KSV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C4 | sing | 1.43Å | 1.39Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| O3 | P1 | doub | 1.48Å | 1.48Å | |
| O6 | C5 | sing | 1.43Å | 1.40Å | |
| C3 | O4 | sing | 1.43Å | 1.38Å | |
| O2 | P1 | sing | 1.61Å | 1.50Å | |
| P1 | O4 | sing | 1.61Å | 1.70Å | |
| P1 | O1 | sing | 1.61Å | 1.68Å | |
| O1 | C2 | sing | 1.43Å | 1.38Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| O2 | H11 | sing | 0.97Å | 0.95Å | |
| O5 | H12 | sing | 0.97Å | 0.95Å | |
| O6 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C4 | C3 | 112.0° | 109.5° |
| O5 | C4 | C5 | 110.4° | 109.5° |
| O5 | C4 | H5 | 109.9° | 109.5° |
| C4 | O5 | H12 | 109.5° | 114.0° |
| C3 | C4 | C5 | 108.9° | 109.5° |
| C4 | C3 | O4 | 107.7° | 109.4° |
| C4 | C3 | H3 | 109.9° | 109.5° |
| C4 | C3 | H4 | 109.9° | 109.5° |
| C3 | C4 | H5 | 107.8° | 109.5° |
| C4 | C5 | O6 | 106.8° | 109.5° |
| C5 | C4 | H5 | 107.7° | 109.4° |
| C4 | C5 | H6 | 110.2° | 109.5° |
| C4 | C5 | H7 | 110.2° | 109.4° |
| O3 | P1 | O2 | 125.4° | 109.5° |
| O3 | P1 | O4 | 105.9° | 109.4° |
| O3 | P1 | O1 | 106.6° | 109.5° |
| O6 | C5 | H6 | 110.1° | 109.5° |
| O6 | C5 | H7 | 110.1° | 109.5° |
| C5 | O6 | H13 | 109.5° | 114.0° |
| C3 | O4 | P1 | 117.9° | 123.0° |
| O4 | C3 | H3 | 109.9° | 109.5° |
| O4 | C3 | H4 | 109.9° | 109.5° |
| O2 | P1 | O4 | 107.8° | 109.5° |
| O2 | P1 | O1 | 107.3° | 109.5° |
| P1 | O2 | H11 | 109.5° | 114.0° |
| O4 | P1 | O1 | 101.5° | 109.5° |
| P1 | O1 | C2 | 119.3° | 123.0° |
| O1 | C2 | C1 | 108.4° | 109.5° |
| O1 | C2 | H1 | 109.8° | 109.5° |
| O1 | C2 | H2 | 109.8° | 109.5° |
| C1 | C2 | H1 | 109.7° | 109.4° |
| C1 | C2 | H2 | 109.8° | 109.4° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.4° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H3 | C3 | H4 | 109.4° | 109.5° |
| H6 | C5 | H7 | 109.4° | 109.4° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H10 | 109.4° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C4 | C3 | C5 | 122.5° | 120.0° |
| O5 | C4 | C3 | H5 | 121.0° | 120.1° |
| O5 | C4 | C5 | H5 | 120.0° | 120.0° |
| O5 | C4 | C5 | O6 | 36.9° | 64.9° |
| O5 | C4 | C3 | O4 | 37.0° | 65.0° |
| O5 | C4 | C3 | H3 | 156.8° | 55.0° |
| O5 | C4 | C3 | H4 | 82.7° | 175.0° |
| O5 | C4 | C5 | H6 | 156.5° | 175.0° |
| O5 | C4 | C5 | H7 | 82.7° | 55.1° |
| C3 | C4 | C5 | H5 | 116.6° | 119.9° |
| C3 | C4 | C5 | O6 | 160.3° | 175.0° |
| C4 | C3 | O4 | H3 | 119.7° | 120.0° |
| C4 | C3 | O4 | H4 | 119.7° | 120.0° |
| C4 | C3 | O4 | P1 | 144.0° | 180.0° |
| C4 | C3 | H3 | H4 | 120.8° | 120.1° |
| C3 | C4 | C5 | H6 | 80.1° | 54.9° |
| C3 | C4 | C5 | H7 | 40.8° | 65.0° |
| C3 | C4 | O5 | H12 | 180.0° | 60.0° |
| C4 | C5 | O6 | H6 | 119.6° | 120.1° |
| C4 | C5 | O6 | H7 | 119.6° | 120.0° |
| C5 | C4 | C3 | O4 | 85.4° | 175.0° |
| C5 | C4 | C3 | H3 | 34.3° | 65.1° |
| C5 | C4 | C3 | H4 | 154.8° | 55.0° |
| C4 | C5 | H6 | H7 | 121.3° | 119.9° |
| C5 | C4 | O5 | H12 | 58.4° | 60.1° |
| C4 | C5 | O6 | H13 | 180.0° | 179.9° |
| O3 | P1 | O4 | C3 | 21.0° | 55.0° |
| O3 | P1 | O2 | O4 | 125.4° | 120.0° |
| O3 | P1 | O2 | O1 | 125.9° | 120.0° |
| O3 | P1 | O4 | O1 | 111.1° | 120.0° |
| O3 | P1 | O1 | C2 | 21.8° | 55.0° |
| O3 | P1 | O2 | H11 | 0.0° | 180.0° |
| O6 | C5 | C4 | H5 | 83.0° | 55.1° |
| O6 | C5 | H6 | H7 | 121.2° | 120.0° |
| C3 | O4 | P1 | O2 | 157.3° | 65.0° |
| C3 | O4 | P1 | O1 | 90.1° | 175.0° |
| O4 | C3 | H3 | H4 | 120.8° | 120.0° |
| O4 | C3 | C4 | H5 | 158.0° | 55.0° |
| O2 | P1 | O4 | O1 | 112.6° | 120.1° |
| O2 | P1 | O1 | C2 | 158.2° | 65.0° |
| O4 | P1 | O1 | C2 | 88.8° | 175.0° |
| P1 | O4 | C3 | H3 | 96.3° | 60.0° |
| P1 | O4 | C3 | H4 | 24.2° | 60.0° |
| O4 | P1 | O2 | H11 | 125.5° | 60.0° |
| P1 | O1 | C2 | C1 | 179.4° | 180.0° |
| P1 | O1 | C2 | H1 | 60.8° | 60.0° |
| P1 | O1 | C2 | H2 | 59.5° | 60.0° |
| O1 | P1 | O2 | H11 | 125.9° | 60.0° |
| O1 | C2 | C1 | H1 | 119.9° | 120.0° |
| O1 | C2 | C1 | H2 | 119.9° | 120.0° |
| O1 | C2 | H1 | H2 | 120.5° | 120.0° |
| O1 | C2 | C1 | H8 | 180.0° | 180.0° |
| O1 | C2 | C1 | H9 | 60.0° | 59.9° |
| O1 | C2 | C1 | H10 | 60.0° | 60.0° |
| C1 | C2 | H1 | H2 | 120.5° | 119.9° |
| C2 | C1 | H8 | H9 | 120.0° | 120.1° |
| C2 | C1 | H8 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H10 | 120.0° | 119.9° |
| H1 | C2 | C1 | H8 | 60.1° | 60.0° |
| H1 | C2 | C1 | H9 | 179.9° | 60.1° |
| H1 | C2 | C1 | H10 | 59.8° | 180.0° |
| H2 | C2 | C1 | H8 | 60.2° | 60.0° |
| H2 | C2 | C1 | H9 | 59.8° | 180.0° |
| H2 | C2 | C1 | H10 | 179.9° | 60.1° |
| H3 | C3 | C4 | H5 | 82.3° | 175.0° |
| H4 | C3 | C4 | H5 | 38.2° | 64.9° |
| H5 | C4 | C5 | H6 | 36.5° | 65.0° |
| H5 | C4 | C5 | H7 | 157.4° | 175.1° |
| H5 | C4 | O5 | H12 | 60.2° | 180.0° |
| H6 | C5 | O6 | H13 | 60.4° | 60.0° |
| H7 | C5 | O6 | H13 | 60.4° | 60.0° |
| H8 | C1 | H9 | H10 | 119.9° | 120.0° |
