R7R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C6 | sing | 1.43Å | 1.43Å | |
| O7 | C5 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.55Å | |
| C6 | C1 | sing | 1.53Å | 1.52Å | |
| C5 | O6 | sing | 1.43Å | 1.45Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| O6 | C3 | sing | 1.43Å | 1.44Å | |
| O2 | C2 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| O3 | S1 | doub | 1.42Å | 1.48Å | |
| O4 | S1 | doub | 1.42Å | 1.47Å | |
| C4 | S1 | sing | 1.81Å | 1.79Å | |
| S1 | O5 | sing | 1.52Å | 1.47Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| O2 | H9 | sing | 0.97Å | 0.95Å | |
| O7 | H10 | sing | 0.97Å | 0.95Å | |
| O8 | H11 | sing | 0.97Å | 0.95Å | |
| O5 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C6 | C5 | 110.7° | 109.6° |
| O8 | C6 | C1 | 108.8° | 109.5° |
| O8 | C6 | H6 | 110.0° | 109.6° |
| C6 | O8 | H11 | 109.5° | 114.0° |
| O7 | C5 | C6 | 113.9° | 109.5° |
| O7 | C5 | O6 | 108.4° | 109.5° |
| O7 | C5 | H5 | 107.8° | 109.5° |
| C5 | O7 | H10 | 109.5° | 114.0° |
| C5 | C6 | C1 | 110.2° | 109.2° |
| C6 | C5 | O6 | 112.6° | 109.4° |
| C6 | C5 | H5 | 106.3° | 109.5° |
| C5 | C6 | H6 | 108.4° | 109.5° |
| C6 | C1 | O1 | 110.9° | 109.6° |
| C6 | C1 | C2 | 115.8° | 109.0° |
| C6 | C1 | H1 | 107.2° | 109.5° |
| C1 | C6 | H6 | 108.8° | 109.5° |
| C5 | O6 | C3 | 115.3° | 114.1° |
| O6 | C5 | H5 | 107.5° | 109.5° |
| O1 | C1 | C2 | 107.1° | 109.6° |
| O1 | C1 | H1 | 108.4° | 109.6° |
| C1 | O1 | H7 | 109.5° | 114.0° |
| C1 | C2 | O2 | 106.3° | 109.5° |
| C1 | C2 | C3 | 111.2° | 109.2° |
| C2 | C1 | H1 | 107.3° | 109.5° |
| C1 | C2 | H8 | 109.2° | 109.5° |
| O6 | C3 | C2 | 112.3° | 109.4° |
| O6 | C3 | C4 | 106.6° | 109.5° |
| O6 | C3 | H2 | 109.2° | 109.5° |
| O2 | C2 | C3 | 110.9° | 109.5° |
| O2 | C2 | H8 | 110.3° | 109.6° |
| C2 | O2 | H9 | 109.5° | 114.0° |
| C2 | C3 | C4 | 112.5° | 109.5° |
| C2 | C3 | H2 | 108.0° | 109.5° |
| C3 | C2 | H8 | 109.0° | 109.5° |
| C3 | C4 | S1 | 116.1° | 109.5° |
| C4 | C3 | H2 | 108.1° | 109.5° |
| C3 | C4 | H3 | 107.8° | 109.5° |
| C3 | C4 | H4 | 107.8° | 109.5° |
| O3 | S1 | O4 | 106.1° | 121.0° |
| O3 | S1 | C4 | 108.6° | 110.6° |
| O3 | S1 | O5 | 115.8° | 104.2° |
| O4 | S1 | C4 | 108.0° | 110.6° |
| O4 | S1 | O5 | 113.5° | 104.2° |
| C4 | S1 | O5 | 104.5° | 104.5° |
| S1 | C4 | H3 | 107.8° | 109.5° |
| S1 | C4 | H4 | 107.8° | 109.4° |
| S1 | O5 | H12 | 109.5° | 114.1° |
| H3 | C4 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C6 | C5 | O7 | 45.0° | 57.5° |
| O8 | C6 | C5 | C1 | 120.4° | 119.9° |
| O8 | C6 | C5 | H6 | 120.7° | 120.2° |
| O8 | C6 | C1 | H6 | 119.8° | 120.1° |
| O8 | C6 | C5 | O6 | 169.0° | 177.5° |
| O8 | C6 | C1 | O1 | 70.2° | 63.2° |
| O8 | C6 | C1 | C2 | 167.6° | 176.9° |
| O8 | C6 | C1 | H1 | 47.9° | 57.0° |
| O8 | C6 | C5 | H5 | 73.5° | 62.5° |
| O7 | C5 | C6 | O6 | 123.9° | 120.0° |
| O7 | C5 | C6 | H5 | 118.6° | 120.0° |
| O7 | C5 | C6 | C1 | 75.4° | 62.4° |
| O7 | C5 | O6 | H5 | 116.3° | 120.0° |
| O7 | C5 | O6 | C3 | 71.2° | 58.8° |
| O7 | C5 | C6 | H6 | 165.7° | 177.7° |
| C5 | C6 | C1 | H6 | 118.7° | 119.9° |
| C6 | C5 | O6 | H5 | 116.8° | 120.0° |
| C5 | C6 | C1 | O1 | 168.3° | 176.9° |
| C5 | C6 | C1 | C2 | 46.1° | 56.9° |
| C6 | C5 | O6 | C3 | 55.7° | 61.1° |
| C5 | C6 | C1 | H1 | 73.6° | 62.9° |
| C6 | C5 | O7 | H10 | 180.0° | 180.0° |
| C5 | C6 | O8 | H11 | 180.0° | 60.0° |
| C1 | C6 | C5 | O6 | 48.6° | 57.6° |
| C6 | C1 | O1 | C2 | 127.2° | 119.6° |
| C6 | C1 | O1 | H1 | 117.4° | 120.2° |
| C6 | C1 | C2 | H1 | 119.6° | 119.8° |
| C6 | C1 | C2 | O2 | 167.5° | 176.9° |
| C6 | C1 | C2 | C3 | 46.7° | 56.9° |
| C1 | C6 | C5 | H5 | 166.1° | 177.6° |
| C6 | C1 | O1 | H7 | 180.0° | 60.4° |
| C6 | C1 | C2 | H8 | 73.6° | 63.0° |
| C1 | C6 | O8 | H11 | 58.8° | 179.7° |
| C5 | O6 | C3 | C2 | 55.7° | 61.2° |
| C5 | O6 | C3 | C4 | 179.3° | 178.9° |
| C5 | O6 | C3 | H2 | 64.1° | 58.8° |
| O6 | C5 | C6 | H6 | 70.3° | 62.3° |
| O6 | C5 | O7 | H10 | 53.9° | 60.0° |
| O1 | C1 | C2 | H1 | 116.2° | 120.2° |
| O1 | C1 | C2 | O2 | 68.4° | 63.2° |
| O1 | C1 | C2 | C3 | 170.9° | 176.9° |
| O1 | C1 | C6 | H6 | 49.6° | 57.0° |
| O1 | C1 | C2 | H8 | 50.6° | 56.9° |
| C1 | C2 | C3 | O6 | 49.3° | 57.6° |
| C1 | C2 | O2 | C3 | 120.9° | 119.7° |
| C1 | C2 | O2 | H8 | 118.3° | 120.1° |
| C1 | C2 | C3 | H8 | 120.4° | 119.9° |
| C1 | C2 | C3 | C4 | 169.5° | 177.6° |
| C1 | C2 | C3 | H2 | 71.2° | 62.4° |
| C2 | C1 | C6 | H6 | 72.6° | 63.0° |
| C2 | C1 | O1 | H7 | 52.9° | 180.0° |
| C1 | C2 | O2 | H9 | 180.0° | 60.0° |
| O6 | C3 | C2 | O2 | 167.3° | 177.5° |
| O6 | C3 | C2 | C4 | 120.2° | 120.0° |
| O6 | C3 | C2 | H2 | 120.5° | 120.0° |
| O6 | C3 | C4 | H2 | 117.3° | 120.0° |
| O6 | C3 | C4 | S1 | 67.3° | 65.0° |
| O6 | C3 | C4 | H3 | 171.7° | 174.9° |
| O6 | C3 | C4 | H4 | 53.6° | 54.9° |
| C3 | O6 | C5 | H5 | 172.5° | 178.9° |
| O6 | C3 | C2 | H8 | 71.2° | 62.3° |
| O2 | C2 | C3 | H8 | 121.6° | 120.2° |
| O2 | C2 | C3 | C4 | 72.5° | 62.5° |
| O2 | C2 | C1 | H1 | 47.8° | 57.0° |
| O2 | C2 | C3 | H2 | 46.8° | 57.5° |
| C2 | C3 | C4 | H2 | 119.2° | 120.0° |
| C2 | C3 | C4 | S1 | 169.2° | 175.1° |
| C3 | C2 | C1 | H1 | 72.9° | 62.9° |
| C2 | C3 | C4 | H3 | 48.3° | 55.0° |
| C2 | C3 | C4 | H4 | 69.8° | 65.0° |
| C3 | C2 | O2 | H9 | 59.1° | 179.7° |
| C3 | C4 | S1 | O3 | 47.0° | 68.4° |
| C3 | C4 | S1 | O4 | 67.6° | 68.4° |
| C3 | C4 | S1 | H3 | 120.9° | 120.0° |
| C3 | C4 | S1 | H4 | 120.9° | 120.0° |
| C3 | C4 | S1 | O5 | 171.2° | 180.0° |
| C3 | C4 | H3 | H4 | 117.0° | 120.0° |
| C4 | C3 | C2 | H8 | 49.1° | 57.7° |
| O3 | S1 | O4 | C4 | 116.3° | 131.6° |
| O3 | S1 | O4 | O5 | 128.2° | 116.7° |
| O3 | S1 | C4 | O5 | 124.2° | 111.6° |
| O3 | S1 | C4 | H3 | 73.9° | 171.6° |
| O3 | S1 | C4 | H4 | 168.0° | 51.6° |
| O3 | S1 | O5 | H12 | 123.1° | 63.9° |
| O4 | S1 | C4 | O5 | 121.2° | 111.6° |
| O4 | S1 | C4 | H3 | 171.4° | 51.6° |
| O4 | S1 | C4 | H4 | 53.3° | 171.6° |
| O4 | S1 | O5 | H12 | 0.0° | 63.9° |
| S1 | C4 | C3 | H2 | 50.0° | 55.0° |
| S1 | C4 | H3 | H4 | 117.0° | 120.0° |
| C4 | S1 | O5 | H12 | 117.5° | 180.0° |
| O5 | S1 | C4 | H3 | 50.2° | 60.0° |
| O5 | S1 | C4 | H4 | 67.9° | 60.0° |
| H1 | C1 | C6 | H6 | 167.7° | 177.2° |
| H1 | C1 | O1 | H7 | 62.6° | 59.8° |
| H1 | C1 | C2 | H8 | 166.8° | 177.2° |
| H2 | C3 | C4 | H3 | 71.0° | 65.0° |
| H2 | C3 | C4 | H4 | 170.9° | 175.0° |
| H2 | C3 | C2 | H8 | 168.3° | 177.7° |
| H5 | C5 | C6 | H6 | 47.2° | 57.7° |
| H5 | C5 | O7 | H10 | 62.3° | 60.0° |
| H6 | C6 | O8 | H11 | 60.2° | 60.2° |
| H8 | C2 | O2 | H9 | 61.7° | 60.1° |
