72G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAI | doub | 1.38Å | 1.38Å | Aromatic |
| CAJ | CAK | sing | 1.40Å | 1.38Å | Aromatic |
| CAQ | CAK | sing | 1.47Å | 1.53Å | |
| CAQ | OAR | doub | 1.21Å | 1.18Å | |
| CAI | CAH | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | CAL | doub | 1.40Å | 1.39Å | Aromatic |
| CAH | CAG | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | CAE | sing | 1.48Å | 1.52Å | |
| CAF | CAE | doub | 1.39Å | 1.52Å | Aromatic |
| CAF | CAA | sing | 1.38Å | 1.31Å | Aromatic |
| CAE | CAD | sing | 1.39Å | 1.31Å | Aromatic |
| CAA | CAB | doub | 1.38Å | 1.52Å | Aromatic |
| CAD | CAC | doub | 1.38Å | 1.52Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.32Å | Aromatic |
| CAB | SAM | sing | 1.76Å | 1.80Å | |
| NAP | SAM | sing | 1.66Å | 1.68Å | |
| SAM | OAN | doub | 1.42Å | 1.47Å | |
| SAM | OAO | doub | 1.42Å | 1.48Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| NAP | HAP | sing | 0.97Å | 1.00Å | |
| NAP | HAR | sing | 0.97Å | 1.00Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAJ | CAK | 120.2° | 120.1° |
| CAJ | CAI | CAH | 120.1° | 120.3° |
| CAI | CAJ | HAJ | 119.9° | 120.0° |
| CAJ | CAI | HAI | 120.0° | 119.8° |
| CAJ | CAK | CAQ | 118.9° | 120.1° |
| CAJ | CAK | CAL | 120.0° | 119.8° |
| CAK | CAJ | HAJ | 119.9° | 120.0° |
| CAK | CAQ | OAR | 119.4° | 120.0° |
| CAQ | CAK | CAL | 121.1° | 120.1° |
| CAK | CAQ | HAQ | 120.3° | 120.0° |
| OAR | CAQ | HAQ | 120.3° | 120.0° |
| CAI | CAH | CAG | 120.0° | 120.2° |
| CAH | CAI | HAI | 120.0° | 119.9° |
| CAI | CAH | HAH | 120.0° | 119.9° |
| CAK | CAL | CAG | 119.5° | 119.7° |
| CAK | CAL | HAL | 120.3° | 120.1° |
| CAH | CAG | CAL | 120.2° | 119.9° |
| CAH | CAG | CAE | 118.7° | 120.0° |
| CAG | CAH | HAH | 120.0° | 119.9° |
| CAL | CAG | CAE | 121.1° | 120.1° |
| CAG | CAL | HAL | 120.2° | 120.1° |
| CAG | CAE | CAF | 117.7° | 120.1° |
| CAG | CAE | CAD | 121.5° | 120.2° |
| CAE | CAF | CAA | 120.1° | 119.9° |
| CAF | CAE | CAD | 120.8° | 119.7° |
| CAE | CAF | HAF | 119.9° | 120.0° |
| CAF | CAA | CAB | 119.0° | 120.1° |
| CAF | CAA | HAA | 120.5° | 120.0° |
| CAA | CAF | HAF | 119.9° | 120.1° |
| CAE | CAD | CAC | 119.5° | 119.9° |
| CAE | CAD | HAD | 120.3° | 120.0° |
| CAA | CAB | CAC | 121.1° | 120.3° |
| CAA | CAB | SAM | 118.8° | 119.9° |
| CAB | CAA | HAA | 120.5° | 119.9° |
| CAD | CAC | CAB | 119.4° | 120.1° |
| CAC | CAD | HAD | 120.2° | 120.1° |
| CAD | CAC | HAC | 120.3° | 119.9° |
| CAC | CAB | SAM | 120.0° | 119.8° |
| CAB | CAC | HAC | 120.3° | 120.0° |
| CAB | SAM | NAP | 110.3° | 107.2° |
| CAB | SAM | OAN | 108.4° | 106.4° |
| CAB | SAM | OAO | 108.8° | 106.4° |
| NAP | SAM | OAN | 112.8° | 106.4° |
| NAP | SAM | OAO | 110.9° | 106.4° |
| SAM | NAP | HAP | 109.5° | 120.0° |
| SAM | NAP | HAR | 109.5° | 120.0° |
| OAN | SAM | OAO | 105.4° | 123.1° |
| HAP | NAP | HAR | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAJ | CAK | HAJ | 180.0° | 179.9° |
| CAI | CAJ | CAK | CAQ | 179.9° | 180.0° |
| CAJ | CAI | CAH | HAI | 180.0° | 179.9° |
| CAI | CAJ | CAK | CAL | 0.2° | 0.3° |
| CAJ | CAI | CAH | CAG | 0.6° | 0.2° |
| CAJ | CAI | CAH | HAH | 179.4° | 179.9° |
| CAJ | CAK | CAQ | CAL | 179.9° | 179.7° |
| CAJ | CAK | CAQ | OAR | 163.8° | 0.3° |
| CAK | CAJ | CAI | CAH | 0.3° | 0.1° |
| CAJ | CAK | CAL | CAG | 0.4° | 0.3° |
| CAJ | CAK | CAQ | HAQ | 16.3° | 179.9° |
| CAJ | CAK | CAL | HAL | 179.5° | 179.7° |
| CAK | CAJ | CAI | HAI | 179.8° | 180.0° |
| CAK | CAQ | OAR | HAQ | 180.0° | 179.8° |
| CAQ | CAK | CAL | CAG | 179.7° | 180.0° |
| CAQ | CAK | CAL | HAL | 0.4° | 0.0° |
| CAQ | CAK | CAJ | HAJ | 0.1° | 0.1° |
| OAR | CAQ | CAK | CAL | 16.4° | 180.0° |
| CAI | CAH | CAG | HAH | 180.0° | 179.7° |
| CAI | CAH | CAG | CAL | 0.8° | 0.2° |
| CAI | CAH | CAG | CAE | 179.2° | 179.7° |
| CAH | CAI | CAJ | HAJ | 179.8° | 180.0° |
| CAK | CAL | CAG | CAH | 0.7° | 0.0° |
| CAK | CAL | CAG | HAL | 180.0° | 180.0° |
| CAK | CAL | CAG | CAE | 179.1° | 180.0° |
| CAL | CAK | CAQ | HAQ | 163.6° | 0.3° |
| CAL | CAK | CAJ | HAJ | 179.8° | 179.8° |
| CAH | CAG | CAL | CAE | 178.3° | 179.9° |
| CAH | CAG | CAE | CAF | 29.8° | 179.8° |
| CAH | CAG | CAE | CAD | 151.4° | 0.1° |
| CAH | CAG | CAL | HAL | 179.3° | 180.0° |
| CAG | CAH | CAI | HAI | 179.5° | 179.7° |
| CAL | CAG | CAE | CAF | 148.6° | 0.3° |
| CAL | CAG | CAE | CAD | 30.2° | 180.0° |
| CAL | CAG | CAH | HAH | 179.2° | 180.0° |
| CAG | CAE | CAF | CAD | 178.8° | 179.7° |
| CAG | CAE | CAF | CAA | 179.3° | 179.8° |
| CAG | CAE | CAD | CAC | 179.1° | 179.9° |
| CAE | CAG | CAL | HAL | 0.9° | 0.1° |
| CAE | CAG | CAH | HAH | 0.8° | 0.0° |
| CAG | CAE | CAD | HAD | 0.9° | 0.1° |
| CAG | CAE | CAF | HAF | 0.7° | 0.0° |
| CAE | CAF | CAA | HAF | 180.0° | 179.8° |
| CAE | CAF | CAA | CAB | 0.4° | 0.5° |
| CAF | CAE | CAD | CAC | 0.3° | 0.2° |
| CAF | CAE | CAD | HAD | 179.7° | 179.7° |
| CAE | CAF | CAA | HAA | 179.6° | 179.7° |
| CAA | CAF | CAE | CAD | 0.5° | 0.5° |
| CAF | CAA | CAB | HAA | 180.0° | 179.8° |
| CAF | CAA | CAB | CAC | 0.3° | 0.2° |
| CAF | CAA | CAB | SAM | 179.6° | 179.7° |
| CAE | CAD | CAC | HAD | 180.0° | 180.0° |
| CAE | CAD | CAC | CAB | 0.2° | 0.0° |
| CAE | CAD | CAC | HAC | 179.8° | 180.0° |
| CAD | CAE | CAF | HAF | 179.5° | 179.7° |
| CAA | CAB | CAC | CAD | 0.1° | 0.1° |
| CAA | CAB | CAC | SAM | 179.8° | 180.0° |
| CAA | CAB | SAM | NAP | 12.9° | 90.0° |
| CAA | CAB | SAM | OAN | 136.9° | 23.6° |
| CAA | CAB | SAM | OAO | 108.9° | 156.4° |
| CAA | CAB | CAC | HAC | 179.8° | 180.0° |
| CAB | CAA | CAF | HAF | 179.6° | 179.7° |
| CAD | CAC | CAB | HAC | 180.0° | 179.9° |
| CAD | CAC | CAB | SAM | 179.7° | 180.0° |
| CAC | CAB | SAM | NAP | 166.9° | 90.0° |
| CAC | CAB | SAM | OAN | 42.9° | 156.5° |
| CAC | CAB | SAM | OAO | 71.3° | 23.6° |
| CAB | CAC | CAD | HAD | 179.8° | 180.0° |
| CAC | CAB | CAA | HAA | 179.7° | 180.0° |
| CAB | SAM | NAP | OAN | 121.4° | 113.6° |
| CAB | SAM | NAP | OAO | 120.6° | 113.6° |
| CAB | SAM | OAN | OAO | 116.4° | 122.9° |
| SAM | CAB | CAC | HAC | 0.3° | 0.1° |
| CAB | SAM | NAP | HAP | 180.0° | 150.0° |
| CAB | SAM | NAP | HAR | 60.0° | 29.9° |
| SAM | CAB | CAA | HAA | 0.5° | 0.0° |
| NAP | SAM | OAN | OAO | 121.1° | 122.9° |
| SAM | NAP | HAP | HAR | 120.0° | 179.9° |
| OAN | SAM | NAP | HAP | 58.6° | 36.4° |
| OAN | SAM | NAP | HAR | 178.6° | 143.5° |
| OAO | SAM | NAP | HAP | 59.4° | 96.5° |
| OAO | SAM | NAP | HAR | 60.7° | 83.6° |
| HAJ | CAJ | CAI | HAI | 0.2° | 0.1° |
| HAI | CAI | CAH | HAH | 0.5° | 0.0° |
| HAD | CAD | CAC | HAC | 0.2° | 0.1° |
| HAA | CAA | CAF | HAF | 0.4° | 0.1° |
