9QG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAQ | CAP | doub | 1.21Å | 1.26Å | |
| OAR | CAP | sing | 1.34Å | 1.26Å | |
| CAP | CAM | sing | 1.51Å | 1.51Å | |
| CAM | CAN | sing | 1.53Å | 1.53Å | |
| CAM | O3 | sing | 1.43Å | 1.45Å | |
| O3 | C3 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| O5 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | CAO | sing | 1.43Å | 1.43Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| OAR | H11 | sing | 0.97Å | 0.95Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| CAN | H14 | sing | 1.09Å | 1.10Å | |
| CAN | H15 | sing | 1.09Å | 1.10Å | |
| CAO | H16 | sing | 1.09Å | 1.10Å | |
| CAO | H17 | sing | 1.09Å | 1.10Å | |
| CAO | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAQ | CAP | OAR | 122.2° | 120.0° |
| OAQ | CAP | CAM | 118.4° | 120.0° |
| OAR | CAP | CAM | 119.3° | 120.0° |
| CAP | OAR | H11 | 109.5° | 116.9° |
| CAP | CAM | CAN | 111.0° | 109.5° |
| CAP | CAM | O3 | 114.3° | 109.5° |
| CAP | CAM | H12 | 105.7° | 109.5° |
| CAN | CAM | O3 | 113.1° | 109.4° |
| CAN | CAM | H12 | 105.5° | 109.5° |
| CAM | CAN | H13 | 109.5° | 109.4° |
| CAM | CAN | H14 | 109.5° | 109.5° |
| CAM | CAN | H15 | 109.5° | 109.5° |
| CAM | O3 | C3 | 121.6° | 114.0° |
| O3 | CAM | H12 | 106.4° | 109.5° |
| O3 | C3 | C4 | 108.6° | 109.6° |
| O3 | C3 | C2 | 110.5° | 109.6° |
| O3 | C3 | H3 | 109.8° | 109.5° |
| C3 | C4 | O4 | 111.7° | 109.5° |
| C3 | C4 | C5 | 113.1° | 109.2° |
| C4 | C3 | C2 | 111.0° | 109.0° |
| C4 | C3 | H3 | 108.4° | 109.5° |
| C3 | C4 | H4 | 107.7° | 109.5° |
| O4 | C4 | C5 | 107.5° | 109.5° |
| O4 | C4 | H4 | 109.0° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C5 | C6 | 110.5° | 109.5° |
| C4 | C5 | O5 | 110.8° | 109.4° |
| C5 | C4 | H4 | 107.8° | 109.6° |
| C4 | C5 | H5 | 108.5° | 109.5° |
| C3 | C2 | O2 | 110.7° | 109.5° |
| C3 | C2 | C1 | 112.1° | 109.2° |
| C3 | C2 | H2 | 107.8° | 109.6° |
| C2 | C3 | H3 | 108.5° | 109.5° |
| O6 | C6 | C5 | 109.7° | 109.5° |
| O6 | C6 | H61 | 109.4° | 109.5° |
| O6 | C6 | H62 | 109.4° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C6 | C5 | O5 | 108.4° | 109.5° |
| C5 | C6 | H61 | 109.4° | 109.5° |
| C5 | C6 | H62 | 109.4° | 109.5° |
| C6 | C5 | H5 | 108.7° | 109.5° |
| C5 | O5 | C1 | 112.8° | 114.1° |
| O5 | C5 | H5 | 109.9° | 109.4° |
| O2 | C2 | C1 | 109.1° | 109.5° |
| O2 | C2 | H2 | 109.1° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 113.9° |
| C2 | C1 | O5 | 110.2° | 109.4° |
| C2 | C1 | O1 | 109.7° | 109.5° |
| C2 | C1 | H1 | 108.5° | 109.5° |
| C1 | C2 | H2 | 107.9° | 109.6° |
| O5 | C1 | O1 | 108.9° | 109.5° |
| O5 | C1 | H1 | 109.8° | 109.5° |
| C1 | O1 | CAO | 113.8° | 114.0° |
| O1 | C1 | H1 | 109.8° | 109.5° |
| O1 | CAO | H16 | 109.5° | 109.4° |
| O1 | CAO | H17 | 109.5° | 109.4° |
| O1 | CAO | H18 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H13 | CAN | H14 | 109.4° | 109.4° |
| H13 | CAN | H15 | 109.5° | 109.5° |
| H14 | CAN | H15 | 109.5° | 109.5° |
| H16 | CAO | H17 | 109.5° | 109.5° |
| H16 | CAO | H18 | 109.4° | 109.5° |
| H17 | CAO | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAQ | CAP | OAR | CAM | 178.9° | 179.9° |
| OAQ | CAP | CAM | CAN | 151.6° | 115.0° |
| OAQ | CAP | CAM | O3 | 79.0° | 4.9° |
| OAQ | CAP | OAR | H11 | 0.0° | 0.1° |
| OAQ | CAP | CAM | H12 | 37.7° | 124.9° |
| OAR | CAP | CAM | CAN | 27.4° | 65.1° |
| OAR | CAP | CAM | O3 | 102.0° | 175.0° |
| OAR | CAP | CAM | H12 | 141.3° | 55.0° |
| CAP | CAM | CAN | O3 | 130.0° | 120.0° |
| CAP | CAM | CAN | H12 | 114.0° | 120.0° |
| CAP | CAM | O3 | H12 | 116.3° | 120.0° |
| CAP | CAM | O3 | C3 | 65.1° | 150.0° |
| CAM | CAP | OAR | H11 | 178.9° | 180.0° |
| CAP | CAM | CAN | H13 | 180.0° | 180.0° |
| CAP | CAM | CAN | H14 | 60.0° | 60.1° |
| CAP | CAM | CAN | H15 | 60.0° | 60.0° |
| CAN | CAM | O3 | H12 | 115.4° | 120.0° |
| CAN | CAM | O3 | C3 | 63.2° | 90.0° |
| CAM | CAN | H13 | H14 | 120.0° | 120.0° |
| CAM | CAN | H13 | H15 | 120.0° | 120.0° |
| CAM | CAN | H14 | H15 | 120.0° | 120.0° |
| CAM | O3 | C3 | C4 | 126.9° | 150.4° |
| CAM | O3 | C3 | C2 | 111.1° | 90.0° |
| CAM | O3 | C3 | H3 | 8.5° | 30.2° |
| O3 | CAM | CAN | H13 | 50.0° | 60.0° |
| O3 | CAM | CAN | H14 | 170.0° | 180.0° |
| O3 | CAM | CAN | H15 | 70.0° | 60.0° |
| O3 | C3 | C4 | C2 | 121.6° | 120.0° |
| O3 | C3 | C4 | H3 | 119.3° | 120.2° |
| O3 | C3 | C4 | O4 | 44.9° | 57.0° |
| O3 | C3 | C4 | C5 | 166.3° | 176.9° |
| O3 | C3 | C2 | H3 | 120.4° | 120.2° |
| O3 | C3 | C2 | O2 | 71.2° | 63.1° |
| O3 | C3 | C2 | C1 | 166.7° | 177.0° |
| O3 | C3 | C2 | H2 | 48.1° | 57.0° |
| O3 | C3 | C4 | H4 | 74.7° | 63.1° |
| C3 | O3 | CAM | H12 | 178.6° | 30.0° |
| C3 | C4 | O4 | C5 | 124.6° | 119.7° |
| C3 | C4 | O4 | H4 | 118.8° | 120.1° |
| C3 | C4 | C5 | H4 | 118.9° | 120.0° |
| C4 | C3 | C2 | H3 | 119.0° | 119.8° |
| C3 | C4 | C5 | C6 | 171.8° | 177.6° |
| C3 | C4 | C5 | O5 | 51.6° | 57.6° |
| C4 | C3 | C2 | O2 | 168.2° | 176.9° |
| C4 | C3 | C2 | C1 | 46.1° | 57.0° |
| C4 | C3 | C2 | H2 | 72.5° | 63.0° |
| C3 | C4 | C5 | H5 | 69.2° | 62.3° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| O4 | C4 | C5 | H4 | 117.3° | 120.1° |
| O4 | C4 | C3 | C2 | 76.8° | 62.9° |
| O4 | C4 | C5 | C6 | 48.0° | 57.6° |
| O4 | C4 | C5 | O5 | 72.2° | 62.4° |
| O4 | C4 | C3 | H3 | 164.2° | 177.2° |
| O4 | C4 | C5 | H5 | 167.0° | 177.7° |
| C5 | C4 | C3 | C2 | 44.7° | 57.0° |
| C4 | C5 | C6 | O6 | 154.9° | 175.0° |
| C4 | C5 | C6 | O5 | 121.6° | 120.0° |
| C4 | C5 | C6 | H5 | 119.0° | 120.1° |
| C4 | C5 | O5 | H5 | 120.0° | 119.9° |
| C4 | C5 | O5 | C1 | 61.4° | 61.1° |
| C4 | C5 | C6 | H61 | 85.1° | 65.0° |
| C4 | C5 | C6 | H62 | 34.9° | 55.0° |
| C5 | C4 | C3 | H3 | 74.4° | 62.9° |
| C5 | C4 | O4 | HO4 | 55.4° | 60.3° |
| C3 | C2 | O2 | C1 | 123.8° | 119.7° |
| C3 | C2 | O2 | H2 | 118.5° | 120.2° |
| C3 | C2 | C1 | H2 | 118.6° | 120.0° |
| C3 | C2 | C1 | O5 | 54.7° | 57.6° |
| C3 | C2 | C1 | O1 | 174.6° | 177.6° |
| C3 | C2 | C1 | H1 | 65.5° | 62.4° |
| C2 | C3 | C4 | H4 | 163.7° | 177.0° |
| C3 | C2 | O2 | HO2 | 180.0° | 179.7° |
| O6 | C6 | C5 | H61 | 120.1° | 120.0° |
| O6 | C6 | C5 | H62 | 120.0° | 120.0° |
| O6 | C6 | C5 | O5 | 83.6° | 65.1° |
| O6 | C6 | H61 | H62 | 119.9° | 120.0° |
| O6 | C6 | C5 | H5 | 35.9° | 54.9° |
| C6 | C5 | O5 | H5 | 118.7° | 120.0° |
| C6 | C5 | O5 | C1 | 177.3° | 178.9° |
| C5 | C6 | H61 | H62 | 119.9° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 69.4° | 62.5° |
| C5 | O5 | C1 | C2 | 63.1° | 61.2° |
| C5 | O5 | C1 | O1 | 176.6° | 178.9° |
| O5 | C5 | C6 | H61 | 36.5° | 55.0° |
| O5 | C5 | C6 | H62 | 156.4° | 175.0° |
| C5 | O5 | C1 | H1 | 56.3° | 58.8° |
| O5 | C5 | C4 | H4 | 170.5° | 177.5° |
| O2 | C2 | C1 | H2 | 118.4° | 120.2° |
| O2 | C2 | C1 | O5 | 177.7° | 177.5° |
| O2 | C2 | C1 | O1 | 62.4° | 62.6° |
| O2 | C2 | C1 | H1 | 57.5° | 57.5° |
| O2 | C2 | C3 | H3 | 49.2° | 57.0° |
| C2 | C1 | O5 | O1 | 120.4° | 120.0° |
| C2 | C1 | O5 | H1 | 119.4° | 120.0° |
| C2 | C1 | O1 | H1 | 119.1° | 120.1° |
| C2 | C1 | O1 | CAO | 151.5° | 175.1° |
| C1 | C2 | C3 | H3 | 72.9° | 62.9° |
| C1 | C2 | O2 | HO2 | 56.2° | 60.0° |
| O5 | C1 | O1 | H1 | 120.2° | 120.0° |
| O5 | C1 | O1 | CAO | 87.8° | 65.0° |
| O5 | C1 | C2 | H2 | 63.8° | 62.4° |
| C1 | O5 | C5 | H5 | 58.6° | 58.8° |
| O1 | C1 | C2 | H2 | 56.1° | 57.6° |
| C1 | O1 | CAO | H16 | 180.0° | 180.0° |
| C1 | O1 | CAO | H17 | 60.0° | 60.0° |
| C1 | O1 | CAO | H18 | 60.0° | 60.0° |
| CAO | O1 | C1 | H1 | 32.4° | 55.0° |
| O1 | CAO | H16 | H17 | 120.0° | 119.9° |
| O1 | CAO | H16 | H18 | 120.0° | 120.0° |
| O1 | CAO | H17 | H18 | 120.0° | 120.0° |
| H61 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H61 | C6 | C5 | H5 | 156.0° | 175.0° |
| H62 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H62 | C6 | C5 | H5 | 84.1° | 65.0° |
| H1 | C1 | C2 | H2 | 176.0° | 177.7° |
| H2 | C2 | C3 | H3 | 168.5° | 177.2° |
| H2 | C2 | O2 | HO2 | 61.5° | 60.1° |
| H3 | C3 | C4 | H4 | 44.6° | 57.1° |
| H4 | C4 | C5 | H5 | 49.7° | 57.6° |
| H4 | C4 | O4 | HO4 | 61.2° | 59.9° |
| H12 | CAM | CAN | H13 | 65.9° | 60.0° |
| H12 | CAM | CAN | H14 | 54.0° | 60.0° |
| H12 | CAM | CAN | H15 | 174.0° | 180.0° |
| H13 | CAN | H14 | H15 | 120.0° | 120.0° |
| H16 | CAO | H17 | H18 | 120.0° | 120.1° |
