WV1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C10 | sing | 1.53Å | 1.50Å | |
| C12 | C11 | sing | 1.53Å | 1.47Å | |
| N2 | C9 | sing | 1.35Å | 1.36Å | |
| N2 | C3 | sing | 1.40Å | 1.42Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.47Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C9 | O1 | doub | 1.21Å | 1.22Å | |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| N1 | C7 | sing | 1.47Å | 1.40Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| N1 | H7 | sing | 1.01Å | 1.00Å | |
| N1 | H6 | sing | 1.01Å | 1.00Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C12 | C11 | 60.7° | 60.0° |
| C12 | C10 | C9 | 117.7° | 117.5° |
| C12 | C10 | C11 | 58.6° | 60.0° |
| C12 | C10 | H12 | 116.4° | 117.5° |
| C10 | C12 | H15 | 119.9° | 117.5° |
| C10 | C12 | H16 | 119.9° | 117.5° |
| C12 | C11 | C10 | 60.7° | 60.0° |
| C12 | C11 | H13 | 119.9° | 117.5° |
| C12 | C11 | H14 | 119.9° | 117.5° |
| C11 | C12 | H15 | 119.9° | 117.5° |
| C11 | C12 | H16 | 119.9° | 117.5° |
| C9 | N2 | C3 | 126.7° | 120.0° |
| N2 | C9 | C10 | 113.5° | 120.0° |
| N2 | C9 | O1 | 123.4° | 120.0° |
| C9 | N2 | H11 | 116.7° | 120.0° |
| N2 | C3 | C4 | 117.5° | 120.1° |
| N2 | C3 | C2 | 123.2° | 120.1° |
| C3 | N2 | H11 | 116.6° | 120.0° |
| C3 | C4 | C5 | 120.2° | 119.9° |
| C4 | C3 | C2 | 119.3° | 119.8° |
| C3 | C4 | H3 | 119.9° | 120.0° |
| C4 | C5 | C6 | 121.1° | 120.1° |
| C5 | C4 | H3 | 120.0° | 120.1° |
| C4 | C5 | H4 | 119.4° | 120.0° |
| C9 | C10 | C11 | 117.8° | 117.5° |
| C10 | C9 | O1 | 122.9° | 120.0° |
| C9 | C10 | H12 | 117.1° | 115.6° |
| C10 | C11 | H13 | 119.9° | 117.5° |
| C10 | C11 | H14 | 119.9° | 117.5° |
| C11 | C10 | H12 | 116.4° | 117.5° |
| C3 | C2 | C1 | 120.1° | 120.0° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C5 | C6 | C1 | 118.3° | 120.2° |
| C5 | C6 | C7 | 120.5° | 119.9° |
| C6 | C5 | H4 | 119.4° | 120.0° |
| C2 | C1 | C6 | 121.1° | 120.0° |
| C2 | C1 | H1 | 119.4° | 120.0° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C1 | C6 | C7 | 121.2° | 119.9° |
| C6 | C1 | H1 | 119.5° | 120.0° |
| C6 | C7 | N1 | 112.3° | 109.5° |
| C6 | C7 | C8 | 112.6° | 109.5° |
| C6 | C7 | H5 | 106.7° | 109.5° |
| N1 | C7 | C8 | 110.0° | 109.4° |
| N1 | C7 | H5 | 108.2° | 109.4° |
| C7 | N1 | H7 | 109.5° | 111.0° |
| C7 | N1 | H6 | 109.5° | 110.9° |
| C8 | C7 | H5 | 106.7° | 109.5° |
| C7 | C8 | H10 | 109.5° | 109.5° |
| C7 | C8 | H8 | 109.4° | 109.5° |
| C7 | C8 | H9 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 115.5° |
| H10 | C8 | H8 | 109.5° | 109.4° |
| H10 | C8 | H9 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.4° |
| H15 | C12 | H16 | 109.5° | 115.5° |
| H7 | N1 | H6 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C12 | C11 | H15 | 109.7° | 107.5° |
| C10 | C12 | C11 | H16 | 109.7° | 107.5° |
| C12 | C10 | C9 | N2 | 108.0° | 111.4° |
| C12 | C10 | C9 | C11 | 67.2° | 68.6° |
| C12 | C10 | C9 | H12 | 146.4° | 145.7° |
| C12 | C10 | C11 | H12 | 106.2° | 107.4° |
| C12 | C10 | C9 | O1 | 76.4° | 68.6° |
| C10 | C12 | C11 | H13 | 109.7° | 107.5° |
| C10 | C12 | C11 | H14 | 109.6° | 107.5° |
| C10 | C12 | H15 | H16 | 144.4° | 145.7° |
| C12 | C11 | H13 | H14 | 144.4° | 145.7° |
| C11 | C12 | H15 | H16 | 144.3° | 145.7° |
| C9 | N2 | C3 | H11 | 180.0° | 180.0° |
| C9 | N2 | C3 | C4 | 152.0° | 146.7° |
| N2 | C9 | C10 | O1 | 175.6° | 180.0° |
| N2 | C9 | C10 | C11 | 175.2° | 180.0° |
| C9 | N2 | C3 | C2 | 24.8° | 33.3° |
| N2 | C9 | C10 | H12 | 38.4° | 34.3° |
| N2 | C3 | C4 | C2 | 176.9° | 180.0° |
| N2 | C3 | C4 | C5 | 178.7° | 180.0° |
| C3 | N2 | C9 | C10 | 141.8° | 174.7° |
| C3 | N2 | C9 | O1 | 33.8° | 5.3° |
| N2 | C3 | C2 | C1 | 178.8° | 179.9° |
| N2 | C3 | C4 | H3 | 1.2° | 0.2° |
| N2 | C3 | C2 | H2 | 1.1° | 0.0° |
| C3 | C4 | C5 | H3 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.9° | 0.0° |
| C4 | C3 | C2 | C1 | 2.1° | 0.1° |
| C3 | C4 | C5 | H4 | 179.1° | 179.9° |
| C4 | C3 | N2 | H11 | 28.0° | 33.3° |
| C4 | C3 | C2 | H2 | 177.8° | 180.0° |
| C5 | C4 | C3 | C2 | 1.8° | 0.0° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.1° | 0.1° |
| C4 | C5 | C6 | C7 | 179.3° | 180.0° |
| C9 | C10 | C11 | H12 | 146.7° | 145.1° |
| C9 | C10 | C11 | H13 | 143.2° | 0.0° |
| C9 | C10 | C11 | H14 | 2.5° | 145.0° |
| C9 | C10 | C12 | H15 | 143.1° | 0.0° |
| C9 | C10 | C12 | H16 | 2.4° | 145.0° |
| C10 | C9 | N2 | H11 | 38.2° | 5.3° |
| C11 | C10 | C9 | O1 | 9.2° | 0.0° |
| C10 | C11 | H13 | H14 | 144.4° | 145.6° |
| O1 | C9 | C10 | H12 | 137.3° | 145.7° |
| O1 | C9 | N2 | H11 | 146.2° | 174.7° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 1.4° | 0.0° |
| C2 | C3 | C4 | H3 | 178.1° | 179.8° |
| C2 | C3 | N2 | H11 | 155.2° | 146.7° |
| C3 | C2 | C1 | H1 | 178.6° | 179.9° |
| C5 | C6 | C1 | C2 | 0.4° | 0.0° |
| C5 | C6 | C1 | C7 | 179.4° | 179.9° |
| C5 | C6 | C7 | N1 | 111.9° | 140.1° |
| C5 | C6 | C7 | C8 | 123.2° | 100.0° |
| C6 | C5 | C4 | H3 | 179.1° | 179.8° |
| C5 | C6 | C7 | H5 | 6.4° | 20.1° |
| C5 | C6 | C1 | H1 | 179.6° | 180.0° |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C2 | C1 | C6 | C7 | 179.0° | 180.0° |
| C1 | C6 | C7 | N1 | 68.7° | 40.0° |
| C1 | C6 | C7 | C8 | 56.2° | 80.0° |
| C1 | C6 | C5 | H4 | 179.9° | 180.0° |
| C1 | C6 | C7 | H5 | 172.9° | 160.0° |
| C6 | C1 | C2 | H2 | 178.6° | 180.0° |
| C6 | C7 | N1 | C8 | 126.2° | 120.0° |
| C6 | C7 | N1 | H5 | 117.5° | 120.0° |
| C6 | C7 | C8 | H5 | 116.8° | 120.1° |
| C7 | C6 | C5 | H4 | 0.7° | 0.1° |
| C6 | C7 | C8 | H10 | 180.0° | 60.0° |
| C6 | C7 | C8 | H8 | 60.0° | 180.0° |
| C6 | C7 | C8 | H9 | 60.0° | 60.0° |
| C6 | C7 | N1 | H7 | 180.0° | 60.0° |
| C6 | C7 | N1 | H6 | 60.0° | 64.0° |
| C7 | C6 | C1 | H1 | 1.0° | 0.0° |
| N1 | C7 | C8 | H5 | 117.2° | 120.0° |
| N1 | C7 | C8 | H10 | 53.9° | 60.0° |
| N1 | C7 | C8 | H8 | 173.9° | 60.0° |
| N1 | C7 | C8 | H9 | 66.1° | 180.0° |
| C7 | N1 | H7 | H6 | 120.0° | 123.9° |
| C7 | C8 | H10 | H8 | 120.0° | 120.0° |
| C7 | C8 | H10 | H9 | 120.0° | 120.0° |
| C7 | C8 | H8 | H9 | 120.0° | 120.0° |
| C8 | C7 | N1 | H7 | 53.8° | 60.0° |
| C8 | C7 | N1 | H6 | 66.2° | 176.0° |
| H3 | C4 | C5 | H4 | 0.9° | 0.3° |
| H13 | C11 | C10 | H12 | 3.5° | 145.0° |
| H13 | C11 | C12 | H15 | 0.0° | 0.0° |
| H13 | C11 | C12 | H16 | 140.7° | 145.0° |
| H14 | C11 | C10 | H12 | 144.2° | 0.1° |
| H14 | C11 | C12 | H15 | 140.7° | 145.1° |
| H14 | C11 | C12 | H16 | 0.1° | 0.0° |
| H5 | C7 | C8 | H10 | 63.3° | 179.9° |
| H5 | C7 | C8 | H8 | 56.8° | 59.9° |
| H5 | C7 | C8 | H9 | 176.7° | 60.0° |
| H5 | C7 | N1 | H7 | 62.5° | 180.0° |
| H5 | C7 | N1 | H6 | 177.5° | 56.0° |
| H10 | C8 | H8 | H9 | 120.0° | 120.0° |
| H12 | C10 | C12 | H15 | 3.5° | 145.0° |
| H12 | C10 | C12 | H16 | 144.2° | 0.0° |
| H1 | C1 | C2 | H2 | 1.5° | 0.0° |
