MRP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.08Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | H3 | sing | 1.09Å | 1.09Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.09Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.42Å | 1.42Å | |
| C5 | H5 | sing | 1.09Å | 1.09Å | |
| C6 | H61 | sing | 1.09Å | 1.09Å | |
| C6 | H62 | sing | 1.09Å | 1.09Å | |
| C6 | H63 | sing | 1.09Å | 1.09Å | |
| C7 | O3 | sing | 1.43Å | 1.42Å | |
| C7 | H71 | sing | 1.09Å | 1.09Å | |
| C7 | H72 | sing | 1.09Å | 1.09Å | |
| C7 | H73 | sing | 1.09Å | 1.09Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.97Å | |
| O4 | HO4 | sing | 0.97Å | 0.96Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 108.4° | 109.2° |
| C2 | C1 | O5 | 109.7° | 109.9° |
| C2 | C1 | H1 | 110.3° | 109.4° |
| C1 | C2 | C3 | 108.6° | 109.0° |
| C1 | C2 | O2 | 114.5° | 109.6° |
| C1 | C2 | H2 | 107.8° | 109.5° |
| O1 | C1 | O5 | 108.5° | 109.4° |
| O1 | C1 | H1 | 111.6° | 109.4° |
| C1 | O1 | HO1 | 108.4° | 106.8° |
| O5 | C1 | H1 | 108.3° | 109.5° |
| C1 | O5 | C5 | 116.2° | 107.6° |
| C3 | C2 | O2 | 109.8° | 109.4° |
| C3 | C2 | H2 | 105.1° | 109.8° |
| C2 | C3 | C4 | 110.7° | 108.8° |
| C2 | C3 | O3 | 112.0° | 109.6° |
| C2 | C3 | H3 | 105.7° | 109.6° |
| O2 | C2 | H2 | 110.6° | 109.5° |
| C2 | O2 | HO2 | 110.3° | 106.7° |
| C4 | C3 | O3 | 110.4° | 109.6° |
| C4 | C3 | H3 | 107.9° | 109.6° |
| C3 | C4 | C5 | 109.6° | 109.0° |
| C3 | C4 | O4 | 112.8° | 109.6° |
| C3 | C4 | H4 | 108.0° | 109.5° |
| O3 | C3 | H3 | 110.0° | 109.6° |
| C3 | O3 | C7 | 116.3° | 106.8° |
| C5 | C4 | O4 | 110.5° | 109.7° |
| C5 | C4 | H4 | 106.7° | 109.5° |
| C4 | C5 | C6 | 113.2° | 109.5° |
| C4 | C5 | O5 | 110.8° | 109.8° |
| C4 | C5 | H5 | 109.5° | 109.4° |
| O4 | C4 | H4 | 109.1° | 109.5° |
| C4 | O4 | HO4 | 108.8° | 106.9° |
| C6 | C5 | O5 | 105.9° | 109.4° |
| C6 | C5 | H5 | 108.4° | 109.4° |
| C5 | C6 | H61 | 111.2° | 109.5° |
| C5 | C6 | H62 | 111.2° | 109.4° |
| C5 | C6 | H63 | 109.9° | 109.5° |
| O5 | C5 | H5 | 108.9° | 109.4° |
| H61 | C6 | H62 | 108.3° | 109.5° |
| H61 | C6 | H63 | 108.1° | 109.5° |
| H62 | C6 | H63 | 108.1° | 109.3° |
| O3 | C7 | H71 | 111.2° | 109.5° |
| O3 | C7 | H72 | 111.9° | 109.4° |
| O3 | C7 | H73 | 109.9° | 109.5° |
| H71 | C7 | H72 | 108.3° | 109.5° |
| H71 | C7 | H73 | 108.0° | 109.5° |
| H72 | C7 | H73 | 107.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O5 | 119.1° | 120.4° |
| C2 | C1 | O1 | H1 | 121.7° | 119.7° |
| C2 | C1 | O5 | H1 | 120.5° | 120.2° |
| C1 | C2 | C3 | O2 | 125.9° | 119.8° |
| C1 | C2 | C3 | H2 | 115.1° | 120.0° |
| C1 | C2 | O2 | H2 | 122.0° | 120.2° |
| C1 | C2 | C3 | C4 | 54.8° | 53.5° |
| C1 | C2 | C3 | O3 | 178.4° | 173.3° |
| C1 | C2 | C3 | H3 | 61.8° | 66.4° |
| C2 | C1 | O5 | C5 | 60.6° | 67.5° |
| C2 | C1 | O1 | HO1 | 179.9° | 179.6° |
| C1 | C2 | O2 | HO2 | 79.9° | 60.0° |
| O1 | C1 | O5 | H1 | 121.3° | 119.8° |
| O1 | C1 | C2 | C3 | 62.2° | 59.1° |
| O1 | C1 | C2 | O2 | 174.7° | 178.7° |
| O1 | C1 | C2 | H2 | 51.2° | 61.1° |
| O1 | C1 | O5 | C5 | 57.7° | 52.5° |
| O5 | C1 | C2 | C3 | 56.1° | 61.0° |
| O5 | C1 | C2 | O2 | 67.0° | 58.7° |
| O5 | C1 | C2 | H2 | 169.5° | 178.9° |
| C1 | O5 | C5 | C4 | 59.2° | 67.5° |
| C1 | O5 | C5 | C6 | 177.7° | 172.3° |
| C1 | O5 | C5 | H5 | 61.3° | 52.5° |
| O5 | C1 | O1 | HO1 | 61.0° | 60.0° |
| H1 | C1 | C2 | C3 | 175.4° | 178.8° |
| H1 | C1 | C2 | O2 | 52.3° | 61.5° |
| H1 | C1 | C2 | H2 | 71.3° | 58.7° |
| H1 | C1 | O5 | C5 | 179.0° | 172.3° |
| H1 | C1 | O1 | HO1 | 58.3° | 59.9° |
| C3 | C2 | O2 | H2 | 115.5° | 120.3° |
| C2 | C3 | C4 | O3 | 124.5° | 119.9° |
| C2 | C3 | C4 | H3 | 115.2° | 119.8° |
| C2 | C3 | O3 | H3 | 117.2° | 120.3° |
| C2 | C3 | C4 | C5 | 53.5° | 53.6° |
| C2 | C3 | C4 | O4 | 177.0° | 173.6° |
| C2 | C3 | C4 | H4 | 62.4° | 66.2° |
| C2 | C3 | O3 | C7 | 113.6° | 90.3° |
| C3 | C2 | O2 | HO2 | 157.6° | 179.5° |
| O2 | C2 | C3 | C4 | 71.1° | 66.3° |
| O2 | C2 | C3 | O3 | 52.5° | 53.5° |
| O2 | C2 | C3 | H3 | 172.3° | 173.8° |
| H2 | C2 | C3 | C4 | 170.0° | 173.5° |
| H2 | C2 | C3 | O3 | 66.4° | 66.7° |
| H2 | C2 | C3 | H3 | 53.3° | 53.6° |
| H2 | C2 | O2 | HO2 | 42.1° | 60.2° |
| C4 | C3 | O3 | H3 | 119.0° | 120.3° |
| C3 | C4 | C5 | O4 | 124.9° | 120.0° |
| C3 | C4 | C5 | H4 | 116.7° | 119.8° |
| C3 | C4 | O4 | H4 | 120.0° | 120.2° |
| C3 | C4 | C5 | C6 | 172.1° | 178.7° |
| C3 | C4 | C5 | O5 | 53.2° | 61.2° |
| C3 | C4 | C5 | H5 | 66.9° | 58.8° |
| C4 | C3 | O3 | C7 | 122.5° | 150.3° |
| C3 | C4 | O4 | HO4 | 51.4° | 179.9° |
| O3 | C3 | C4 | C5 | 178.0° | 173.4° |
| O3 | C3 | C4 | O4 | 58.5° | 66.5° |
| O3 | C3 | C4 | H4 | 62.1° | 53.7° |
| C3 | O3 | C7 | H71 | 60.8° | 180.0° |
| C3 | O3 | C7 | H72 | 60.5° | 60.0° |
| C3 | O3 | C7 | H73 | 179.6° | 60.0° |
| H3 | C3 | C4 | C5 | 61.8° | 66.2° |
| H3 | C3 | C4 | O4 | 61.8° | 53.8° |
| H3 | C3 | C4 | H4 | 177.7° | 174.0° |
| H3 | C3 | O3 | C7 | 3.6° | 29.9° |
| C5 | C4 | O4 | H4 | 117.0° | 120.2° |
| C4 | C5 | C6 | O5 | 121.6° | 120.4° |
| C4 | C5 | C6 | H5 | 121.7° | 119.8° |
| C4 | C5 | O5 | H5 | 120.4° | 120.0° |
| C4 | C5 | C6 | H61 | 58.6° | 180.0° |
| C4 | C5 | C6 | H62 | 62.1° | 60.0° |
| C4 | C5 | C6 | H63 | 178.2° | 59.8° |
| C5 | C4 | O4 | HO4 | 174.5° | 60.3° |
| O4 | C4 | C5 | C6 | 63.1° | 58.7° |
| O4 | C4 | C5 | O5 | 178.1° | 178.8° |
| O4 | C4 | C5 | H5 | 58.0° | 61.1° |
| H4 | C4 | C5 | C6 | 55.4° | 61.5° |
| H4 | C4 | C5 | O5 | 63.5° | 58.6° |
| H4 | C4 | C5 | H5 | 176.4° | 178.7° |
| H4 | C4 | O4 | HO4 | 68.5° | 59.9° |
| C6 | C5 | O5 | H5 | 116.4° | 119.8° |
| C5 | C6 | H61 | H62 | 122.4° | 120.0° |
| C5 | C6 | H61 | H63 | 120.7° | 120.1° |
| C5 | C6 | H62 | H63 | 120.7° | 120.0° |
| O5 | C5 | C6 | H61 | 63.1° | 59.6° |
| O5 | C5 | C6 | H62 | 176.3° | 60.4° |
| O5 | C5 | C6 | H63 | 56.6° | 179.8° |
| H5 | C5 | C6 | H61 | 179.8° | 60.1° |
| H5 | C5 | C6 | H62 | 59.6° | 179.8° |
| H5 | C5 | C6 | H63 | 60.1° | 60.0° |
| H61 | C6 | H62 | H63 | 116.9° | 120.0° |
| O3 | C7 | H71 | H72 | 123.4° | 120.0° |
| O3 | C7 | H71 | H73 | 120.7° | 120.0° |
| O3 | C7 | H72 | H73 | 120.6° | 120.0° |
| H71 | C7 | H72 | H73 | 116.4° | 120.0° |
