50A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.41Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O5 | P | sing | 1.61Å | 1.62Å | |
| OP1 | P | doub | 1.48Å | 1.53Å | |
| OP2 | P | sing | 1.61Å | 1.50Å | |
| P | OP3 | sing | 1.61Å | 1.53Å | |
| C1 | C2 | sing | 1.55Å | 1.51Å | |
| C1 | O4 | sing | 1.44Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| F2 | C2 | sing | 1.40Å | 1.36Å | |
| C2 | C3 | sing | 1.55Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O3 | C3 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.54Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| O1 | C1 | C2 | 113.0° | 110.3° |
| O1 | C1 | O4 | 104.7° | 110.3° |
| O1 | C1 | H1 | 111.7° | 110.2° |
| O5 | P | OP1 | 108.1° | 109.4° |
| O5 | P | OP2 | 107.5° | 109.5° |
| O5 | P | OP3 | 108.0° | 109.5° |
| P | O5 | C5 | 124.1° | 123.0° |
| OP1 | P | OP2 | 110.6° | 109.4° |
| OP1 | P | OP3 | 108.0° | 109.5° |
| OP2 | P | OP3 | 114.5° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| C2 | C1 | O4 | 105.9° | 105.2° |
| C2 | C1 | H1 | 110.1° | 110.3° |
| C1 | C2 | F2 | 108.6° | 111.1° |
| C1 | C2 | C3 | 106.7° | 100.9° |
| C1 | C2 | H2 | 109.2° | 111.1° |
| O4 | C1 | H1 | 111.2° | 110.4° |
| C1 | O4 | C4 | 112.0° | 110.0° |
| F2 | C2 | C3 | 111.9° | 111.1° |
| F2 | C2 | H2 | 111.4° | 111.1° |
| C3 | C2 | H2 | 108.9° | 111.1° |
| C2 | C3 | O3 | 110.6° | 110.8° |
| C2 | C3 | C4 | 104.1° | 102.3° |
| C2 | C3 | H3 | 110.0° | 110.8° |
| O3 | C3 | C4 | 110.6° | 110.9° |
| O3 | C3 | H3 | 111.3° | 110.8° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 110.0° | 110.9° |
| C3 | C4 | O4 | 107.8° | 107.6° |
| C3 | C4 | C5 | 111.1° | 109.8° |
| C3 | C4 | H4 | 109.4° | 109.9° |
| O4 | C4 | C5 | 108.3° | 109.8° |
| O4 | C4 | H4 | 110.7° | 109.9° |
| C5 | C4 | H4 | 109.4° | 109.8° |
| C4 | C5 | O5 | 109.5° | 109.5° |
| C4 | C5 | H51 | 109.5° | 109.5° |
| C4 | C5 | H52 | 109.5° | 109.5° |
| O5 | C5 | H51 | 109.4° | 109.5° |
| O5 | C5 | H52 | 109.5° | 109.4° |
| H51 | C5 | H52 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O4 | 114.1° | 118.9° |
| O1 | C1 | C2 | H1 | 125.7° | 122.0° |
| O1 | C1 | O4 | H1 | 120.8° | 122.1° |
| O1 | C1 | C2 | F2 | 24.8° | 37.5° |
| O1 | C1 | C2 | C3 | 96.0° | 155.4° |
| O1 | C1 | C2 | H2 | 146.4° | 86.8° |
| O1 | C1 | O4 | C4 | 108.7° | 143.4° |
| HO1 | O1 | C1 | C2 | 180.0° | 180.0° |
| HO1 | O1 | C1 | O4 | 65.2° | 64.3° |
| HO1 | O1 | C1 | H1 | 55.2° | 57.9° |
| O5 | P | OP1 | OP2 | 117.4° | 120.0° |
| O5 | P | OP1 | OP3 | 116.6° | 120.0° |
| O5 | P | OP2 | OP3 | 119.9° | 120.1° |
| P | O5 | C5 | C4 | 104.7° | 180.0° |
| P | O5 | C5 | H51 | 15.4° | 60.0° |
| P | O5 | C5 | H52 | 135.3° | 60.0° |
| O5 | P | OP2 | HOP2 | 117.8° | 179.9° |
| O5 | P | OP3 | HOP3 | 116.7° | 60.1° |
| OP1 | P | OP2 | OP3 | 122.3° | 120.0° |
| OP1 | P | O5 | C5 | 64.2° | 55.0° |
| OP1 | P | OP2 | HOP2 | 0.0° | 60.1° |
| OP1 | P | OP3 | HOP3 | 0.0° | 180.0° |
| OP2 | P | O5 | C5 | 176.4° | 175.0° |
| OP2 | P | OP3 | HOP3 | 123.7° | 60.0° |
| OP3 | P | O5 | C5 | 52.4° | 64.9° |
| OP3 | P | OP2 | HOP2 | 122.3° | 59.9° |
| C2 | C1 | O4 | H1 | 119.6° | 119.0° |
| C1 | C2 | F2 | C3 | 117.5° | 111.5° |
| C1 | C2 | F2 | H2 | 120.3° | 124.2° |
| C1 | C2 | C3 | H2 | 117.8° | 117.9° |
| C1 | C2 | C3 | O3 | 100.6° | 152.4° |
| C1 | C2 | C3 | C4 | 18.1° | 34.1° |
| C1 | C2 | C3 | H3 | 135.9° | 84.2° |
| C2 | C1 | O4 | C4 | 11.0° | 24.4° |
| O4 | C1 | C2 | F2 | 138.9° | 81.5° |
| O4 | C1 | C2 | C3 | 18.1° | 36.4° |
| O4 | C1 | C2 | H2 | 99.5° | 154.3° |
| C1 | O4 | C4 | C3 | 0.7° | 1.7° |
| C1 | O4 | C4 | C5 | 119.7° | 117.8° |
| C1 | O4 | C4 | H4 | 120.3° | 121.3° |
| H1 | C1 | C2 | F2 | 100.9° | 159.5° |
| H1 | C1 | C2 | C3 | 138.3° | 82.6° |
| H1 | C1 | C2 | H2 | 20.7° | 35.3° |
| H1 | C1 | O4 | C4 | 130.5° | 94.5° |
| F2 | C2 | C3 | H2 | 123.6° | 124.3° |
| F2 | C2 | C3 | O3 | 18.0° | 34.5° |
| F2 | C2 | C3 | C4 | 136.8° | 83.7° |
| F2 | C2 | C3 | H3 | 105.4° | 158.0° |
| C2 | C3 | O3 | C4 | 114.7° | 112.9° |
| C2 | C3 | O3 | H3 | 122.6° | 123.5° |
| C2 | C3 | C4 | H3 | 117.8° | 118.2° |
| C2 | C3 | O3 | HO3 | 180.0° | 61.3° |
| C2 | C3 | C4 | O4 | 11.8° | 21.4° |
| C2 | C3 | C4 | C5 | 106.8° | 140.9° |
| C2 | C3 | C4 | H4 | 132.2° | 98.3° |
| H2 | C2 | C3 | O3 | 141.6° | 89.8° |
| H2 | C2 | C3 | C4 | 99.7° | 152.0° |
| H2 | C2 | C3 | H3 | 18.2° | 33.7° |
| O3 | C3 | C4 | H3 | 123.4° | 123.6° |
| O3 | C3 | C4 | O4 | 107.1° | 139.6° |
| O3 | C3 | C4 | C5 | 134.4° | 100.9° |
| O3 | C3 | C4 | H4 | 13.4° | 19.9° |
| C4 | C3 | O3 | HO3 | 65.2° | 174.2° |
| C3 | C4 | O4 | C5 | 120.4° | 119.5° |
| C3 | C4 | O4 | H4 | 119.7° | 119.6° |
| C3 | C4 | C5 | H4 | 121.0° | 120.9° |
| C3 | C4 | C5 | O5 | 164.0° | 175.0° |
| C3 | C4 | C5 | H51 | 76.0° | 55.0° |
| C3 | C4 | C5 | H52 | 44.0° | 65.0° |
| H3 | C3 | O3 | HO3 | 57.4° | 62.1° |
| H3 | C3 | C4 | O4 | 129.5° | 96.9° |
| H3 | C3 | C4 | C5 | 11.0° | 22.7° |
| H3 | C3 | C4 | H4 | 110.0° | 143.5° |
| O4 | C4 | C5 | H4 | 120.8° | 121.0° |
| O4 | C4 | C5 | O5 | 45.7° | 66.8° |
| O4 | C4 | C5 | H51 | 165.7° | 173.1° |
| O4 | C4 | C5 | H52 | 74.3° | 53.1° |
| C4 | C5 | O5 | H51 | 120.0° | 120.0° |
| C4 | C5 | O5 | H52 | 120.0° | 120.0° |
| C4 | C5 | H51 | H52 | 120.0° | 120.0° |
| H4 | C4 | C5 | O5 | 75.0° | 54.1° |
| H4 | C4 | C5 | H51 | 45.0° | 65.9° |
| H4 | C4 | C5 | H52 | 164.9° | 174.1° |
| O5 | C5 | H51 | H52 | 120.0° | 120.0° |
