RST
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.38Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | O5 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | N3 | sing | 1.47Å | 1.48Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| N3 | HN31 | sing | 1.01Å | 1.00Å | |
| N3 | HN32 | sing | 1.01Å | 1.00Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 107.4° | 109.5° |
| O1 | C1 | O5 | 110.3° | 109.5° |
| O1 | C1 | H1 | 110.7° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C2 | C1 | O5 | 109.7° | 109.4° |
| C2 | C1 | H1 | 108.9° | 109.4° |
| C1 | C2 | C3 | 111.6° | 109.2° |
| C1 | C2 | H2 | 108.9° | 109.5° |
| C1 | C2 | H22 | 108.9° | 109.5° |
| O5 | C1 | H1 | 109.8° | 109.5° |
| C1 | O5 | C5 | 117.0° | 114.1° |
| C3 | C2 | H2 | 108.9° | 109.6° |
| C3 | C2 | H22 | 108.9° | 109.5° |
| C2 | C3 | N3 | 110.5° | 109.6° |
| C2 | C3 | C4 | 109.4° | 109.1° |
| C2 | C3 | H3 | 108.6° | 109.6° |
| H2 | C2 | H22 | 109.5° | 109.6° |
| N3 | C3 | C4 | 110.6° | 109.5° |
| N3 | C3 | H3 | 109.2° | 109.5° |
| C3 | N3 | HN31 | 109.5° | 111.0° |
| C3 | N3 | HN32 | 109.5° | 111.0° |
| C4 | C3 | H3 | 108.5° | 109.6° |
| C3 | C4 | O4 | 108.6° | 109.5° |
| C3 | C4 | C5 | 114.5° | 109.2° |
| C3 | C4 | H4 | 106.1° | 109.5° |
| HN31 | N3 | HN32 | 109.4° | 111.0° |
| O4 | C4 | C5 | 113.4° | 109.5° |
| O4 | C4 | H4 | 107.2° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | C4 | H4 | 106.5° | 109.6° |
| C4 | C5 | O5 | 112.9° | 109.4° |
| C4 | C5 | C6 | 110.9° | 109.5° |
| C4 | C5 | H5 | 107.7° | 109.5° |
| O5 | C5 | C6 | 109.3° | 109.5° |
| O5 | C5 | H5 | 108.7° | 109.5° |
| C6 | C5 | H5 | 107.2° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.5° |
| C5 | C6 | H62 | 109.5° | 109.5° |
| C5 | C6 | H63 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| H61 | C6 | H63 | 109.5° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O5 | 119.9° | 120.0° |
| O1 | C1 | C2 | H1 | 119.9° | 120.0° |
| O1 | C1 | O5 | H1 | 122.3° | 120.1° |
| O1 | C1 | C2 | C3 | 63.0° | 177.6° |
| O1 | C1 | C2 | H2 | 176.6° | 62.5° |
| O1 | C1 | C2 | H22 | 57.3° | 57.7° |
| O1 | C1 | O5 | C5 | 62.3° | 178.9° |
| C2 | C1 | O5 | H1 | 119.6° | 120.0° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 120.3° | 119.9° |
| C1 | C2 | C3 | H22 | 120.3° | 119.9° |
| C1 | C2 | H2 | H22 | 119.0° | 120.2° |
| C1 | C2 | C3 | N3 | 68.8° | 176.8° |
| C1 | C2 | C3 | C4 | 53.2° | 57.0° |
| C1 | C2 | C3 | H3 | 171.4° | 63.0° |
| C2 | C1 | O5 | C5 | 55.8° | 61.2° |
| O5 | C1 | O1 | HO1 | 60.6° | 60.1° |
| O5 | C1 | C2 | C3 | 56.9° | 57.6° |
| O5 | C1 | C2 | H2 | 63.5° | 177.5° |
| O5 | C1 | C2 | H22 | 177.2° | 62.3° |
| C1 | O5 | C5 | C4 | 49.9° | 61.2° |
| C1 | O5 | C5 | C6 | 173.9° | 58.8° |
| C1 | O5 | C5 | H5 | 69.4° | 178.8° |
| H1 | C1 | O1 | HO1 | 61.2° | 60.0° |
| H1 | C1 | C2 | C3 | 177.0° | 62.4° |
| H1 | C1 | C2 | H2 | 56.7° | 57.5° |
| H1 | C1 | C2 | H22 | 62.6° | 177.7° |
| H1 | C1 | O5 | C5 | 175.4° | 58.8° |
| C3 | C2 | H2 | H22 | 119.0° | 120.1° |
| C2 | C3 | N3 | C4 | 121.3° | 119.6° |
| C2 | C3 | N3 | H3 | 119.4° | 120.2° |
| C2 | C3 | C4 | H3 | 118.3° | 120.0° |
| C2 | C3 | N3 | HN31 | 180.0° | 60.0° |
| C2 | C3 | N3 | HN32 | 60.0° | 64.0° |
| C2 | C3 | C4 | O4 | 175.2° | 62.9° |
| C2 | C3 | C4 | C5 | 47.3° | 57.0° |
| C2 | C3 | C4 | H4 | 69.9° | 176.9° |
| H2 | C2 | C3 | N3 | 170.9° | 63.3° |
| H2 | C2 | C3 | C4 | 67.1° | 176.9° |
| H2 | C2 | C3 | H3 | 51.1° | 56.9° |
| H22 | C2 | C3 | N3 | 51.5° | 57.0° |
| H22 | C2 | C3 | C4 | 173.5° | 62.9° |
| H22 | C2 | C3 | H3 | 68.2° | 177.1° |
| N3 | C3 | C4 | H3 | 119.7° | 120.2° |
| C3 | N3 | HN31 | HN32 | 120.0° | 124.0° |
| N3 | C3 | C4 | O4 | 53.3° | 57.0° |
| N3 | C3 | C4 | C5 | 74.6° | 176.8° |
| N3 | C3 | C4 | H4 | 168.2° | 63.2° |
| C4 | C3 | N3 | HN31 | 58.8° | 179.6° |
| C4 | C3 | N3 | HN32 | 178.7° | 55.6° |
| C3 | C4 | O4 | C5 | 128.5° | 119.7° |
| C3 | C4 | O4 | H4 | 114.2° | 120.2° |
| C3 | C4 | C5 | H4 | 116.9° | 119.9° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C3 | C4 | C5 | O5 | 45.0° | 57.6° |
| C3 | C4 | C5 | C6 | 168.1° | 62.4° |
| C3 | C4 | C5 | H5 | 75.0° | 177.6° |
| H3 | C3 | N3 | HN31 | 60.5° | 60.2° |
| H3 | C3 | N3 | HN32 | 59.4° | 175.8° |
| H3 | C3 | C4 | O4 | 66.5° | 177.2° |
| H3 | C3 | C4 | C5 | 165.6° | 63.0° |
| H3 | C3 | C4 | H4 | 48.4° | 57.0° |
| O4 | C4 | C5 | H4 | 117.7° | 120.2° |
| O4 | C4 | C5 | O5 | 170.4° | 62.3° |
| O4 | C4 | C5 | C6 | 66.5° | 177.7° |
| O4 | C4 | C5 | H5 | 50.4° | 57.7° |
| C5 | C4 | O4 | HO4 | 51.5° | 60.3° |
| C4 | C5 | O5 | C6 | 124.0° | 119.9° |
| C4 | C5 | O5 | H5 | 119.4° | 120.0° |
| C4 | C5 | C6 | H5 | 117.3° | 120.0° |
| C4 | C5 | C6 | H61 | 180.0° | 60.0° |
| C4 | C5 | C6 | H62 | 60.0° | 180.0° |
| C4 | C5 | C6 | H63 | 60.0° | 60.0° |
| H4 | C4 | O4 | HO4 | 65.8° | 59.8° |
| H4 | C4 | C5 | O5 | 72.0° | 177.5° |
| H4 | C4 | C5 | C6 | 51.1° | 57.6° |
| H4 | C4 | C5 | H5 | 168.1° | 62.5° |
| O5 | C5 | C6 | H5 | 117.6° | 120.1° |
| O5 | C5 | C6 | H61 | 54.9° | 179.9° |
| O5 | C5 | C6 | H62 | 65.1° | 60.1° |
| O5 | C5 | C6 | H63 | 174.9° | 59.9° |
| C5 | C6 | H61 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H63 | 120.0° | 120.0° |
| C5 | C6 | H62 | H63 | 120.0° | 120.0° |
| H5 | C5 | C6 | H61 | 62.7° | 60.0° |
| H5 | C5 | C6 | H62 | 177.3° | 59.9° |
| H5 | C5 | C6 | H63 | 57.3° | NaN° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
