WW2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.60Å | |
| C1 | C6 | sing | 1.53Å | 1.60Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| P1 | F1 | sing | 1.67Å | 1.45Å | |
| O1 | P1 | doub | 1.48Å | 1.46Å | |
| O2 | P1 | sing | 1.61Å | 1.67Å | |
| P1 | C7 | sing | 1.82Å | 1.80Å | |
| C2 | C3 | sing | 1.53Å | 1.59Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| O2 | C6 | sing | 1.43Å | 1.48Å | |
| C3 | C4 | sing | 1.53Å | 1.59Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C5 | C4 | sing | 1.53Å | 1.58Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | C5 | sing | 1.53Å | 1.60Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 112.1° | 109.4° |
| C2 | C1 | H1 | 108.6° | 109.5° |
| C2 | C1 | H1A | 108.6° | 109.4° |
| C1 | C2 | C3 | 112.4° | 109.5° |
| C1 | C2 | H2 | 108.5° | 109.4° |
| C1 | C2 | H2A | 108.5° | 109.4° |
| C6 | C1 | H1 | 108.6° | 109.5° |
| C6 | C1 | H1A | 108.6° | 109.5° |
| C1 | C6 | O2 | 107.1° | 109.5° |
| C1 | C6 | C5 | 107.3° | 109.5° |
| C1 | C6 | H6 | 114.1° | 109.5° |
| H1 | C1 | H1A | 110.3° | 109.5° |
| F1 | P1 | O1 | 85.5° | 109.4° |
| F1 | P1 | O2 | 136.7° | 109.5° |
| F1 | P1 | C7 | 99.6° | 109.5° |
| O1 | P1 | O2 | 106.1° | 109.5° |
| O1 | P1 | C7 | 105.5° | 109.5° |
| O2 | P1 | C7 | 116.1° | 109.5° |
| P1 | O2 | C6 | 120.9° | 123.0° |
| P1 | C7 | H7 | 109.5° | 109.4° |
| P1 | C7 | H7A | 109.4° | 109.4° |
| P1 | C7 | H7B | 109.4° | 109.5° |
| C3 | C2 | H2 | 108.5° | 109.4° |
| C3 | C2 | H2A | 108.5° | 109.5° |
| C2 | C3 | C4 | 111.9° | 109.5° |
| C2 | C3 | H3 | 108.7° | 109.5° |
| C2 | C3 | H3A | 108.7° | 109.5° |
| H2 | C2 | H2A | 110.4° | 109.5° |
| O2 | C6 | C5 | 113.9° | 109.5° |
| O2 | C6 | H6 | 107.5° | 109.4° |
| C4 | C3 | H3 | 108.7° | 109.4° |
| C4 | C3 | H3A | 108.7° | 109.5° |
| C3 | C4 | C5 | 110.9° | 109.5° |
| C3 | C4 | H4 | 109.0° | 109.5° |
| C3 | C4 | H4A | 109.0° | 109.4° |
| H3 | C3 | H3A | 110.2° | 109.5° |
| C5 | C4 | H4 | 109.0° | 109.5° |
| C5 | C4 | H4A | 109.0° | 109.5° |
| C4 | C5 | C6 | 111.3° | 109.4° |
| C4 | C5 | H5 | 108.8° | 109.5° |
| C4 | C5 | H5A | 108.8° | 109.4° |
| H4 | C4 | H4A | 110.0° | 109.5° |
| C6 | C5 | H5 | 108.9° | 109.5° |
| C6 | C5 | H5A | 108.8° | 109.5° |
| C5 | C6 | H6 | 107.2° | 109.5° |
| H5 | C5 | H5A | 110.1° | 109.6° |
| H7 | C7 | H7A | 109.4° | 109.5° |
| H7 | C7 | H7B | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 120.0° | 120.0° |
| C2 | C1 | C6 | H1A | 120.0° | 119.9° |
| C2 | C1 | H1 | H1A | 118.9° | 120.0° |
| C1 | C2 | C3 | H2 | 120.0° | 119.9° |
| C1 | C2 | C3 | H2A | 120.0° | 120.0° |
| C1 | C2 | H2 | H2A | 118.8° | 120.0° |
| C2 | C1 | C6 | O2 | 179.6° | 180.0° |
| C1 | C2 | C3 | C4 | 50.1° | 60.0° |
| C1 | C2 | C3 | H3 | 69.9° | 59.9° |
| C1 | C2 | C3 | H3A | 170.2° | 180.0° |
| C2 | C1 | C6 | C5 | 57.8° | 60.0° |
| C2 | C1 | C6 | H6 | 60.8° | 60.1° |
| C6 | C1 | H1 | H1A | 118.9° | 120.1° |
| C1 | C6 | O2 | P1 | 133.6° | 120.0° |
| C6 | C1 | C2 | C3 | 53.8° | 60.0° |
| C6 | C1 | C2 | H2 | 173.8° | 180.0° |
| C6 | C1 | C2 | H2A | 66.2° | 60.0° |
| C1 | C6 | O2 | C5 | 118.4° | 120.0° |
| C1 | C6 | O2 | H6 | 123.0° | 120.0° |
| C1 | C6 | C5 | C4 | 61.0° | 60.0° |
| C1 | C6 | C5 | H6 | 122.9° | 120.0° |
| C1 | C6 | C5 | H5 | 59.0° | 59.9° |
| C1 | C6 | C5 | H5A | 179.1° | 180.0° |
| H1 | C1 | C2 | C3 | 173.8° | 180.0° |
| H1 | C1 | C2 | H2 | 66.2° | 60.0° |
| H1 | C1 | C2 | H2A | 53.8° | 60.0° |
| H1 | C1 | C6 | O2 | 59.6° | 60.0° |
| H1 | C1 | C6 | C5 | 177.8° | 180.0° |
| H1 | C1 | C6 | H6 | 59.2° | 59.9° |
| H1A | C1 | C2 | C3 | 66.2° | 60.0° |
| H1A | C1 | C2 | H2 | 53.8° | 60.0° |
| H1A | C1 | C2 | H2A | 173.8° | NaN° |
| H1A | C1 | C6 | O2 | 60.4° | 60.1° |
| H1A | C1 | C6 | C5 | 62.2° | 59.9° |
| H1A | C1 | C6 | H6 | 179.2° | 180.0° |
| F1 | P1 | O1 | O2 | 137.5° | 120.0° |
| F1 | P1 | O1 | C7 | 98.8° | 120.0° |
| F1 | P1 | O2 | C7 | 142.3° | 120.0° |
| F1 | P1 | O2 | C6 | 119.7° | 60.0° |
| F1 | P1 | C7 | H7 | 180.0° | 180.0° |
| F1 | P1 | C7 | H7A | 60.0° | 60.0° |
| F1 | P1 | C7 | H7B | 60.0° | 60.0° |
| O1 | P1 | O2 | C7 | 116.9° | 120.0° |
| O1 | P1 | O2 | C6 | 139.6° | 60.0° |
| O1 | P1 | C7 | H7 | 92.1° | 60.0° |
| O1 | P1 | C7 | H7A | 148.0° | 180.0° |
| O1 | P1 | C7 | H7B | 27.9° | 60.0° |
| P1 | O2 | C6 | C5 | 108.0° | 120.0° |
| P1 | O2 | C6 | H6 | 10.6° | 0.0° |
| O2 | P1 | C7 | H7 | 25.2° | 60.0° |
| O2 | P1 | C7 | H7A | 94.8° | 60.0° |
| O2 | P1 | C7 | H7B | 145.2° | 180.0° |
| C7 | P1 | O2 | C6 | 22.7° | 180.0° |
| P1 | C7 | H7 | H7A | 120.0° | 119.9° |
| P1 | C7 | H7 | H7B | 120.0° | 120.0° |
| P1 | C7 | H7A | H7B | 120.0° | 120.0° |
| C3 | C2 | H2 | H2A | 118.8° | 120.1° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3A | 119.0° | 120.0° |
| C2 | C3 | C4 | C5 | 52.8° | 60.0° |
| C2 | C3 | C4 | H4 | 172.8° | 180.0° |
| C2 | C3 | C4 | H4A | 67.1° | 60.0° |
| H2 | C2 | C3 | C4 | 170.1° | 180.0° |
| H2 | C2 | C3 | H3 | 50.1° | 60.0° |
| H2 | C2 | C3 | H3A | 69.8° | 60.0° |
| H2A | C2 | C3 | C4 | 69.9° | 60.0° |
| H2A | C2 | C3 | H3 | 170.1° | 179.9° |
| H2A | C2 | C3 | H3A | 50.1° | 60.0° |
| O2 | C6 | C5 | C4 | 179.3° | 180.0° |
| O2 | C6 | C5 | H6 | 118.8° | 120.0° |
| O2 | C6 | C5 | H5 | 59.3° | 60.1° |
| O2 | C6 | C5 | H5A | 60.8° | 60.0° |
| C4 | C3 | H3 | H3A | 119.0° | 120.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4A | 119.4° | 120.0° |
| C3 | C4 | C5 | C6 | 59.5° | 60.0° |
| C3 | C4 | C5 | H5 | 60.5° | 60.0° |
| C3 | C4 | C5 | H5A | 179.5° | 180.0° |
| H3 | C3 | C4 | C5 | 67.1° | 60.0° |
| H3 | C3 | C4 | H4 | 52.9° | 60.0° |
| H3 | C3 | C4 | H4A | 172.9° | 180.0° |
| H3A | C3 | C4 | C5 | 172.9° | 180.0° |
| H3A | C3 | C4 | H4 | 67.1° | 60.0° |
| H3A | C3 | C4 | H4A | 52.9° | 60.0° |
| C5 | C4 | H4 | H4A | 119.4° | 120.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 120.0° | 120.0° |
| C4 | C5 | H5 | H5A | 119.2° | 120.0° |
| C4 | C5 | C6 | H6 | 62.0° | 60.0° |
| H4 | C4 | C5 | C6 | 179.5° | 180.0° |
| H4 | C4 | C5 | H5 | 59.5° | 60.1° |
| H4 | C4 | C5 | H5A | 60.5° | 60.0° |
| H4A | C4 | C5 | C6 | 60.4° | 60.0° |
| H4A | C4 | C5 | H5 | 179.6° | 179.9° |
| H4A | C4 | C5 | H5A | 59.5° | 60.0° |
| C6 | C5 | H5 | H5A | 119.3° | 120.0° |
| H5 | C5 | C6 | H6 | 178.0° | 180.0° |
| H5A | C5 | C6 | H6 | 58.0° | 59.9° |
| H7 | C7 | H7A | H7B | 120.0° | 120.1° |
