LD6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAY | CAZ | sing | 1.38Å | 1.40Å | Aromatic |
| CAY | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAZ | FBB | sing | 1.35Å | 1.21Å | |
| CAZ | CBA | doub | 1.38Å | 1.41Å | Aromatic |
| CBA | CAX | sing | 1.38Å | 1.38Å | Aromatic |
| CAX | CAW | doub | 1.38Å | 1.42Å | Aromatic |
| CAW | CAV | sing | 1.38Å | 1.43Å | Aromatic |
| CAV | CAU | sing | 1.51Å | 1.41Å | |
| CAU | NAQ | sing | 1.47Å | 1.52Å | |
| NAQ | CAR | sing | 1.38Å | 1.40Å | |
| NAQ | CAP | sing | 1.35Å | 1.32Å | |
| CAR | NAS | sing | 1.38Å | 1.36Å | |
| CAR | CAI | doub | 1.37Å | 1.43Å | |
| CAP | OAO | doub | 1.22Å | 1.21Å | |
| CAP | NAG | sing | 1.35Å | 1.40Å | |
| NAG | CAH | sing | 1.35Å | 1.43Å | |
| CAH | OAA | doub | 1.22Å | 1.24Å | |
| CAH | CAI | sing | 1.41Å | 1.42Å | |
| CAI | NAJ | sing | 1.41Å | 1.37Å | |
| NAJ | CAB | sing | 1.47Å | 1.48Å | |
| NAJ | SAK | sing | 1.66Å | 1.75Å | |
| SAK | OAT | doub | 1.42Å | 1.50Å | |
| SAK | OAC | doub | 1.42Å | 1.54Å | |
| SAK | CAL | sing | 1.76Å | 1.82Å | |
| CAL | CAM | sing | 1.38Å | 1.36Å | Aromatic |
| CAL | CAD | doub | 1.38Å | 1.38Å | Aromatic |
| CAM | CAN | doub | 1.38Å | 1.36Å | Aromatic |
| CAN | CAF | sing | 1.38Å | 1.38Å | Aromatic |
| CAF | CAE | doub | 1.38Å | 1.36Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.38Å | Aromatic |
| CAY | HAY | sing | 1.08Å | 1.08Å | |
| CBA | HBA | sing | 1.08Å | 1.08Å | |
| CAX | HAX | sing | 1.08Å | 1.08Å | |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| CAU | HAU1 | sing | 1.09Å | 1.10Å | |
| CAU | HAU2 | sing | 1.09Å | 1.10Å | |
| NAS | HAS1 | sing | 0.97Å | 1.00Å | |
| NAS | HAS2 | sing | 0.97Å | 1.00Å | |
| NAG | HAG | sing | 0.97Å | 1.00Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAZ | CAY | CAV | 120.2° | 120.0° |
| CAY | CAZ | FBB | 115.2° | 120.0° |
| CAY | CAZ | CBA | 123.6° | 119.9° |
| CAZ | CAY | HAY | 119.9° | 120.0° |
| CAY | CAV | CAW | 115.7° | 120.0° |
| CAY | CAV | CAU | 118.8° | 120.0° |
| CAV | CAY | HAY | 119.9° | 119.9° |
| FBB | CAZ | CBA | 121.2° | 120.0° |
| CAZ | CBA | CAX | 117.7° | 120.0° |
| CAZ | CBA | HBA | 121.2° | 120.0° |
| CBA | CAX | CAW | 118.9° | 120.0° |
| CAX | CBA | HBA | 121.2° | 120.0° |
| CBA | CAX | HAX | 120.5° | 120.0° |
| CAX | CAW | CAV | 123.9° | 120.1° |
| CAW | CAX | HAX | 120.5° | 120.0° |
| CAX | CAW | HAW | 118.1° | 120.0° |
| CAW | CAV | CAU | 125.4° | 120.0° |
| CAV | CAW | HAW | 118.1° | 119.9° |
| CAV | CAU | NAQ | 115.9° | 109.5° |
| CAV | CAU | HAU1 | 107.9° | 109.5° |
| CAV | CAU | HAU2 | 107.8° | 109.5° |
| CAU | NAQ | CAR | 125.6° | 119.8° |
| CAU | NAQ | CAP | 114.4° | 119.8° |
| NAQ | CAU | HAU1 | 107.8° | 109.5° |
| NAQ | CAU | HAU2 | 107.8° | 109.5° |
| CAR | NAQ | CAP | 120.0° | 120.4° |
| NAQ | CAR | NAS | 123.4° | 120.4° |
| NAQ | CAR | CAI | 119.7° | 119.3° |
| NAQ | CAP | OAO | 116.0° | 119.5° |
| NAQ | CAP | NAG | 123.9° | 121.0° |
| NAS | CAR | CAI | 116.8° | 120.3° |
| CAR | NAS | HAS1 | 109.5° | 119.9° |
| CAR | NAS | HAS2 | 109.5° | 120.0° |
| CAR | CAI | CAH | 119.4° | 119.0° |
| CAR | CAI | NAJ | 122.9° | 120.5° |
| OAO | CAP | NAG | 120.1° | 119.5° |
| CAP | NAG | CAH | 118.4° | 120.6° |
| CAP | NAG | HAG | 120.8° | 119.7° |
| NAG | CAH | OAA | 119.6° | 120.2° |
| NAG | CAH | CAI | 118.5° | 119.6° |
| CAH | NAG | HAG | 120.8° | 119.7° |
| OAA | CAH | CAI | 121.9° | 120.2° |
| CAH | CAI | NAJ | 117.7° | 120.5° |
| CAI | NAJ | CAB | 118.4° | 120.0° |
| CAI | NAJ | SAK | 120.0° | 120.0° |
| CAB | NAJ | SAK | 121.4° | 120.0° |
| NAJ | CAB | HAB1 | 109.5° | 109.4° |
| NAJ | CAB | HAB2 | 109.5° | 109.5° |
| NAJ | CAB | HAB3 | 109.5° | 109.5° |
| NAJ | SAK | OAT | 107.0° | 106.4° |
| NAJ | SAK | OAC | 114.2° | 106.4° |
| NAJ | SAK | CAL | 107.0° | 107.2° |
| OAT | SAK | OAC | 111.2° | 123.2° |
| OAT | SAK | CAL | 107.6° | 106.4° |
| OAC | SAK | CAL | 109.6° | 106.4° |
| SAK | CAL | CAM | 120.1° | 120.0° |
| SAK | CAL | CAD | 120.2° | 120.0° |
| CAM | CAL | CAD | 119.7° | 120.0° |
| CAL | CAM | CAN | 119.4° | 120.0° |
| CAL | CAM | HAM | 120.3° | 120.0° |
| CAL | CAD | CAE | 120.8° | 120.0° |
| CAL | CAD | HAD | 119.6° | 120.0° |
| CAM | CAN | CAF | 121.1° | 119.9° |
| CAN | CAM | HAM | 120.3° | 120.0° |
| CAM | CAN | HAN | 119.5° | 120.0° |
| CAN | CAF | CAE | 119.8° | 120.0° |
| CAF | CAN | HAN | 119.4° | 120.0° |
| CAN | CAF | HAF | 120.1° | 119.9° |
| CAF | CAE | CAD | 119.0° | 120.0° |
| CAE | CAF | HAF | 120.1° | 120.0° |
| CAF | CAE | HAE | 120.5° | 120.0° |
| CAE | CAD | HAD | 119.6° | 120.0° |
| CAD | CAE | HAE | 120.5° | 120.0° |
| HAU1 | CAU | HAU2 | 109.5° | 109.5° |
| HAS1 | NAS | HAS2 | 109.5° | 120.0° |
| HAB1 | CAB | HAB2 | 109.4° | 109.4° |
| HAB1 | CAB | HAB3 | 109.4° | 109.5° |
| HAB2 | CAB | HAB3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAZ | CAY | CAV | HAY | 180.0° | 179.7° |
| CAY | CAZ | FBB | CBA | 179.0° | 180.0° |
| CAY | CAZ | CBA | CAX | 0.3° | 0.0° |
| CAZ | CAY | CAV | CAW | 1.5° | 0.1° |
| CAZ | CAY | CAV | CAU | 178.6° | 180.0° |
| CAY | CAZ | CBA | HBA | 179.7° | 180.0° |
| CAV | CAY | CAZ | FBB | 179.8° | 180.0° |
| CAV | CAY | CAZ | CBA | 0.9° | 0.1° |
| CAY | CAV | CAW | CAX | 1.5° | 0.1° |
| CAY | CAV | CAW | CAU | 176.9° | 180.0° |
| CAY | CAV | CAU | NAQ | 108.4° | 90.0° |
| CAY | CAV | CAW | HAW | 178.4° | 180.0° |
| CAY | CAV | CAU | HAU1 | 12.5° | 150.0° |
| CAY | CAV | CAU | HAU2 | 130.6° | 30.0° |
| FBB | CAZ | CBA | CAX | 179.1° | 180.0° |
| FBB | CAZ | CAY | HAY | 0.1° | 0.3° |
| FBB | CAZ | CBA | HBA | 0.9° | 0.0° |
| CAZ | CBA | CAX | HBA | 180.0° | 180.0° |
| CAZ | CBA | CAX | CAW | 0.3° | 0.0° |
| CBA | CAZ | CAY | HAY | 179.1° | 179.7° |
| CAZ | CBA | CAX | HAX | 179.8° | 180.0° |
| CBA | CAX | CAW | HAX | 180.0° | 180.0° |
| CBA | CAX | CAW | CAV | 1.0° | 0.1° |
| CBA | CAX | CAW | HAW | 179.0° | 180.0° |
| CAX | CAW | CAV | HAW | 180.0° | 180.0° |
| CAX | CAW | CAV | CAU | 178.5° | 180.0° |
| CAW | CAX | CBA | HBA | 179.7° | 180.0° |
| CAW | CAV | CAU | NAQ | 74.8° | 90.0° |
| CAW | CAV | CAY | HAY | 178.5° | 179.8° |
| CAV | CAW | CAX | HAX | 179.1° | 180.0° |
| CAW | CAV | CAU | HAU1 | 164.3° | 30.0° |
| CAW | CAV | CAU | HAU2 | 46.2° | 150.0° |
| CAV | CAU | NAQ | HAU1 | 120.9° | 120.0° |
| CAV | CAU | NAQ | HAU2 | 120.9° | 120.0° |
| CAV | CAU | NAQ | CAR | 94.8° | 90.0° |
| CAV | CAU | NAQ | CAP | 85.7° | 90.3° |
| CAU | CAV | CAY | HAY | 1.4° | 0.3° |
| CAU | CAV | CAW | HAW | 1.5° | 0.0° |
| CAV | CAU | HAU1 | HAU2 | 117.1° | 120.0° |
| CAU | NAQ | CAR | CAP | 179.4° | 179.7° |
| CAU | NAQ | CAR | NAS | 1.0° | 0.0° |
| CAU | NAQ | CAR | CAI | 178.7° | 180.0° |
| CAU | NAQ | CAP | OAO | 1.1° | 0.0° |
| CAU | NAQ | CAP | NAG | 179.2° | 180.0° |
| NAQ | CAU | HAU1 | HAU2 | 117.1° | 120.0° |
| NAQ | CAR | NAS | CAI | 177.8° | 180.0° |
| CAR | NAQ | CAP | OAO | 178.4° | 179.7° |
| CAR | NAQ | CAP | NAG | 1.3° | 0.3° |
| NAQ | CAR | CAI | CAH | 2.1° | 0.0° |
| NAQ | CAR | CAI | NAJ | 179.5° | 180.0° |
| CAR | NAQ | CAU | HAU1 | 26.1° | 30.0° |
| CAR | NAQ | CAU | HAU2 | 144.2° | 150.0° |
| NAQ | CAR | NAS | HAS1 | 180.0° | 6.3° |
| NAQ | CAR | NAS | HAS2 | 60.0° | 173.6° |
| CAP | NAQ | CAR | NAS | 179.6° | 179.7° |
| CAP | NAQ | CAR | CAI | 1.9° | 0.3° |
| NAQ | CAP | OAO | NAG | 179.7° | 180.0° |
| NAQ | CAP | NAG | CAH | 1.0° | 0.0° |
| CAP | NAQ | CAU | HAU1 | 153.3° | 149.7° |
| CAP | NAQ | CAU | HAU2 | 35.2° | 29.8° |
| NAQ | CAP | NAG | HAG | 179.0° | 179.9° |
| NAS | CAR | CAI | CAH | 180.0° | 180.0° |
| NAS | CAR | CAI | NAJ | 1.6° | 0.0° |
| CAR | NAS | HAS1 | HAS2 | 120.0° | 179.9° |
| CAR | CAI | CAH | NAG | 1.8° | 0.2° |
| CAR | CAI | CAH | OAA | 178.7° | 180.0° |
| CAR | CAI | CAH | NAJ | 178.5° | 179.9° |
| CAR | CAI | NAJ | CAB | 99.3° | 48.5° |
| CAR | CAI | NAJ | SAK | 86.4° | 131.6° |
| CAI | CAR | NAS | HAS1 | 2.2° | 173.7° |
| CAI | CAR | NAS | HAS2 | 117.8° | 6.4° |
| OAO | CAP | NAG | CAH | 178.7° | 180.0° |
| OAO | CAP | NAG | HAG | 1.3° | 0.1° |
| CAP | NAG | CAH | HAG | 180.0° | 179.9° |
| CAP | NAG | CAH | OAA | 179.3° | 180.0° |
| CAP | NAG | CAH | CAI | 1.2° | 0.3° |
| NAG | CAH | OAA | CAI | 179.5° | 179.7° |
| NAG | CAH | CAI | NAJ | 179.8° | 179.7° |
| OAA | CAH | CAI | NAJ | 0.3° | 0.1° |
| OAA | CAH | NAG | HAG | 0.7° | 0.0° |
| CAH | CAI | NAJ | CAB | 79.1° | 131.6° |
| CAH | CAI | NAJ | SAK | 95.2° | 48.4° |
| CAI | CAH | NAG | HAG | 178.8° | 179.8° |
| CAI | NAJ | CAB | SAK | 174.2° | 179.9° |
| CAI | NAJ | SAK | OAT | 49.4° | 136.2° |
| CAI | NAJ | SAK | OAC | 172.8° | 3.3° |
| CAI | NAJ | SAK | CAL | 65.7° | 110.3° |
| CAI | NAJ | CAB | HAB1 | 180.0° | 121.9° |
| CAI | NAJ | CAB | HAB2 | 60.0° | 118.2° |
| CAI | NAJ | CAB | HAB3 | 60.0° | 1.8° |
| CAB | NAJ | SAK | OAT | 136.5° | 43.8° |
| CAB | NAJ | SAK | OAC | 13.1° | 176.8° |
| CAB | NAJ | SAK | CAL | 108.4° | 69.7° |
| NAJ | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| NAJ | CAB | HAB1 | HAB3 | 120.0° | 120.0° |
| NAJ | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| NAJ | SAK | OAT | OAC | 125.3° | 122.9° |
| NAJ | SAK | OAT | CAL | 114.7° | 114.1° |
| NAJ | SAK | OAC | CAL | 120.0° | 114.1° |
| NAJ | SAK | CAL | CAM | 81.7° | 90.0° |
| NAJ | SAK | CAL | CAD | 97.3° | 90.3° |
| SAK | NAJ | CAB | HAB1 | 5.8° | 58.2° |
| SAK | NAJ | CAB | HAB2 | 125.8° | 61.8° |
| SAK | NAJ | CAB | HAB3 | 114.2° | 178.2° |
| OAT | SAK | OAC | CAL | 118.8° | 123.0° |
| OAT | SAK | CAL | CAM | 163.6° | 23.5° |
| OAT | SAK | CAL | CAD | 17.3° | 156.2° |
| OAC | SAK | CAL | CAM | 42.6° | 156.5° |
| OAC | SAK | CAL | CAD | 138.4° | 23.3° |
| SAK | CAL | CAM | CAD | 179.0° | 179.7° |
| SAK | CAL | CAM | CAN | 178.9° | 180.0° |
| SAK | CAL | CAD | CAE | 177.4° | 179.8° |
| SAK | CAL | CAM | HAM | 1.1° | 0.0° |
| SAK | CAL | CAD | HAD | 2.6° | 0.0° |
| CAL | CAM | CAN | HAM | 180.0° | 180.0° |
| CAL | CAM | CAN | CAF | 0.7° | 0.0° |
| CAM | CAL | CAD | CAE | 3.6° | 0.5° |
| CAM | CAL | CAD | HAD | 176.4° | 179.7° |
| CAL | CAM | CAN | HAN | 179.3° | 179.9° |
| CAD | CAL | CAM | CAN | 2.1° | 0.3° |
| CAL | CAD | CAE | CAF | 3.5° | 0.4° |
| CAL | CAD | CAE | HAD | 180.0° | 179.8° |
| CAD | CAL | CAM | HAM | 177.9° | 179.7° |
| CAL | CAD | CAE | HAE | 176.5° | 179.7° |
| CAM | CAN | CAF | HAN | 180.0° | 180.0° |
| CAM | CAN | CAF | CAE | 0.7° | 0.1° |
| CAM | CAN | CAF | HAF | 179.3° | 180.0° |
| CAN | CAF | CAE | HAF | 180.0° | 180.0° |
| CAN | CAF | CAE | CAD | 2.1° | 0.2° |
| CAF | CAN | CAM | HAM | 179.3° | 180.0° |
| CAN | CAF | CAE | HAE | 177.9° | 180.0° |
| CAF | CAE | CAD | HAE | 180.0° | 179.9° |
| CAF | CAE | CAD | HAD | 176.5° | 179.8° |
| CAE | CAF | CAN | HAN | 179.3° | 180.0° |
| CAD | CAE | CAF | HAF | 177.9° | 179.8° |
| HBA | CBA | CAX | HAX | 0.2° | 0.0° |
| HAX | CAX | CAW | HAW | 0.9° | 0.0° |
| HAB1 | CAB | HAB2 | HAB3 | 119.9° | 120.0° |
| HAM | CAM | CAN | HAN | 0.7° | 0.0° |
| HAD | CAD | CAE | HAE | 3.5° | 0.1° |
| HAN | CAN | CAF | HAF | 0.7° | 0.0° |
| HAF | CAF | CAE | HAE | 2.1° | 0.0° |
