F6R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C1 | H1C1 | sing | 1.09Å | 1.10Å | |
| C1 | H1C2 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C2 | O2 | doub | 1.21Å | 1.21Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C6 | H6C1 | sing | 1.09Å | 1.10Å | |
| C6 | H6C2 | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O3 | HA | sing | 0.97Å | 0.95Å | |
| O4 | HB | sing | 0.97Å | 0.95Å | |
| O5 | HC | sing | 0.97Å | 0.95Å | |
| O6 | P | sing | 1.61Å | 1.60Å | |
| P | O1P | sing | 1.61Å | 1.50Å | |
| P | O2P | sing | 1.61Å | 1.51Å | |
| P | O3P | doub | 1.48Å | 1.49Å | |
| HO1 | O1P | sing | 0.97Å | 0.95Å | |
| HO2 | O2P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 112.0° | 109.5° |
| C2 | C1 | H1C1 | 108.8° | 109.5° |
| C2 | C1 | H1C2 | 108.8° | 109.4° |
| C1 | C2 | C3 | 125.5° | 120.0° |
| C1 | C2 | O2 | 116.3° | 120.0° |
| O1 | C1 | H1C1 | 108.8° | 109.5° |
| O1 | C1 | H1C2 | 108.8° | 109.5° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| H1C1 | C1 | H1C2 | 109.5° | 109.5° |
| C3 | C2 | O2 | 118.1° | 120.0° |
| C2 | C3 | C4 | 113.7° | 109.4° |
| C2 | C3 | O3 | 108.4° | 109.5° |
| C2 | C3 | H3 | 109.0° | 109.5° |
| C4 | C3 | O3 | 105.9° | 109.4° |
| C4 | C3 | H3 | 109.0° | 109.5° |
| C3 | C4 | C5 | 113.6° | 109.5° |
| C3 | C4 | O4 | 108.2° | 109.5° |
| C3 | C4 | H4 | 108.0° | 109.5° |
| O3 | C3 | H3 | 110.7° | 109.6° |
| C3 | O3 | HA | 109.5° | 114.0° |
| C5 | C4 | O4 | 109.2° | 109.4° |
| C5 | C4 | H4 | 108.2° | 109.5° |
| C4 | C5 | C6 | 111.6° | 109.5° |
| C4 | C5 | O5 | 111.9° | 109.4° |
| C4 | C5 | H5 | 107.2° | 109.4° |
| O4 | C4 | H4 | 109.5° | 109.5° |
| C4 | O4 | HB | 109.5° | 114.0° |
| C6 | C5 | O5 | 110.4° | 109.5° |
| C6 | C5 | H5 | 107.1° | 109.5° |
| C5 | C6 | O6 | 108.5° | 109.5° |
| C5 | C6 | H6C1 | 109.7° | 109.5° |
| C5 | C6 | H6C2 | 109.7° | 109.5° |
| O5 | C5 | H5 | 108.4° | 109.4° |
| C5 | O5 | HC | 109.5° | 114.0° |
| O6 | C6 | H6C1 | 109.7° | 109.5° |
| O6 | C6 | H6C2 | 109.7° | 109.5° |
| C6 | O6 | P | 119.1° | 123.0° |
| H6C1 | C6 | H6C2 | 109.5° | 109.4° |
| O6 | P | O1P | 106.6° | 109.5° |
| O6 | P | O2P | 106.0° | 109.5° |
| O6 | P | O3P | 106.7° | 109.5° |
| O1P | P | O2P | 111.0° | 109.4° |
| O1P | P | O3P | 112.0° | 109.5° |
| P | O1P | HO1 | 109.5° | 114.0° |
| O2P | P | O3P | 113.9° | 109.5° |
| P | O2P | HO2 | 109.5° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | H1C1 | 120.4° | 120.0° |
| C2 | C1 | O1 | H1C2 | 120.4° | 120.0° |
| C2 | C1 | H1C1 | H1C2 | 118.8° | 120.0° |
| C1 | C2 | C3 | O2 | 177.2° | 180.0° |
| C1 | C2 | C3 | C4 | 15.8° | 75.0° |
| C1 | C2 | C3 | O3 | 133.4° | 165.0° |
| C1 | C2 | C3 | H3 | 106.0° | 44.9° |
| C2 | C1 | O1 | H1 | 9.4° | 180.0° |
| O1 | C1 | H1C1 | H1C2 | 118.8° | 120.0° |
| O1 | C1 | C2 | C3 | 162.4° | 180.0° |
| O1 | C1 | C2 | O2 | 20.4° | 0.0° |
| H1C1 | C1 | C2 | C3 | 42.0° | 60.0° |
| H1C1 | C1 | C2 | O2 | 140.8° | 120.0° |
| H1C1 | C1 | O1 | H1 | 129.8° | 60.0° |
| H1C2 | C1 | C2 | C3 | 77.2° | 60.0° |
| H1C2 | C1 | C2 | O2 | 100.0° | 120.0° |
| H1C2 | C1 | O1 | H1 | 111.0° | 60.1° |
| C2 | C3 | C4 | O3 | 119.0° | 120.0° |
| C2 | C3 | C4 | H3 | 121.8° | 120.0° |
| C2 | C3 | O3 | H3 | 119.6° | 120.0° |
| C2 | C3 | C4 | C5 | 178.7° | 175.0° |
| C2 | C3 | C4 | O4 | 57.2° | 55.0° |
| C2 | C3 | C4 | H4 | 61.2° | 65.0° |
| C2 | C3 | O3 | HA | 18.2° | 60.0° |
| O2 | C2 | C3 | C4 | 161.3° | 105.0° |
| O2 | C2 | C3 | O3 | 43.7° | 14.9° |
| O2 | C2 | C3 | H3 | 76.9° | 135.0° |
| C4 | C3 | O3 | H3 | 118.0° | 120.0° |
| C3 | C4 | C5 | O4 | 120.9° | 120.0° |
| C3 | C4 | C5 | H4 | 119.9° | 120.0° |
| C3 | C4 | O4 | H4 | 117.5° | 120.0° |
| C3 | C4 | C5 | C6 | 177.8° | 180.0° |
| C3 | C4 | C5 | O5 | 53.5° | 60.0° |
| C3 | C4 | C5 | H5 | 65.2° | 59.9° |
| C4 | C3 | O3 | HA | 140.7° | 60.0° |
| C3 | C4 | O4 | HB | 180.0° | 60.0° |
| O3 | C3 | C4 | C5 | 59.7° | 55.0° |
| O3 | C3 | C4 | O4 | 61.8° | 64.9° |
| O3 | C3 | C4 | H4 | 179.7° | 175.0° |
| H3 | C3 | C4 | C5 | 59.4° | 65.1° |
| H3 | C3 | C4 | O4 | 179.1° | 175.0° |
| H3 | C3 | C4 | H4 | 60.6° | 55.0° |
| H3 | C3 | O3 | HA | 101.3° | 180.0° |
| C5 | C4 | O4 | H4 | 118.4° | 120.0° |
| C4 | C5 | C6 | O5 | 125.1° | 120.0° |
| C4 | C5 | C6 | H5 | 117.1° | 120.0° |
| C4 | C5 | O5 | H5 | 118.0° | 119.9° |
| C4 | C5 | C6 | O6 | 66.0° | 175.0° |
| C4 | C5 | C6 | H6C1 | 174.1° | 55.0° |
| C4 | C5 | C6 | H6C2 | 53.8° | 65.0° |
| C5 | C4 | O4 | HB | 55.9° | 60.0° |
| C4 | C5 | O5 | HC | 180.0° | 60.1° |
| O4 | C4 | C5 | C6 | 61.3° | 60.0° |
| O4 | C4 | C5 | O5 | 174.4° | 180.0° |
| O4 | C4 | C5 | H5 | 55.7° | 60.0° |
| H4 | C4 | C5 | C6 | 57.9° | 60.0° |
| H4 | C4 | C5 | O5 | 66.4° | 60.1° |
| H4 | C4 | C5 | H5 | 174.9° | 180.0° |
| H4 | C4 | O4 | HB | 62.5° | 180.0° |
| C6 | C5 | O5 | H5 | 117.1° | 120.0° |
| C5 | C6 | O6 | H6C1 | 119.9° | 120.0° |
| C5 | C6 | O6 | H6C2 | 119.8° | 120.0° |
| C5 | C6 | H6C1 | H6C2 | 120.4° | 120.0° |
| C6 | C5 | O5 | HC | 55.0° | 60.0° |
| C5 | C6 | O6 | P | 169.9° | 180.0° |
| O5 | C5 | C6 | O6 | 59.1° | 65.0° |
| O5 | C5 | C6 | H6C1 | 60.8° | 175.0° |
| O5 | C5 | C6 | H6C2 | 178.9° | 55.0° |
| H5 | C5 | C6 | O6 | 176.9° | 55.0° |
| H5 | C5 | C6 | H6C1 | 57.1° | 65.0° |
| H5 | C5 | C6 | H6C2 | 63.2° | 175.0° |
| H5 | C5 | O5 | HC | 62.0° | 180.0° |
| O6 | C6 | H6C1 | H6C2 | 120.4° | 120.0° |
| C6 | O6 | P | O1P | 69.2° | 65.1° |
| C6 | O6 | P | O2P | 49.2° | 175.0° |
| C6 | O6 | P | O3P | 170.9° | 55.0° |
| H6C1 | C6 | O6 | P | 70.2° | 60.0° |
| H6C2 | C6 | O6 | P | 50.1° | 60.0° |
| O6 | P | O1P | O2P | 115.0° | 120.0° |
| O6 | P | O1P | O3P | 116.4° | 120.0° |
| O6 | P | O2P | O3P | 117.0° | 120.0° |
| O6 | P | O1P | HO1 | 116.3° | 59.9° |
| O6 | P | O2P | HO2 | 117.0° | 180.0° |
| O1P | P | O2P | O3P | 127.6° | 120.0° |
| O1P | P | O2P | HO2 | 127.6° | 60.0° |
| O2P | P | O1P | HO1 | 128.6° | 60.0° |
| O3P | P | O1P | HO1 | 0.0° | 179.9° |
| O3P | P | O2P | HO2 | 0.0° | 60.0° |
