181
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAJ | sing | 1.43Å | 1.43Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å | |
| CAJ | CAK | sing | 1.53Å | 1.55Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAK | OAN | sing | 1.43Å | 1.44Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| OAN | CAL | sing | 1.43Å | 1.44Å | |
| CAL | NAT | sing | 1.47Å | 1.41Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| NAT | CAS | sing | 1.34Å | 1.44Å | Aromatic |
| NAT | CAI | sing | 1.37Å | 1.42Å | Aromatic |
| CAS | OAB | doub | 1.22Å | 1.24Å | |
| CAS | NAM | sing | 1.34Å | 1.42Å | Aromatic |
| NAM | CAR | sing | 1.35Å | 1.42Å | Aromatic |
| NAM | HAM | sing | 0.97Å | 1.00Å | |
| CAR | OAA | doub | 1.22Å | 1.23Å | |
| CAR | CAQ | sing | 1.47Å | 1.43Å | Aromatic |
| CAI | CAQ | doub | 1.36Å | 1.41Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAQ | SAO | sing | 1.76Å | 1.77Å | |
| SAO | CAP | sing | 1.76Å | 1.76Å | |
| CAP | CAH | doub | 1.39Å | 1.44Å | Aromatic |
| CAP | CAG | sing | 1.39Å | 1.45Å | Aromatic |
| CAH | CAF | sing | 1.38Å | 1.45Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAF | CAD | doub | 1.38Å | 1.45Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAD | CAE | sing | 1.38Å | 1.44Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | CAG | doub | 1.38Å | 1.45Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAJ | OAC | HAC | 109.5° | 106.7° |
| OAC | CAJ | CAK | 109.1° | 109.4° |
| OAC | CAJ | HAJ1 | 109.7° | 109.4° |
| OAC | CAJ | HAJ2 | 109.6° | 109.5° |
| CAK | CAJ | HAJ1 | 109.7° | 109.5° |
| CAK | CAJ | HAJ2 | 109.6° | 109.5° |
| CAJ | CAK | OAN | 107.8° | 109.5° |
| CAJ | CAK | HAK1 | 110.4° | 109.4° |
| CAJ | CAK | HAK2 | 110.0° | 109.4° |
| HAJ1 | CAJ | HAJ2 | 109.2° | 109.5° |
| OAN | CAK | HAK1 | 110.4° | 109.5° |
| OAN | CAK | HAK2 | 110.0° | 109.5° |
| CAK | OAN | CAL | 111.2° | 106.8° |
| HAK1 | CAK | HAK2 | 108.2° | 109.5° |
| OAN | CAL | NAT | 120.5° | 109.4° |
| OAN | CAL | HAL1 | 103.4° | 109.6° |
| OAN | CAL | HAL2 | 106.0° | 109.5° |
| NAT | CAL | HAL1 | 103.4° | 109.4° |
| NAT | CAL | HAL2 | 105.9° | 109.4° |
| CAL | NAT | CAS | 122.8° | 119.4° |
| CAL | NAT | CAI | 117.8° | 119.4° |
| HAL1 | CAL | HAL2 | 118.6° | 109.5° |
| CAS | NAT | CAI | 119.4° | 121.2° |
| NAT | CAS | OAB | 122.7° | 119.1° |
| NAT | CAS | NAM | 119.1° | 121.7° |
| NAT | CAI | CAQ | 121.6° | 119.5° |
| NAT | CAI | HAI | 119.2° | 120.3° |
| OAB | CAS | NAM | 118.0° | 119.2° |
| CAS | NAM | CAR | 120.3° | 120.3° |
| CAS | NAM | HAM | 119.8° | 119.9° |
| CAR | NAM | HAM | 119.8° | 119.8° |
| NAM | CAR | OAA | 118.3° | 120.6° |
| NAM | CAR | CAQ | 121.1° | 118.8° |
| OAA | CAR | CAQ | 120.6° | 120.6° |
| CAR | CAQ | CAI | 118.5° | 118.4° |
| CAR | CAQ | SAO | 123.3° | 120.8° |
| CAQ | CAI | HAI | 119.2° | 120.2° |
| CAI | CAQ | SAO | 118.2° | 120.8° |
| CAQ | SAO | CAP | 103.4° | 100.0° |
| SAO | CAP | CAH | 122.6° | 120.1° |
| SAO | CAP | CAG | 117.9° | 120.1° |
| CAH | CAP | CAG | 119.5° | 119.8° |
| CAP | CAH | CAF | 120.5° | 119.9° |
| CAP | CAH | HAH | 119.7° | 120.0° |
| CAP | CAG | CAE | 120.7° | 119.9° |
| CAP | CAG | HAG | 119.6° | 120.1° |
| CAF | CAH | HAH | 119.7° | 120.1° |
| CAH | CAF | CAD | 119.0° | 120.1° |
| CAH | CAF | HAF | 120.5° | 119.9° |
| CAD | CAF | HAF | 120.5° | 120.0° |
| CAF | CAD | CAE | 121.6° | 120.1° |
| CAF | CAD | HAD | 119.2° | 119.9° |
| CAE | CAD | HAD | 119.2° | 119.9° |
| CAD | CAE | CAG | 118.7° | 120.1° |
| CAD | CAE | HAE | 120.6° | 119.9° |
| CAG | CAE | HAE | 120.7° | 120.0° |
| CAE | CAG | HAG | 119.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAJ | CAK | HAJ1 | 120.2° | 119.9° |
| OAC | CAJ | CAK | HAJ2 | 120.0° | 120.0° |
| OAC | CAJ | HAJ1 | HAJ2 | 120.1° | 120.0° |
| OAC | CAJ | CAK | OAN | 50.1° | 65.0° |
| OAC | CAJ | CAK | HAK1 | 170.7° | 175.0° |
| OAC | CAJ | CAK | HAK2 | 69.9° | 55.0° |
| HAC | OAC | CAJ | CAK | 39.1° | 179.9° |
| HAC | OAC | CAJ | HAJ1 | 159.2° | 60.0° |
| HAC | OAC | CAJ | HAJ2 | 80.9° | 60.0° |
| CAK | CAJ | HAJ1 | HAJ2 | 120.1° | 120.0° |
| CAJ | CAK | OAN | HAK1 | 120.7° | 120.0° |
| CAJ | CAK | OAN | HAK2 | 120.0° | 119.9° |
| CAJ | CAK | HAK1 | HAK2 | 120.5° | 119.9° |
| CAJ | CAK | OAN | CAL | 156.5° | 174.8° |
| HAJ1 | CAJ | CAK | OAN | 70.1° | 55.0° |
| HAJ1 | CAJ | CAK | HAK1 | 50.6° | 65.1° |
| HAJ1 | CAJ | CAK | HAK2 | 169.9° | 174.9° |
| HAJ2 | CAJ | CAK | OAN | 170.1° | 175.0° |
| HAJ2 | CAJ | CAK | HAK1 | 69.3° | 54.9° |
| HAJ2 | CAJ | CAK | HAK2 | 50.1° | 65.0° |
| OAN | CAK | HAK1 | HAK2 | 120.4° | 120.0° |
| CAK | OAN | CAL | NAT | 72.4° | 78.0° |
| CAK | OAN | CAL | HAL1 | 173.0° | 162.0° |
| CAK | OAN | CAL | HAL2 | 47.6° | 41.9° |
| HAK1 | CAK | OAN | CAL | 82.9° | 54.8° |
| HAK2 | CAK | OAN | CAL | 36.5° | 65.3° |
| OAN | CAL | NAT | HAL1 | 114.6° | 120.1° |
| OAN | CAL | NAT | HAL2 | 120.0° | 120.0° |
| OAN | CAL | HAL1 | HAL2 | 116.8° | 120.1° |
| OAN | CAL | NAT | CAS | 108.6° | 74.4° |
| OAN | CAL | NAT | CAI | 71.1° | 105.4° |
| NAT | CAL | HAL1 | HAL2 | 116.8° | 119.9° |
| CAL | NAT | CAS | CAI | 179.7° | 179.8° |
| CAL | NAT | CAS | OAB | 4.0° | 0.2° |
| CAL | NAT | CAS | NAM | 179.8° | 179.7° |
| CAL | NAT | CAI | CAQ | 179.9° | 180.0° |
| CAL | NAT | CAI | HAI | 0.1° | 0.0° |
| HAL1 | CAL | NAT | CAS | 136.8° | 45.6° |
| HAL1 | CAL | NAT | CAI | 43.5° | 134.6° |
| HAL2 | CAL | NAT | CAS | 11.4° | 165.6° |
| HAL2 | CAL | NAT | CAI | 168.9° | 14.6° |
| NAT | CAS | OAB | NAM | 176.3° | 179.5° |
| NAT | CAS | NAM | CAR | 0.4° | 0.5° |
| NAT | CAS | NAM | HAM | 179.6° | 179.7° |
| CAS | NAT | CAI | CAQ | 0.2° | 0.3° |
| CAS | NAT | CAI | HAI | 179.8° | 179.8° |
| CAI | NAT | CAS | OAB | 175.7° | 180.0° |
| CAI | NAT | CAS | NAM | 0.6° | 0.5° |
| NAT | CAI | CAQ | CAR | 0.4° | 0.0° |
| NAT | CAI | CAQ | HAI | 180.0° | 180.0° |
| NAT | CAI | CAQ | SAO | 179.4° | 180.0° |
| OAB | CAS | NAM | CAR | 176.1° | 180.0° |
| OAB | CAS | NAM | HAM | 3.9° | 0.2° |
| CAS | NAM | CAR | HAM | 180.0° | 179.8° |
| CAS | NAM | CAR | OAA | 178.5° | 179.7° |
| CAS | NAM | CAR | CAQ | 0.2° | 0.3° |
| NAM | CAR | OAA | CAQ | 178.7° | 180.0° |
| NAM | CAR | CAQ | CAI | 0.6° | 0.0° |
| NAM | CAR | CAQ | SAO | 179.1° | 180.0° |
| HAM | NAM | CAR | OAA | 1.5° | 0.1° |
| HAM | NAM | CAR | CAQ | 179.8° | 180.0° |
| OAA | CAR | CAQ | CAI | 178.1° | 179.9° |
| OAA | CAR | CAQ | SAO | 2.2° | 0.0° |
| CAR | CAQ | CAI | SAO | 179.7° | 180.0° |
| CAR | CAQ | CAI | HAI | 179.6° | 180.0° |
| CAR | CAQ | SAO | CAP | 82.6° | 174.7° |
| CAI | CAQ | SAO | CAP | 97.1° | 5.3° |
| HAI | CAI | CAQ | SAO | 0.6° | 0.0° |
| CAQ | SAO | CAP | CAH | 108.7° | 94.7° |
| CAQ | SAO | CAP | CAG | 72.0° | 85.6° |
| SAO | CAP | CAH | CAG | 179.3° | 179.8° |
| SAO | CAP | CAH | CAF | 179.2° | 180.0° |
| SAO | CAP | CAH | HAH | 0.8° | 0.0° |
| SAO | CAP | CAG | CAE | 179.3° | 179.8° |
| SAO | CAP | CAG | HAG | 0.8° | 0.2° |
| CAP | CAH | CAF | HAH | 180.0° | 180.0° |
| CAP | CAH | CAF | CAD | 0.0° | 0.0° |
| CAP | CAH | CAF | HAF | 180.0° | 180.0° |
| CAH | CAP | CAG | CAE | 0.1° | 0.4° |
| CAH | CAP | CAG | HAG | 179.9° | 180.0° |
| CAG | CAP | CAH | CAF | 0.1° | 0.2° |
| CAG | CAP | CAH | HAH | 179.9° | 179.8° |
| CAP | CAG | CAE | CAD | 0.0° | 0.5° |
| CAP | CAG | CAE | HAG | 180.0° | 179.6° |
| CAP | CAG | CAE | HAE | 179.9° | 179.7° |
| CAH | CAF | CAD | HAF | 180.0° | 180.0° |
| CAH | CAF | CAD | CAE | 0.0° | 0.0° |
| CAH | CAF | CAD | HAD | 180.0° | 180.0° |
| HAH | CAH | CAF | CAD | 180.0° | 180.0° |
| HAH | CAH | CAF | HAF | 0.0° | 0.0° |
| CAF | CAD | CAE | HAD | 180.0° | 180.0° |
| CAF | CAD | CAE | CAG | 0.0° | 0.2° |
| CAF | CAD | CAE | HAE | 180.0° | 179.9° |
| HAF | CAF | CAD | CAE | 180.0° | 180.0° |
| HAF | CAF | CAD | HAD | 0.0° | 0.0° |
| CAD | CAE | CAG | HAE | 180.0° | 179.9° |
| CAD | CAE | CAG | HAG | 180.0° | 180.0° |
| HAD | CAD | CAE | CAG | 180.0° | 179.8° |
| HAD | CAD | CAE | HAE | 0.0° | 0.1° |
| HAE | CAE | CAG | HAG | 0.1° | 0.1° |
