27C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.51Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O5 | P | sing | 1.61Å | 1.63Å | |
| OP2 | P | doub | 1.48Å | 1.55Å | |
| OP3 | P | sing | 1.61Å | 1.56Å | |
| P | OP1 | sing | 1.61Å | 1.48Å | |
| C1 | C2 | sing | 1.54Å | 1.54Å | |
| C1 | O4 | sing | 1.44Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | F2 | sing | 1.40Å | 1.38Å | |
| C2 | C3 | sing | 1.55Å | 1.51Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O3 | C3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.55Å | 1.55Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | C4 | sing | 1.44Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | O5 | sing | 1.43Å | 1.46Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| OP3 | C1C | sing | 1.43Å | 1.43Å | |
| C1C | C2C | sing | 1.53Å | 1.53Å | |
| C1C | H1C | sing | 1.09Å | 1.10Å | |
| C1C | H1CA | sing | 1.09Å | 1.10Å | |
| C2C | C3C | sing | 1.53Å | 1.52Å | |
| C2C | H2C | sing | 1.09Å | 1.10Å | |
| C2C | H2CA | sing | 1.09Å | 1.10Å | |
| C4C | C3C | sing | 1.53Å | 1.54Å | |
| C3C | H3C | sing | 1.09Å | 1.10Å | |
| C3C | H3CA | sing | 1.09Å | 1.10Å | |
| C4C | H4C | sing | 1.09Å | 1.10Å | |
| C4C | H4CA | sing | 1.09Å | 1.10Å | |
| C4C | H4CB | sing | 1.09Å | 1.10Å | |
| OP1 | HOP1 | 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 | 138.4° | 109.9° |
| O1 | C1 | O4 | 99.3° | 109.9° |
| O1 | C1 | H1 | 103.0° | 109.9° |
| O5 | P | OP2 | 92.3° | 109.5° |
| O5 | P | OP3 | 88.3° | 109.5° |
| O5 | P | OP1 | 85.6° | 109.4° |
| P | O5 | C5 | 126.9° | 123.0° |
| OP2 | P | OP3 | 113.1° | 109.5° |
| OP2 | P | OP1 | 124.6° | 109.5° |
| OP3 | P | OP1 | 122.1° | 109.5° |
| P | OP3 | C1C | 118.8° | 123.0° |
| P | OP1 | HOP1 | 109.5° | 114.0° |
| C2 | C1 | O4 | 105.7° | 107.3° |
| C2 | C1 | H1 | 102.8° | 109.9° |
| C1 | C2 | F2 | 113.8° | 110.5° |
| C1 | C2 | C3 | 103.1° | 104.2° |
| C1 | C2 | H2 | 110.0° | 110.4° |
| O4 | C1 | H1 | 103.6° | 110.0° |
| C1 | O4 | C4 | 106.6° | 106.9° |
| F2 | C2 | C3 | 106.9° | 110.5° |
| F2 | C2 | H2 | 112.3° | 110.4° |
| C3 | C2 | H2 | 110.4° | 110.6° |
| C2 | C3 | O3 | 107.1° | 110.9° |
| C2 | C3 | C4 | 103.8° | 102.1° |
| C2 | C3 | H3 | 111.1° | 110.9° |
| O3 | C3 | C4 | 111.7° | 110.9° |
| O3 | C3 | H3 | 112.4° | 110.8° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 110.4° | 110.9° |
| C3 | C4 | O4 | 107.8° | 103.5° |
| C3 | C4 | C5 | 113.6° | 110.6° |
| C3 | C4 | H4 | 109.6° | 110.6° |
| O4 | C4 | C5 | 105.5° | 110.6° |
| O4 | C4 | H4 | 110.7° | 110.8° |
| C5 | C4 | H4 | 109.7° | 110.5° |
| C4 | C5 | O5 | 114.4° | 109.4° |
| C4 | C5 | H51 | 108.2° | 109.5° |
| C4 | C5 | H52 | 108.2° | 109.4° |
| O5 | C5 | H51 | 108.2° | 109.5° |
| O5 | C5 | H52 | 108.2° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.5° |
| OP3 | C1C | C2C | 108.5° | 109.5° |
| OP3 | C1C | H1C | 109.7° | 109.5° |
| OP3 | C1C | H1CA | 109.7° | 109.4° |
| C2C | C1C | H1C | 109.7° | 109.5° |
| C2C | C1C | H1CA | 109.7° | 109.5° |
| C1C | C2C | C3C | 112.1° | 109.5° |
| C1C | C2C | H2C | 108.8° | 109.4° |
| C1C | C2C | H2CA | 108.8° | 109.5° |
| H1C | C1C | H1CA | 109.4° | 109.5° |
| C3C | C2C | H2C | 108.8° | 109.5° |
| C3C | C2C | H2CA | 108.8° | 109.5° |
| C2C | C3C | C4C | 111.1° | 109.5° |
| C2C | C3C | H3C | 109.0° | 109.4° |
| C2C | C3C | H3CA | 109.1° | 109.5° |
| H2C | C2C | H2CA | 109.4° | 109.4° |
| C4C | C3C | H3C | 109.0° | 109.5° |
| C4C | C3C | H3CA | 109.1° | 109.5° |
| C3C | C4C | H4C | 109.5° | 109.5° |
| C3C | C4C | H4CA | 109.5° | 109.4° |
| C3C | C4C | H4CB | 109.5° | 109.4° |
| H3C | C3C | H3CA | 109.5° | 109.4° |
| H4C | C4C | H4CA | 109.4° | 109.5° |
| H4C | C4C | H4CB | 109.5° | 109.5° |
| H4CA | C4C | H4CB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O4 | 124.6° | 119.4° |
| O1 | C1 | C2 | H1 | 127.1° | 121.0° |
| O1 | C1 | O4 | H1 | 105.9° | 121.0° |
| O1 | C1 | C2 | F2 | 157.2° | 123.9° |
| O1 | C1 | C2 | C3 | 87.5° | 117.4° |
| O1 | C1 | C2 | H2 | 30.1° | 1.4° |
| O1 | C1 | O4 | C4 | 116.4° | 92.9° |
| HO1 | O1 | C1 | C2 | 180.0° | 180.0° |
| HO1 | O1 | C1 | O4 | 53.4° | 62.2° |
| HO1 | O1 | C1 | H1 | 53.0° | 59.0° |
| O5 | P | OP2 | OP3 | 89.1° | 120.0° |
| O5 | P | OP2 | OP1 | 86.2° | 120.0° |
| O5 | P | OP3 | OP1 | 83.7° | 119.9° |
| P | O5 | C5 | C4 | 114.0° | 180.0° |
| P | O5 | C5 | H51 | 6.8° | 60.0° |
| P | O5 | C5 | H52 | 125.3° | 60.1° |
| O5 | P | OP3 | C1C | 86.8° | 175.0° |
| O5 | P | OP1 | HOP1 | 89.7° | 60.0° |
| OP2 | P | OP3 | OP1 | 175.5° | 120.0° |
| OP2 | P | O5 | C5 | 85.4° | 55.0° |
| OP2 | P | OP3 | C1C | 178.6° | 55.0° |
| OP2 | P | OP1 | HOP1 | 0.0° | 180.0° |
| OP3 | P | O5 | C5 | 161.6° | 175.0° |
| P | OP3 | C1C | C2C | 152.5° | 179.9° |
| P | OP3 | C1C | H1C | 32.6° | 60.1° |
| P | OP3 | C1C | H1CA | 87.7° | 60.0° |
| OP3 | P | OP1 | HOP1 | 175.0° | 60.0° |
| OP1 | P | O5 | C5 | 39.2° | 65.0° |
| OP1 | P | OP3 | C1C | 3.1° | 65.1° |
| C2 | C1 | O4 | H1 | 107.7° | 119.5° |
| C1 | C2 | F2 | C3 | 113.1° | 114.8° |
| C1 | C2 | F2 | H2 | 125.8° | 122.5° |
| C1 | C2 | C3 | H2 | 117.4° | 118.7° |
| C1 | C2 | C3 | O3 | 89.6° | 139.1° |
| C1 | C2 | C3 | C4 | 28.7° | 20.8° |
| C1 | C2 | C3 | H3 | 147.3° | 97.3° |
| C2 | C1 | O4 | C4 | 30.0° | 26.5° |
| O4 | C1 | C2 | F2 | 78.2° | 116.6° |
| O4 | C1 | C2 | C3 | 37.1° | 2.1° |
| O4 | C1 | C2 | H2 | 154.8° | 120.9° |
| C1 | O4 | C4 | C3 | 11.5° | 40.1° |
| C1 | O4 | C4 | C5 | 133.2° | 158.6° |
| C1 | O4 | C4 | H4 | 108.3° | 78.5° |
| H1 | C1 | C2 | F2 | 30.0° | 2.9° |
| H1 | C1 | C2 | C3 | 145.3° | 121.6° |
| H1 | C1 | C2 | H2 | 97.0° | 119.6° |
| H1 | C1 | O4 | C4 | 137.7° | 146.0° |
| F2 | C2 | C3 | H2 | 122.4° | 122.6° |
| F2 | C2 | C3 | O3 | 150.2° | 102.2° |
| F2 | C2 | C3 | C4 | 91.5° | 139.6° |
| F2 | C2 | C3 | H3 | 27.1° | 21.4° |
| C2 | C3 | O3 | C4 | 113.0° | 112.7° |
| C2 | C3 | O3 | H3 | 122.2° | 123.6° |
| C2 | C3 | C4 | H3 | 119.1° | 118.2° |
| C2 | C3 | O3 | HO3 | 180.0° | 61.4° |
| C2 | C3 | C4 | O4 | 11.6° | 37.0° |
| C2 | C3 | C4 | C5 | 104.9° | 155.5° |
| C2 | C3 | C4 | H4 | 132.1° | 81.7° |
| H2 | C2 | C3 | O3 | 27.8° | 20.4° |
| H2 | C2 | C3 | C4 | 146.1° | 97.8° |
| H2 | C2 | C3 | H3 | 95.3° | 144.0° |
| O3 | C3 | C4 | H3 | 125.9° | 123.6° |
| O3 | C3 | C4 | O4 | 103.5° | 155.2° |
| O3 | C3 | C4 | C5 | 140.1° | 86.3° |
| O3 | C3 | C4 | H4 | 17.1° | 36.5° |
| C4 | C3 | O3 | HO3 | 67.0° | 174.1° |
| C3 | C4 | O4 | C5 | 121.7° | 118.5° |
| C3 | C4 | O4 | H4 | 119.8° | 118.6° |
| C3 | C4 | C5 | H4 | 122.9° | 122.8° |
| C3 | C4 | C5 | O5 | 174.9° | 175.0° |
| C3 | C4 | C5 | H51 | 64.4° | 55.0° |
| C3 | C4 | C5 | H52 | 54.2° | 65.1° |
| H3 | C3 | O3 | HO3 | 57.7° | 62.2° |
| H3 | C3 | C4 | O4 | 130.7° | 81.1° |
| H3 | C3 | C4 | C5 | 14.2° | 37.4° |
| H3 | C3 | C4 | H4 | 108.8° | 160.1° |
| O4 | C4 | C5 | H4 | 119.2° | 123.0° |
| O4 | C4 | C5 | O5 | 57.0° | 70.9° |
| O4 | C4 | C5 | H51 | 177.8° | 169.1° |
| O4 | C4 | C5 | H52 | 63.7° | 49.1° |
| C4 | C5 | O5 | H51 | 120.7° | 120.0° |
| C4 | C5 | O5 | H52 | 120.7° | 119.9° |
| C4 | C5 | H51 | H52 | 117.8° | 120.0° |
| H4 | C4 | C5 | O5 | 62.2° | 52.2° |
| H4 | C4 | C5 | H51 | 58.6° | 67.8° |
| H4 | C4 | C5 | H52 | 177.1° | 172.1° |
| O5 | C5 | H51 | H52 | 117.7° | 120.1° |
| OP3 | C1C | C2C | H1C | 119.9° | 120.0° |
| OP3 | C1C | C2C | H1CA | 119.8° | 119.9° |
| OP3 | C1C | H1C | H1CA | 120.4° | 120.0° |
| OP3 | C1C | C2C | C3C | 64.3° | 180.0° |
| OP3 | C1C | C2C | H2C | 175.2° | 60.0° |
| OP3 | C1C | C2C | H2CA | 56.1° | 60.0° |
| C2C | C1C | H1C | H1CA | 120.5° | 120.0° |
| C1C | C2C | C3C | H2C | 120.4° | 120.0° |
| C1C | C2C | C3C | H2CA | 120.4° | 120.1° |
| C1C | C2C | H2C | H2CA | 118.8° | 120.0° |
| C1C | C2C | C3C | C4C | 175.3° | 180.0° |
| C1C | C2C | C3C | H3C | 55.0° | 60.0° |
| C1C | C2C | C3C | H3CA | 64.5° | 60.0° |
| H1C | C1C | C2C | C3C | 55.5° | 60.0° |
| H1C | C1C | C2C | H2C | 64.9° | 60.0° |
| H1C | C1C | C2C | H2CA | 175.9° | 180.0° |
| H1CA | C1C | C2C | C3C | 175.8° | 60.1° |
| H1CA | C1C | C2C | H2C | 55.4° | 179.9° |
| H1CA | C1C | C2C | H2CA | 63.8° | 60.0° |
| C3C | C2C | H2C | H2CA | 118.8° | 120.0° |
| C2C | C3C | C4C | H3C | 120.2° | 120.0° |
| C2C | C3C | C4C | H3CA | 120.3° | 120.0° |
| C2C | C3C | H3C | H3CA | 119.3° | 120.0° |
| C2C | C3C | C4C | H4C | 180.0° | 180.0° |
| C2C | C3C | C4C | H4CA | 60.0° | 60.0° |
| C2C | C3C | C4C | H4CB | 60.0° | 60.0° |
| H2C | C2C | C3C | C4C | 64.3° | 60.0° |
| H2C | C2C | C3C | H3C | 175.4° | 179.9° |
| H2C | C2C | C3C | H3CA | 55.9° | 60.0° |
| H2CA | C2C | C3C | C4C | 54.8° | 60.0° |
| H2CA | C2C | C3C | H3C | 65.4° | 60.1° |
| H2CA | C2C | C3C | H3CA | 175.1° | 180.0° |
| C4C | C3C | H3C | H3CA | 119.2° | 120.0° |
| C3C | C4C | H4C | H4CA | 120.0° | 120.0° |
| C3C | C4C | H4C | H4CB | 120.0° | 119.9° |
| C3C | C4C | H4CA | H4CB | 120.0° | 120.0° |
| H3C | C3C | C4C | H4C | 59.8° | 60.0° |
| H3C | C3C | C4C | H4CA | 179.7° | 180.0° |
| H3C | C3C | C4C | H4CB | 60.3° | 60.0° |
| H3CA | C3C | C4C | H4C | 59.7° | 60.0° |
| H3CA | C3C | C4C | H4CA | 60.3° | 60.0° |
| H3CA | C3C | C4C | H4CB | 179.7° | 180.0° |
| H4C | C4C | H4CA | H4CB | 120.0° | 120.0° |
