43Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.43Å | |
| C | C1 | sing | 1.51Å | 1.48Å | |
| O1 | C3 | sing | 1.43Å | 1.38Å | |
| C1 | C3 | sing | 1.51Å | 1.49Å | |
| C1 | C2 | sing | 1.51Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.41Å | |
| O4 | P1 | doub | 1.48Å | 1.50Å | |
| C4 | O2 | sing | 1.43Å | 1.42Å | |
| O6 | P1 | sing | 1.61Å | 1.51Å | |
| P1 | O3 | sing | 1.61Å | 1.63Å | |
| P1 | O5 | sing | 1.61Å | 1.50Å | |
| O2 | P | sing | 1.61Å | 1.58Å | |
| O3 | P | sing | 1.61Å | 1.59Å | |
| P | O8 | doub | 1.48Å | 1.48Å | |
| P | O7 | sing | 1.61Å | 1.51Å | |
| O6 | H1 | sing | 0.97Å | 0.95Å | |
| O5 | H2 | sing | 0.97Å | 0.95Å | |
| O7 | H3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| O | H10 | sing | 0.97Å | 0.95Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| O1 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C1 | 102.1° | 109.5° |
| O | C | H8 | 111.3° | 109.5° |
| O | C | H9 | 111.3° | 109.4° |
| C | O | H10 | 109.5° | 114.0° |
| C | C1 | C3 | 113.5° | 120.0° |
| C | C1 | C2 | 118.5° | 120.0° |
| C1 | C | H8 | 111.3° | 109.5° |
| C1 | C | H9 | 111.3° | 109.5° |
| O1 | C3 | C1 | 114.8° | 109.5° |
| O1 | C3 | C4 | 112.5° | 109.5° |
| O1 | C3 | H6 | 101.8° | 109.5° |
| C3 | O1 | H14 | 109.5° | 114.0° |
| C3 | C1 | C2 | 127.4° | 119.9° |
| C1 | C3 | C4 | 121.2° | 109.5° |
| C1 | C3 | H6 | 100.9° | 109.4° |
| C1 | C2 | H11 | 109.5° | 109.5° |
| C1 | C2 | H12 | 109.4° | 109.4° |
| C1 | C2 | H13 | 109.5° | 109.5° |
| C3 | C4 | O2 | 122.5° | 109.4° |
| C3 | C4 | H4 | 106.1° | 109.5° |
| C3 | C4 | H5 | 106.1° | 109.5° |
| C4 | C3 | H6 | 101.5° | 109.5° |
| O4 | P1 | O6 | 113.6° | 109.5° |
| O4 | P1 | O3 | 102.7° | 109.5° |
| O4 | P1 | O5 | 111.1° | 109.5° |
| C4 | O2 | P | 120.2° | 123.0° |
| O2 | C4 | H4 | 106.1° | 109.5° |
| O2 | C4 | H5 | 106.2° | 109.4° |
| O6 | P1 | O3 | 107.6° | 109.5° |
| O6 | P1 | O5 | 112.4° | 109.5° |
| P1 | O6 | H1 | 109.5° | 114.0° |
| O3 | P1 | O5 | 108.8° | 109.5° |
| P1 | O3 | P | 127.8° | 134.0° |
| P1 | O5 | H2 | 109.5° | 114.0° |
| O2 | P | O3 | 107.6° | 109.5° |
| O2 | P | O8 | 108.6° | 109.5° |
| O2 | P | O7 | 105.6° | 109.4° |
| O3 | P | O8 | 104.2° | 109.5° |
| O3 | P | O7 | 111.8° | 109.5° |
| O8 | P | O7 | 118.6° | 109.5° |
| P | O7 | H3 | 109.5° | 114.1° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H8 | C | H9 | 109.5° | 109.5° |
| H11 | C2 | H12 | 109.5° | 109.5° |
| H11 | C2 | H13 | 109.5° | 109.5° |
| H12 | C2 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C1 | H8 | 118.8° | 120.1° |
| O | C | C1 | H9 | 118.8° | 120.0° |
| O | C | C1 | C3 | 36.8° | 179.9° |
| O | C | C1 | C2 | 134.9° | 0.0° |
| O | C | H8 | H9 | 123.5° | 120.0° |
| C | C1 | C3 | O1 | 80.4° | 60.0° |
| C | C1 | C3 | C2 | 170.8° | 180.0° |
| C | C1 | C3 | C4 | 139.0° | 180.0° |
| C | C1 | C3 | H6 | 28.2° | 60.0° |
| C1 | C | H8 | H9 | 123.4° | 120.0° |
| C1 | C | O | H10 | 180.0° | 180.0° |
| C | C1 | C2 | H11 | 180.0° | 90.0° |
| C | C1 | C2 | H12 | 60.0° | 30.0° |
| C | C1 | C2 | H13 | 60.0° | 150.0° |
| O1 | C3 | C1 | C4 | 140.6° | 120.0° |
| O1 | C3 | C1 | H6 | 108.6° | 120.0° |
| O1 | C3 | C1 | C2 | 108.8° | 120.0° |
| O1 | C3 | C4 | H6 | 108.1° | 120.0° |
| O1 | C3 | C4 | O2 | 165.6° | 65.0° |
| O1 | C3 | C4 | H4 | 43.8° | 55.0° |
| O1 | C3 | C4 | H5 | 72.6° | 175.1° |
| C1 | C3 | C4 | H6 | 110.5° | 120.0° |
| C1 | C3 | C4 | O2 | 24.1° | 175.0° |
| C1 | C3 | C4 | H4 | 97.7° | 65.1° |
| C1 | C3 | C4 | H5 | 145.9° | 55.0° |
| C3 | C1 | C | H8 | 155.6° | 60.0° |
| C3 | C1 | C | H9 | 82.0° | 60.0° |
| C3 | C1 | C2 | H11 | 9.6° | 90.0° |
| C3 | C1 | C2 | H12 | 110.4° | 150.0° |
| C3 | C1 | C2 | H13 | 129.6° | 30.0° |
| C1 | C3 | O1 | H14 | 180.0° | 60.0° |
| C2 | C1 | C3 | C4 | 31.8° | 0.0° |
| C2 | C1 | C3 | H6 | 142.6° | 120.0° |
| C2 | C1 | C | H8 | 16.1° | 120.0° |
| C2 | C1 | C | H9 | 106.3° | 120.0° |
| C1 | C2 | H11 | H12 | 120.0° | 119.9° |
| C1 | C2 | H11 | H13 | 120.0° | 120.1° |
| C1 | C2 | H12 | H13 | 120.0° | 120.1° |
| C3 | C4 | O2 | H4 | 121.8° | 120.0° |
| C3 | C4 | O2 | H5 | 121.8° | 120.0° |
| C3 | C4 | O2 | P | 122.8° | 180.0° |
| C3 | C4 | H4 | H5 | 114.1° | 120.0° |
| C4 | C3 | O1 | H14 | 35.9° | 60.0° |
| O4 | P1 | O6 | O3 | 113.0° | 120.0° |
| O4 | P1 | O6 | O5 | 127.3° | 120.0° |
| O4 | P1 | O3 | O5 | 117.9° | 120.0° |
| O4 | P1 | O3 | P | 169.1° | 45.0° |
| O4 | P1 | O6 | H1 | 0.0° | 180.0° |
| O4 | P1 | O5 | H2 | 0.0° | 60.0° |
| C4 | O2 | P | O3 | 64.8° | 175.0° |
| C4 | O2 | P | O8 | 47.5° | 55.0° |
| C4 | O2 | P | O7 | 175.6° | 65.1° |
| O2 | C4 | H4 | H5 | 114.2° | 120.0° |
| O2 | C4 | C3 | H6 | 86.4° | 55.0° |
| O6 | P1 | O3 | O5 | 122.0° | 120.0° |
| O6 | P1 | O3 | P | 49.0° | 75.0° |
| O6 | P1 | O5 | H2 | 128.6° | 59.9° |
| P1 | O3 | P | O2 | 70.2° | 160.0° |
| P1 | O3 | P | O8 | 174.6° | 40.0° |
| P1 | O3 | P | O7 | 45.3° | 80.0° |
| O3 | P1 | O6 | H1 | 113.0° | 60.0° |
| O3 | P1 | O5 | H2 | 112.4° | 180.0° |
| O5 | P1 | O3 | P | 73.0° | 165.0° |
| O5 | P1 | O6 | H1 | 127.3° | 60.0° |
| O2 | P | O3 | O8 | 115.2° | 120.0° |
| O2 | P | O3 | O7 | 115.5° | 119.9° |
| O2 | P | O8 | O7 | 120.4° | 120.0° |
| O2 | P | O7 | H3 | 121.9° | 60.0° |
| P | O2 | C4 | H4 | 115.4° | 60.0° |
| P | O2 | C4 | H5 | 1.0° | 60.0° |
| O3 | P | O8 | O7 | 125.1° | 120.0° |
| O3 | P | O7 | H3 | 121.3° | 60.0° |
| O8 | P | O7 | H3 | 0.0° | 180.0° |
| H4 | C4 | C3 | H6 | 151.8° | 175.0° |
| H5 | C4 | C3 | H6 | 35.4° | 64.9° |
| H6 | C3 | O1 | H14 | 72.0° | 180.0° |
| H8 | C | O | H10 | 61.2° | 60.0° |
| H9 | C | O | H10 | 61.2° | 60.0° |
| H11 | C2 | H12 | H13 | 120.0° | 120.0° |
