6LS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAR | CAQ | sing | 1.53Å | 1.48Å | |
| CAQ | CAP | sing | 1.53Å | 1.51Å | |
| CAP | CAO | sing | 1.53Å | 1.51Å | |
| CAO | CAN | sing | 1.53Å | 1.52Å | |
| CAN | CAM | sing | 1.53Å | 1.51Å | |
| CAM | CAL | sing | 1.53Å | 1.50Å | |
| CAL | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C1 | sing | 1.43Å | 1.39Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HAS | sing | 1.09Å | 1.10Å | |
| CAR | HAT | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAU | sing | 1.09Å | 1.10Å | |
| CAP | HAV | sing | 1.09Å | 1.10Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAW | sing | 1.09Å | 1.10Å | |
| CAN | HAX | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAY | sing | 1.09Å | 1.10Å | |
| CAL | HAZ | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAR | CAQ | CAP | 111.1° | 109.5° |
| CAQ | CAR | HAR | 109.5° | 109.4° |
| CAQ | CAR | HAS | 109.4° | 109.4° |
| CAQ | CAR | HAT | 109.5° | 109.5° |
| CAR | CAQ | HAQ | 109.1° | 109.4° |
| CAR | CAQ | HAU | 109.0° | 109.4° |
| CAQ | CAP | CAO | 114.2° | 109.5° |
| CAP | CAQ | HAQ | 109.0° | 109.5° |
| CAP | CAQ | HAU | 109.1° | 109.5° |
| CAQ | CAP | HAV | 108.3° | 109.4° |
| CAQ | CAP | HAP | 108.3° | 109.5° |
| CAP | CAO | CAN | 112.7° | 109.5° |
| CAO | CAP | HAV | 108.3° | 109.5° |
| CAO | CAP | HAP | 108.3° | 109.5° |
| CAP | CAO | HAO | 108.7° | 109.5° |
| CAP | CAO | HAW | 108.6° | 109.5° |
| CAO | CAN | CAM | 113.1° | 109.5° |
| CAN | CAO | HAO | 108.7° | 109.5° |
| CAN | CAO | HAW | 108.7° | 109.5° |
| CAO | CAN | HAX | 108.6° | 109.5° |
| CAO | CAN | HAN | 108.5° | 109.5° |
| CAN | CAM | CAL | 113.8° | 109.5° |
| CAM | CAN | HAX | 108.5° | 109.4° |
| CAM | CAN | HAN | 108.6° | 109.4° |
| CAN | CAM | HAM | 108.4° | 109.4° |
| CAN | CAM | HAY | 108.4° | 109.4° |
| CAM | CAL | O1 | 106.1° | 109.5° |
| CAL | CAM | HAM | 108.4° | 109.5° |
| CAL | CAM | HAY | 108.4° | 109.5° |
| CAM | CAL | HAZ | 110.3° | 109.5° |
| CAM | CAL | HAL | 110.3° | 109.5° |
| CAL | O1 | C1 | 118.8° | 114.0° |
| O1 | CAL | HAZ | 110.3° | 109.5° |
| O1 | CAL | HAL | 110.3° | 109.5° |
| O1 | C1 | O5 | 109.3° | 109.5° |
| O1 | C1 | C2 | 108.8° | 109.5° |
| O1 | C1 | H1 | 109.9° | 109.5° |
| O5 | C1 | C2 | 111.2° | 109.4° |
| C1 | O5 | C5 | 113.0° | 114.1° |
| O5 | C1 | H1 | 109.4° | 109.5° |
| C1 | C2 | C3 | 110.9° | 109.3° |
| C2 | C1 | H1 | 108.3° | 109.5° |
| C1 | C2 | H2 | 109.1° | 109.5° |
| C1 | C2 | H21 | 109.1° | 109.5° |
| O5 | C5 | C6 | 106.8° | 109.5° |
| O5 | C5 | C4 | 109.5° | 109.4° |
| O5 | C5 | H5 | 109.8° | 109.5° |
| C6 | C5 | C4 | 113.3° | 109.5° |
| C5 | C6 | O6 | 111.5° | 109.5° |
| C6 | C5 | H5 | 108.8° | 109.5° |
| C5 | C6 | H61 | 109.0° | 109.5° |
| C5 | C6 | H62 | 109.0° | 109.4° |
| C5 | C4 | C3 | 108.8° | 109.2° |
| C5 | C4 | O4 | 110.0° | 109.5° |
| C5 | C4 | H4 | 108.5° | 109.6° |
| C4 | C5 | H5 | 108.6° | 109.5° |
| C2 | C3 | C4 | 110.2° | 109.0° |
| C2 | C3 | O3 | 110.3° | 109.6° |
| C3 | C2 | H2 | 109.1° | 109.5° |
| C3 | C2 | H21 | 109.1° | 109.5° |
| C2 | C3 | H3 | 108.1° | 109.6° |
| C4 | C3 | O3 | 110.8° | 109.6° |
| C3 | C4 | O4 | 110.8° | 109.5° |
| C3 | C4 | H4 | 108.7° | 109.5° |
| C4 | C3 | H3 | 108.1° | 109.4° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O3 | C3 | H3 | 109.3° | 109.6° |
| O6 | C6 | H61 | 109.0° | 109.5° |
| O6 | C6 | H62 | 109.0° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O4 | C4 | H4 | 110.0° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| HAR | CAR | HAS | 109.5° | 109.5° |
| HAR | CAR | HAT | 109.4° | 109.5° |
| HAS | CAR | HAT | 109.5° | 109.5° |
| HAQ | CAQ | HAU | 109.5° | 109.5° |
| HAV | CAP | HAP | 109.5° | 109.4° |
| HAO | CAO | HAW | 109.5° | 109.5° |
| HAX | CAN | HAN | 109.5° | 109.5° |
| HAM | CAM | HAY | 109.5° | 109.5° |
| HAZ | CAL | HAL | 109.5° | 109.5° |
| H2 | C2 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAR | CAQ | CAP | HAQ | 120.2° | 120.0° |
| CAR | CAQ | CAP | HAU | 120.2° | 120.0° |
| CAR | CAQ | CAP | CAO | 179.5° | 180.0° |
| CAQ | CAR | HAR | HAS | 120.0° | 119.9° |
| CAQ | CAR | HAR | HAT | 120.0° | 120.0° |
| CAQ | CAR | HAS | HAT | 120.0° | 120.0° |
| CAR | CAQ | HAQ | HAU | 119.3° | 119.9° |
| CAR | CAQ | CAP | HAV | 59.8° | 60.0° |
| CAR | CAQ | CAP | HAP | 58.8° | 60.0° |
| CAQ | CAP | CAO | HAV | 120.7° | 120.0° |
| CAQ | CAP | CAO | HAP | 120.7° | 120.0° |
| CAQ | CAP | CAO | CAN | 176.9° | 180.0° |
| CAP | CAQ | CAR | HAR | 180.0° | 59.9° |
| CAP | CAQ | CAR | HAS | 60.0° | 60.0° |
| CAP | CAQ | CAR | HAT | 60.0° | 180.0° |
| CAP | CAQ | HAQ | HAU | 119.3° | 120.1° |
| CAQ | CAP | HAV | HAP | 117.8° | 120.0° |
| CAQ | CAP | CAO | HAO | 56.5° | 60.0° |
| CAQ | CAP | CAO | HAW | 62.6° | 60.0° |
| CAP | CAO | CAN | HAO | 120.5° | 120.0° |
| CAP | CAO | CAN | HAW | 120.5° | 120.0° |
| CAP | CAO | CAN | CAM | 173.0° | 180.0° |
| CAO | CAP | CAQ | HAQ | 59.2° | 60.1° |
| CAO | CAP | CAQ | HAU | 60.3° | 60.0° |
| CAO | CAP | HAV | HAP | 117.8° | 120.0° |
| CAP | CAO | HAO | HAW | 118.5° | 120.0° |
| CAP | CAO | CAN | HAX | 52.5° | 60.0° |
| CAP | CAO | CAN | HAN | 66.4° | 60.0° |
| CAO | CAN | CAM | HAX | 120.5° | 120.0° |
| CAO | CAN | CAM | HAN | 120.5° | 120.0° |
| CAO | CAN | CAM | CAL | 177.6° | 180.0° |
| CAN | CAO | CAP | HAV | 62.4° | 60.0° |
| CAN | CAO | CAP | HAP | 56.3° | 60.0° |
| CAN | CAO | HAO | HAW | 118.5° | 120.0° |
| CAO | CAN | HAX | HAN | 118.4° | 120.1° |
| CAO | CAN | CAM | HAM | 61.8° | 60.0° |
| CAO | CAN | CAM | HAY | 56.9° | 60.0° |
| CAN | CAM | CAL | HAM | 120.6° | 120.0° |
| CAN | CAM | CAL | HAY | 120.6° | 120.0° |
| CAN | CAM | CAL | O1 | 172.7° | 180.0° |
| CAM | CAN | CAO | HAO | 66.5° | 60.0° |
| CAM | CAN | CAO | HAW | 52.6° | 60.0° |
| CAM | CAN | HAX | HAN | 118.4° | 119.9° |
| CAN | CAM | HAM | HAY | 118.1° | 119.9° |
| CAN | CAM | CAL | HAZ | 67.9° | 60.0° |
| CAN | CAM | CAL | HAL | 53.2° | 60.0° |
| CAM | CAL | O1 | HAZ | 119.5° | 120.0° |
| CAM | CAL | O1 | HAL | 119.5° | 120.0° |
| CAM | CAL | O1 | C1 | 167.9° | 180.0° |
| CAL | CAM | CAN | HAX | 57.0° | 60.0° |
| CAL | CAM | CAN | HAN | 61.9° | 60.0° |
| CAL | CAM | HAM | HAY | 118.0° | 120.1° |
| CAM | CAL | HAZ | HAL | 121.6° | 120.0° |
| CAL | O1 | C1 | O5 | 57.9° | 70.0° |
| CAL | O1 | C1 | C2 | 179.4° | 170.1° |
| O1 | CAL | CAM | HAM | 52.0° | 60.1° |
| O1 | CAL | CAM | HAY | 66.7° | 60.0° |
| O1 | CAL | HAZ | HAL | 121.6° | 120.0° |
| CAL | O1 | C1 | H1 | 62.2° | 50.0° |
| O1 | C1 | O5 | C2 | 120.1° | 120.0° |
| O1 | C1 | O5 | H1 | 120.4° | 120.0° |
| O1 | C1 | C2 | H1 | 119.4° | 120.1° |
| O1 | C1 | O5 | C5 | 61.0° | 58.8° |
| O1 | C1 | C2 | C3 | 66.5° | 62.4° |
| C1 | O1 | CAL | HAZ | 72.6° | 60.0° |
| C1 | O1 | CAL | HAL | 48.4° | 60.0° |
| O1 | C1 | C2 | H2 | 53.7° | 57.5° |
| O1 | C1 | C2 | H21 | 173.2° | 177.7° |
| O5 | C1 | C2 | H1 | 120.2° | 120.0° |
| C1 | O5 | C5 | C6 | 175.1° | 178.8° |
| C1 | O5 | C5 | C4 | 61.9° | 61.2° |
| O5 | C1 | C2 | C3 | 53.8° | 57.6° |
| C1 | O5 | C5 | H5 | 57.3° | 58.8° |
| O5 | C1 | C2 | H2 | 174.0° | 177.5° |
| O5 | C1 | C2 | H21 | 66.4° | 62.3° |
| C2 | C1 | O5 | C5 | 59.1° | 61.2° |
| C1 | C2 | C3 | H2 | 120.2° | 119.9° |
| C1 | C2 | C3 | H21 | 120.2° | 119.9° |
| C1 | C2 | C3 | C4 | 53.2° | 56.9° |
| C1 | C2 | C3 | O3 | 175.9° | 176.9° |
| C1 | C2 | H2 | H21 | 119.3° | 120.2° |
| C1 | C2 | C3 | H3 | 64.7° | 62.8° |
| O5 | C5 | C6 | C4 | 120.6° | 119.9° |
| O5 | C5 | C6 | H5 | 118.5° | 120.0° |
| O5 | C5 | C4 | H5 | 119.8° | 120.0° |
| O5 | C5 | C4 | C3 | 59.0° | 57.6° |
| O5 | C5 | C6 | O6 | 60.1° | 65.0° |
| O5 | C5 | C4 | O4 | 179.4° | 177.5° |
| O5 | C5 | C4 | H4 | 59.0° | 62.3° |
| O5 | C5 | C6 | H61 | 60.2° | 174.9° |
| O5 | C5 | C6 | H62 | 179.6° | 54.9° |
| C5 | O5 | C1 | H1 | 178.6° | 178.8° |
| C6 | C5 | C4 | H5 | 121.0° | 120.0° |
| C6 | C5 | C4 | C3 | 178.2° | 177.6° |
| C5 | C6 | O6 | H61 | 120.3° | 120.1° |
| C5 | C6 | O6 | H62 | 120.3° | 120.0° |
| C6 | C5 | C4 | O4 | 60.3° | 62.5° |
| C6 | C5 | C4 | H4 | 60.1° | 57.6° |
| C5 | C6 | H61 | H62 | 119.1° | 119.9° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 55.6° | 56.9° |
| C5 | C4 | C3 | O4 | 121.0° | 119.9° |
| C5 | C4 | C3 | H4 | 118.0° | 120.0° |
| C5 | C4 | C3 | O3 | 178.0° | 176.8° |
| C4 | C5 | C6 | O6 | 60.5° | 175.0° |
| C5 | C4 | O4 | H4 | 119.5° | 120.2° |
| C5 | C4 | O4 | HO4 | 180.0° | 179.9° |
| C4 | C5 | C6 | H61 | 179.2° | 55.0° |
| C4 | C5 | C6 | H62 | 59.8° | 65.0° |
| C5 | C4 | C3 | H3 | 62.3° | 62.9° |
| C2 | C3 | C4 | O3 | 122.4° | 119.9° |
| C2 | C3 | C4 | H3 | 117.9° | 119.8° |
| C2 | C3 | O3 | H3 | 118.7° | 120.3° |
| C2 | C3 | C4 | O4 | 176.6° | 176.8° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | H4 | 62.4° | 63.1° |
| C3 | C2 | C1 | H1 | 174.1° | 177.6° |
| C3 | C2 | H2 | H21 | 119.4° | 120.1° |
| C4 | C3 | O3 | H3 | 119.0° | 120.1° |
| C3 | C4 | O4 | H4 | 120.2° | 120.1° |
| C4 | C3 | O3 | HO3 | 57.7° | 179.6° |
| C3 | C4 | C5 | H5 | 60.8° | 62.4° |
| C3 | C4 | O4 | HO4 | 59.7° | 60.2° |
| C4 | C3 | C2 | H2 | 173.4° | 176.8° |
| C4 | C3 | C2 | H21 | 67.0° | 63.1° |
| O3 | C3 | C4 | O4 | 61.0° | 63.3° |
| O3 | C3 | C4 | H4 | 60.0° | 56.9° |
| O3 | C3 | C2 | H2 | 63.9° | 63.2° |
| O3 | C3 | C2 | H21 | 55.7° | 56.9° |
| O6 | C6 | C5 | H5 | 178.6° | 55.0° |
| O6 | C6 | H61 | H62 | 119.1° | 120.0° |
| O4 | C4 | C5 | H5 | 60.7° | 57.5° |
| O4 | C4 | C3 | H3 | 58.7° | 57.0° |
| HO3 | O3 | C3 | H3 | 61.3° | 60.2° |
| H4 | C4 | C5 | H5 | 178.9° | 177.7° |
| H4 | C4 | O4 | HO4 | 60.5° | 59.9° |
| H4 | C4 | C3 | H3 | 179.7° | 177.1° |
| H5 | C5 | C6 | H61 | 58.3° | 65.1° |
| H5 | C5 | C6 | H62 | 61.1° | 175.0° |
| H61 | C6 | O6 | HO6 | 59.7° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.7° | 60.0° |
| HAR | CAR | HAS | HAT | 120.0° | 120.1° |
| HAR | CAR | CAQ | HAQ | 59.8° | 60.1° |
| HAR | CAR | CAQ | HAU | 59.8° | 180.0° |
| HAS | CAR | CAQ | HAQ | 60.2° | 180.0° |
| HAS | CAR | CAQ | HAU | 179.8° | 60.1° |
| HAT | CAR | CAQ | HAQ | 179.8° | 60.0° |
| HAT | CAR | CAQ | HAU | 60.2° | 59.9° |
| HAQ | CAQ | CAP | HAV | 179.9° | 180.0° |
| HAQ | CAQ | CAP | HAP | 61.5° | 60.0° |
| HAU | CAQ | CAP | HAV | 60.4° | 60.0° |
| HAU | CAQ | CAP | HAP | 179.0° | 180.0° |
| HAV | CAP | CAO | HAO | 177.2° | 180.0° |
| HAV | CAP | CAO | HAW | 58.1° | 60.0° |
| HAP | CAP | CAO | HAO | 64.2° | 60.0° |
| HAP | CAP | CAO | HAW | 176.7° | 180.0° |
| HAO | CAO | CAN | HAX | 173.0° | 180.0° |
| HAO | CAO | CAN | HAN | 54.0° | 60.0° |
| HAW | CAO | CAN | HAX | 67.9° | 60.0° |
| HAW | CAO | CAN | HAN | 173.1° | 180.0° |
| HAX | CAN | CAM | HAM | 177.6° | 180.0° |
| HAX | CAN | CAM | HAY | 63.6° | 60.0° |
| HAN | CAN | CAM | HAM | 58.7° | 60.0° |
| HAN | CAN | CAM | HAY | 177.5° | 180.0° |
| HAM | CAM | CAL | HAZ | 171.5° | 180.0° |
| HAM | CAM | CAL | HAL | 67.5° | 60.0° |
| HAY | CAM | CAL | HAZ | 52.7° | 60.0° |
| HAY | CAM | CAL | HAL | 173.8° | 180.0° |
| H1 | C1 | C2 | H2 | 65.7° | 62.5° |
| H1 | C1 | C2 | H21 | 53.8° | 57.6° |
| H2 | C2 | C3 | H3 | 55.5° | 57.1° |
| H21 | C2 | C3 | H3 | 175.1° | 177.2° |
