W1M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.47Å | 1.46Å | |
| C1 | N | sing | 1.35Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.35Å | 1.36Å | Aromatic |
| N | N1 | sing | 1.28Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.42Å | 1.44Å | Aromatic |
| N1 | C3 | doub | 1.32Å | 1.35Å | Aromatic |
| C3 | C4 | sing | 1.48Å | 1.48Å | |
| C4 | O | doub | 1.22Å | 1.23Å | |
| C4 | N2 | sing | 1.35Å | 1.37Å | |
| N2 | C5 | sing | 1.40Å | 1.42Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C11 | sing | 1.48Å | 1.50Å | |
| C11 | O2 | doub | 1.21Å | 1.25Å | |
| C11 | O1 | sing | 1.35Å | 1.26Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| O1 | H5 | sing | 0.97Å | 0.95Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 127.6° | 124.9° |
| C | N | N1 | 119.2° | 124.9° |
| N | C | H9 | 109.5° | 109.4° |
| N | C | H10 | 109.5° | 109.4° |
| N | C | H11 | 109.5° | 109.4° |
| N | C1 | C2 | 106.7° | 107.2° |
| C1 | N | N1 | 113.2° | 110.2° |
| N | C1 | H8 | 126.7° | 126.4° |
| C1 | C2 | C3 | 104.9° | 105.5° |
| C1 | C2 | H7 | 127.6° | 127.2° |
| C2 | C1 | H8 | 126.7° | 126.3° |
| N | N1 | C3 | 103.7° | 110.1° |
| C2 | C3 | N1 | 111.5° | 107.0° |
| C2 | C3 | C4 | 128.2° | 126.5° |
| C3 | C2 | H7 | 127.5° | 127.3° |
| N1 | C3 | C4 | 120.1° | 126.5° |
| C3 | C4 | O | 120.6° | 120.0° |
| C3 | C4 | N2 | 116.3° | 120.0° |
| O | C4 | N2 | 123.0° | 120.0° |
| C4 | N2 | C5 | 127.1° | 120.0° |
| C4 | N2 | H6 | 116.5° | 120.0° |
| N2 | C5 | C6 | 118.6° | 120.0° |
| N2 | C5 | C10 | 121.7° | 120.0° |
| C5 | N2 | H6 | 116.5° | 120.0° |
| C5 | C6 | C7 | 120.1° | 120.2° |
| C6 | C5 | C10 | 119.7° | 120.0° |
| C5 | C6 | H1 | 120.0° | 119.9° |
| C6 | C7 | C8 | 120.2° | 120.2° |
| C7 | C6 | H1 | 120.0° | 119.9° |
| C6 | C7 | H2 | 119.9° | 119.8° |
| C5 | C10 | C9 | 120.1° | 119.8° |
| C5 | C10 | H4 | 119.9° | 120.1° |
| C7 | C8 | C9 | 120.3° | 120.0° |
| C8 | C7 | H2 | 119.9° | 119.9° |
| C7 | C8 | H3 | 119.8° | 120.0° |
| C10 | C9 | C8 | 119.6° | 119.8° |
| C10 | C9 | C11 | 120.0° | 120.1° |
| C9 | C10 | H4 | 120.0° | 120.1° |
| C8 | C9 | C11 | 120.3° | 120.1° |
| C9 | C8 | H3 | 119.8° | 120.0° |
| C9 | C11 | O2 | 117.5° | 120.0° |
| C9 | C11 | O1 | 117.6° | 120.0° |
| O2 | C11 | O1 | 124.9° | 120.1° |
| C11 | O1 | H5 | 109.5° | 117.0° |
| H9 | C | H10 | 109.4° | 109.5° |
| H9 | C | H11 | 109.5° | 109.5° |
| H10 | C | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | N1 | 178.3° | 180.0° |
| C | N | C1 | C2 | 177.6° | 180.0° |
| C | N | N1 | C3 | 177.9° | 180.0° |
| C | N | C1 | H8 | 2.4° | 0.1° |
| N | C | H9 | H10 | 120.0° | 120.0° |
| N | C | H9 | H11 | 120.0° | 120.0° |
| N | C | H10 | H11 | 120.0° | 120.0° |
| N | C1 | C2 | H8 | 180.0° | 179.9° |
| N | C1 | C2 | C3 | 0.5° | 0.0° |
| C1 | N | N1 | C3 | 0.6° | 0.1° |
| N | C1 | C2 | H7 | 179.5° | 180.0° |
| C1 | N | C | H9 | 178.2° | 90.0° |
| C1 | N | C | H10 | 61.8° | 150.0° |
| C1 | N | C | H11 | 58.2° | 30.0° |
| C2 | C1 | N | N1 | 0.7° | 0.1° |
| C1 | C2 | C3 | H7 | 180.0° | 180.0° |
| C1 | C2 | C3 | N1 | 0.1° | 0.0° |
| C1 | C2 | C3 | C4 | 174.7° | 179.9° |
| N | N1 | C3 | C2 | 0.3° | 0.1° |
| N | N1 | C3 | C4 | 174.8° | 180.0° |
| N1 | N | C1 | H8 | 179.3° | 180.0° |
| N1 | N | C | H9 | 0.0° | 90.0° |
| N1 | N | C | H10 | 120.0° | 30.0° |
| N1 | N | C | H11 | 120.0° | 150.0° |
| C2 | C3 | N1 | C4 | 175.1° | 179.9° |
| C2 | C3 | C4 | O | 175.6° | 0.1° |
| C2 | C3 | C4 | N2 | 8.3° | 179.9° |
| C3 | C2 | C1 | H8 | 179.5° | 179.9° |
| N1 | C3 | C4 | O | 10.2° | 180.0° |
| N1 | C3 | C4 | N2 | 165.9° | 0.0° |
| N1 | C3 | C2 | H7 | 179.8° | 179.9° |
| C3 | C4 | O | N2 | 175.9° | 180.0° |
| C3 | C4 | N2 | C5 | 173.2° | 175.4° |
| C3 | C4 | N2 | H6 | 6.8° | 4.6° |
| C4 | C3 | C2 | H7 | 5.2° | 0.0° |
| O | C4 | N2 | C5 | 10.8° | 4.6° |
| O | C4 | N2 | H6 | 169.3° | 175.5° |
| C4 | N2 | C5 | H6 | 180.0° | 179.9° |
| C4 | N2 | C5 | C6 | 49.0° | 144.6° |
| C4 | N2 | C5 | C10 | 129.8° | 35.1° |
| N2 | C5 | C6 | C10 | 178.8° | 179.7° |
| N2 | C5 | C6 | C7 | 178.0° | 179.7° |
| N2 | C5 | C10 | C9 | 178.9° | 179.7° |
| N2 | C5 | C6 | H1 | 2.0° | 0.4° |
| N2 | C5 | C10 | H4 | 1.0° | 0.3° |
| C5 | C6 | C7 | H1 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.6° | 0.0° |
| C6 | C5 | C10 | C9 | 0.1° | 0.1° |
| C5 | C6 | C7 | H2 | 179.4° | 180.0° |
| C6 | C5 | C10 | H4 | 179.8° | 180.0° |
| C6 | C5 | N2 | H6 | 131.0° | 35.3° |
| C7 | C6 | C5 | C10 | 0.8° | 0.0° |
| C6 | C7 | C8 | H2 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.6° | 0.0° |
| C6 | C7 | C8 | H3 | 179.4° | 180.0° |
| C5 | C10 | C9 | H4 | 180.0° | 180.0° |
| C5 | C10 | C9 | C8 | 1.3° | 0.0° |
| C5 | C10 | C9 | C11 | 175.2° | 179.9° |
| C10 | C5 | C6 | H1 | 179.2° | 180.0° |
| C10 | C5 | N2 | H6 | 50.2° | 145.0° |
| C7 | C8 | C9 | C10 | 1.5° | 0.0° |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C7 | C8 | C9 | C11 | 175.0° | 180.0° |
| C8 | C7 | C6 | H1 | 179.4° | 179.9° |
| C10 | C9 | C8 | C11 | 176.5° | 180.0° |
| C10 | C9 | C11 | O2 | 7.7° | 0.1° |
| C10 | C9 | C11 | O1 | 171.4° | 180.0° |
| C10 | C9 | C8 | H3 | 178.5° | 180.0° |
| C8 | C9 | C11 | O2 | 175.8° | 180.0° |
| C8 | C9 | C11 | O1 | 5.1° | 0.0° |
| C9 | C8 | C7 | H2 | 179.5° | 180.0° |
| C8 | C9 | C10 | H4 | 178.7° | 180.0° |
| C9 | C11 | O2 | O1 | 179.0° | 179.9° |
| C11 | C9 | C8 | H3 | 5.0° | 0.0° |
| C11 | C9 | C10 | H4 | 4.8° | 0.0° |
| C9 | C11 | O1 | H5 | 179.0° | 180.0° |
| O2 | C11 | O1 | H5 | 0.0° | 0.1° |
| H1 | C6 | C7 | H2 | 0.6° | 0.0° |
| H2 | C7 | C8 | H3 | 0.5° | 0.0° |
| H7 | C2 | C1 | H8 | 0.5° | 0.1° |
| H9 | C | H10 | H11 | 120.0° | 120.1° |
