | 54.9° | 179.9° |
| H10 | C3 | C2 | H13 | 66.8° | 60.0° |
| H11 | C3 | C2 | H12 | 64.9° | 60.0° |
| H11 | C3 | C2 | H13 | 173.3° | 60.1° |
