44H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| O4 | C4 | sing | 1.43Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| O1 | P | sing | 1.61Å | 1.62Å | |
| O2P | P | doub | 1.48Å | 1.51Å | |
| P | O1P | sing | 1.61Å | 1.51Å | |
| P | O3P | sing | 1.61Å | 1.52Å | |
| C5 | O5 | sing | 1.43Å | 1.47Å | |
| O3P | H1 | sing | 0.97Å | 0.95Å | |
| O1P | H2 | sing | 0.97Å | 0.95Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| O2 | H6 | sing | 0.97Å | 0.95Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| O4 | H10 | sing | 0.97Å | 0.95Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| O6 | H14 | sing | 0.97Å | 0.95Å | |
| O5 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 110.9° | 109.4° |
| O6 | C6 | H12 | 109.1° | 109.5° |
| O6 | C6 | H13 | 109.1° | 109.5° |
| C6 | O6 | H14 | 109.5° | 114.0° |
| O4 | C4 | C5 | 106.7° | 109.4° |
| O4 | C4 | C3 | 112.9° | 109.5° |
| O4 | C4 | H9 | 109.6° | 109.5° |
| C4 | O4 | H10 | 109.5° | 114.0° |
| C5 | C4 | C3 | 109.7° | 109.4° |
| C4 | C5 | C6 | 124.4° | 109.4° |
| C4 | C5 | O5 | 119.4° | 109.4° |
| C5 | C4 | H9 | 108.9° | 109.5° |
| C4 | C5 | H11 | 93.6° | 109.5° |
| C4 | C3 | C2 | 109.1° | 109.4° |
| C4 | C3 | O3 | 111.9° | 109.5° |
| C4 | C3 | H7 | 108.5° | 109.5° |
| C3 | C4 | H9 | 108.8° | 109.5° |
| C6 | C5 | O5 | 115.0° | 109.5° |
| C6 | C5 | H11 | 93.6° | 109.5° |
| C5 | C6 | H12 | 109.1° | 109.5° |
| C5 | C6 | H13 | 109.1° | 109.5° |
| O2 | C2 | C3 | 105.7° | 109.5° |
| O2 | C2 | C1 | 109.4° | 109.5° |
| O2 | C2 | H5 | 109.8° | 109.5° |
| C2 | O2 | H6 | 109.5° | 114.0° |
| C3 | C2 | C1 | 114.6° | 109.4° |
| C2 | C3 | O3 | 108.8° | 109.5° |
| C3 | C2 | H5 | 108.6° | 109.4° |
| C2 | C3 | H7 | 108.5° | 109.4° |
| C2 | C1 | O1 | 108.9° | 109.5° |
| C2 | C1 | H3 | 109.6° | 109.5° |
| C2 | C1 | H4 | 109.6° | 109.5° |
| C1 | C2 | H5 | 108.6° | 109.5° |
| O3 | C3 | H7 | 109.8° | 109.5° |
| C3 | O3 | H8 | 109.5° | 114.0° |
| C1 | O1 | P | 121.3° | 123.0° |
| O1 | C1 | H3 | 109.6° | 109.4° |
| O1 | C1 | H4 | 109.6° | 109.4° |
| O1 | P | O2P | 104.1° | 109.5° |
| O1 | P | O1P | 106.0° | 109.5° |
| O1 | P | O3P | 101.6° | 109.4° |
| O2P | P | O1P | 115.6° | 109.5° |
| O2P | P | O3P | 111.0° | 109.5° |
| O1P | P | O3P | 116.5° | 109.5° |
| P | O1P | H2 | 109.5° | 114.0° |
| P | O3P | H1 | 109.5° | 114.0° |
| O5 | C5 | H11 | 93.7° | 109.5° |
| C5 | O5 | H15 | 109.5° | 114.1° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H12 | C6 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | C4 | 139.1° | 175.0° |
| O6 | C6 | C5 | H12 | 120.2° | 120.0° |
| O6 | C6 | C5 | H13 | 120.2° | 120.0° |
| O6 | C6 | C5 | O5 | 53.6° | 65.1° |
| O6 | C6 | C5 | H11 | 42.2° | 55.0° |
| O6 | C6 | H12 | H13 | 119.3° | 120.0° |
| O4 | C4 | C5 | C3 | 122.7° | 119.9° |
| O4 | C4 | C5 | H9 | 118.3° | 120.0° |
| O4 | C4 | C3 | H9 | 122.0° | 120.0° |
| O4 | C4 | C5 | C6 | 165.3° | 60.1° |
| O4 | C4 | C3 | C2 | 81.1° | 55.1° |
| O4 | C4 | C3 | O3 | 39.5° | 65.0° |
| O4 | C4 | C5 | O5 | 27.9° | 180.0° |
| O4 | C4 | C3 | H7 | 160.8° | 175.0° |
| O4 | C4 | C5 | H11 | 68.4° | 60.0° |
| C5 | C4 | C3 | H9 | 119.1° | 120.0° |
| C4 | C5 | C6 | O5 | 167.3° | 119.9° |
| C4 | C5 | C6 | H11 | 96.9° | 120.0° |
| C5 | C4 | C3 | C2 | 160.0° | 175.0° |
| C5 | C4 | C3 | O3 | 79.4° | 55.0° |
| C4 | C5 | O5 | H11 | 96.3° | 120.0° |
| C5 | C4 | C3 | H7 | 41.9° | 65.1° |
| C5 | C4 | O4 | H10 | 180.0° | 60.0° |
| C4 | C5 | C6 | H12 | 100.7° | 55.1° |
| C4 | C5 | C6 | H13 | 18.9° | 65.0° |
| C4 | C5 | O5 | H15 | 180.0° | 60.0° |
| C3 | C4 | C5 | C6 | 72.0° | 180.0° |
| C4 | C3 | C2 | O2 | 64.2° | 60.0° |
| C4 | C3 | C2 | O3 | 122.4° | 120.0° |
| C4 | C3 | C2 | H7 | 118.1° | 119.9° |
| C4 | C3 | C2 | C1 | 175.2° | 180.0° |
| C4 | C3 | O3 | H7 | 120.6° | 120.0° |
| C3 | C4 | C5 | O5 | 94.8° | 60.1° |
| C4 | C3 | C2 | H5 | 53.6° | 60.1° |
| C4 | C3 | O3 | H8 | 180.0° | 60.0° |
| C3 | C4 | O4 | H10 | 59.4° | 59.9° |
| C3 | C4 | C5 | H11 | 168.9° | 59.9° |
| C6 | C5 | O5 | H11 | 95.7° | 120.1° |
| C6 | C5 | C4 | H9 | 47.1° | 59.9° |
| C5 | C6 | H12 | H13 | 119.3° | 120.1° |
| C5 | C6 | O6 | H14 | 180.0° | 180.0° |
| C6 | C5 | O5 | H15 | 12.0° | 59.9° |
| O2 | C2 | C3 | C1 | 120.6° | 120.0° |
| O2 | C2 | C3 | H5 | 117.8° | 120.0° |
| O2 | C2 | C1 | H5 | 119.9° | 120.0° |
| O2 | C2 | C3 | O3 | 173.4° | 180.0° |
| O2 | C2 | C1 | O1 | 54.4° | 65.0° |
| O2 | C2 | C1 | H3 | 174.3° | 54.9° |
| O2 | C2 | C1 | H4 | 65.5° | 175.0° |
| O2 | C2 | C3 | H7 | 53.9° | 60.0° |
| C3 | C2 | C1 | H5 | 121.6° | 119.9° |
| C2 | C3 | O3 | H7 | 118.7° | 120.0° |
| C3 | C2 | C1 | O1 | 172.9° | 175.0° |
| C3 | C2 | C1 | H3 | 67.2° | 65.1° |
| C3 | C2 | C1 | H4 | 53.0° | 55.0° |
| C3 | C2 | O2 | H6 | 180.0° | 60.0° |
| C2 | C3 | O3 | H8 | 59.3° | 60.0° |
| C2 | C3 | C4 | H9 | 40.9° | 64.9° |
| C1 | C2 | C3 | O3 | 52.8° | 60.0° |
| C2 | C1 | O1 | H3 | 119.9° | 120.0° |
| C2 | C1 | O1 | H4 | 119.9° | 120.1° |
| C2 | C1 | O1 | P | 161.0° | 179.9° |
| C2 | C1 | H3 | H4 | 120.3° | 120.1° |
| C1 | C2 | O2 | H6 | 56.2° | 60.0° |
| C1 | C2 | C3 | H7 | 66.7° | 60.1° |
| O3 | C3 | C2 | H5 | 68.8° | 60.0° |
| O3 | C3 | C4 | H9 | 161.5° | 175.0° |
| C1 | O1 | P | O2P | 179.5° | 55.0° |
| C1 | O1 | P | O1P | 57.1° | 175.0° |
| C1 | O1 | P | O3P | 65.1° | 65.0° |
| O1 | C1 | H3 | H4 | 120.3° | 120.0° |
| O1 | C1 | C2 | H5 | 65.5° | 55.1° |
| O1 | P | O2P | O1P | 115.9° | 120.0° |
| O1 | P | O2P | O3P | 108.6° | 120.0° |
| O1 | P | O1P | O3P | 112.2° | 120.0° |
| O1 | P | O3P | H1 | 110.2° | 60.0° |
| O1 | P | O1P | H2 | 114.8° | 179.9° |
| P | O1 | C1 | H3 | 41.0° | 60.0° |
| P | O1 | C1 | H4 | 79.1° | 60.0° |
| O2P | P | O1P | O3P | 133.0° | 120.0° |
| O2P | P | O3P | H1 | 0.0° | 180.0° |
| O2P | P | O1P | H2 | 0.0° | 60.1° |
| O1P | P | O3P | H1 | 135.1° | 60.0° |
| O3P | P | O1P | H2 | 133.0° | 60.0° |
| O5 | C5 | C4 | H9 | 146.1° | 60.0° |
| O5 | C5 | C6 | H12 | 66.7° | 175.0° |
| O5 | C5 | C6 | H13 | 173.8° | 55.0° |
| H3 | C1 | C2 | H5 | 54.4° | 175.0° |
| H4 | C1 | C2 | H5 | 174.6° | 64.9° |
| H5 | C2 | O2 | H6 | 63.0° | 180.0° |
| H5 | C2 | C3 | H7 | 171.7° | 180.0° |
| H7 | C3 | O3 | H8 | 59.4° | 180.0° |
| H7 | C3 | C4 | H9 | 77.2° | 55.0° |
| H9 | C4 | O4 | H10 | 62.2° | 180.0° |
| H9 | C4 | C5 | H11 | 49.8° | 180.0° |
| H11 | C5 | C6 | H12 | 162.4° | 65.0° |
| H11 | C5 | C6 | H13 | 78.0° | 175.0° |
| H11 | C5 | O5 | H15 | 83.7° | 180.0° |
| H12 | C6 | O6 | H14 | 59.8° | 60.0° |
| H13 | C6 | O6 | H14 | 59.8° | 60.0° |
