W0V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| N1 | C5 | sing | 1.36Å | 1.32Å | Aromatic |
| C9 | C10 | doub | 1.37Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | N2 | sing | 1.36Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | N2 | doub | 1.30Å | 1.35Å | Aromatic |
| C4 | N | sing | 1.47Å | 1.45Å | |
| N | C3 | sing | 1.35Å | 1.34Å | |
| O | C3 | doub | 1.21Å | 1.23Å | |
| C3 | C1 | sing | 1.51Å | 1.55Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| 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 | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | 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) |
| C8 | C7 | C6 | 118.5° | 119.7° |
| C7 | C8 | C9 | 121.1° | 120.4° |
| C8 | C7 | H4 | 120.8° | 120.1° |
| C7 | C8 | H5 | 119.4° | 119.8° |
| C7 | C6 | N1 | 130.7° | 134.1° |
| C7 | C6 | C11 | 119.8° | 119.8° |
| C6 | C7 | H4 | 120.7° | 120.2° |
| C8 | C9 | C10 | 120.9° | 120.7° |
| C9 | C8 | H5 | 119.5° | 119.7° |
| C8 | C9 | H16 | 119.6° | 119.7° |
| N1 | C6 | C11 | 109.5° | 106.0° |
| C6 | N1 | C5 | 104.8° | 107.3° |
| C6 | N1 | H1 | 127.6° | 126.4° |
| C6 | C11 | C10 | 122.0° | 119.5° |
| C6 | C11 | N2 | 105.6° | 106.9° |
| N1 | C5 | C4 | 124.3° | 124.9° |
| N1 | C5 | N2 | 112.9° | 110.1° |
| C5 | N1 | H1 | 127.6° | 126.4° |
| C9 | C10 | C11 | 117.7° | 119.8° |
| C9 | C10 | H6 | 121.2° | 120.0° |
| C10 | C9 | H16 | 119.5° | 119.7° |
| C10 | C11 | N2 | 132.4° | 133.6° |
| C11 | C10 | H6 | 121.2° | 120.1° |
| C11 | N2 | C5 | 107.1° | 109.6° |
| C4 | C5 | N2 | 122.8° | 124.9° |
| C5 | C4 | N | 110.4° | 109.4° |
| C5 | C4 | H2 | 109.2° | 109.5° |
| C5 | C4 | H3 | 109.2° | 109.5° |
| C4 | N | C3 | 121.8° | 120.0° |
| N | C4 | H2 | 109.3° | 109.4° |
| N | C4 | H3 | 109.2° | 109.5° |
| C4 | N | H14 | 119.1° | 120.0° |
| N | C3 | O | 122.3° | 120.0° |
| N | C3 | C1 | 116.0° | 120.0° |
| C3 | N | H14 | 119.1° | 120.0° |
| O | C3 | C1 | 121.7° | 120.0° |
| C3 | C1 | C | 111.2° | 109.4° |
| C3 | C1 | C2 | 109.5° | 109.5° |
| C3 | C1 | H7 | 108.0° | 109.5° |
| C | C1 | C2 | 111.5° | 109.5° |
| C | C1 | H7 | 108.1° | 109.4° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H12 | 109.5° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C2 | C1 | H7 | 108.5° | 109.5° |
| C1 | C2 | H8 | 109.5° | 109.4° |
| C1 | C2 | H9 | 109.5° | 109.5° |
| C1 | C2 | H10 | 109.5° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H8 | C2 | H9 | 109.5° | 109.5° |
| H8 | C2 | H10 | 109.4° | 109.5° |
| H9 | C2 | H10 | 109.5° | 109.4° |
| H11 | C | H12 | 109.4° | 109.4° |
| 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) |
| C8 | C7 | C6 | H4 | 180.0° | 179.9° |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C8 | C7 | C6 | N1 | 179.0° | 180.0° |
| C8 | C7 | C6 | C11 | 1.0° | 0.0° |
| C7 | C8 | C9 | C10 | 0.3° | 0.0° |
| C7 | C8 | C9 | H16 | 179.7° | 180.0° |
| C6 | C7 | C8 | C9 | 0.3° | 0.0° |
| C7 | C6 | N1 | C11 | 180.0° | 180.0° |
| C7 | C6 | N1 | C5 | 179.4° | 180.0° |
| C7 | C6 | C11 | C10 | 1.2° | 0.0° |
| C7 | C6 | C11 | N2 | 179.3° | 179.8° |
| C7 | C6 | N1 | H1 | 0.6° | 0.2° |
| C6 | C7 | C8 | H5 | 179.7° | 180.0° |
| C8 | C9 | C10 | H16 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C9 | C8 | C7 | H4 | 179.7° | 180.0° |
| C8 | C9 | C10 | H6 | 179.8° | 180.0° |
| C6 | N1 | C5 | H1 | 180.0° | 179.8° |
| N1 | C6 | C11 | C10 | 178.8° | 180.0° |
| N1 | C6 | C11 | N2 | 0.7° | 0.2° |
| C6 | N1 | C5 | C4 | 179.7° | 179.8° |
| C6 | N1 | C5 | N2 | 0.3° | 0.2° |
| N1 | C6 | C7 | H4 | 1.0° | 0.0° |
| C11 | C6 | N1 | C5 | 0.6° | 0.0° |
| C6 | C11 | C10 | C9 | 0.5° | 0.0° |
| C6 | C11 | C10 | N2 | 179.4° | 179.7° |
| C6 | C11 | N2 | C5 | 0.5° | 0.4° |
| C11 | C6 | N1 | H1 | 179.4° | 179.8° |
| C11 | C6 | C7 | H4 | 179.0° | 180.0° |
| C6 | C11 | C10 | H6 | 179.4° | 180.0° |
| N1 | C5 | N2 | C11 | 0.2° | 0.4° |
| N1 | C5 | C4 | N2 | 180.0° | 180.0° |
| N1 | C5 | C4 | N | 173.7° | 95.0° |
| N1 | C5 | C4 | H2 | 66.2° | 145.1° |
| N1 | C5 | C4 | H3 | 53.6° | 25.0° |
| C9 | C10 | C11 | H6 | 180.0° | 180.0° |
| C9 | C10 | C11 | N2 | 180.0° | 179.7° |
| C10 | C9 | C8 | H5 | 179.7° | 180.0° |
| C10 | C11 | N2 | C5 | 178.9° | 179.9° |
| C11 | C10 | C9 | H16 | 179.8° | 180.0° |
| C11 | N2 | C5 | C4 | 179.8° | 179.6° |
| N2 | C11 | C10 | H6 | 0.0° | 0.3° |
| C5 | C4 | N | H2 | 120.1° | 120.0° |
| C5 | C4 | N | H3 | 120.1° | 120.0° |
| C5 | C4 | N | C3 | 96.3° | 180.0° |
| C4 | C5 | N1 | H1 | 0.3° | 0.0° |
| C5 | C4 | H2 | H3 | 119.6° | 120.0° |
| C5 | C4 | N | H14 | 83.6° | 0.0° |
| N2 | C5 | C4 | N | 6.3° | 85.0° |
| N2 | C5 | N1 | H1 | 179.7° | 180.0° |
| N2 | C5 | C4 | H2 | 113.8° | 35.0° |
| N2 | C5 | C4 | H3 | 126.5° | 155.0° |
| C4 | N | C3 | H14 | 180.0° | 180.0° |
| C4 | N | C3 | O | 0.4° | 0.0° |
| C4 | N | C3 | C1 | 179.0° | 180.0° |
| N | C4 | H2 | H3 | 119.6° | 120.0° |
| N | C3 | O | C1 | 179.4° | 180.0° |
| N | C3 | C1 | C | 77.6° | 180.0° |
| N | C3 | C1 | C2 | 158.7° | 60.0° |
| C3 | N | C4 | H2 | 23.8° | 60.0° |
| C3 | N | C4 | H3 | 143.5° | 60.0° |
| N | C3 | C1 | H7 | 40.8° | 60.0° |
| O | C3 | C1 | C | 101.8° | 0.0° |
| O | C3 | C1 | C2 | 21.9° | 120.0° |
| O | C3 | C1 | H7 | 139.8° | 120.0° |
| O | C3 | N | H14 | 179.6° | 180.0° |
| C3 | C1 | C | C2 | 122.5° | 120.1° |
| C3 | C1 | C | H7 | 118.4° | 120.0° |
| C3 | C1 | C2 | H7 | 117.6° | 120.1° |
| C3 | C1 | C2 | H8 | 180.0° | 60.0° |
| C3 | C1 | C2 | H9 | 60.0° | 180.0° |
| C3 | C1 | C2 | H10 | 60.0° | 60.0° |
| C3 | C1 | C | H11 | 180.0° | 60.0° |
| C3 | C1 | C | H12 | 60.0° | 180.0° |
| C3 | C1 | C | H13 | 60.0° | 60.1° |
| C1 | C3 | N | H14 | 1.0° | 0.0° |
| C | C1 | C2 | H7 | 118.9° | 119.9° |
| C | C1 | C2 | H8 | 56.5° | 60.0° |
| C | C1 | C2 | H9 | 176.5° | 60.0° |
| C | C1 | C2 | H10 | 63.5° | 180.0° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H13 | 120.0° | 120.0° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| C1 | C2 | H8 | H9 | 120.0° | 120.0° |
| C1 | C2 | H8 | H10 | 120.0° | 120.0° |
| C1 | C2 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | C | H11 | 57.5° | 179.9° |
| C2 | C1 | C | H12 | 62.5° | 60.0° |
| C2 | C1 | C | H13 | 177.5° | 60.0° |
| H2 | C4 | N | H14 | 156.2° | 120.0° |
| H3 | C4 | N | H14 | 36.5° | 120.0° |
| H4 | C7 | C8 | H5 | 0.3° | 0.0° |
| H5 | C8 | C9 | H16 | 0.3° | 0.0° |
| H6 | C10 | C9 | H16 | 0.1° | 0.0° |
| H7 | C1 | C2 | H8 | 62.4° | 179.9° |
| H7 | C1 | C2 | H9 | 57.6° | 59.9° |
| H7 | C1 | C2 | H10 | 177.6° | 60.1° |
| H7 | C1 | C | H11 | 61.7° | 60.0° |
| H7 | C1 | C | H12 | 178.4° | 60.0° |
| H7 | C1 | C | H13 | 58.3° | 179.9° |
| H8 | C2 | H9 | H10 | 119.9° | 120.0° |
| H11 | C | H12 | H13 | 120.0° | 120.1° |
