W0A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | doub | 1.37Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | N2 | sing | 1.36Å | 1.38Å | Aromatic |
| C11 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| N2 | C5 | doub | 1.30Å | 1.35Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | N1 | sing | 1.36Å | 1.32Å | Aromatic |
| C4 | N | sing | 1.46Å | 1.45Å | |
| N | C3 | sing | 1.35Å | 1.33Å | |
| O | C3 | doub | 1.21Å | 1.23Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.47Å | |
| C1 | C | sing | 1.53Å | 1.48Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| N | H14 | sing | 0.97Å | 1.00Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | C11 | 117.6° | 119.8° |
| C10 | C9 | C8 | 121.0° | 120.7° |
| C9 | C10 | H6 | 121.2° | 120.1° |
| C10 | C9 | H16 | 119.5° | 119.6° |
| C10 | C11 | N2 | 132.4° | 133.6° |
| C10 | C11 | C6 | 122.0° | 119.5° |
| C11 | C10 | H6 | 121.2° | 120.1° |
| C9 | C8 | C7 | 121.0° | 120.5° |
| C9 | C8 | H5 | 119.5° | 119.8° |
| C8 | C9 | H16 | 119.5° | 119.7° |
| N2 | C11 | C6 | 105.6° | 107.0° |
| C11 | N2 | C5 | 107.0° | 109.6° |
| C11 | C6 | C7 | 119.9° | 119.8° |
| C11 | C6 | N1 | 109.5° | 106.0° |
| N2 | C5 | C4 | 123.2° | 124.9° |
| N2 | C5 | N1 | 112.9° | 110.1° |
| C8 | C7 | C6 | 118.4° | 119.7° |
| C8 | C7 | H4 | 120.8° | 120.2° |
| C7 | C8 | H5 | 119.5° | 119.7° |
| C7 | C6 | N1 | 130.6° | 134.2° |
| C6 | C7 | H4 | 120.8° | 120.1° |
| C6 | N1 | C5 | 104.9° | 107.3° |
| C6 | N1 | H1 | 127.5° | 126.4° |
| C4 | C5 | N1 | 123.8° | 125.0° |
| C5 | C4 | N | 110.6° | 109.5° |
| C5 | C4 | H2 | 109.2° | 109.5° |
| C5 | C4 | H3 | 109.2° | 109.5° |
| C5 | N1 | H1 | 127.6° | 126.3° |
| C4 | N | C3 | 121.6° | 120.0° |
| N | C4 | H2 | 109.2° | 109.5° |
| N | C4 | H3 | 109.2° | 109.4° |
| C4 | N | H14 | 119.2° | 120.0° |
| N | C3 | O | 122.9° | 120.0° |
| N | C3 | C2 | 115.5° | 120.0° |
| C3 | N | H14 | 119.2° | 120.0° |
| O | C3 | C2 | 121.6° | 120.0° |
| C3 | C2 | C1 | 113.0° | 109.4° |
| C3 | C2 | H7 | 108.6° | 109.5° |
| C3 | C2 | H8 | 108.6° | 109.5° |
| C2 | C1 | C | 109.7° | 109.5° |
| C1 | C2 | H7 | 108.6° | 109.5° |
| C1 | C2 | H8 | 108.6° | 109.5° |
| C2 | C1 | H9 | 109.4° | 109.5° |
| C2 | C1 | H10 | 109.4° | 109.5° |
| C | C1 | H9 | 109.4° | 109.5° |
| C | C1 | H10 | 109.4° | 109.5° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H12 | 109.4° | 109.5° |
| C1 | C | H13 | 109.5° | 109.4° |
| H2 | C4 | H3 | 109.5° | 109.4° |
| H7 | C2 | H8 | 109.4° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H11 | C | H12 | 109.4° | 109.5° |
| H11 | C | H13 | 109.5° | 109.5° |
| H12 | C | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C11 | H6 | 180.0° | 179.6° |
| C10 | C9 | C8 | H16 | 180.0° | 179.6° |
| C9 | C10 | C11 | N2 | 177.9° | 179.6° |
| C9 | C10 | C11 | C6 | 0.9° | 0.4° |
| C10 | C9 | C8 | C7 | 0.2° | 0.1° |
| C10 | C9 | C8 | H5 | 179.8° | 179.8° |
| C11 | C10 | C9 | C8 | 0.5° | 0.4° |
| C10 | C11 | N2 | C6 | 178.9° | 180.0° |
| C10 | C11 | N2 | C5 | 179.3° | 180.0° |
| C10 | C11 | C6 | C7 | 0.7° | 0.2° |
| C10 | C11 | C6 | N1 | 179.7° | 179.8° |
| C11 | C10 | C9 | H16 | 179.5° | 180.0° |
| C9 | C8 | C7 | H5 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.4° | 0.1° |
| C9 | C8 | C7 | H4 | 179.7° | 180.0° |
| C8 | C9 | C10 | H6 | 179.5° | 180.0° |
| N2 | C11 | C6 | C7 | 178.3° | 179.8° |
| N2 | C11 | C6 | N1 | 0.7° | 0.2° |
| C11 | N2 | C5 | C4 | 178.6° | 179.8° |
| C11 | N2 | C5 | N1 | 0.1° | 0.1° |
| N2 | C11 | C10 | H6 | 2.1° | 0.0° |
| C6 | C11 | N2 | C5 | 0.4° | 0.0° |
| C11 | C6 | C7 | C8 | 0.1° | 0.0° |
| C11 | C6 | C7 | N1 | 178.8° | 180.0° |
| C11 | C6 | N1 | C5 | 0.7° | 0.2° |
| C11 | C6 | N1 | H1 | 179.3° | 179.9° |
| C11 | C6 | C7 | H4 | 179.9° | 179.9° |
| C6 | C11 | C10 | H6 | 179.1° | 180.0° |
| N2 | C5 | N1 | C6 | 0.5° | 0.2° |
| N2 | C5 | C4 | N1 | 178.5° | 180.0° |
| N2 | C5 | C4 | N | 172.8° | 85.0° |
| N2 | C5 | N1 | H1 | 179.6° | 179.9° |
| N2 | C5 | C4 | H2 | 67.0° | 35.1° |
| N2 | C5 | C4 | H3 | 52.6° | 155.0° |
| C8 | C7 | C6 | H4 | 180.0° | 179.9° |
| C8 | C7 | C6 | N1 | 178.8° | 179.9° |
| C7 | C8 | C9 | H16 | 179.8° | 179.8° |
| C7 | C6 | N1 | C5 | 178.2° | 179.7° |
| C7 | C6 | N1 | H1 | 1.8° | 0.1° |
| C6 | C7 | C8 | H5 | 179.6° | 180.0° |
| C6 | N1 | C5 | C4 | 178.2° | 179.7° |
| C6 | N1 | C5 | H1 | 180.0° | 179.8° |
| N1 | C6 | C7 | H4 | 1.2° | 0.0° |
| C5 | C4 | N | H2 | 120.2° | 120.1° |
| C5 | C4 | N | H3 | 120.2° | 120.0° |
| C5 | C4 | N | C3 | 97.4° | 180.0° |
| C4 | C5 | N1 | H1 | 1.8° | 0.1° |
| C5 | C4 | H2 | H3 | 119.5° | 120.0° |
| C5 | C4 | N | H14 | 82.6° | 0.0° |
| N1 | C5 | C4 | N | 8.7° | 95.0° |
| N1 | C5 | C4 | H2 | 111.5° | 145.0° |
| N1 | C5 | C4 | H3 | 128.9° | 25.0° |
| C4 | N | C3 | H14 | 180.0° | 180.0° |
| C4 | N | C3 | O | 2.2° | 0.0° |
| C4 | N | C3 | C2 | 179.9° | 180.0° |
| N | C4 | H2 | H3 | 119.5° | 120.0° |
| N | C3 | O | C2 | 177.5° | 180.0° |
| N | C3 | C2 | C1 | 142.7° | 180.0° |
| C3 | N | C4 | H2 | 22.8° | 60.0° |
| C3 | N | C4 | H3 | 142.4° | 60.0° |
| N | C3 | C2 | H7 | 96.8° | 60.0° |
| N | C3 | C2 | H8 | 22.2° | 60.0° |
| O | C3 | C2 | C1 | 39.6° | 0.0° |
| O | C3 | C2 | H7 | 80.9° | 120.0° |
| O | C3 | C2 | H8 | 160.1° | 120.0° |
| O | C3 | N | H14 | 177.8° | 180.0° |
| C3 | C2 | C1 | H7 | 120.5° | 120.0° |
| C3 | C2 | C1 | H8 | 120.5° | 120.0° |
| C3 | C2 | C1 | C | 103.3° | 180.0° |
| C3 | C2 | H7 | H8 | 118.4° | 120.0° |
| C3 | C2 | C1 | H9 | 136.7° | 60.0° |
| C3 | C2 | C1 | H10 | 16.8° | 60.0° |
| C2 | C3 | N | H14 | 0.1° | 0.1° |
| C2 | C1 | C | H9 | 120.0° | 120.0° |
| C2 | C1 | C | H10 | 120.0° | 120.0° |
| C1 | C2 | H7 | H8 | 118.4° | 120.0° |
| C2 | C1 | H9 | H10 | 119.9° | 120.0° |
| C2 | C1 | C | H11 | 180.0° | 60.0° |
| C2 | C1 | C | H12 | 60.0° | 60.1° |
| C2 | C1 | C | H13 | 60.0° | 180.0° |
| C | C1 | C2 | H7 | 17.3° | 60.0° |
| C | C1 | C2 | H8 | 136.2° | 60.0° |
| C | C1 | H9 | H10 | 119.9° | 120.0° |
| C1 | C | H11 | H12 | 120.0° | 120.1° |
| C1 | C | H11 | H13 | 120.0° | 119.9° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| H2 | C4 | N | H14 | 157.2° | 120.1° |
| H3 | C4 | N | H14 | 37.5° | 120.0° |
| H4 | C7 | C8 | H5 | 0.3° | 0.1° |
| H5 | C8 | C9 | H16 | 0.2° | 0.1° |
| H6 | C10 | C9 | H16 | 0.5° | 0.4° |
| H7 | C2 | C1 | H9 | 102.7° | 180.0° |
| H7 | C2 | C1 | H10 | 137.3° | 60.0° |
| H8 | C2 | C1 | H9 | 16.2° | 60.0° |
| H8 | C2 | C1 | H10 | 103.8° | 180.0° |
| H9 | C1 | C | H11 | 60.0° | 180.0° |
| H9 | C1 | C | H12 | 180.0° | 59.9° |
| H9 | C1 | C | H13 | 60.1° | 60.0° |
| H10 | C1 | C | H11 | 59.9° | 60.0° |
| H10 | C1 | C | H12 | 60.0° | 180.0° |
| H10 | C1 | C | H13 | 180.0° | 60.0° |
| H11 | C | H12 | H13 | 120.0° | 120.0° |
