DLR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAS | sing | 1.40Å | 1.41Å | Aromatic |
| CAJ | CAR | doub | 1.36Å | 1.42Å | Aromatic |
| CAS | CAI | sing | 1.46Å | 1.35Å | Aromatic |
| CAS | CAT | doub | 1.41Å | 1.39Å | Aromatic |
| CAI | NAM | doub | 1.30Å | 1.34Å | Aromatic |
| NAM | NAN | sing | 1.40Å | 1.25Å | Aromatic |
| NAN | CAT | sing | 1.37Å | 1.37Å | Aromatic |
| CAT | CAH | sing | 1.39Å | 1.42Å | Aromatic |
| CAH | CAG | doub | 1.37Å | 1.41Å | Aromatic |
| CAG | CAR | sing | 1.39Å | 1.42Å | Aromatic |
| CAR | CAU | sing | 1.51Å | 1.55Å | |
| CAU | SAO | sing | 1.84Å | 1.85Å | |
| CAU | NAV | sing | 1.47Å | 1.49Å | |
| SAO | CAK | sing | 1.84Å | 1.82Å | |
| CAK | CAP | sing | 1.52Å | 1.53Å | |
| CAP | OAA | doub | 1.21Å | 1.21Å | |
| CAP | NAV | sing | 1.33Å | 1.34Å | |
| NAV | CAL | sing | 1.47Å | 1.47Å | |
| CAL | CAQ | sing | 1.51Å | 1.52Å | |
| CAQ | CAE | sing | 1.38Å | 1.41Å | Aromatic |
| CAQ | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAB | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | CAD | doub | 1.38Å | 1.41Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| NAN | HAN | sing | 0.97Å | 1.00Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAU | HAU | sing | 1.09Å | 1.10Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAS | CAJ | CAR | 118.8° | 119.6° |
| CAJ | CAS | CAI | 133.8° | 134.1° |
| CAJ | CAS | CAT | 121.3° | 119.6° |
| CAS | CAJ | HAJ | 120.6° | 120.2° |
| CAJ | CAR | CAG | 120.6° | 120.6° |
| CAJ | CAR | CAU | 118.0° | 119.7° |
| CAR | CAJ | HAJ | 120.6° | 120.2° |
| CAI | CAS | CAT | 104.9° | 106.3° |
| CAS | CAI | NAM | 109.2° | 107.8° |
| CAS | CAI | HAI | 125.4° | 126.1° |
| CAS | CAT | NAN | 105.9° | 106.7° |
| CAS | CAT | CAH | 120.2° | 119.4° |
| CAI | NAM | NAN | 109.0° | 110.0° |
| NAM | CAI | HAI | 125.4° | 126.1° |
| NAM | NAN | CAT | 110.9° | 109.1° |
| NAM | NAN | HAN | 124.5° | 125.4° |
| NAN | CAT | CAH | 133.9° | 133.9° |
| CAT | NAN | HAN | 124.6° | 125.5° |
| CAT | CAH | CAG | 119.9° | 119.9° |
| CAT | CAH | HAH | 120.0° | 120.0° |
| CAH | CAG | CAR | 119.2° | 120.8° |
| CAG | CAH | HAH | 120.0° | 120.1° |
| CAH | CAG | HAG | 120.4° | 119.7° |
| CAG | CAR | CAU | 121.4° | 119.7° |
| CAR | CAG | HAG | 120.4° | 119.5° |
| CAR | CAU | SAO | 106.8° | 110.7° |
| CAR | CAU | NAV | 115.0° | 110.7° |
| CAR | CAU | HAU | 110.9° | 110.6° |
| SAO | CAU | NAV | 104.2° | 103.1° |
| CAU | SAO | CAK | 97.1° | 94.1° |
| SAO | CAU | HAU | 107.4° | 110.7° |
| CAU | NAV | CAP | 116.5° | 118.0° |
| CAU | NAV | CAL | 122.2° | 121.0° |
| NAV | CAU | HAU | 111.8° | 110.9° |
| SAO | CAK | CAP | 102.3° | 102.2° |
| SAO | CAK | HAK1 | 111.2° | 110.9° |
| SAO | CAK | HAK2 | 111.2° | 110.8° |
| CAK | CAP | OAA | 122.4° | 121.8° |
| CAK | CAP | NAV | 119.0° | 116.4° |
| CAP | CAK | HAK1 | 111.2° | 110.9° |
| CAP | CAK | HAK2 | 111.2° | 110.8° |
| OAA | CAP | NAV | 118.3° | 121.8° |
| CAP | NAV | CAL | 121.1° | 121.0° |
| NAV | CAL | CAQ | 111.7° | 109.5° |
| NAV | CAL | HAL1 | 108.9° | 109.5° |
| NAV | CAL | HAL2 | 108.9° | 109.4° |
| CAL | CAQ | CAE | 118.7° | 120.0° |
| CAL | CAQ | CAF | 118.8° | 120.0° |
| CAQ | CAL | HAL1 | 108.9° | 109.5° |
| CAQ | CAL | HAL2 | 108.9° | 109.5° |
| CAE | CAQ | CAF | 122.4° | 120.0° |
| CAQ | CAE | CAC | 119.2° | 120.0° |
| CAQ | CAE | HAE | 120.4° | 120.0° |
| CAQ | CAF | CAD | 117.6° | 120.0° |
| CAQ | CAF | HAF | 121.2° | 120.0° |
| CAE | CAC | CAB | 119.9° | 120.0° |
| CAC | CAE | HAE | 120.4° | 120.0° |
| CAE | CAC | HAC | 120.1° | 120.0° |
| CAC | CAB | CAD | 120.0° | 120.0° |
| CAB | CAC | HAC | 120.1° | 120.1° |
| CAC | CAB | HAB | 120.0° | 120.0° |
| CAB | CAD | CAF | 120.9° | 120.0° |
| CAD | CAB | HAB | 120.0° | 120.0° |
| CAB | CAD | HAD | 119.5° | 120.0° |
| CAD | CAF | HAF | 121.2° | 120.0° |
| CAF | CAD | HAD | 119.5° | 120.0° |
| HAK1 | CAK | HAK2 | 109.5° | 110.9° |
| HAL1 | CAL | HAL2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAS | CAJ | CAR | HAJ | 180.0° | 179.7° |
| CAJ | CAS | CAI | CAT | 180.0° | 179.9° |
| CAJ | CAS | CAI | NAM | 179.6° | 180.0° |
| CAJ | CAS | CAT | NAN | 179.6° | 180.0° |
| CAJ | CAS | CAT | CAH | 0.2° | 0.0° |
| CAS | CAJ | CAR | CAG | 1.0° | 0.1° |
| CAS | CAJ | CAR | CAU | 177.1° | 180.0° |
| CAJ | CAS | CAI | HAI | 0.4° | 0.0° |
| CAR | CAJ | CAS | CAI | 179.9° | 180.0° |
| CAR | CAJ | CAS | CAT | 0.1° | 0.1° |
| CAJ | CAR | CAG | CAH | 1.9° | 0.1° |
| CAJ | CAR | CAG | CAU | 176.0° | 179.9° |
| CAJ | CAR | CAU | SAO | 107.0° | 91.4° |
| CAJ | CAR | CAU | NAV | 137.9° | 154.9° |
| CAJ | CAR | CAG | HAG | 178.1° | 180.0° |
| CAJ | CAR | CAU | HAU | 9.7° | 31.6° |
| CAS | CAI | NAM | HAI | 180.0° | 179.9° |
| CAS | CAI | NAM | NAN | 0.2° | 0.0° |
| CAI | CAS | CAT | NAN | 0.4° | 0.0° |
| CAI | CAS | CAT | CAH | 179.8° | 180.0° |
| CAI | CAS | CAJ | HAJ | 0.1° | 0.3° |
| CAT | CAS | CAI | NAM | 0.3° | 0.0° |
| CAS | CAT | NAN | NAM | 0.3° | 0.0° |
| CAS | CAT | NAN | CAH | 179.3° | 180.0° |
| CAS | CAT | CAH | CAG | 1.1° | 0.0° |
| CAT | CAS | CAJ | HAJ | 179.9° | 179.8° |
| CAT | CAS | CAI | HAI | 179.7° | 179.9° |
| CAS | CAT | NAN | HAN | 179.7° | 180.0° |
| CAS | CAT | CAH | HAH | 178.8° | 180.0° |
| CAI | NAM | NAN | CAT | 0.1° | 0.0° |
| CAI | NAM | NAN | HAN | 179.9° | 180.0° |
| NAM | NAN | CAT | HAN | 180.0° | 180.0° |
| NAM | NAN | CAT | CAH | 179.6° | 180.0° |
| NAN | NAM | CAI | HAI | 179.8° | 179.9° |
| NAN | CAT | CAH | CAG | 179.7° | 180.0° |
| NAN | CAT | CAH | HAH | 0.4° | 0.0° |
| CAT | CAH | CAG | HAH | 180.0° | 180.0° |
| CAT | CAH | CAG | CAR | 2.0° | 0.0° |
| CAH | CAT | NAN | HAN | 0.4° | 0.1° |
| CAT | CAH | CAG | HAG | 178.0° | 180.0° |
| CAH | CAG | CAR | HAG | 180.0° | 179.9° |
| CAH | CAG | CAR | CAU | 177.9° | 180.0° |
| CAG | CAR | CAU | SAO | 69.1° | 88.5° |
| CAG | CAR | CAU | NAV | 46.1° | 25.2° |
| CAG | CAR | CAJ | HAJ | 179.0° | 179.8° |
| CAR | CAG | CAH | HAH | 178.0° | 179.9° |
| CAG | CAR | CAU | HAU | 174.2° | 148.5° |
| CAR | CAU | SAO | NAV | 122.2° | 118.4° |
| CAR | CAU | SAO | HAU | 119.1° | 123.0° |
| CAR | CAU | NAV | HAU | 127.7° | 123.1° |
| CAR | CAU | SAO | CAK | 129.4° | 140.4° |
| CAR | CAU | NAV | CAP | 120.4° | 135.2° |
| CAR | CAU | NAV | CAL | 64.8° | 44.8° |
| CAU | CAR | CAJ | HAJ | 2.9° | 0.3° |
| CAU | CAR | CAG | HAG | 2.1° | 0.1° |
| SAO | CAU | NAV | HAU | 115.7° | 118.4° |
| CAU | SAO | CAK | CAP | 8.2° | 21.5° |
| SAO | CAU | NAV | CAP | 3.8° | 16.7° |
| SAO | CAU | NAV | CAL | 178.6° | 163.2° |
| CAU | SAO | CAK | HAK1 | 110.7° | 96.7° |
| CAU | SAO | CAK | HAK2 | 127.0° | 139.6° |
| NAV | CAU | SAO | CAK | 7.2° | 21.9° |
| CAU | NAV | CAP | CAK | 2.7° | 0.4° |
| CAU | NAV | CAP | OAA | 176.7° | 179.6° |
| CAU | NAV | CAP | CAL | 174.9° | 180.0° |
| CAU | NAV | CAL | CAQ | 83.3° | 90.0° |
| CAU | NAV | CAL | HAL1 | 37.0° | 150.0° |
| CAU | NAV | CAL | HAL2 | 156.4° | 30.0° |
| SAO | CAK | CAP | HAK1 | 118.8° | 118.2° |
| SAO | CAK | CAP | HAK2 | 118.8° | 118.2° |
| SAO | CAK | CAP | OAA | 178.5° | 163.8° |
| SAO | CAK | CAP | NAV | 7.8° | 16.2° |
| CAK | SAO | CAU | HAU | 111.5° | 96.7° |
| SAO | CAK | HAK1 | HAK2 | 123.3° | 123.6° |
| CAK | CAP | OAA | NAV | 173.8° | 180.0° |
| CAK | CAP | NAV | CAL | 172.1° | 179.6° |
| CAP | CAK | HAK1 | HAK2 | 123.3° | 123.6° |
| OAA | CAP | NAV | CAL | 1.9° | 0.4° |
| OAA | CAP | CAK | HAK1 | 62.6° | 78.0° |
| OAA | CAP | CAK | HAK2 | 59.7° | 45.7° |
| CAP | NAV | CAL | CAQ | 102.1° | 90.0° |
| CAP | NAV | CAU | HAU | 111.9° | 101.7° |
| NAV | CAP | CAK | HAK1 | 111.1° | 102.0° |
| NAV | CAP | CAK | HAK2 | 126.6° | 134.3° |
| CAP | NAV | CAL | HAL1 | 137.6° | 30.0° |
| CAP | NAV | CAL | HAL2 | 18.2° | 150.0° |
| NAV | CAL | CAQ | HAL1 | 120.4° | 120.0° |
| NAV | CAL | CAQ | HAL2 | 120.3° | 120.0° |
| NAV | CAL | CAQ | CAE | 121.9° | 90.0° |
| NAV | CAL | CAQ | CAF | 57.3° | 90.3° |
| CAL | NAV | CAU | HAU | 62.9° | 78.3° |
| NAV | CAL | HAL1 | HAL2 | 119.0° | 120.0° |
| CAL | CAQ | CAE | CAF | 179.1° | 179.8° |
| CAL | CAQ | CAE | CAC | 179.3° | 180.0° |
| CAL | CAQ | CAF | CAD | 178.6° | 179.8° |
| CAQ | CAL | HAL1 | HAL2 | 119.0° | 120.0° |
| CAL | CAQ | CAE | HAE | 0.7° | 0.0° |
| CAL | CAQ | CAF | HAF | 1.4° | 0.0° |
| CAQ | CAE | CAC | HAE | 180.0° | 180.0° |
| CAQ | CAE | CAC | CAB | 0.3° | NaN° |
| CAE | CAQ | CAF | CAD | 0.5° | 0.4° |
| CAE | CAQ | CAL | HAL1 | 1.5° | 30.0° |
| CAE | CAQ | CAL | HAL2 | 117.8° | 150.0° |
| CAE | CAQ | CAF | HAF | 179.5° | 179.7° |
| CAQ | CAE | CAC | HAC | 179.7° | 180.0° |
| CAF | CAQ | CAE | CAC | 0.2° | 0.2° |
| CAQ | CAF | CAD | CAB | 1.2° | 0.3° |
| CAQ | CAF | CAD | HAF | 180.0° | 179.8° |
| CAF | CAQ | CAL | HAL1 | 177.6° | 149.8° |
| CAF | CAQ | CAL | HAL2 | 63.1° | 29.7° |
| CAF | CAQ | CAE | HAE | 179.8° | 179.8° |
| CAQ | CAF | CAD | HAD | 178.8° | 179.7° |
| CAE | CAC | CAB | HAC | 180.0° | 180.0° |
| CAE | CAC | CAB | CAD | 0.4° | 0.1° |
| CAE | CAC | CAB | HAB | 179.6° | 180.0° |
| CAC | CAB | CAD | HAB | 180.0° | 179.9° |
| CAC | CAB | CAD | CAF | 1.2° | 0.1° |
| CAB | CAC | CAE | HAE | 179.7° | 180.0° |
| CAC | CAB | CAD | HAD | 178.8° | 180.0° |
| CAB | CAD | CAF | HAD | 180.0° | 179.9° |
| CAB | CAD | CAF | HAF | 178.8° | 179.8° |
| CAD | CAB | CAC | HAC | 179.6° | 180.0° |
| CAF | CAD | CAB | HAB | 178.9° | 179.8° |
| HAH | CAH | CAG | HAG | 2.0° | 0.0° |
| HAE | CAE | CAC | HAC | 0.3° | 0.0° |
| HAF | CAF | CAD | HAD | 1.2° | 0.1° |
| HAC | CAC | CAB | HAB | 0.4° | 0.0° |
| HAB | CAB | CAD | HAD | 1.1° | 0.1° |
