AGI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAG | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAP | sing | 1.40Å | 1.40Å | Aromatic |
| CAE | CAM | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | OAB | sing | 1.36Å | 1.35Å | |
| CAM | CAF | doub | 1.39Å | 1.40Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAP | doub | 1.40Å | 1.40Å | Aromatic |
| CAP | CAQ | sing | 1.47Å | 1.39Å | |
| CAQ | OAL | sing | 1.34Å | 1.38Å | |
| CAQ | CAJ | doub | 1.36Å | 1.40Å | |
| OAL | CAS | sing | 1.35Å | 1.38Å | |
| CAJ | CAR | sing | 1.41Å | 1.39Å | |
| CAR | OAA | doub | 1.22Å | 1.23Å | |
| CAR | CAT | sing | 1.47Å | 1.40Å | |
| CAT | CAS | doub | 1.40Å | 1.40Å | Aromatic |
| CAT | CAO | sing | 1.40Å | 1.39Å | Aromatic |
| CAS | CAK | sing | 1.39Å | 1.40Å | Aromatic |
| CAK | CAN | doub | 1.39Å | 1.40Å | Aromatic |
| CAN | OAC | sing | 1.36Å | 1.37Å | |
| CAN | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | CAO | doub | 1.38Å | 1.40Å | Aromatic |
| CAO | OAD | sing | 1.36Å | 1.35Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAG | CAP | 120.7° | 119.9° |
| CAG | CAE | CAM | 118.7° | 120.1° |
| CAE | CAG | HAG | 119.6° | 120.1° |
| CAG | CAE | HAE | 120.6° | 120.0° |
| CAG | CAP | CAH | 120.5° | 119.8° |
| CAG | CAP | CAQ | 114.8° | 120.1° |
| CAP | CAG | HAG | 119.6° | 120.0° |
| CAE | CAM | OAB | 117.6° | 119.9° |
| CAE | CAM | CAF | 121.3° | 120.2° |
| CAM | CAE | HAE | 120.6° | 119.9° |
| OAB | CAM | CAF | 121.0° | 119.9° |
| CAM | OAB | HOAB | 109.5° | 114.0° |
| CAM | CAF | CAH | 119.8° | 120.1° |
| CAM | CAF | HAF | 120.1° | 119.9° |
| CAF | CAH | CAP | 118.9° | 119.9° |
| CAH | CAF | HAF | 120.1° | 120.0° |
| CAF | CAH | HAH | 120.6° | 120.1° |
| CAH | CAP | CAQ | 124.6° | 120.1° |
| CAP | CAH | HAH | 120.5° | 120.0° |
| CAP | CAQ | OAL | 119.7° | 118.8° |
| CAP | CAQ | CAJ | 117.5° | 118.7° |
| OAL | CAQ | CAJ | 122.7° | 122.5° |
| CAQ | OAL | CAS | 117.2° | 122.3° |
| CAQ | CAJ | CAR | 119.4° | 119.6° |
| CAQ | CAJ | HAJ | 120.3° | 120.2° |
| OAL | CAS | CAT | 121.5° | 119.8° |
| OAL | CAS | CAK | 119.2° | 120.8° |
| CAJ | CAR | OAA | 119.4° | 121.3° |
| CAJ | CAR | CAT | 118.7° | 117.4° |
| CAR | CAJ | HAJ | 120.3° | 120.2° |
| OAA | CAR | CAT | 121.8° | 121.3° |
| CAR | CAT | CAS | 120.2° | 118.5° |
| CAR | CAT | CAO | 120.1° | 121.2° |
| CAS | CAT | CAO | 119.4° | 120.3° |
| CAT | CAS | CAK | 119.3° | 119.4° |
| CAT | CAO | CAI | 121.4° | 119.5° |
| CAT | CAO | OAD | 118.7° | 120.3° |
| CAS | CAK | CAN | 120.7° | 120.0° |
| CAS | CAK | HAK | 119.7° | 120.0° |
| CAK | CAN | OAC | 120.2° | 119.7° |
| CAK | CAN | CAI | 120.0° | 120.6° |
| CAN | CAK | HAK | 119.6° | 120.0° |
| OAC | CAN | CAI | 119.8° | 119.7° |
| CAN | OAC | HOAC | 109.5° | 114.0° |
| CAN | CAI | CAO | 119.1° | 120.2° |
| CAN | CAI | HAI | 120.4° | 119.9° |
| CAI | CAO | OAD | 119.9° | 120.2° |
| CAO | CAI | HAI | 120.4° | 120.0° |
| CAO | OAD | HOAD | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAG | CAP | HAG | 180.0° | 179.6° |
| CAG | CAE | CAM | HAE | 180.0° | 179.9° |
| CAG | CAE | CAM | OAB | 179.7° | 179.9° |
| CAG | CAE | CAM | CAF | 0.5° | 0.0° |
| CAE | CAG | CAP | CAH | 2.7° | 0.1° |
| CAE | CAG | CAP | CAQ | 178.1° | 180.0° |
| CAP | CAG | CAE | CAM | 1.6° | 0.1° |
| CAG | CAP | CAH | CAF | 2.5° | 0.0° |
| CAG | CAP | CAH | CAQ | 174.9° | 179.9° |
| CAG | CAP | CAQ | OAL | 45.6° | 0.0° |
| CAG | CAP | CAQ | CAJ | 129.9° | 179.7° |
| CAP | CAG | CAE | HAE | 178.4° | 180.0° |
| CAG | CAP | CAH | HAH | 177.5° | 179.9° |
| CAE | CAM | OAB | CAF | 179.8° | 180.0° |
| CAE | CAM | CAF | CAH | 0.3° | 0.0° |
| CAM | CAE | CAG | HAG | 178.4° | 179.7° |
| CAE | CAM | OAB | HOAB | 88.8° | 90.0° |
| CAE | CAM | CAF | HAF | 179.7° | 180.0° |
| OAB | CAM | CAF | CAH | 179.9° | 180.0° |
| OAB | CAM | CAE | HAE | 0.2° | 0.0° |
| OAB | CAM | CAF | HAF | 0.1° | 0.0° |
| CAM | CAF | CAH | HAF | 180.0° | 180.0° |
| CAM | CAF | CAH | CAP | 1.3° | 0.0° |
| CAF | CAM | CAE | HAE | 179.6° | 180.0° |
| CAF | CAM | OAB | HOAB | 91.0° | 90.0° |
| CAM | CAF | CAH | HAH | 178.6° | 180.0° |
| CAF | CAH | CAP | HAH | 180.0° | 180.0° |
| CAF | CAH | CAP | CAQ | 177.5° | 180.0° |
| CAH | CAP | CAQ | OAL | 139.2° | 180.0° |
| CAH | CAP | CAQ | CAJ | 45.3° | 0.2° |
| CAH | CAP | CAG | HAG | 177.3° | 179.7° |
| CAP | CAH | CAF | HAF | 178.6° | 180.0° |
| CAP | CAQ | OAL | CAJ | 175.3° | 179.7° |
| CAP | CAQ | OAL | CAS | 172.8° | 180.0° |
| CAP | CAQ | CAJ | CAR | 177.1° | 180.0° |
| CAQ | CAP | CAG | HAG | 1.9° | 0.3° |
| CAQ | CAP | CAH | HAH | 2.5° | 0.0° |
| CAP | CAQ | CAJ | HAJ | 2.8° | 0.1° |
| OAL | CAQ | CAJ | CAR | 1.8° | 0.3° |
| CAQ | OAL | CAS | CAT | 4.7° | 0.1° |
| CAQ | OAL | CAS | CAK | 175.8° | 180.0° |
| OAL | CAQ | CAJ | HAJ | 178.2° | 179.7° |
| CAJ | CAQ | OAL | CAS | 2.5° | 0.3° |
| CAQ | CAJ | CAR | HAJ | 180.0° | 179.9° |
| CAQ | CAJ | CAR | OAA | 179.1° | 180.0° |
| CAQ | CAJ | CAR | CAT | 3.7° | 0.0° |
| OAL | CAS | CAT | CAR | 2.9° | 0.2° |
| OAL | CAS | CAT | CAK | 179.5° | 180.0° |
| OAL | CAS | CAT | CAO | 177.2° | 180.0° |
| OAL | CAS | CAK | CAN | 179.1° | 180.0° |
| OAL | CAS | CAK | HAK | 1.0° | 0.1° |
| CAJ | CAR | OAA | CAT | 177.1° | 179.9° |
| CAJ | CAR | CAT | CAS | 1.5° | 0.3° |
| CAJ | CAR | CAT | CAO | 172.8° | 180.0° |
| OAA | CAR | CAT | CAS | 178.6° | 179.8° |
| OAA | CAR | CAT | CAO | 4.3° | 0.0° |
| OAA | CAR | CAJ | HAJ | 0.9° | 0.1° |
| CAR | CAT | CAS | CAO | 174.4° | 179.8° |
| CAR | CAT | CAS | CAK | 177.6° | 179.8° |
| CAR | CAT | CAO | CAI | 178.2° | 179.7° |
| CAR | CAT | CAO | OAD | 3.2° | 0.0° |
| CAT | CAR | CAJ | HAJ | 176.3° | 179.9° |
| CAT | CAS | CAK | CAN | 1.4° | 0.0° |
| CAS | CAT | CAO | CAI | 3.8° | 0.1° |
| CAS | CAT | CAO | OAD | 177.5° | 179.7° |
| CAT | CAS | CAK | HAK | 178.6° | 180.0° |
| CAO | CAT | CAS | CAK | 3.3° | 0.0° |
| CAT | CAO | CAI | CAN | 2.3° | 0.1° |
| CAT | CAO | CAI | OAD | 178.7° | 179.7° |
| CAT | CAO | CAI | HAI | 177.6° | 180.0° |
| CAT | CAO | OAD | HOAD | 44.6° | 90.0° |
| CAS | CAK | CAN | HAK | 180.0° | 179.9° |
| CAS | CAK | CAN | OAC | 180.0° | 180.0° |
| CAS | CAK | CAN | CAI | 0.0° | 0.1° |
| CAK | CAN | OAC | CAI | 179.9° | 179.9° |
| CAK | CAN | CAI | CAO | 0.4° | 0.1° |
| CAK | CAN | OAC | HOAC | 109.4° | 90.0° |
| CAK | CAN | CAI | HAI | 179.6° | 180.0° |
| OAC | CAN | CAI | CAO | 179.5° | 179.9° |
| OAC | CAN | CAK | HAK | 0.1° | 0.1° |
| OAC | CAN | CAI | HAI | 0.5° | 0.1° |
| CAN | CAI | CAO | HAI | 180.0° | 179.9° |
| CAN | CAI | CAO | OAD | 179.0° | 179.8° |
| CAI | CAN | CAK | HAK | 180.0° | 180.0° |
| CAI | CAN | OAC | HOAC | 70.5° | 89.9° |
| CAI | CAO | OAD | HOAD | 136.7° | 90.4° |
| OAD | CAO | CAI | HAI | 1.0° | 0.3° |
| HAG | CAG | CAE | HAE | 1.6° | 0.4° |
| HAF | CAF | CAH | HAH | 1.4° | 0.0° |
