80W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C01 | sing | 1.35Å | 1.33Å | |
| O07 | C02 | doub | 1.22Å | 1.25Å | |
| C01 | C02 | sing | 1.48Å | 1.52Å | |
| C01 | C12 | doub | 1.36Å | 1.38Å | |
| C02 | C03 | sing | 1.41Å | 1.47Å | |
| C12 | C06 | sing | 1.42Å | 1.47Å | |
| C03 | C04 | doub | 1.35Å | 1.32Å | |
| C06 | C05 | sing | 1.48Å | 1.53Å | |
| C06 | O11 | doub | 1.22Å | 1.23Å | |
| C04 | C05 | sing | 1.47Å | 1.42Å | |
| C04 | C09 | sing | 1.51Å | 1.54Å | |
| C05 | C10 | doub | 1.36Å | 1.35Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| O08 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | C01 | C02 | 113.9° | 115.4° |
| O08 | C01 | C12 | 118.0° | 115.4° |
| C01 | O08 | H12 | 109.5° | 114.0° |
| O07 | C02 | C01 | 117.8° | 115.4° |
| O07 | C02 | C03 | 121.0° | 115.4° |
| C02 | C01 | C12 | 125.9° | 129.2° |
| C01 | C02 | C03 | 121.1° | 129.2° |
| C01 | C12 | C06 | 127.9° | 128.5° |
| C01 | C12 | H10 | 116.1° | 115.8° |
| C02 | C03 | C04 | 124.0° | 129.0° |
| C02 | C03 | H2 | 118.0° | 115.4° |
| C12 | C06 | C05 | 126.3° | 128.0° |
| C12 | C06 | O11 | 117.8° | 116.0° |
| C06 | C12 | H10 | 116.0° | 115.8° |
| C03 | C04 | C05 | 122.2° | 128.3° |
| C03 | C04 | C09 | 114.8° | 115.9° |
| C04 | C03 | H2 | 118.0° | 115.5° |
| C05 | C06 | O11 | 115.9° | 116.0° |
| C06 | C05 | C04 | 126.0° | 127.9° |
| C06 | C05 | C10 | 116.3° | 116.1° |
| C05 | C04 | C09 | 112.6° | 115.8° |
| C04 | C05 | C10 | 115.9° | 116.0° |
| C04 | C09 | H5 | 109.5° | 109.5° |
| C04 | C09 | H6 | 109.4° | 109.5° |
| C04 | C09 | H7 | 109.4° | 109.5° |
| C05 | C10 | H8 | 120.0° | 120.0° |
| C05 | C10 | H9 | 120.0° | 120.0° |
| H5 | C09 | H6 | 109.5° | 109.5° |
| H5 | C09 | H7 | 109.5° | 109.5° |
| H6 | C09 | H7 | 109.5° | 109.5° |
| H8 | C10 | H9 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C01 | C02 | O07 | 14.8° | 0.4° |
| O08 | C01 | C02 | C12 | 163.0° | 179.6° |
| O08 | C01 | C02 | C03 | 162.7° | 179.7° |
| O08 | C01 | C12 | C06 | 173.1° | 179.7° |
| O08 | C01 | C12 | H10 | 6.9° | 0.3° |
| O07 | C02 | C01 | C03 | 177.5° | 180.0° |
| O07 | C02 | C01 | C12 | 177.8° | 180.0° |
| O07 | C02 | C03 | C04 | 129.1° | 180.0° |
| O07 | C02 | C03 | H2 | 50.9° | 0.0° |
| C02 | C01 | C12 | C06 | 24.6° | 0.1° |
| C01 | C02 | C03 | C04 | 53.4° | 0.0° |
| C01 | C02 | C03 | H2 | 126.6° | 180.0° |
| C02 | C01 | C12 | H10 | 155.4° | 179.9° |
| C02 | C01 | O08 | H12 | 6.9° | 180.0° |
| C12 | C01 | C02 | C03 | 0.3° | 0.1° |
| C01 | C12 | C06 | H10 | 180.0° | 179.9° |
| C01 | C12 | C06 | C05 | 6.4° | 0.1° |
| C01 | C12 | C06 | O11 | 174.6° | 179.9° |
| C12 | C01 | O08 | H12 | 171.3° | 0.3° |
| C02 | C03 | C04 | H2 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 63.7° | 0.1° |
| C02 | C03 | C04 | C09 | 153.9° | 180.0° |
| C12 | C06 | C05 | O11 | 179.0° | 180.0° |
| C12 | C06 | C05 | C04 | 8.9° | 0.0° |
| C12 | C06 | C05 | C10 | 172.6° | 179.9° |
| C03 | C04 | C05 | C06 | 21.5° | 0.1° |
| C03 | C04 | C05 | C09 | 143.2° | 179.9° |
| C03 | C04 | C05 | C10 | 142.3° | 180.0° |
| C03 | C04 | C09 | H5 | 180.0° | 0.0° |
| C03 | C04 | C09 | H6 | 60.0° | 120.0° |
| C03 | C04 | C09 | H7 | 60.0° | 120.0° |
| C06 | C05 | C04 | C10 | 163.8° | 180.0° |
| C06 | C05 | C04 | C09 | 164.7° | 180.0° |
| C06 | C05 | C10 | H8 | 165.4° | 180.0° |
| C06 | C05 | C10 | H9 | 14.6° | 0.0° |
| C05 | C06 | C12 | H10 | 173.5° | 180.0° |
| O11 | C06 | C05 | C04 | 170.2° | 180.0° |
| O11 | C06 | C05 | C10 | 6.4° | 0.0° |
| O11 | C06 | C12 | H10 | 5.5° | 0.0° |
| C05 | C04 | C03 | H2 | 116.3° | 179.9° |
| C05 | C04 | C09 | H5 | 34.0° | 180.0° |
| C05 | C04 | C09 | H6 | 86.1° | 60.1° |
| C05 | C04 | C09 | H7 | 154.0° | 59.9° |
| C04 | C05 | C10 | H8 | 0.0° | 0.0° |
| C04 | C05 | C10 | H9 | 180.0° | 180.0° |
| C09 | C04 | C05 | C10 | 0.9° | 0.1° |
| C09 | C04 | C03 | H2 | 26.1° | 0.0° |
| C04 | C09 | H5 | H6 | 120.0° | 120.0° |
| C04 | C09 | H5 | H7 | 120.0° | 120.0° |
| C04 | C09 | H6 | H7 | 120.0° | 120.0° |
| C05 | C10 | H8 | H9 | 180.0° | 180.0° |
| H5 | C09 | H6 | H7 | 120.0° | 120.0° |
