XDP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.39Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | O21 | sing | 1.43Å | 1.37Å | |
| C2 | O22 | sing | 1.43Å | 1.39Å | |
| C3 | C4 | sing | 1.53Å | 1.48Å | |
| C3 | O3 | sing | 1.43Å | 1.41Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | O4 | sing | 1.43Å | 1.37Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| O1 | P1 | sing | 1.61Å | 1.60Å | |
| O21 | HO21 | sing | 0.97Å | 0.95Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O5 | P2 | sing | 1.61Å | 1.59Å | |
| P1 | O1P | doub | 1.48Å | 1.49Å | |
| P1 | O2P | sing | 1.61Å | 1.54Å | |
| P1 | O3P | sing | 1.61Å | 1.47Å | |
| P2 | O4P | doub | 1.48Å | 1.48Å | |
| P2 | O5P | sing | 1.61Å | 1.51Å | |
| P2 | O6P | sing | 1.61Å | 1.46Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| O5P | HOP5 | sing | 0.97Å | 0.95Å | |
| O6P | HOP6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 112.8° | 109.5° |
| C2 | C1 | H11 | 111.0° | 109.5° |
| C2 | C1 | H12 | 111.0° | 109.4° |
| C1 | C2 | C3 | 116.8° | 109.6° |
| C1 | C2 | O21 | 110.0° | 109.5° |
| C1 | C2 | O22 | 110.9° | 109.5° |
| O1 | C1 | H11 | 111.0° | 109.5° |
| O1 | C1 | H12 | 111.0° | 109.5° |
| C1 | O1 | P1 | 125.3° | 106.9° |
| H11 | C1 | H12 | 99.3° | 109.4° |
| C3 | C2 | O21 | 106.7° | 109.4° |
| C3 | C2 | O22 | 106.2° | 109.5° |
| C2 | C3 | C4 | 116.8° | 109.5° |
| C2 | C3 | O3 | 106.3° | 109.5° |
| C2 | C3 | H3 | 107.6° | 109.5° |
| O21 | C2 | O22 | 105.5° | 109.4° |
| C2 | O21 | HO21 | 110.0° | 106.8° |
| C2 | O22 | HO22 | 111.0° | 106.8° |
| C4 | C3 | O3 | 112.0° | 109.5° |
| C4 | C3 | H3 | 101.3° | 109.4° |
| C3 | C4 | C5 | 107.4° | 109.5° |
| C3 | C4 | O4 | 115.8° | 109.4° |
| C3 | C4 | H4 | 105.0° | 109.5° |
| O3 | C3 | H3 | 112.8° | 109.4° |
| C3 | O3 | HO3 | 106.3° | 106.7° |
| C5 | C4 | O4 | 103.8° | 109.5° |
| C5 | C4 | H4 | 116.8° | 109.5° |
| C4 | C5 | O5 | 113.3° | 109.5° |
| C4 | C5 | H51 | 110.8° | 109.4° |
| C4 | C5 | H52 | 110.8° | 109.5° |
| O4 | C4 | H4 | 108.5° | 109.4° |
| C4 | O4 | HO4 | 115.8° | 106.8° |
| O5 | C5 | H51 | 110.8° | 109.4° |
| O5 | C5 | H52 | 110.8° | 109.5° |
| C5 | O5 | P2 | 129.3° | 106.9° |
| H51 | C5 | H52 | 99.5° | 109.5° |
| O1 | P1 | O1P | 111.8° | 109.5° |
| O1 | P1 | O2P | 105.3° | 109.6° |
| O1 | P1 | O3P | 107.3° | 109.5° |
| O5 | P2 | O4P | 104.2° | 109.5° |
| O5 | P2 | O5P | 103.4° | 109.5° |
| O5 | P2 | O6P | 103.1° | 109.4° |
| O1P | P1 | O2P | 106.3° | 109.4° |
| O1P | P1 | O3P | 118.4° | 109.5° |
| O2P | P1 | O3P | 106.8° | 109.5° |
| P1 | O2P | HOP2 | 105.3° | 106.9° |
| P1 | O3P | HOP3 | 107.3° | 106.8° |
| O4P | P2 | O5P | 111.1° | 109.5° |
| O4P | P2 | O6P | 120.6° | 109.5° |
| O5P | P2 | O6P | 112.2° | 109.4° |
| P2 | O5P | HOP5 | 103.5° | 106.9° |
| P2 | O6P | HOP6 | 103.1° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | H11 | 125.3° | 120.0° |
| C2 | C1 | O1 | H12 | 125.3° | 120.0° |
| C2 | C1 | H11 | H12 | 116.9° | 119.9° |
| C1 | C2 | C3 | O21 | 123.5° | 120.0° |
| C1 | C2 | C3 | O22 | 124.3° | 120.1° |
| C1 | C2 | O21 | O22 | 119.7° | 120.0° |
| C1 | C2 | C3 | C4 | 48.4° | 180.0° |
| C1 | C2 | C3 | O3 | 77.5° | 60.0° |
| C1 | C2 | C3 | H3 | 161.4° | 60.0° |
| C2 | C1 | O1 | P1 | 149.5° | 180.0° |
| C1 | C2 | O21 | HO21 | 180.0° | 60.0° |
| C1 | C2 | O22 | HO22 | 180.0° | 60.0° |
| O1 | C1 | H11 | H12 | 116.9° | 120.0° |
| O1 | C1 | C2 | C3 | 169.1° | 180.0° |
| O1 | C1 | C2 | O21 | 69.1° | 60.0° |
| O1 | C1 | C2 | O22 | 47.3° | 59.9° |
| C1 | O1 | P1 | O1P | 179.2° | 60.0° |
| C1 | O1 | P1 | O2P | 65.8° | 180.0° |
| C1 | O1 | P1 | O3P | 47.7° | 60.0° |
| H11 | C1 | C2 | C3 | 65.6° | 59.9° |
| H11 | C1 | C2 | O21 | 56.2° | 180.0° |
| H11 | C1 | C2 | O22 | 172.5° | 60.1° |
| H11 | C1 | O1 | P1 | 24.2° | 60.0° |
| H12 | C1 | C2 | C3 | 43.9° | 60.0° |
| H12 | C1 | C2 | O21 | 165.7° | 60.0° |
| H12 | C1 | C2 | O22 | 78.0° | 180.0° |
| H12 | C1 | O1 | P1 | 85.2° | 60.0° |
| C3 | C2 | O21 | O22 | 112.7° | 119.9° |
| C2 | C3 | C4 | O3 | 122.9° | 120.1° |
| C2 | C3 | C4 | H3 | 116.6° | 120.0° |
| C2 | C3 | O3 | H3 | 117.7° | 120.0° |
| C2 | C3 | C4 | C5 | 161.9° | 180.0° |
| C2 | C3 | C4 | O4 | 82.6° | 60.0° |
| C2 | C3 | C4 | H4 | 37.0° | 59.9° |
| C3 | C2 | O21 | HO21 | 52.4° | 60.1° |
| C3 | C2 | O22 | HO22 | 52.1° | 60.1° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| O21 | C2 | C3 | C4 | 75.1° | 59.9° |
| O21 | C2 | C3 | O3 | 159.0° | 180.0° |
| O21 | C2 | C3 | H3 | 37.9° | 60.0° |
| O21 | C2 | O22 | HO22 | 60.9° | 180.0° |
| O22 | C2 | C3 | C4 | 172.7° | 60.0° |
| O22 | C2 | C3 | O3 | 46.8° | 60.1° |
| O22 | C2 | C3 | H3 | 74.3° | 179.9° |
| O22 | C2 | O21 | HO21 | 60.3° | 180.0° |
| C4 | C3 | O3 | H3 | 113.6° | 119.9° |
| C3 | C4 | C5 | O4 | 123.1° | 120.0° |
| C3 | C4 | C5 | H4 | 117.5° | 120.1° |
| C3 | C4 | O4 | H4 | 117.7° | 120.0° |
| C3 | C4 | C5 | O5 | 166.3° | 180.0° |
| C3 | C4 | C5 | H51 | 41.0° | 60.1° |
| C3 | C4 | C5 | H52 | 68.5° | 59.9° |
| C4 | C3 | O3 | HO3 | 51.3° | 60.1° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| O3 | C3 | C4 | C5 | 75.1° | 59.9° |
| O3 | C3 | C4 | O4 | 40.3° | 60.1° |
| O3 | C3 | C4 | H4 | 159.9° | 180.0° |
| H3 | C3 | C4 | C5 | 45.4° | 60.0° |
| H3 | C3 | C4 | O4 | 160.8° | 180.0° |
| H3 | C3 | C4 | H4 | 79.6° | 60.1° |
| H3 | C3 | O3 | HO3 | 62.3° | 180.0° |
| C5 | C4 | O4 | H4 | 124.9° | 120.0° |
| C4 | C5 | O5 | H51 | 125.3° | 119.9° |
| C4 | C5 | O5 | H52 | 125.3° | 120.1° |
| C4 | C5 | H51 | H52 | 116.7° | 120.0° |
| C5 | C4 | O4 | HO4 | 62.5° | 60.0° |
| C4 | C5 | O5 | P2 | 110.6° | 180.0° |
| O4 | C4 | C5 | O5 | 70.6° | 60.0° |
| O4 | C4 | C5 | H51 | 164.1° | 180.0° |
| O4 | C4 | C5 | H52 | 54.7° | 60.1° |
| H4 | C4 | C5 | O5 | 48.8° | 59.9° |
| H4 | C4 | C5 | H51 | 76.5° | 60.0° |
| H4 | C4 | C5 | H52 | 174.0° | 180.0° |
| H4 | C4 | O4 | HO4 | 62.3° | 180.0° |
| O5 | C5 | H51 | H52 | 116.7° | 120.0° |
| C5 | O5 | P2 | O4P | 173.7° | 60.0° |
| C5 | O5 | P2 | O5P | 57.4° | 180.0° |
| C5 | O5 | P2 | O6P | 59.6° | 60.0° |
| H51 | C5 | O5 | P2 | 124.2° | 60.0° |
| H52 | C5 | O5 | P2 | 14.7° | 59.9° |
| O1 | P1 | O1P | O2P | 114.4° | 120.1° |
| O1 | P1 | O1P | O3P | 125.6° | 120.0° |
| O1 | P1 | O2P | O3P | 113.9° | 120.0° |
| O1 | P1 | O2P | HOP2 | 180.0° | 180.0° |
| O1 | P1 | O3P | HOP3 | 179.9° | 60.1° |
| O5 | P2 | O4P | O5P | 110.8° | 120.1° |
| O5 | P2 | O4P | O6P | 114.9° | 120.0° |
| O5 | P2 | O5P | O6P | 110.4° | 120.0° |
| O5 | P2 | O5P | HOP5 | 180.0° | 180.0° |
| O5 | P2 | O6P | HOP6 | 179.9° | 60.0° |
| O1P | P1 | O2P | O3P | 127.3° | 119.9° |
| O1P | P1 | O2P | HOP2 | 61.2° | 60.0° |
| O1P | P1 | O3P | HOP3 | 52.3° | 180.0° |
| O2P | P1 | O3P | HOP3 | 67.5° | 60.0° |
| O3P | P1 | O2P | HOP2 | 66.1° | 59.9° |
| O4P | P2 | O5P | O6P | 138.3° | 120.0° |
| O4P | P2 | O5P | HOP5 | 68.8° | 59.9° |
| O4P | P2 | O6P | HOP6 | 64.6° | 180.0° |
| O5P | P2 | O6P | HOP6 | 69.3° | 60.1° |
| O6P | P2 | O5P | HOP5 | 69.6° | 60.1° |
