WV3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.51Å | 1.56Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| O | C4 | doub | 1.21Å | 1.20Å | |
| C4 | C5 | sing | 1.51Å | 1.56Å | |
| C | C1 | sing | 1.53Å | 1.56Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C5 | C7 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C1 | C6 | sing | 1.53Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | O3 | sing | 1.43Å | 1.39Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| O1 | C11 | doub | 1.21Å | 1.18Å | |
| C8 | C9 | sing | 1.53Å | 1.49Å | |
| C11 | N | sing | 1.34Å | 1.41Å | |
| C9 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| N | C12 | sing | 1.34Å | 1.41Å | |
| C12 | O2 | doub | 1.21Å | 1.18Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| O3 | H17 | sing | 0.97Å | 0.95Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C3 | C4 | 109.6° | 109.6° |
| C14 | C3 | C2 | 109.5° | 109.6° |
| C14 | C3 | H4 | 106.6° | 109.7° |
| C3 | C14 | H20 | 109.5° | 109.5° |
| C3 | C14 | H19 | 109.4° | 109.5° |
| C3 | C14 | H18 | 109.4° | 109.5° |
| C4 | C3 | C2 | 117.8° | 108.6° |
| C3 | C4 | O | 122.5° | 120.9° |
| C3 | C4 | C5 | 113.6° | 118.3° |
| C4 | C3 | H4 | 106.2° | 109.6° |
| C3 | C2 | C1 | 117.8° | 109.4° |
| C3 | C2 | H2 | 107.4° | 109.4° |
| C3 | C2 | H3 | 107.4° | 109.5° |
| C2 | C3 | H4 | 106.5° | 109.6° |
| O | C4 | C5 | 123.9° | 120.8° |
| C4 | C5 | C7 | 110.8° | 109.6° |
| C4 | C5 | C6 | 115.2° | 108.6° |
| C4 | C5 | H5 | 107.4° | 109.6° |
| C | C1 | C2 | 107.8° | 109.3° |
| C | C1 | C6 | 107.6° | 109.4° |
| C | C1 | H1 | 108.7° | 109.4° |
| C1 | C | H21 | 109.5° | 109.5° |
| C1 | C | H22 | 109.4° | 109.5° |
| C1 | C | H23 | 109.5° | 109.5° |
| C2 | C1 | C6 | 113.8° | 109.8° |
| C2 | C1 | H1 | 109.3° | 109.4° |
| C1 | C2 | H2 | 107.4° | 109.5° |
| C1 | C2 | H3 | 107.4° | 109.5° |
| C7 | C5 | C6 | 107.3° | 109.6° |
| C5 | C7 | C8 | 107.7° | 109.5° |
| C5 | C7 | O3 | 109.5° | 109.5° |
| C7 | C5 | H5 | 107.9° | 109.6° |
| C5 | C7 | H16 | 109.4° | 109.5° |
| C5 | C6 | C1 | 111.0° | 109.4° |
| C6 | C5 | H5 | 107.9° | 109.8° |
| C5 | C6 | H7 | 109.1° | 109.5° |
| C5 | C6 | H6 | 109.1° | 109.5° |
| C6 | C1 | H1 | 109.4° | 109.4° |
| C1 | C6 | H7 | 109.1° | 109.5° |
| C1 | C6 | H6 | 109.1° | 109.5° |
| C8 | C7 | O3 | 109.5° | 109.5° |
| C7 | C8 | C9 | 111.2° | 109.5° |
| C7 | C8 | H14 | 109.1° | 109.5° |
| C7 | C8 | H15 | 109.1° | 109.4° |
| C8 | C7 | H16 | 109.4° | 109.5° |
| O3 | C7 | H16 | 111.3° | 109.5° |
| C7 | O3 | H17 | 109.5° | 114.0° |
| C11 | C10 | C9 | 116.7° | 109.2° |
| C10 | C11 | O1 | 123.0° | 119.4° |
| C10 | C11 | N | 114.2° | 121.2° |
| C11 | C10 | H9 | 107.6° | 109.5° |
| C11 | C10 | H10 | 107.6° | 109.5° |
| C10 | C9 | C8 | 110.1° | 109.6° |
| C10 | C9 | C13 | 106.9° | 108.7° |
| C9 | C10 | H9 | 107.7° | 109.5° |
| C9 | C10 | H10 | 107.7° | 109.5° |
| C10 | C9 | H13 | 109.7° | 109.6° |
| O1 | C11 | N | 122.8° | 119.4° |
| C8 | C9 | C13 | 109.9° | 109.7° |
| C8 | C9 | H13 | 110.4° | 109.8° |
| C9 | C8 | H14 | 109.0° | 109.5° |
| C9 | C8 | H15 | 109.1° | 109.5° |
| C11 | N | C12 | 121.6° | 122.6° |
| C11 | N | H8 | 119.2° | 118.7° |
| C9 | C13 | C12 | 111.4° | 109.3° |
| C9 | C13 | H11 | 109.0° | 109.5° |
| C9 | C13 | H12 | 109.0° | 109.3° |
| C13 | C9 | H13 | 109.7° | 109.4° |
| C13 | C12 | N | 111.7° | 121.3° |
| C13 | C12 | O2 | 124.4° | 119.3° |
| C12 | C13 | H11 | 109.0° | 109.6° |
| C12 | C13 | H12 | 109.0° | 109.5° |
| N | C12 | O2 | 123.9° | 119.4° |
| C12 | N | H8 | 119.2° | 118.7° |
| H2 | C2 | H3 | 109.4° | 109.5° |
| H7 | C6 | H6 | 109.5° | 109.6° |
| H9 | C10 | H10 | 109.4° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.4° | 109.5° |
| H20 | C14 | H19 | 109.5° | 109.4° |
| H20 | C14 | H18 | 109.5° | 109.4° |
| H19 | C14 | H18 | 109.5° | 109.5° |
| H21 | C | H22 | 109.5° | 109.5° |
| H21 | C | H23 | 109.4° | 109.4° |
| H22 | C | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C3 | C4 | C2 | 126.0° | 119.8° |
| C14 | C3 | C4 | H4 | 114.8° | 120.5° |
| C14 | C3 | C2 | H4 | 114.9° | 120.5° |
| C14 | C3 | C4 | O | 80.6° | 8.8° |
| C14 | C3 | C4 | C5 | 100.8° | 171.1° |
| C14 | C3 | C2 | C1 | 100.6° | 174.4° |
| C14 | C3 | C2 | H2 | 138.2° | 54.4° |
| C14 | C3 | C2 | H3 | 20.6° | 65.6° |
| C3 | C14 | H20 | H19 | 120.0° | 120.0° |
| C3 | C14 | H20 | H18 | 120.0° | 120.0° |
| C3 | C14 | H19 | H18 | 119.9° | 120.1° |
| C4 | C3 | C2 | H4 | 119.0° | 119.8° |
| C3 | C4 | O | C5 | 178.4° | 179.9° |
| C4 | C3 | C2 | C1 | 25.4° | 54.6° |
| C3 | C4 | C5 | C7 | 136.7° | 171.0° |
| C3 | C4 | C5 | C6 | 14.7° | 51.3° |
| C4 | C3 | C2 | H2 | 95.8° | 65.3° |
| C4 | C3 | C2 | H3 | 146.6° | 174.6° |
| C3 | C4 | C5 | H5 | 105.6° | 68.6° |
| C4 | C3 | C14 | H20 | 180.0° | 60.0° |
| C4 | C3 | C14 | H19 | 60.0° | 180.0° |
| C4 | C3 | C14 | H18 | 60.0° | 59.9° |
| C2 | C3 | C4 | O | 153.4° | 128.6° |
| C2 | C3 | C4 | C5 | 25.2° | 51.3° |
| C3 | C2 | C1 | C | 134.8° | 176.4° |
| C3 | C2 | C1 | H2 | 121.2° | 119.9° |
| C3 | C2 | C1 | H3 | 121.2° | 120.0° |
| C3 | C2 | C1 | C6 | 15.6° | 63.6° |
| C3 | C2 | C1 | H1 | 107.1° | 56.5° |
| C3 | C2 | H2 | H3 | 116.2° | 120.1° |
| C2 | C3 | C14 | H20 | 49.4° | 59.1° |
| C2 | C3 | C14 | H19 | 169.4° | 60.9° |
| C2 | C3 | C14 | H18 | 70.6° | 179.0° |
| O | C4 | C5 | C7 | 44.8° | 8.9° |
| O | C4 | C5 | C6 | 166.8° | 128.6° |
| O | C4 | C3 | H4 | 34.2° | 111.6° |
| O | C4 | C5 | H5 | 72.9° | 111.5° |
| C4 | C5 | C7 | C6 | 126.5° | 119.1° |
| C4 | C5 | C7 | H5 | 117.4° | 120.3° |
| C4 | C5 | C6 | H5 | 120.1° | 119.8° |
| C4 | C5 | C6 | C1 | 55.5° | 54.6° |
| C4 | C5 | C7 | C8 | 142.2° | 174.8° |
| C4 | C5 | C7 | O3 | 98.8° | 65.2° |
| C5 | C4 | C3 | H4 | 144.4° | 68.5° |
| C4 | C5 | C6 | H7 | 64.7° | 174.5° |
| C4 | C5 | C6 | H6 | 175.7° | 65.3° |
| C4 | C5 | C7 | H16 | 23.3° | 54.8° |
| C | C1 | C2 | C6 | 119.3° | 120.1° |
| C | C1 | C2 | H1 | 118.0° | 119.8° |
| C | C1 | C6 | C5 | 175.0° | 176.4° |
| C | C1 | C6 | H1 | 118.0° | 119.8° |
| C | C1 | C2 | H2 | 103.9° | 63.8° |
| C | C1 | C2 | H3 | 13.6° | 56.3° |
| C | C1 | C6 | H7 | 54.8° | 56.4° |
| C | C1 | C6 | H6 | 64.8° | 63.7° |
| C1 | C | H21 | H22 | 120.0° | 120.0° |
| C1 | C | H21 | H23 | 120.0° | 120.0° |
| C1 | C | H22 | H23 | 120.0° | 120.0° |
| C2 | C1 | C6 | C5 | 55.6° | 63.6° |
| C2 | C1 | C6 | H1 | 122.6° | 120.1° |
| C1 | C2 | H2 | H3 | 116.2° | 120.1° |
| C1 | C2 | C3 | H4 | 144.5° | 65.2° |
| C2 | C1 | C6 | H7 | 64.6° | 176.5° |
| C2 | C1 | C6 | H6 | 175.8° | 56.3° |
| C2 | C1 | C | H21 | 180.0° | 179.7° |
| C2 | C1 | C | H22 | 60.0° | 59.6° |
| C2 | C1 | C | H23 | 60.0° | 60.4° |
| C7 | C5 | C6 | H5 | 116.1° | 120.5° |
| C7 | C5 | C6 | C1 | 179.3° | 174.3° |
| C5 | C7 | C8 | O3 | 119.0° | 120.0° |
| C5 | C7 | C8 | H16 | 118.8° | 120.0° |
| C5 | C7 | O3 | H16 | 121.0° | 120.0° |
| C5 | C7 | C8 | C9 | 176.3° | 173.4° |
| C7 | C5 | C6 | H7 | 59.1° | 65.7° |
| C7 | C5 | C6 | H6 | 60.4° | 54.4° |
| C5 | C7 | C8 | H14 | 56.0° | 66.6° |
| C5 | C7 | C8 | H15 | 63.4° | 53.4° |
| C5 | C7 | O3 | H17 | 180.0° | 60.0° |
| C5 | C6 | C1 | H7 | 120.2° | 119.9° |
| C5 | C6 | C1 | H6 | 120.2° | 119.9° |
| C6 | C5 | C7 | C8 | 91.3° | 66.1° |
| C6 | C5 | C7 | O3 | 27.7° | 53.9° |
| C5 | C6 | C1 | H1 | 67.0° | 56.5° |
| C5 | C6 | H7 | H6 | 119.3° | 120.1° |
| C6 | C5 | C7 | H16 | 149.9° | 173.9° |
| C6 | C1 | C2 | H2 | 136.8° | 56.3° |
| C6 | C1 | C2 | H3 | 105.6° | 176.4° |
| C1 | C6 | C5 | H5 | 64.6° | 65.1° |
| C1 | C6 | H7 | H6 | 119.3° | 120.1° |
| C6 | C1 | C | H21 | 56.8° | 60.0° |
| C6 | C1 | C | H22 | 176.8° | 180.0° |
| C6 | C1 | C | H23 | 63.1° | 60.0° |
| C8 | C7 | O3 | H16 | 121.1° | 120.0° |
| C7 | C8 | C9 | C10 | 60.4° | 175.0° |
| C7 | C8 | C9 | H14 | 120.3° | 120.0° |
| C7 | C8 | C9 | H15 | 120.3° | 120.0° |
| C7 | C8 | C9 | C13 | 177.9° | 65.7° |
| C8 | C7 | C5 | H5 | 24.8° | 54.5° |
| C7 | C8 | C9 | H13 | 60.9° | 54.5° |
| C7 | C8 | H14 | H15 | 119.2° | 120.0° |
| C8 | C7 | O3 | H17 | 62.1° | 60.0° |
| O3 | C7 | C8 | C9 | 64.8° | 66.6° |
| O3 | C7 | C5 | H5 | 143.8° | 174.5° |
| O3 | C7 | C8 | H14 | 175.0° | 53.4° |
| O3 | C7 | C8 | H15 | 55.5° | 173.4° |
| C11 | C10 | C9 | H9 | 121.0° | 119.9° |
| C11 | C10 | C9 | H10 | 121.1° | 119.9° |
| C10 | C11 | O1 | N | 179.2° | 180.0° |
| C11 | C10 | C9 | C8 | 140.5° | 175.3° |
| C11 | C10 | C9 | C13 | 21.2° | 55.5° |
| C10 | C11 | N | C12 | 40.2° | 0.5° |
| C10 | C11 | N | H8 | 139.9° | 179.4° |
| C11 | C10 | H9 | H10 | 116.7° | 120.1° |
| C11 | C10 | C9 | H13 | 97.8° | 64.1° |
| C9 | C10 | C11 | O1 | 154.3° | 150.9° |
| C10 | C9 | C8 | C13 | 117.5° | 119.3° |
| C10 | C9 | C8 | H13 | 121.3° | 120.5° |
| C9 | C10 | C11 | N | 26.4° | 29.1° |
| C10 | C9 | C13 | H13 | 119.0° | 119.7° |
| C10 | C9 | C13 | C12 | 60.2° | 55.3° |
| C9 | C10 | H9 | H10 | 116.7° | 120.2° |
| C10 | C9 | C13 | H11 | 60.1° | 175.4° |
| C10 | C9 | C13 | H12 | 179.5° | 64.6° |
| C10 | C9 | C8 | H14 | 59.9° | 65.0° |
| C10 | C9 | C8 | H15 | 179.3° | 55.0° |
| O1 | C11 | N | C12 | 140.6° | 179.4° |
| O1 | C11 | N | H8 | 39.4° | 0.6° |
| O1 | C11 | C10 | H9 | 33.3° | 89.2° |
| O1 | C11 | C10 | H10 | 84.6° | 30.9° |
| C8 | C9 | C13 | H13 | 121.6° | 120.5° |
| C8 | C9 | C13 | C12 | 179.6° | 175.1° |
| C8 | C9 | C10 | H9 | 19.5° | 55.4° |
| C8 | C9 | C10 | H10 | 98.4° | 64.7° |
| C8 | C9 | C13 | H11 | 59.3° | 64.8° |
| C8 | C9 | C13 | H12 | 60.1° | 55.2° |
| C9 | C8 | H14 | H15 | 119.2° | 120.1° |
| C9 | C8 | C7 | H16 | 57.4° | 53.4° |
| C11 | N | C12 | C13 | 1.2° | 0.3° |
| C11 | N | C12 | H8 | 180.0° | 180.0° |
| C11 | N | C12 | O2 | 179.7° | 179.5° |
| N | C11 | C10 | H9 | 147.5° | 90.9° |
| N | C11 | C10 | H10 | 94.6° | 149.0° |
| C9 | C13 | C12 | H11 | 120.3° | 120.0° |
| C9 | C13 | C12 | H12 | 120.3° | 119.8° |
| C9 | C13 | C12 | N | 51.2° | 28.7° |
| C9 | C13 | C12 | O2 | 127.9° | 151.1° |
| C13 | C9 | C10 | H9 | 99.9° | 64.5° |
| C13 | C9 | C10 | H10 | 142.2° | 175.4° |
| C9 | C13 | H11 | H12 | 119.1° | 119.9° |
| C13 | C9 | C8 | H14 | 57.7° | 54.2° |
| C13 | C9 | C8 | H15 | 61.8° | 174.3° |
| C13 | C12 | N | O2 | 179.1° | 179.7° |
| C13 | C12 | N | H8 | 178.8° | 179.7° |
| C12 | C13 | H11 | H12 | 119.1° | 120.2° |
| C12 | C13 | C9 | H13 | 58.8° | 64.4° |
| N | C12 | C13 | H11 | 69.1° | 148.7° |
| N | C12 | C13 | H12 | 171.5° | 91.1° |
| O2 | C12 | N | H8 | 0.3° | 0.6° |
| O2 | C12 | C13 | H11 | 111.8° | 31.0° |
| O2 | C12 | C13 | H12 | 7.6° | 89.2° |
| H1 | C1 | C2 | H2 | 14.1° | 176.4° |
| H1 | C1 | C2 | H3 | 131.7° | 63.5° |
| H1 | C1 | C6 | H7 | 172.8° | 63.4° |
| H1 | C1 | C6 | H6 | 53.2° | 176.5° |
| H1 | C1 | C | H21 | 61.6° | 59.9° |
| H1 | C1 | C | H22 | 58.4° | 60.2° |
| H1 | C1 | C | H23 | 178.4° | 179.8° |
| H2 | C2 | C3 | H4 | 23.3° | 174.9° |
| H3 | C2 | C3 | H4 | 94.3° | 54.9° |
| H4 | C3 | C14 | H20 | 65.4° | 179.5° |
| H4 | C3 | C14 | H19 | 54.5° | 59.6° |
| H4 | C3 | C14 | H18 | 174.5° | 60.5° |
| H5 | C5 | C6 | H7 | 175.2° | 54.8° |
| H5 | C5 | C6 | H6 | 55.7° | 174.9° |
| H5 | C5 | C7 | H16 | 94.0° | 65.5° |
| H9 | C10 | C9 | H13 | 141.2° | 176.0° |
| H10 | C10 | C9 | H13 | 23.3° | 55.8° |
| H11 | C13 | C9 | H13 | 179.1° | 55.7° |
| H12 | C13 | C9 | H13 | 61.5° | 175.7° |
| H13 | C9 | C8 | H14 | 178.9° | 174.5° |
| H13 | C9 | C8 | H15 | 59.4° | 65.4° |
| H14 | C8 | C7 | H16 | 62.8° | 173.4° |
| H15 | C8 | C7 | H16 | 177.7° | 66.6° |
| H16 | C7 | O3 | H17 | 59.0° | 180.0° |
| H20 | C14 | H19 | H18 | 120.1° | 119.9° |
| H21 | C | H22 | H23 | 120.0° | 120.0° |
