XGP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP2 | P | doub | 1.48Å | 1.50Å | |
| P | O1 | sing | 1.61Å | 1.62Å | |
| P | OP3 | sing | 1.61Å | 1.62Å | |
| P | OP4 | sing | 1.61Å | 1.62Å | |
| O5 | C1 | sing | 1.43Å | 1.45Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C6 | C5 | sing | 1.53Å | 1.56Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O6 | C6 | sing | 1.43Å | 1.45Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| OP4 | HOP4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP2 | P | O1 | 112.4° | 109.4° |
| OP2 | P | OP3 | 114.6° | 109.5° |
| OP2 | P | OP4 | 110.8° | 109.5° |
| O1 | P | OP3 | 107.8° | 109.5° |
| O1 | P | OP4 | 103.5° | 109.4° |
| P | O1 | C1 | 117.1° | 123.0° |
| OP3 | P | OP4 | 107.1° | 109.5° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| P | OP4 | HOP4 | 109.5° | 114.0° |
| O5 | C1 | O1 | 112.9° | 109.5° |
| O5 | C1 | C2 | 112.4° | 109.4° |
| O5 | C1 | H1 | 103.3° | 109.5° |
| C1 | O5 | C5 | 106.9° | 114.1° |
| O1 | C1 | C2 | 103.4° | 109.5° |
| O1 | C1 | H1 | 112.3° | 109.5° |
| C2 | C1 | H1 | 112.9° | 109.5° |
| C1 | C2 | C3 | 110.1° | 109.1° |
| C1 | C2 | O2 | 110.0° | 109.5° |
| C1 | C2 | H2 | 110.1° | 109.5° |
| C3 | C2 | O2 | 113.1° | 109.6° |
| C3 | C2 | H2 | 106.7° | 109.6° |
| C2 | C3 | C4 | 104.6° | 109.1° |
| C2 | C3 | O3 | 109.3° | 109.5° |
| C2 | C3 | H3 | 113.0° | 109.5° |
| O2 | C2 | H2 | 106.8° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C4 | C3 | O3 | 110.2° | 109.5° |
| C4 | C3 | H3 | 112.1° | 109.6° |
| C3 | C4 | O4 | 111.9° | 109.6° |
| C3 | C4 | C5 | 109.1° | 109.1° |
| C3 | C4 | H4 | 108.7° | 109.5° |
| O3 | C3 | H3 | 107.7° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O4 | C4 | C5 | 111.2° | 109.6° |
| O4 | C4 | H4 | 106.5° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | C4 | H4 | 109.4° | 109.5° |
| C4 | C5 | C6 | 111.7° | 109.4° |
| C4 | C5 | O5 | 105.2° | 109.4° |
| C4 | C5 | H5 | 112.0° | 109.5° |
| C6 | C5 | O5 | 112.4° | 109.5° |
| C6 | C5 | H5 | 104.5° | 109.5° |
| C5 | C6 | O6 | 112.0° | 109.5° |
| C5 | C6 | H61 | 108.6° | 109.5° |
| C5 | C6 | H62 | 108.6° | 109.5° |
| O5 | C5 | H5 | 111.2° | 109.6° |
| O6 | C6 | H61 | 108.6° | 109.4° |
| O6 | C6 | H62 | 108.7° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 110.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP2 | P | O1 | OP3 | 127.2° | 120.0° |
| OP2 | P | O1 | OP4 | 119.5° | 120.0° |
| OP2 | P | OP3 | OP4 | 123.3° | 120.1° |
| OP2 | P | O1 | C1 | 57.7° | 55.0° |
| OP2 | P | OP3 | HOP3 | 0.0° | 180.0° |
| OP2 | P | OP4 | HOP4 | 0.0° | 60.0° |
| O1 | P | OP3 | OP4 | 110.8° | 120.0° |
| P | O1 | C1 | O5 | 74.8° | 90.0° |
| P | O1 | C1 | C2 | 163.5° | 150.0° |
| P | O1 | C1 | H1 | 41.6° | 30.0° |
| O1 | P | OP3 | HOP3 | 125.9° | 60.0° |
| O1 | P | OP4 | HOP4 | 120.6° | 180.0° |
| OP3 | P | O1 | C1 | 69.5° | 65.0° |
| OP3 | P | OP4 | HOP4 | 125.7° | 60.0° |
| OP4 | P | O1 | C1 | 177.3° | 175.0° |
| OP4 | P | OP3 | HOP3 | 123.4° | 60.0° |
| O5 | C1 | O1 | C2 | 121.7° | 119.9° |
| O5 | C1 | O1 | H1 | 116.3° | 120.0° |
| O5 | C1 | C2 | H1 | 116.4° | 120.0° |
| O5 | C1 | C2 | C3 | 57.4° | 57.6° |
| O5 | C1 | C2 | O2 | 177.3° | 177.5° |
| O5 | C1 | C2 | H2 | 59.9° | 62.4° |
| C1 | O5 | C5 | C4 | 68.6° | 61.2° |
| C1 | O5 | C5 | C6 | 169.6° | 178.9° |
| C1 | O5 | C5 | H5 | 52.8° | 58.8° |
| O1 | C1 | C2 | H1 | 121.6° | 120.0° |
| O1 | C1 | C2 | C3 | 179.5° | 177.6° |
| O1 | C1 | C2 | O2 | 55.2° | 62.5° |
| O1 | C1 | C2 | H2 | 62.1° | 57.7° |
| O1 | C1 | O5 | C5 | 179.3° | 178.8° |
| C1 | C2 | C3 | O2 | 123.5° | 119.9° |
| C1 | C2 | C3 | H2 | 119.4° | 119.9° |
| C1 | C2 | O2 | H2 | 119.4° | 120.1° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | C4 | 54.0° | 57.0° |
| C1 | C2 | C3 | O3 | 172.0° | 176.9° |
| C1 | C2 | C3 | H3 | 68.2° | 63.0° |
| C2 | C1 | O5 | C5 | 64.2° | 61.2° |
| H1 | C1 | C2 | C3 | 58.9° | 62.4° |
| H1 | C1 | C2 | O2 | 66.4° | 57.5° |
| H1 | C1 | C2 | H2 | 176.3° | 177.7° |
| H1 | C1 | O5 | C5 | 57.7° | 58.8° |
| C3 | C2 | O2 | H2 | 117.1° | 120.2° |
| C3 | C2 | O2 | HO2 | 56.4° | 179.7° |
| C2 | C3 | C4 | O3 | 117.4° | 119.9° |
| C2 | C3 | C4 | H3 | 122.8° | 119.9° |
| C2 | C3 | O3 | H3 | 123.0° | 120.1° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | O4 | 174.5° | 176.9° |
| C2 | C3 | C4 | C5 | 62.1° | 56.9° |
| C2 | C3 | C4 | H4 | 57.2° | 62.9° |
| O2 | C2 | C3 | C4 | 177.5° | 176.9° |
| O2 | C2 | C3 | O3 | 64.5° | 63.2° |
| O2 | C2 | C3 | H3 | 55.3° | 56.9° |
| H2 | C2 | O2 | HO2 | 60.6° | 60.1° |
| H2 | C2 | C3 | C4 | 65.4° | 62.9° |
| H2 | C2 | C3 | O3 | 52.6° | 57.0° |
| H2 | C2 | C3 | H3 | 172.4° | 177.1° |
| C4 | C3 | O3 | H3 | 122.5° | 120.3° |
| C4 | C3 | O3 | HO3 | 65.5° | 179.6° |
| C3 | C4 | O4 | C5 | 122.3° | 119.7° |
| C3 | C4 | O4 | H4 | 118.6° | 120.2° |
| C3 | C4 | C5 | H4 | 118.8° | 119.9° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | C6 | 166.6° | 177.6° |
| C3 | C4 | C5 | O5 | 71.1° | 57.6° |
| C3 | C4 | C5 | H5 | 49.7° | 62.5° |
| O3 | C3 | C4 | O4 | 57.1° | 63.2° |
| O3 | C3 | C4 | C5 | 179.5° | 176.8° |
| O3 | C3 | C4 | H4 | 60.2° | 57.0° |
| H3 | C3 | O3 | HO3 | 57.0° | 60.1° |
| H3 | C3 | C4 | O4 | 62.8° | 57.0° |
| H3 | C3 | C4 | C5 | 60.7° | 63.0° |
| H3 | C3 | C4 | H4 | 179.9° | 177.2° |
| O4 | C4 | C5 | H4 | 117.3° | 120.1° |
| O4 | C4 | C5 | C6 | 42.7° | 62.5° |
| O4 | C4 | C5 | O5 | 165.0° | 177.6° |
| O4 | C4 | C5 | H5 | 74.2° | 57.5° |
| C5 | C4 | O4 | HO4 | 57.7° | 179.7° |
| C4 | C5 | C6 | O5 | 118.0° | 119.9° |
| C4 | C5 | C6 | H5 | 121.3° | 120.0° |
| C4 | C5 | O5 | H5 | 121.4° | 120.0° |
| C4 | C5 | C6 | O6 | 146.8° | 175.0° |
| C4 | C5 | C6 | H61 | 93.3° | 55.0° |
| C4 | C5 | C6 | H62 | 26.7° | 65.0° |
| H4 | C4 | O4 | HO4 | 61.4° | 60.1° |
| H4 | C4 | C5 | C6 | 74.6° | 57.7° |
| H4 | C4 | C5 | O5 | 47.6° | 62.3° |
| H4 | C4 | C5 | H5 | 168.5° | 177.7° |
| C6 | C5 | O5 | H5 | 116.8° | 120.0° |
| C5 | C6 | O6 | H61 | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H62 | 119.0° | 120.1° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C5 | C6 | O6 | 28.8° | 65.1° |
| O5 | C5 | C6 | H61 | 148.8° | 174.9° |
| O5 | C5 | C6 | H62 | 91.2° | 54.9° |
| H5 | C5 | C6 | O6 | 92.0° | 55.0° |
| H5 | C5 | C6 | H61 | 28.0° | 65.0° |
| H5 | C5 | C6 | H62 | 148.0° | 175.0° |
| O6 | C6 | H61 | H62 | 119.0° | 120.0° |
| H61 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H62 | C6 | O6 | HO6 | 60.0° | 60.0° |
