RB8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C6 | sing | 1.43Å | 1.42Å | |
| O3 | S1 | doub | 1.42Å | 1.49Å | |
| C1 | S1 | sing | 1.81Å | 1.77Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| O1 | S1 | doub | 1.42Å | 1.42Å | |
| C6 | C2 | sing | 1.55Å | 1.52Å | |
| C6 | C5 | sing | 1.55Å | 1.53Å | |
| S1 | O2 | sing | 1.52Å | 1.45Å | |
| C2 | O4 | sing | 1.44Å | 1.44Å | |
| C5 | O7 | sing | 1.43Å | 1.42Å | |
| C5 | C3 | sing | 1.54Å | 1.54Å | |
| O4 | C3 | sing | 1.44Å | 1.44Å | |
| C3 | O5 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | O6 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| O5 | H4 | sing | 0.97Å | 0.95Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| O6 | H7 | sing | 0.97Å | 0.95Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| O7 | H9 | sing | 0.97Å | 0.95Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| O8 | H11 | sing | 0.97Å | 0.95Å | |
| O2 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C6 | C2 | 107.0° | 111.0° |
| O8 | C6 | C5 | 113.9° | 110.9° |
| O8 | C6 | H10 | 111.8° | 110.8° |
| C6 | O8 | H11 | 109.5° | 114.0° |
| O3 | S1 | C1 | 100.0° | 110.5° |
| O3 | S1 | O1 | 111.1° | 121.0° |
| O3 | S1 | O2 | 111.5° | 104.3° |
| S1 | C1 | C2 | 112.5° | 109.5° |
| C1 | S1 | O1 | 109.3° | 110.5° |
| C1 | S1 | O2 | 107.0° | 104.5° |
| S1 | C1 | H1 | 108.7° | 109.5° |
| S1 | C1 | H2 | 108.7° | 109.5° |
| C1 | C2 | C6 | 114.4° | 110.6° |
| C1 | C2 | O4 | 110.1° | 110.6° |
| C2 | C1 | H1 | 108.7° | 109.4° |
| C2 | C1 | H2 | 108.7° | 109.5° |
| C1 | C2 | H3 | 109.0° | 110.6° |
| O1 | S1 | O2 | 116.5° | 104.3° |
| C2 | C6 | C5 | 103.3° | 102.1° |
| C6 | C2 | O4 | 104.9° | 103.5° |
| C6 | C2 | H3 | 108.6° | 110.7° |
| C2 | C6 | H10 | 110.2° | 110.9° |
| C6 | C5 | O7 | 117.8° | 110.5° |
| C6 | C5 | C3 | 102.0° | 104.2° |
| C6 | C5 | H8 | 107.3° | 110.6° |
| C5 | C6 | H10 | 110.2° | 110.9° |
| S1 | O2 | H12 | 109.5° | 114.0° |
| C2 | O4 | C3 | 111.1° | 107.0° |
| O4 | C2 | H3 | 109.7° | 110.6° |
| O7 | C5 | C3 | 113.1° | 110.5° |
| O7 | C5 | H8 | 108.7° | 110.4° |
| C5 | O7 | H9 | 109.5° | 114.0° |
| C5 | C3 | O4 | 105.8° | 107.3° |
| C5 | C3 | O5 | 106.6° | 109.9° |
| C5 | C3 | C4 | 109.5° | 110.0° |
| C3 | C5 | H8 | 107.2° | 110.5° |
| O4 | C3 | O5 | 112.6° | 109.9° |
| O4 | C3 | C4 | 109.2° | 109.8° |
| O5 | C3 | C4 | 112.9° | 109.9° |
| C3 | O5 | H4 | 109.5° | 114.0° |
| C3 | C4 | O6 | 112.9° | 109.4° |
| C3 | C4 | H5 | 108.6° | 109.5° |
| C3 | C4 | H6 | 108.6° | 109.5° |
| O6 | C4 | H5 | 108.6° | 109.5° |
| O6 | C4 | H6 | 108.6° | 109.4° |
| C4 | O6 | H7 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C6 | C2 | C1 | 88.3° | 86.3° |
| O8 | C6 | C2 | C5 | 120.6° | 118.2° |
| O8 | C6 | C2 | H10 | 121.8° | 123.6° |
| O8 | C6 | C5 | H10 | 126.6° | 123.6° |
| O8 | C6 | C2 | O4 | 150.9° | 155.2° |
| O8 | C6 | C5 | O7 | 84.4° | 102.2° |
| O8 | C6 | C5 | C3 | 151.1° | 139.1° |
| O8 | C6 | C2 | H3 | 33.6° | 36.6° |
| O8 | C6 | C5 | H8 | 38.6° | 20.4° |
| O3 | S1 | C1 | O1 | 116.7° | 136.8° |
| O3 | S1 | C1 | O2 | 116.4° | 111.6° |
| O3 | S1 | C1 | C2 | 168.4° | 68.4° |
| O3 | S1 | O1 | O2 | 129.1° | 116.7° |
| O3 | S1 | C1 | H1 | 71.2° | 171.6° |
| O3 | S1 | C1 | H2 | 47.9° | 51.6° |
| O3 | S1 | O2 | H12 | 0.0° | 63.9° |
| S1 | C1 | C2 | H1 | 120.5° | 120.0° |
| S1 | C1 | C2 | H2 | 120.4° | 120.0° |
| C1 | S1 | O1 | O2 | 121.4° | 111.8° |
| S1 | C1 | C2 | C6 | 178.6° | 179.4° |
| S1 | C1 | C2 | O4 | 63.5° | 66.4° |
| S1 | C1 | H1 | H2 | 118.6° | 120.0° |
| S1 | C1 | C2 | H3 | 56.8° | 56.4° |
| C1 | S1 | O2 | H12 | 108.4° | 180.0° |
| C2 | C1 | S1 | O1 | 51.7° | 68.4° |
| C1 | C2 | C6 | O4 | 120.8° | 118.5° |
| C1 | C2 | C6 | H3 | 122.0° | 122.9° |
| C1 | C2 | C6 | C5 | 151.1° | 155.5° |
| C2 | C1 | S1 | O2 | 75.3° | 180.0° |
| C1 | C2 | O4 | H3 | 119.9° | 122.8° |
| C1 | C2 | O4 | C3 | 136.4° | 158.5° |
| C2 | C1 | H1 | H2 | 118.6° | 120.0° |
| C1 | C2 | C6 | H10 | 33.4° | 37.4° |
| O1 | S1 | C1 | H1 | 172.1° | 51.6° |
| O1 | S1 | C1 | H2 | 68.7° | 171.6° |
| O1 | S1 | O2 | H12 | 128.9° | 63.9° |
| C2 | C6 | C5 | H10 | 117.7° | 118.2° |
| C6 | C2 | O4 | H3 | 116.5° | 118.6° |
| C2 | C6 | C5 | O7 | 159.9° | 139.5° |
| C2 | C6 | C5 | C3 | 35.4° | 20.9° |
| C6 | C2 | O4 | C3 | 12.8° | 40.0° |
| C6 | C2 | C1 | H1 | 60.9° | 60.5° |
| C6 | C2 | C1 | H2 | 58.2° | 59.4° |
| C2 | C6 | C5 | H8 | 77.2° | 97.9° |
| C2 | C6 | O8 | H11 | 180.0° | 180.0° |
| C5 | C6 | C2 | O4 | 30.3° | 37.0° |
| C6 | C5 | O7 | C3 | 118.8° | 114.8° |
| C6 | C5 | O7 | H8 | 122.3° | 122.7° |
| C6 | C5 | C3 | H8 | 112.6° | 118.8° |
| C6 | C5 | C3 | O4 | 28.3° | 2.0° |
| C6 | C5 | C3 | O5 | 91.7° | 121.5° |
| C6 | C5 | C3 | C4 | 145.9° | 117.4° |
| C5 | C6 | C2 | H3 | 87.0° | 81.6° |
| C6 | C5 | O7 | H9 | 180.0° | 65.3° |
| C5 | C6 | O8 | H11 | 66.5° | 67.3° |
| O2 | S1 | C1 | H1 | 45.2° | 60.0° |
| O2 | S1 | C1 | H2 | 164.3° | 60.0° |
| C2 | O4 | C3 | C5 | 10.0° | 26.5° |
| C2 | O4 | C3 | O5 | 106.1° | 146.0° |
| C2 | O4 | C3 | C4 | 127.7° | 93.1° |
| O4 | C2 | C1 | H1 | 57.0° | 53.6° |
| O4 | C2 | C1 | H2 | 176.1° | 173.5° |
| O4 | C2 | C6 | H10 | 87.4° | 81.2° |
| O7 | C5 | C3 | H8 | 119.8° | 122.5° |
| O7 | C5 | C3 | O4 | 155.9° | 116.7° |
| O7 | C5 | C3 | O5 | 35.9° | 2.8° |
| O7 | C5 | C3 | C4 | 86.6° | 123.9° |
| O7 | C5 | C6 | H10 | 42.2° | 21.4° |
| C5 | C3 | O4 | O5 | 116.0° | 119.5° |
| C5 | C3 | O4 | C4 | 117.8° | 119.5° |
| C5 | C3 | O5 | C4 | 120.3° | 121.1° |
| C5 | C3 | C4 | O6 | 175.3° | 179.3° |
| C5 | C3 | O5 | H4 | 180.0° | 179.2° |
| C5 | C3 | C4 | H5 | 54.8° | 60.7° |
| C5 | C3 | C4 | H6 | 64.2° | 59.4° |
| C3 | C5 | O7 | H9 | 61.3° | 180.0° |
| C3 | C5 | C6 | H10 | 82.3° | 97.3° |
| O4 | C3 | O5 | C4 | 124.2° | 121.0° |
| O4 | C3 | C4 | O6 | 69.3° | 61.5° |
| C3 | O4 | C2 | H3 | 103.7° | 78.6° |
| O4 | C3 | O5 | H4 | 64.4° | 61.3° |
| O4 | C3 | C4 | H5 | 170.2° | 178.6° |
| O4 | C3 | C4 | H6 | 51.2° | 58.5° |
| O4 | C3 | C5 | H8 | 84.3° | 120.8° |
| O5 | C3 | C4 | O6 | 56.7° | 59.5° |
| O5 | C3 | C4 | H5 | 63.8° | 60.4° |
| O5 | C3 | C4 | H6 | 177.2° | 179.5° |
| O5 | C3 | C5 | H8 | 155.6° | 119.7° |
| C3 | C4 | O6 | H5 | 120.5° | 120.0° |
| C3 | C4 | O6 | H6 | 120.5° | 120.0° |
| C4 | C3 | O5 | H4 | 59.8° | 59.6° |
| C3 | C4 | H5 | H6 | 118.4° | 120.1° |
| C3 | C4 | O6 | H7 | 180.0° | 180.0° |
| C4 | C3 | C5 | H8 | 33.2° | 1.4° |
| O6 | C4 | H5 | H6 | 118.4° | 120.0° |
| H1 | C1 | C2 | H3 | 177.3° | 176.5° |
| H2 | C1 | C2 | H3 | 63.6° | 63.6° |
| H3 | C2 | C6 | H10 | 155.4° | 160.3° |
| H5 | C4 | O6 | H7 | 59.5° | 60.0° |
| H6 | C4 | O6 | H7 | 59.5° | 60.0° |
| H8 | C5 | O7 | H9 | 57.7° | 57.4° |
| H8 | C5 | C6 | H10 | 165.1° | 144.0° |
| H10 | C6 | O8 | H11 | 59.2° | 56.4° |
