6K3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAR | CAQ | sing | 1.53Å | 1.52Å | |
| CAQ | CAP | sing | 1.53Å | 1.53Å | |
| CAP | CAO | sing | 1.53Å | 1.52Å | |
| CAO | CAN | sing | 1.53Å | 1.54Å | |
| CAN | CAM | sing | 1.53Å | 1.52Å | |
| CAM | CAL | sing | 1.53Å | 1.53Å | |
| CAL | O1 | sing | 1.43Å | 1.44Å | |
| O1 | C1 | sing | 1.43Å | 1.44Å | |
| C1 | O5 | sing | 1.43Å | 1.45Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| F4 | C4 | sing | 1.40Å | 1.35Å | |
| C6 | O6 | sing | 1.43Å | 1.45Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| CAR | H6 | sing | 1.09Å | 1.10Å | |
| CAR | H7 | sing | 1.09Å | 1.10Å | |
| CAR | H8 | sing | 1.09Å | 1.10Å | |
| CAQ | H9 | sing | 1.09Å | 1.10Å | |
| CAQ | H10 | sing | 1.09Å | 1.10Å | |
| CAP | H11 | sing | 1.09Å | 1.10Å | |
| CAP | H12 | sing | 1.09Å | 1.10Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| CAO | H14 | sing | 1.09Å | 1.10Å | |
| CAN | H15 | sing | 1.09Å | 1.10Å | |
| CAN | H16 | sing | 1.09Å | 1.10Å | |
| CAM | H17 | sing | 1.09Å | 1.10Å | |
| CAM | H18 | sing | 1.09Å | 1.10Å | |
| CAL | H19 | sing | 1.09Å | 1.10Å | |
| CAL | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAR | CAQ | CAP | 109.4° | 109.4° |
| CAQ | CAR | H6 | 109.5° | 109.5° |
| CAQ | CAR | H7 | 109.5° | 109.5° |
| CAQ | CAR | H8 | 109.5° | 109.5° |
| CAR | CAQ | H9 | 109.5° | 109.4° |
| CAR | CAQ | H10 | 109.5° | 109.5° |
| CAQ | CAP | CAO | 108.7° | 109.5° |
| CAP | CAQ | H9 | 109.5° | 109.5° |
| CAP | CAQ | H10 | 109.5° | 109.5° |
| CAQ | CAP | H11 | 109.7° | 109.5° |
| CAQ | CAP | H12 | 109.7° | 109.5° |
| CAP | CAO | CAN | 110.2° | 109.5° |
| CAO | CAP | H11 | 109.7° | 109.5° |
| CAO | CAP | H12 | 109.6° | 109.4° |
| CAP | CAO | H13 | 109.3° | 109.5° |
| CAP | CAO | H14 | 109.3° | 109.4° |
| CAO | CAN | CAM | 107.4° | 109.5° |
| CAN | CAO | H13 | 109.3° | 109.5° |
| CAN | CAO | H14 | 109.3° | 109.5° |
| CAO | CAN | H15 | 110.0° | 109.5° |
| CAO | CAN | H16 | 109.9° | 109.5° |
| CAN | CAM | CAL | 112.4° | 109.5° |
| CAM | CAN | H15 | 110.0° | 109.5° |
| CAM | CAN | H16 | 110.0° | 109.4° |
| CAN | CAM | H17 | 108.7° | 109.5° |
| CAN | CAM | H18 | 108.7° | 109.4° |
| CAM | CAL | O1 | 104.9° | 109.5° |
| CAL | CAM | H17 | 108.7° | 109.5° |
| CAL | CAM | H18 | 108.7° | 109.4° |
| CAM | CAL | H19 | 110.6° | 109.5° |
| CAM | CAL | H20 | 110.6° | 109.4° |
| CAL | O1 | C1 | 117.4° | 114.0° |
| O1 | CAL | H19 | 110.6° | 109.5° |
| O1 | CAL | H20 | 110.6° | 109.5° |
| O1 | C1 | O5 | 113.9° | 109.5° |
| O1 | C1 | C2 | 109.5° | 109.5° |
| O1 | C1 | H1 | 108.3° | 109.5° |
| O5 | C1 | C2 | 109.5° | 109.4° |
| C1 | O5 | C5 | 114.9° | 114.1° |
| O5 | C1 | H1 | 108.1° | 109.5° |
| C1 | C2 | C3 | 110.3° | 109.1° |
| C1 | C2 | O2 | 106.1° | 109.5° |
| C2 | C1 | H1 | 107.3° | 109.5° |
| C1 | C2 | H2 | 109.2° | 109.5° |
| O5 | C5 | C6 | 109.1° | 109.5° |
| O5 | C5 | C4 | 110.9° | 109.5° |
| O5 | C5 | H5 | 110.0° | 109.5° |
| C6 | C5 | C4 | 109.4° | 109.5° |
| C5 | C6 | O6 | 109.6° | 109.5° |
| C6 | C5 | H5 | 108.8° | 109.4° |
| C5 | C6 | H61 | 109.4° | 109.4° |
| C5 | C6 | H62 | 109.4° | 109.5° |
| C5 | C4 | C3 | 111.4° | 109.1° |
| C5 | C4 | F4 | 109.8° | 109.6° |
| C5 | C4 | H4 | 109.2° | 109.5° |
| C4 | C5 | H5 | 108.7° | 109.5° |
| C2 | C3 | C4 | 111.1° | 109.0° |
| C2 | C3 | O3 | 111.0° | 109.5° |
| C3 | C2 | O2 | 111.9° | 109.5° |
| C2 | C3 | H3 | 108.4° | 109.5° |
| C3 | C2 | H2 | 108.9° | 109.5° |
| C4 | C3 | O3 | 107.7° | 109.5° |
| C3 | C4 | F4 | 105.4° | 109.6° |
| C3 | C4 | H4 | 109.2° | 109.5° |
| C4 | C3 | H3 | 108.5° | 109.5° |
| O3 | C3 | H3 | 110.1° | 109.7° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O2 | C2 | H2 | 110.4° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| F4 | C4 | H4 | 111.8° | 109.6° |
| O6 | C6 | H61 | 109.4° | 109.5° |
| O6 | C6 | H62 | 109.4° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| H6 | CAR | H7 | 109.4° | 109.5° |
| H6 | CAR | H8 | 109.5° | 109.5° |
| H7 | CAR | H8 | 109.4° | 109.4° |
| H9 | CAQ | H10 | 109.4° | 109.5° |
| H11 | CAP | H12 | 109.5° | 109.5° |
| H13 | CAO | H14 | 109.5° | 109.5° |
| H15 | CAN | H16 | 109.5° | 109.5° |
| H17 | CAM | H18 | 109.5° | 109.5° |
| H19 | CAL | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAR | CAQ | CAP | H9 | 120.0° | 120.0° |
| CAR | CAQ | CAP | H10 | 120.0° | 120.0° |
| CAR | CAQ | CAP | CAO | 168.1° | 180.0° |
| CAQ | CAR | H6 | H7 | 120.0° | 120.0° |
| CAQ | CAR | H6 | H8 | 120.0° | 120.0° |
| CAQ | CAR | H7 | H8 | 120.0° | 119.9° |
| CAR | CAQ | H9 | H10 | 120.1° | 120.0° |
| CAR | CAQ | CAP | H11 | 72.0° | 60.0° |
| CAR | CAQ | CAP | H12 | 48.3° | 60.0° |
| CAQ | CAP | CAO | H11 | 119.9° | 120.0° |
| CAQ | CAP | CAO | H12 | 119.9° | 120.0° |
| CAQ | CAP | CAO | CAN | 173.6° | 180.0° |
| CAP | CAQ | CAR | H6 | 180.0° | 60.0° |
| CAP | CAQ | CAR | H7 | 60.0° | 60.1° |
| CAP | CAQ | CAR | H8 | 60.0° | 180.0° |
| CAP | CAQ | H9 | H10 | 120.0° | 120.0° |
| CAQ | CAP | H11 | H12 | 120.4° | 120.0° |
| CAQ | CAP | CAO | H13 | 53.5° | 60.0° |
| CAQ | CAP | CAO | H14 | 66.3° | 60.0° |
| CAP | CAO | CAN | H13 | 120.1° | 120.0° |
| CAP | CAO | CAN | H14 | 120.1° | 119.9° |
| CAP | CAO | CAN | CAM | 161.1° | 180.0° |
| CAO | CAP | CAQ | H9 | 48.1° | 60.0° |
| CAO | CAP | CAQ | H10 | 71.9° | 60.0° |
| CAO | CAP | H11 | H12 | 120.3° | 120.0° |
| CAP | CAO | H13 | H14 | 119.7° | 120.0° |
| CAP | CAO | CAN | H15 | 41.5° | 60.0° |
| CAP | CAO | CAN | H16 | 79.2° | 60.0° |
| CAO | CAN | CAM | H15 | 119.7° | 120.0° |
| CAO | CAN | CAM | H16 | 119.7° | 120.0° |
| CAO | CAN | CAM | CAL | 179.3° | 180.0° |
| CAN | CAO | CAP | H11 | 66.5° | 60.0° |
| CAN | CAO | CAP | H12 | 53.7° | 60.0° |
| CAN | CAO | H13 | H14 | 119.7° | 120.0° |
| CAO | CAN | H15 | H16 | 120.9° | 120.0° |
| CAO | CAN | CAM | H17 | 60.3° | 60.0° |
| CAO | CAN | CAM | H18 | 58.9° | 60.0° |
| CAN | CAM | CAL | H17 | 120.5° | 120.0° |
| CAN | CAM | CAL | H18 | 120.4° | 119.9° |
| CAN | CAM | CAL | O1 | 173.2° | 180.0° |
| CAM | CAN | CAO | H13 | 78.8° | 60.0° |
| CAM | CAN | CAO | H14 | 41.0° | 60.1° |
| CAM | CAN | H15 | H16 | 120.9° | 120.0° |
| CAN | CAM | H17 | H18 | 118.7° | 120.0° |
| CAN | CAM | CAL | H19 | 67.5° | 59.9° |
| CAN | CAM | CAL | H20 | 53.9° | 60.0° |
| CAM | CAL | O1 | H19 | 119.3° | 120.1° |
| CAM | CAL | O1 | H20 | 119.3° | 120.0° |
| CAM | CAL | O1 | C1 | 158.0° | 180.0° |
| CAL | CAM | CAN | H15 | 59.6° | 60.0° |
| CAL | CAM | CAN | H16 | 61.0° | 60.0° |
| CAL | CAM | H17 | H18 | 118.6° | 120.0° |
| CAM | CAL | H19 | H20 | 122.1° | 119.9° |
| CAL | O1 | C1 | O5 | 52.2° | 70.0° |
| CAL | O1 | C1 | C2 | 175.2° | 170.0° |
| O1 | CAL | CAM | H17 | 52.7° | 60.0° |
| O1 | CAL | CAM | H18 | 66.4° | 60.1° |
| O1 | CAL | H19 | H20 | 122.1° | 120.0° |
| CAL | O1 | C1 | H1 | 68.1° | 50.0° |
| O1 | C1 | O5 | C2 | 123.0° | 120.0° |
| O1 | C1 | O5 | H1 | 120.4° | 120.0° |
| O1 | C1 | C2 | H1 | 117.3° | 120.0° |
| O1 | C1 | O5 | C5 | 62.0° | 58.9° |
| O1 | C1 | C2 | C3 | 68.6° | 62.4° |
| O1 | C1 | C2 | O2 | 170.0° | 177.7° |
| C1 | O1 | CAL | H19 | 82.7° | 60.0° |
| C1 | O1 | CAL | H20 | 38.7° | 60.0° |
| O1 | C1 | C2 | H2 | 51.0° | 57.5° |
| O5 | C1 | C2 | H1 | 117.1° | 120.0° |
| C1 | O5 | C5 | C6 | 178.2° | 178.8° |
| C1 | O5 | C5 | C4 | 57.7° | 61.2° |
| O5 | C1 | C2 | C3 | 56.9° | 57.6° |
| O5 | C1 | C2 | O2 | 64.5° | 62.3° |
| C1 | O5 | C5 | H5 | 62.5° | 58.9° |
| O5 | C1 | C2 | H2 | 176.5° | 177.5° |
| C2 | C1 | O5 | C5 | 60.9° | 61.2° |
| C1 | C2 | C3 | O2 | 117.9° | 119.9° |
| C1 | C2 | C3 | H2 | 119.8° | 119.9° |
| C1 | C2 | C3 | C4 | 53.3° | 57.0° |
| C1 | C2 | C3 | O3 | 173.1° | 176.8° |
| C1 | C2 | O2 | H2 | 118.2° | 120.2° |
| C1 | C2 | C3 | H3 | 65.9° | 62.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.4° |
| O5 | C5 | C6 | C4 | 121.4° | 120.0° |
| O5 | C5 | C6 | H5 | 120.0° | 120.0° |
| O5 | C5 | C4 | H5 | 121.0° | 120.1° |
| O5 | C5 | C4 | C3 | 50.9° | 57.6° |
| O5 | C5 | C4 | F4 | 167.3° | 177.6° |
| O5 | C5 | C6 | O6 | 46.4° | 65.0° |
| O5 | C5 | C4 | H4 | 69.7° | 62.2° |
| O5 | C5 | C6 | H61 | 73.6° | 175.0° |
| O5 | C5 | C6 | H62 | 166.4° | 55.1° |
| C5 | O5 | C1 | H1 | 177.6° | 178.8° |
| C6 | C5 | C4 | H5 | 118.7° | 119.9° |
| C6 | C5 | C4 | C3 | 171.3° | 177.6° |
| C6 | C5 | C4 | F4 | 72.4° | 62.4° |
| C5 | C6 | O6 | H61 | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 120.0° | 120.0° |
| C6 | C5 | C4 | H4 | 50.6° | 57.8° |
| C5 | C6 | H61 | H62 | 119.9° | 119.9° |
| C5 | C6 | O6 | HO6 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 50.0° | 57.0° |
| C5 | C4 | C3 | F4 | 119.0° | 120.0° |
| C5 | C4 | C3 | H4 | 120.7° | 119.8° |
| C5 | C4 | C3 | O3 | 171.8° | 176.8° |
| C5 | C4 | F4 | H4 | 121.4° | 120.2° |
| C4 | C5 | C6 | O6 | 75.0° | 175.0° |
| C4 | C5 | C6 | H61 | 165.0° | 55.0° |
| C4 | C5 | C6 | H62 | 45.0° | 64.9° |
| C5 | C4 | C3 | H3 | 69.0° | 62.9° |
| C2 | C3 | C4 | O3 | 121.8° | 119.8° |
| C2 | C3 | C4 | H3 | 119.1° | 119.8° |
| C2 | C3 | O3 | H3 | 120.0° | 120.2° |
| C3 | C2 | O2 | H2 | 121.4° | 120.2° |
| C2 | C3 | C4 | F4 | 169.1° | 176.9° |
| C2 | C3 | C4 | H4 | 70.7° | 62.9° |
| C3 | C2 | C1 | H1 | 174.0° | 177.6° |
| C2 | C3 | O3 | HO3 | 180.0° | 179.9° |
| C3 | C2 | O2 | HO2 | 59.7° | 180.0° |
| C4 | C3 | O3 | H3 | 118.1° | 120.2° |
| C4 | C3 | C2 | O2 | 64.6° | 62.9° |
| C3 | C4 | F4 | H4 | 118.5° | 120.1° |
| C3 | C4 | C5 | H5 | 70.1° | 62.4° |
| C4 | C3 | O3 | HO3 | 58.1° | 60.5° |
| C4 | C3 | C2 | H2 | 173.1° | 176.9° |
| O3 | C3 | C2 | O2 | 55.3° | 56.9° |
| O3 | C3 | C4 | F4 | 69.1° | 63.2° |
| O3 | C3 | C4 | H4 | 51.1° | 57.0° |
| O3 | C3 | C2 | H2 | 67.0° | 63.3° |
| O2 | C2 | C3 | H3 | 176.3° | 177.3° |
| O2 | C2 | C1 | H1 | 52.7° | 57.7° |
| F4 | C4 | C5 | H5 | 46.3° | 57.5° |
| F4 | C4 | C3 | H3 | 50.0° | 57.1° |
| O6 | C6 | C5 | H5 | 166.4° | 55.0° |
| O6 | C6 | H61 | H62 | 119.9° | 120.0° |
| H4 | C4 | C5 | H5 | 169.2° | 177.7° |
| H4 | C4 | C3 | H3 | 170.3° | 177.3° |
| H5 | C5 | C6 | H61 | 46.4° | 65.0° |
| H5 | C5 | C6 | H62 | 73.6° | 175.1° |
| H61 | C6 | O6 | HO6 | 60.0° | 60.1° |
| H62 | C6 | O6 | HO6 | 60.0° | 59.9° |
| H3 | C3 | O3 | HO3 | 60.0° | 59.7° |
| H3 | C3 | C2 | H2 | 54.0° | 57.0° |
| H6 | CAR | H7 | H8 | 120.0° | 120.0° |
| H6 | CAR | CAQ | H9 | 60.0° | 60.0° |
| H6 | CAR | CAQ | H10 | 60.0° | 180.0° |
| H7 | CAR | CAQ | H9 | 60.0° | 179.9° |
| H7 | CAR | CAQ | H10 | 180.0° | 59.9° |
| H8 | CAR | CAQ | H9 | 180.0° | 60.1° |
| H8 | CAR | CAQ | H10 | 60.0° | 60.0° |
| H9 | CAQ | CAP | H11 | 168.0° | 180.0° |
| H9 | CAQ | CAP | H12 | 71.7° | 60.0° |
| H10 | CAQ | CAP | H11 | 48.0° | 60.0° |
| H10 | CAQ | CAP | H12 | 168.3° | 180.0° |
| H11 | CAP | CAO | H13 | 173.4° | 180.0° |
| H11 | CAP | CAO | H14 | 53.6° | 60.0° |
| H12 | CAP | CAO | H13 | 66.3° | 60.0° |
| H12 | CAP | CAO | H14 | 173.9° | 179.9° |
| H13 | CAO | CAN | H15 | 161.6° | 180.0° |
| H13 | CAO | CAN | H16 | 40.9° | 60.0° |
| H14 | CAO | CAN | H15 | 78.7° | 59.9° |
| H14 | CAO | CAN | H16 | 160.7° | 180.0° |
| H15 | CAN | CAM | H17 | 179.9° | 180.0° |
| H15 | CAN | CAM | H18 | 60.8° | 60.0° |
| H16 | CAN | CAM | H17 | 59.4° | 60.0° |
| H16 | CAN | CAM | H18 | 178.5° | 179.9° |
| H17 | CAM | CAL | H19 | 172.0° | 180.0° |
| H17 | CAM | CAL | H20 | 66.5° | 60.0° |
| H18 | CAM | CAL | H19 | 52.9° | 60.0° |
| H18 | CAM | CAL | H20 | 174.3° | 179.9° |
| H1 | C1 | C2 | H2 | 66.3° | 62.5° |
| H2 | C2 | O2 | HO2 | 61.7° | 59.8° |
