SWO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | sing | 1.53Å | 1.47Å | |
| C12 | C11 | sing | 1.53Å | 1.48Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.48Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C10 | C09 | sing | 1.53Å | 1.49Å | |
| C09 | C08 | sing | 1.53Å | 1.49Å | |
| C08 | C07 | sing | 1.53Å | 1.48Å | |
| C07 | C03 | sing | 1.51Å | 1.48Å | |
| N04 | C03 | doub | 1.32Å | 1.24Å | Aromatic |
| N04 | C05 | sing | 1.32Å | 1.28Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.33Å | Aromatic |
| O17 | C05 | sing | 1.36Å | 1.38Å | |
| C05 | C06 | doub | 1.39Å | 1.36Å | Aromatic |
| C02 | C01 | doub | 1.39Å | 1.33Å | Aromatic |
| C06 | C01 | sing | 1.39Å | 1.36Å | Aromatic |
| C01 | O16 | sing | 1.36Å | 1.39Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| O16 | H23 | sing | 0.97Å | 0.95Å | |
| O17 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 104.4° | 109.5° |
| C12 | C13 | C14 | 108.0° | 109.5° |
| C12 | C13 | H3 | 109.8° | 109.5° |
| C12 | C13 | H4 | 109.8° | 109.5° |
| C13 | C12 | H19 | 110.7° | 109.5° |
| C13 | C12 | H20 | 110.7° | 109.5° |
| C12 | C11 | C10 | 114.5° | 109.5° |
| C12 | C11 | H17 | 108.2° | 109.5° |
| C12 | C11 | H18 | 108.2° | 109.5° |
| C11 | C12 | H19 | 110.7° | 109.4° |
| C11 | C12 | H20 | 110.7° | 109.5° |
| C15 | C14 | C13 | 110.7° | 109.5° |
| C14 | C15 | H5 | 109.5° | 109.4° |
| C14 | C15 | H6 | 109.5° | 109.5° |
| C14 | C15 | H7 | 109.5° | 109.5° |
| C15 | C14 | H21 | 109.2° | 109.5° |
| C15 | C14 | H22 | 109.2° | 109.5° |
| C14 | C13 | H3 | 109.9° | 109.5° |
| C14 | C13 | H4 | 109.8° | 109.4° |
| C13 | C14 | H21 | 109.1° | 109.5° |
| C13 | C14 | H22 | 109.1° | 109.5° |
| C11 | C10 | C09 | 110.5° | 109.5° |
| C11 | C10 | H1 | 109.2° | 109.5° |
| C11 | C10 | H2 | 109.2° | 109.5° |
| C10 | C11 | H17 | 108.2° | 109.5° |
| C10 | C11 | H18 | 108.2° | 109.5° |
| C10 | C09 | C08 | 113.5° | 109.5° |
| C09 | C10 | H1 | 109.2° | 109.5° |
| C09 | C10 | H2 | 109.2° | 109.5° |
| C10 | C09 | H15 | 108.4° | 109.4° |
| C10 | C09 | H16 | 108.5° | 109.5° |
| C09 | C08 | C07 | 111.6° | 109.5° |
| C09 | C08 | H13 | 109.0° | 109.5° |
| C09 | C08 | H14 | 108.9° | 109.5° |
| C08 | C09 | H15 | 108.5° | 109.5° |
| C08 | C09 | H16 | 108.5° | 109.5° |
| C08 | C07 | C03 | 122.6° | 109.5° |
| C08 | C07 | H11 | 106.1° | 109.5° |
| C08 | C07 | H12 | 106.1° | 109.4° |
| C07 | C08 | H13 | 108.9° | 109.5° |
| C07 | C08 | H14 | 108.9° | 109.4° |
| C07 | C03 | N04 | 123.4° | 119.5° |
| C07 | C03 | C02 | 114.8° | 119.6° |
| C03 | C07 | H11 | 106.1° | 109.5° |
| C03 | C07 | H12 | 106.1° | 109.4° |
| C03 | N04 | C05 | 122.8° | 121.8° |
| N04 | C03 | C02 | 121.4° | 120.9° |
| N04 | C05 | O17 | 120.0° | 119.7° |
| N04 | C05 | C06 | 119.5° | 120.7° |
| C03 | C02 | C01 | 119.4° | 119.2° |
| C03 | C02 | H8 | 120.3° | 120.4° |
| O17 | C05 | C06 | 120.5° | 119.6° |
| C05 | O17 | H24 | 109.5° | 113.9° |
| C05 | C06 | C01 | 118.0° | 119.0° |
| C05 | C06 | H9 | 121.0° | 120.5° |
| C02 | C01 | C06 | 118.3° | 118.4° |
| C02 | C01 | O16 | 122.2° | 120.8° |
| C01 | C02 | H8 | 120.3° | 120.4° |
| C06 | C01 | O16 | 119.5° | 120.8° |
| C01 | C06 | H9 | 121.0° | 120.5° |
| C01 | O16 | H23 | 109.5° | 114.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.4° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H5 | C15 | H7 | 109.5° | 109.4° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H11 | C07 | H12 | 109.5° | 109.5° |
| H13 | C08 | H14 | 109.4° | 109.5° |
| H15 | C09 | H16 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H19 | 119.2° | 120.0° |
| C13 | C12 | C11 | H20 | 119.2° | 120.0° |
| C12 | C13 | C14 | C15 | 178.3° | 180.0° |
| C12 | C13 | C14 | H3 | 119.8° | 120.1° |
| C12 | C13 | C14 | H4 | 119.8° | 120.0° |
| C13 | C12 | C11 | C10 | 113.4° | 180.0° |
| C12 | C13 | H3 | H4 | 120.7° | 120.0° |
| C13 | C12 | C11 | H17 | 7.4° | 60.0° |
| C13 | C12 | C11 | H18 | 125.9° | 60.0° |
| C13 | C12 | H19 | H20 | 122.4° | 120.0° |
| C12 | C13 | C14 | H21 | 58.1° | 59.9° |
| C12 | C13 | C14 | H22 | 61.5° | 60.0° |
| C11 | C12 | C13 | C14 | 171.3° | 180.0° |
| C12 | C11 | C10 | H17 | 120.7° | 120.0° |
| C12 | C11 | C10 | H18 | 120.8° | 120.0° |
| C12 | C11 | C10 | C09 | 178.7° | 180.0° |
| C12 | C11 | C10 | H1 | 58.6° | 60.0° |
| C12 | C11 | C10 | H2 | 61.2° | 60.0° |
| C11 | C12 | C13 | H3 | 51.5° | 59.9° |
| C11 | C12 | C13 | H4 | 69.0° | 60.0° |
| C12 | C11 | H17 | H18 | 117.7° | 120.0° |
| C11 | C12 | H19 | H20 | 122.3° | 120.0° |
| C15 | C14 | C13 | H21 | 120.2° | 120.0° |
| C15 | C14 | C13 | H22 | 120.2° | 120.0° |
| C15 | C14 | C13 | H3 | 58.6° | 60.0° |
| C15 | C14 | C13 | H4 | 61.9° | 59.9° |
| C14 | C15 | H5 | H6 | 120.0° | 119.9° |
| C14 | C15 | H5 | H7 | 120.0° | 120.0° |
| C14 | C15 | H6 | H7 | 120.0° | 120.1° |
| C15 | C14 | H21 | H22 | 119.5° | 119.9° |
| C14 | C13 | H3 | H4 | 120.7° | 119.9° |
| C13 | C14 | C15 | H5 | 180.0° | 60.0° |
| C13 | C14 | C15 | H6 | 60.0° | 60.0° |
| C13 | C14 | C15 | H7 | 60.0° | 180.0° |
| C14 | C13 | C12 | H19 | 52.1° | 60.0° |
| C14 | C13 | C12 | H20 | 69.6° | 60.0° |
| C13 | C14 | H21 | H22 | 119.4° | 120.0° |
| C11 | C10 | C09 | H1 | 120.2° | 120.0° |
| C11 | C10 | C09 | H2 | 120.2° | 120.0° |
| C11 | C10 | C09 | C08 | 176.4° | 180.0° |
| C11 | C10 | H1 | H2 | 119.6° | 120.0° |
| C11 | C10 | C09 | H15 | 55.8° | 60.0° |
| C11 | C10 | C09 | H16 | 63.0° | 60.0° |
| C10 | C11 | H17 | H18 | 117.7° | 120.0° |
| C10 | C11 | C12 | H19 | 127.4° | 60.0° |
| C10 | C11 | C12 | H20 | 5.8° | 60.0° |
| C10 | C09 | C08 | H15 | 120.6° | 120.0° |
| C10 | C09 | C08 | H16 | 120.6° | 120.0° |
| C10 | C09 | C08 | C07 | 91.4° | 180.0° |
| C09 | C10 | H1 | H2 | 119.5° | 120.0° |
| C10 | C09 | C08 | H13 | 148.2° | 60.0° |
| C10 | C09 | C08 | H14 | 28.9° | 60.0° |
| C10 | C09 | H15 | H16 | 118.2° | 120.0° |
| C09 | C10 | C11 | H17 | 60.6° | 60.0° |
| C09 | C10 | C11 | H18 | 57.9° | 60.0° |
| C09 | C08 | C07 | H13 | 120.4° | 120.0° |
| C09 | C08 | C07 | H14 | 120.3° | 120.0° |
| C09 | C08 | C07 | C03 | 118.0° | 180.0° |
| C08 | C09 | C10 | H1 | 63.5° | 60.0° |
| C08 | C09 | C10 | H2 | 56.2° | 60.1° |
| C09 | C08 | C07 | H11 | 120.2° | 59.9° |
| C09 | C08 | C07 | H12 | 3.8° | 60.1° |
| C09 | C08 | H13 | H14 | 119.0° | 120.0° |
| C08 | C09 | H15 | H16 | 118.2° | 120.0° |
| C08 | C07 | C03 | H11 | 121.8° | 120.1° |
| C08 | C07 | C03 | H12 | 121.8° | 119.9° |
| C08 | C07 | C03 | N04 | 41.6° | 55.1° |
| C08 | C07 | C03 | C02 | 146.4° | 125.0° |
| C08 | C07 | H11 | H12 | 114.1° | 120.0° |
| C07 | C08 | H13 | H14 | 119.0° | 119.9° |
| C07 | C08 | C09 | H15 | 29.2° | 60.1° |
| C07 | C08 | C09 | H16 | 147.9° | 60.0° |
| C07 | C03 | N04 | C02 | 171.5° | 179.9° |
| C07 | C03 | N04 | C05 | 178.8° | 180.0° |
| C07 | C03 | C02 | C01 | 179.7° | 179.9° |
| C07 | C03 | C02 | H8 | 0.3° | 0.0° |
| C03 | C07 | H11 | H12 | 114.1° | 120.0° |
| C03 | C07 | C08 | H13 | 2.4° | 60.0° |
| C03 | C07 | C08 | H14 | 121.7° | 60.0° |
| C03 | N04 | C05 | O17 | 173.9° | 180.0° |
| C03 | N04 | C05 | C06 | 6.6° | 0.2° |
| N04 | C03 | C02 | C01 | 8.0° | 0.0° |
| N04 | C03 | C02 | H8 | 172.0° | 179.9° |
| N04 | C03 | C07 | H11 | 80.2° | 65.0° |
| N04 | C03 | C07 | H12 | 163.4° | 175.0° |
| C05 | N04 | C03 | C02 | 9.7° | 0.1° |
| N04 | C05 | O17 | C06 | 179.6° | 179.8° |
| N04 | C05 | C06 | C01 | 1.9° | 0.5° |
| N04 | C05 | C06 | H9 | 178.1° | 180.0° |
| N04 | C05 | O17 | H24 | 0.0° | 90.0° |
| C03 | C02 | C01 | H8 | 180.0° | 179.9° |
| C03 | C02 | C01 | C06 | 3.5° | 0.3° |
| C03 | C02 | C01 | O16 | 177.6° | 180.0° |
| C02 | C03 | C07 | H11 | 91.8° | 114.9° |
| C02 | C03 | C07 | H12 | 24.6° | 5.0° |
| O17 | C05 | C06 | C01 | 178.5° | 179.6° |
| O17 | C05 | C06 | H9 | 1.5° | 0.2° |
| C05 | C06 | C01 | C02 | 0.6° | 0.6° |
| C05 | C06 | C01 | H9 | 180.0° | 179.4° |
| C05 | C06 | C01 | O16 | 179.6° | 179.8° |
| C06 | C05 | O17 | H24 | 179.6° | 89.8° |
| C02 | C01 | C06 | O16 | 179.0° | 179.7° |
| C02 | C01 | C06 | H9 | 179.4° | 180.0° |
| C02 | C01 | O16 | H23 | 180.0° | 90.0° |
| C06 | C01 | C02 | H8 | 176.5° | 179.8° |
| C06 | C01 | O16 | H23 | 1.1° | 90.3° |
| O16 | C01 | C02 | H8 | 2.4° | 0.1° |
| O16 | C01 | C06 | H9 | 0.4° | 0.3° |
| H1 | C10 | C09 | H15 | 175.9° | 60.0° |
| H1 | C10 | C09 | H16 | 57.1° | 180.0° |
| H1 | C10 | C11 | H17 | 179.3° | NaN° |
| H1 | C10 | C11 | H18 | 62.2° | 60.0° |
| H2 | C10 | C09 | H15 | 64.4° | 180.0° |
| H2 | C10 | C09 | H16 | 176.8° | 60.0° |
| H2 | C10 | C11 | H17 | 59.6° | 60.0° |
| H2 | C10 | C11 | H18 | 178.0° | 179.9° |
| H3 | C13 | C12 | H19 | 67.7° | 60.0° |
| H3 | C13 | C12 | H20 | 170.6° | 180.0° |
| H3 | C13 | C14 | H21 | 61.7° | NaN° |
| H3 | C13 | C14 | H22 | 178.8° | 60.1° |
| H4 | C13 | C12 | H19 | 171.9° | 179.9° |
| H4 | C13 | C12 | H20 | 50.2° | 60.0° |
| H4 | C13 | C14 | H21 | 177.9° | 60.1° |
| H4 | C13 | C14 | H22 | 58.3° | 180.0° |
| H5 | C15 | H6 | H7 | 120.0° | 120.0° |
| H5 | C15 | C14 | H21 | 59.8° | 180.0° |
| H5 | C15 | C14 | H22 | 59.8° | 60.1° |
| H6 | C15 | C14 | H21 | 60.2° | 60.1° |
| H6 | C15 | C14 | H22 | 179.8° | 180.0° |
| H7 | C15 | C14 | H21 | 179.8° | 60.0° |
| H7 | C15 | C14 | H22 | 60.2° | 59.9° |
| H11 | C07 | C08 | H13 | 119.4° | 180.0° |
| H11 | C07 | C08 | H14 | 0.1° | 60.1° |
| H12 | C07 | C08 | H13 | 124.2° | 60.0° |
| H12 | C07 | C08 | H14 | 116.5° | 180.0° |
| H13 | C08 | C09 | H15 | 91.2° | 60.0° |
| H13 | C08 | C09 | H16 | 27.6° | 180.0° |
| H14 | C08 | C09 | H15 | 149.5° | 180.0° |
| H14 | C08 | C09 | H16 | 91.7° | 60.0° |
| H17 | C11 | C12 | H19 | 111.8° | 60.0° |
| H17 | C11 | C12 | H20 | 126.5° | 180.0° |
| H18 | C11 | C12 | H19 | 6.7° | 180.0° |
| H18 | C11 | C12 | H20 | 115.0° | 60.0° |
