QC9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C5 | sing | 1.43Å | 1.40Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C1 | sing | 1.53Å | 1.56Å | |
| O1 | C1 | sing | 1.43Å | 1.34Å | |
| C1 | C2 | sing | 1.53Å | 1.64Å | |
| C2 | O6 | sing | 1.43Å | 1.29Å | |
| C2 | C3 | sing | 1.53Å | 1.60Å | |
| O7 | C3 | sing | 1.43Å | 1.37Å | |
| C3 | C12 | sing | 1.53Å | 1.62Å | |
| C12 | S13 | sing | 1.81Å | 1.84Å | |
| O14 | S13 | doub | 1.42Å | 1.47Å | |
| S13 | O15 | doub | 1.42Å | 1.36Å | |
| S13 | O2 | sing | 1.52Å | 1.34Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å | |
| O6 | H9 | sing | 0.97Å | 0.95Å | |
| O7 | H8 | sing | 0.97Å | 0.95Å | |
| O8 | H10 | sing | 0.97Å | 0.95Å | |
| O2 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C5 | C4 | 116.1° | 109.4° |
| O8 | C5 | H11 | 107.8° | 109.5° |
| O8 | C5 | H12 | 107.8° | 109.5° |
| C5 | O8 | H10 | 109.5° | 114.0° |
| C5 | C4 | C1 | 128.0° | 109.4° |
| C5 | C4 | H3 | 104.6° | 109.5° |
| C5 | C4 | H4 | 104.7° | 109.5° |
| C4 | C5 | H11 | 107.8° | 109.4° |
| C4 | C5 | H12 | 107.8° | 109.5° |
| C4 | C1 | O1 | 108.0° | 109.5° |
| C4 | C1 | C2 | 118.3° | 109.5° |
| C4 | C1 | H1 | 101.9° | 109.5° |
| C1 | C4 | H3 | 104.7° | 109.4° |
| C1 | C4 | H4 | 104.7° | 109.5° |
| O1 | C1 | C2 | 120.2° | 109.4° |
| O1 | C1 | H1 | 104.0° | 109.5° |
| C1 | O1 | H2 | 109.5° | 114.0° |
| C1 | C2 | O6 | 103.1° | 109.4° |
| C1 | C2 | C3 | 138.0° | 109.5° |
| C2 | C1 | H1 | 101.4° | 109.5° |
| C1 | C2 | H23 | 103.6° | 109.5° |
| O6 | C2 | C3 | 98.3° | 109.5° |
| O6 | C2 | H23 | 107.3° | 109.5° |
| C2 | O6 | H9 | 109.5° | 114.0° |
| C2 | C3 | O7 | 99.1° | 109.5° |
| C2 | C3 | C12 | 138.2° | 109.5° |
| C3 | C2 | H23 | 103.9° | 109.5° |
| C2 | C3 | H24 | 104.4° | 109.4° |
| O7 | C3 | C12 | 100.9° | 109.5° |
| O7 | C3 | H24 | 107.0° | 109.5° |
| C3 | O7 | H8 | 109.5° | 114.0° |
| C3 | C12 | S13 | 139.1° | 109.5° |
| C3 | C12 | H20 | 101.7° | 109.5° |
| C3 | C12 | H19 | 101.6° | 109.4° |
| C12 | C3 | H24 | 104.2° | 109.5° |
| C12 | S13 | O14 | 104.7° | 110.6° |
| C12 | S13 | O15 | 103.5° | 110.5° |
| C12 | S13 | O2 | 116.4° | 104.4° |
| S13 | C12 | H20 | 101.6° | 109.5° |
| S13 | C12 | H19 | 101.7° | 109.5° |
| O14 | S13 | O15 | 116.2° | 121.0° |
| O14 | S13 | O2 | 106.6° | 104.2° |
| O15 | S13 | O2 | 109.7° | 104.3° |
| S13 | O2 | H5 | 109.5° | 114.0° |
| H20 | C12 | H19 | 109.5° | 109.5° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H11 | C5 | H12 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C5 | C4 | H11 | 121.0° | 120.0° |
| O8 | C5 | C4 | H12 | 121.0° | 120.0° |
| O8 | C5 | C4 | C1 | 136.9° | 180.0° |
| O8 | C5 | C4 | H3 | 14.5° | 60.1° |
| O8 | C5 | C4 | H4 | 100.6° | 60.0° |
| O8 | C5 | H11 | H12 | 117.0° | 120.1° |
| C5 | C4 | C1 | H3 | 122.4° | 119.9° |
| C5 | C4 | C1 | H4 | 122.4° | 120.0° |
| C5 | C4 | C1 | O1 | 114.1° | 65.0° |
| C5 | C4 | C1 | C2 | 26.7° | 175.0° |
| C5 | C4 | C1 | H1 | 136.7° | 55.0° |
| C5 | C4 | H3 | H4 | 111.7° | 120.0° |
| C4 | C5 | H11 | H12 | 117.0° | 120.0° |
| C4 | C5 | O8 | H10 | 180.0° | 180.0° |
| C4 | C1 | O1 | C2 | 139.9° | 120.0° |
| C4 | C1 | O1 | H1 | 107.8° | 120.0° |
| C4 | C1 | C2 | H1 | 110.3° | 120.0° |
| C4 | C1 | C2 | O6 | 111.4° | 60.0° |
| C4 | C1 | C2 | C3 | 129.9° | 180.0° |
| C4 | C1 | C2 | H23 | 0.4° | 60.0° |
| C1 | C4 | H3 | H4 | 111.7° | 120.0° |
| C1 | C4 | C5 | H11 | 102.1° | 60.0° |
| C1 | C4 | C5 | H12 | 15.9° | 60.0° |
| C4 | C1 | O1 | H2 | 180.0° | 60.0° |
| O1 | C1 | C2 | H1 | 113.7° | 119.9° |
| O1 | C1 | C2 | O6 | 112.7° | 180.0° |
| O1 | C1 | C2 | C3 | 6.0° | 60.0° |
| O1 | C1 | C2 | H23 | 135.6° | 60.1° |
| O1 | C1 | C4 | H3 | 8.3° | 55.0° |
| O1 | C1 | C4 | H4 | 123.5° | 175.0° |
| C1 | C2 | O6 | C3 | 143.6° | 120.0° |
| C1 | C2 | O6 | H23 | 109.0° | 119.9° |
| C1 | C2 | C3 | H23 | 129.4° | 120.0° |
| C1 | C2 | C3 | O7 | 55.0° | 55.0° |
| C1 | C2 | C3 | C12 | 62.9° | 175.0° |
| C1 | C2 | C3 | H24 | 165.2° | 65.0° |
| C2 | C1 | C4 | H3 | 149.1° | 65.0° |
| C2 | C1 | C4 | H4 | 95.8° | 55.0° |
| C2 | C1 | O1 | H2 | 40.1° | 60.0° |
| C1 | C2 | O6 | H9 | 180.0° | 60.0° |
| O6 | C2 | C3 | H23 | 110.3° | 120.0° |
| O6 | C2 | C3 | O7 | 175.3° | 65.0° |
| O6 | C2 | C3 | C12 | 57.4° | 55.0° |
| O6 | C2 | C1 | H1 | 1.0° | 60.1° |
| O6 | C2 | C3 | H24 | 74.5° | 175.0° |
| C2 | C3 | O7 | C12 | 143.1° | 120.0° |
| C2 | C3 | O7 | H24 | 108.2° | 120.0° |
| C2 | C3 | C12 | H24 | 132.0° | 120.0° |
| C2 | C3 | C12 | S13 | 85.0° | 180.0° |
| C3 | C2 | C1 | H1 | 119.7° | 59.9° |
| C2 | C3 | C12 | H20 | 151.4° | 60.0° |
| C2 | C3 | C12 | H19 | 38.5° | 60.0° |
| C3 | C2 | O6 | H9 | 36.4° | 60.0° |
| C2 | C3 | O7 | H8 | 180.0° | 60.0° |
| O7 | C3 | C12 | H24 | 110.8° | 120.0° |
| O7 | C3 | C12 | S13 | 157.7° | 60.0° |
| O7 | C3 | C12 | H20 | 34.2° | 60.0° |
| O7 | C3 | C12 | H19 | 78.7° | 180.0° |
| O7 | C3 | C2 | H23 | 74.5° | 175.0° |
| C3 | C12 | S13 | H20 | 123.5° | 120.0° |
| C3 | C12 | S13 | H19 | 123.5° | 119.9° |
| C3 | C12 | S13 | O14 | 71.2° | 68.4° |
| C3 | C12 | S13 | O15 | 166.6° | 68.4° |
| C3 | C12 | S13 | O2 | 46.1° | 180.0° |
| C3 | C12 | H20 | H19 | 106.9° | 119.9° |
| C12 | C3 | C2 | H23 | 167.7° | 65.0° |
| C12 | C3 | O7 | H8 | 36.9° | 60.0° |
| C12 | S13 | O14 | O15 | 113.5° | 131.5° |
| C12 | S13 | O14 | O2 | 123.9° | 111.7° |
| C12 | S13 | O15 | O2 | 124.9° | 111.7° |
| S13 | C12 | H20 | H19 | 107.0° | 120.0° |
| S13 | C12 | C3 | H24 | 46.9° | 60.0° |
| C12 | S13 | O2 | H5 | 117.1° | 180.0° |
| O14 | S13 | O15 | O2 | 120.9° | 116.7° |
| O14 | S13 | C12 | H20 | 165.3° | 171.6° |
| O14 | S13 | C12 | H19 | 52.3° | 51.5° |
| O14 | S13 | O2 | H5 | 126.6° | 64.0° |
| O15 | S13 | C12 | H20 | 43.0° | 51.6° |
| O15 | S13 | C12 | H19 | 69.9° | 171.7° |
| O15 | S13 | O2 | H5 | 0.0° | 63.9° |
| O2 | S13 | C12 | H20 | 77.4° | 60.0° |
| O2 | S13 | C12 | H19 | 169.7° | 60.0° |
| H1 | C1 | C2 | H23 | 110.7° | 180.0° |
| H1 | C1 | C4 | H3 | 100.9° | 175.0° |
| H1 | C1 | C4 | H4 | 14.3° | 65.0° |
| H1 | C1 | O1 | H2 | 72.2° | 180.0° |
| H20 | C12 | C3 | H24 | 76.6° | 180.0° |
| H19 | C12 | C3 | H24 | 170.5° | 60.0° |
| H23 | C2 | C3 | H24 | 35.8° | 55.0° |
| H23 | C2 | O6 | H9 | 71.0° | 180.0° |
| H24 | C3 | O7 | H8 | 71.8° | 180.0° |
| H3 | C4 | C5 | H11 | 135.5° | 180.0° |
| H3 | C4 | C5 | H12 | 106.5° | 59.9° |
| H4 | C4 | C5 | H11 | 20.4° | 60.0° |
| H4 | C4 | C5 | H12 | 138.4° | 180.0° |
| H11 | C5 | O8 | H10 | 59.0° | 60.1° |
| H12 | C5 | O8 | H10 | 59.0° | 60.0° |
