IY5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAN | CAO | sing | 1.38Å | 1.40Å | Aromatic |
| CAN | CAM | doub | 1.40Å | 1.39Å | Aromatic |
| CAO | CAP | doub | 1.38Å | 1.40Å | Aromatic |
| CAP | CAS | sing | 1.51Å | 1.45Å | |
| CAP | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAS | FAU | sing | 1.40Å | 1.35Å | |
| CAS | FAV | sing | 1.40Å | 1.40Å | |
| CAS | FAT | sing | 1.40Å | 1.33Å | |
| CAQ | CAR | doub | 1.38Å | 1.38Å | Aromatic |
| CAR | CAM | sing | 1.40Å | 1.42Å | Aromatic |
| CAM | CAI | sing | 1.48Å | 1.42Å | |
| CAI | NAH | doub | 1.31Å | 1.36Å | |
| CAI | NAJ | sing | 1.37Å | 1.42Å | |
| NAH | CAG | sing | 1.35Å | 1.35Å | |
| CAG | CAB | sing | 1.40Å | 1.41Å | Aromatic |
| CAG | CAF | doub | 1.41Å | 1.41Å | Aromatic |
| CAB | OAA | sing | 1.36Å | 1.35Å | |
| CAB | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAD | sing | 1.39Å | 1.39Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAK | sing | 1.47Å | 1.42Å | |
| CAK | OAL | doub | 1.22Å | 1.23Å | |
| CAK | NAJ | sing | 1.35Å | 1.38Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| NAJ | HAJ | sing | 0.97Å | 1.00Å | |
| OAA | HAA | sing | 0.97Å | 0.95Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | HAD | 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) |
| CAO | CAN | CAM | 120.5° | 119.9° |
| CAN | CAO | CAP | 122.4° | 120.1° |
| CAO | CAN | HAN | 119.7° | 120.1° |
| CAN | CAO | HAO | 118.8° | 119.9° |
| CAN | CAM | CAR | 117.1° | 119.7° |
| CAN | CAM | CAI | 121.1° | 120.1° |
| CAM | CAN | HAN | 119.7° | 120.1° |
| CAO | CAP | CAS | 122.2° | 119.8° |
| CAO | CAP | CAQ | 116.8° | 120.3° |
| CAP | CAO | HAO | 118.8° | 119.9° |
| CAS | CAP | CAQ | 121.0° | 119.9° |
| CAP | CAS | FAU | 112.4° | 109.5° |
| CAP | CAS | FAV | 112.8° | 109.5° |
| CAP | CAS | FAT | 109.4° | 109.5° |
| CAP | CAQ | CAR | 121.0° | 120.2° |
| CAP | CAQ | HAQ | 119.5° | 119.9° |
| FAU | CAS | FAV | 107.0° | 109.5° |
| FAU | CAS | FAT | 107.4° | 109.4° |
| FAV | CAS | FAT | 107.5° | 109.4° |
| CAQ | CAR | CAM | 122.0° | 119.8° |
| CAR | CAQ | HAQ | 119.5° | 119.9° |
| CAQ | CAR | HAR | 119.0° | 120.1° |
| CAR | CAM | CAI | 121.7° | 120.1° |
| CAM | CAR | HAR | 119.0° | 120.1° |
| CAM | CAI | NAH | 121.2° | 118.5° |
| CAM | CAI | NAJ | 119.8° | 118.5° |
| NAH | CAI | NAJ | 119.1° | 123.1° |
| CAI | NAH | CAG | 121.5° | 121.7° |
| CAI | NAJ | CAK | 121.1° | 120.4° |
| CAI | NAJ | HAJ | 119.5° | 119.8° |
| NAH | CAG | CAB | 120.4° | 121.5° |
| NAH | CAG | CAF | 120.9° | 119.2° |
| CAB | CAG | CAF | 118.7° | 119.3° |
| CAG | CAB | OAA | 117.3° | 120.2° |
| CAG | CAB | CAC | 122.0° | 119.6° |
| CAG | CAF | CAE | 119.2° | 120.1° |
| CAG | CAF | CAK | 119.2° | 118.2° |
| OAA | CAB | CAC | 120.7° | 120.2° |
| CAB | OAA | HAA | 109.5° | 114.0° |
| CAB | CAC | CAD | 118.4° | 120.8° |
| CAB | CAC | HAC | 120.8° | 119.6° |
| CAC | CAD | CAE | 120.4° | 120.6° |
| CAD | CAC | HAC | 120.8° | 119.6° |
| CAC | CAD | HAD | 119.8° | 119.7° |
| CAD | CAE | CAF | 121.3° | 119.7° |
| CAE | CAD | HAD | 119.8° | 119.7° |
| CAD | CAE | HAE | 119.4° | 120.1° |
| CAE | CAF | CAK | 121.5° | 121.8° |
| CAF | CAE | HAE | 119.4° | 120.2° |
| CAF | CAK | OAL | 124.2° | 121.3° |
| CAF | CAK | NAJ | 118.3° | 117.5° |
| OAL | CAK | NAJ | 117.5° | 121.2° |
| CAK | NAJ | HAJ | 119.5° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAO | CAN | CAM | HAN | 180.0° | 179.7° |
| CAN | CAO | CAP | HAO | 180.0° | 179.9° |
| CAN | CAO | CAP | CAS | 179.7° | 180.0° |
| CAN | CAO | CAP | CAQ | 0.2° | 0.0° |
| CAO | CAN | CAM | CAR | 1.9° | 0.0° |
| CAO | CAN | CAM | CAI | 178.6° | 180.0° |
| CAM | CAN | CAO | CAP | 1.1° | 0.1° |
| CAN | CAM | CAR | CAQ | 2.1° | 0.0° |
| CAN | CAM | CAR | CAI | 176.6° | 180.0° |
| CAN | CAM | CAI | NAH | 10.8° | 0.0° |
| CAN | CAM | CAI | NAJ | 170.6° | 179.8° |
| CAM | CAN | CAO | HAO | 178.9° | 180.0° |
| CAN | CAM | CAR | HAR | 177.9° | 180.0° |
| CAO | CAP | CAS | CAQ | 179.5° | 180.0° |
| CAO | CAP | CAS | FAU | 20.5° | 90.0° |
| CAO | CAP | CAS | FAV | 100.6° | 150.0° |
| CAO | CAP | CAS | FAT | 139.8° | 30.0° |
| CAO | CAP | CAQ | CAR | 0.3° | 0.0° |
| CAP | CAO | CAN | HAN | 178.9° | 179.8° |
| CAO | CAP | CAQ | HAQ | 179.7° | 180.0° |
| CAP | CAS | FAU | FAV | 124.3° | 120.0° |
| CAP | CAS | FAU | FAT | 120.4° | 120.0° |
| CAP | CAS | FAV | FAT | 120.7° | 120.0° |
| CAS | CAP | CAQ | CAR | 179.8° | 180.0° |
| CAS | CAP | CAO | HAO | 0.3° | 0.1° |
| CAS | CAP | CAQ | HAQ | 0.2° | 0.0° |
| CAQ | CAP | CAS | FAU | 160.0° | 90.0° |
| CAQ | CAP | CAS | FAV | 78.9° | 30.0° |
| CAQ | CAP | CAS | FAT | 40.7° | 150.0° |
| CAP | CAQ | CAR | HAQ | 180.0° | 180.0° |
| CAP | CAQ | CAR | CAM | 1.3° | 0.1° |
| CAQ | CAP | CAO | HAO | 179.8° | 180.0° |
| CAP | CAQ | CAR | HAR | 178.7° | 180.0° |
| FAU | CAS | FAV | FAT | 115.2° | 119.9° |
| CAQ | CAR | CAM | HAR | 180.0° | 179.9° |
| CAQ | CAR | CAM | CAI | 178.7° | 180.0° |
| CAR | CAM | CAI | NAH | 165.7° | 180.0° |
| CAR | CAM | CAI | NAJ | 12.9° | 0.2° |
| CAR | CAM | CAN | HAN | 178.0° | 179.7° |
| CAM | CAR | CAQ | HAQ | 178.7° | 180.0° |
| CAM | CAI | NAH | NAJ | 178.6° | 179.7° |
| CAM | CAI | NAH | CAG | 179.5° | 180.0° |
| CAM | CAI | NAJ | CAK | 178.5° | 179.7° |
| CAI | CAM | CAN | HAN | 1.4° | 0.3° |
| CAI | CAM | CAR | HAR | 1.3° | 0.0° |
| CAM | CAI | NAJ | HAJ | 1.5° | 0.1° |
| CAI | NAH | CAG | CAB | 179.5° | 179.9° |
| CAI | NAH | CAG | CAF | 1.9° | 0.0° |
| NAH | CAI | NAJ | CAK | 0.1° | 0.6° |
| NAH | CAI | NAJ | HAJ | 179.9° | 179.6° |
| NAJ | CAI | NAH | CAG | 0.9° | 0.3° |
| CAI | NAJ | CAK | CAF | 0.1° | 0.5° |
| CAI | NAJ | CAK | OAL | 178.7° | 179.8° |
| CAI | NAJ | CAK | HAJ | 180.0° | 179.8° |
| NAH | CAG | CAB | CAF | 178.7° | 179.9° |
| NAH | CAG | CAB | OAA | 2.2° | 0.1° |
| NAH | CAG | CAB | CAC | 178.3° | 180.0° |
| NAH | CAG | CAF | CAE | 178.4° | 179.9° |
| NAH | CAG | CAF | CAK | 1.9° | 0.0° |
| CAG | CAB | OAA | CAC | 179.5° | 179.9° |
| CAG | CAB | CAC | CAD | 0.0° | 0.1° |
| CAB | CAG | CAF | CAE | 0.2° | 0.0° |
| CAB | CAG | CAF | CAK | 179.5° | 179.9° |
| CAG | CAB | OAA | HAA | 180.0° | 90.0° |
| CAG | CAB | CAC | HAC | 180.0° | 180.0° |
| CAF | CAG | CAB | OAA | 179.1° | 180.0° |
| CAF | CAG | CAB | CAC | 0.4° | 0.1° |
| CAG | CAF | CAE | CAD | 0.3° | 0.0° |
| CAG | CAF | CAE | CAK | 179.7° | 180.0° |
| CAG | CAF | CAK | OAL | 177.6° | 179.9° |
| CAG | CAF | CAK | NAJ | 0.9° | 0.2° |
| CAG | CAF | CAE | HAE | 179.7° | 180.0° |
| OAA | CAB | CAC | CAD | 179.5° | 180.0° |
| OAA | CAB | CAC | HAC | 0.5° | 0.1° |
| CAB | CAC | CAD | HAC | 180.0° | 179.9° |
| CAB | CAC | CAD | CAE | 0.6° | 0.0° |
| CAC | CAB | OAA | HAA | 0.5° | 89.9° |
| CAB | CAC | CAD | HAD | 179.4° | 180.0° |
| CAC | CAD | CAE | HAD | 180.0° | 180.0° |
| CAC | CAD | CAE | CAF | 0.8° | 0.0° |
| CAC | CAD | CAE | HAE | 179.3° | 180.0° |
| CAD | CAE | CAF | HAE | 180.0° | 180.0° |
| CAD | CAE | CAF | CAK | 180.0° | 180.0° |
| CAE | CAD | CAC | HAC | 179.4° | 180.0° |
| CAE | CAF | CAK | OAL | 2.0° | 0.1° |
| CAE | CAF | CAK | NAJ | 179.5° | 179.8° |
| CAF | CAE | CAD | HAD | 179.2° | 180.0° |
| CAF | CAK | OAL | NAJ | 178.5° | 179.7° |
| CAF | CAK | NAJ | HAJ | 179.9° | 179.7° |
| CAK | CAF | CAE | HAE | 0.0° | 0.0° |
| OAL | CAK | NAJ | HAJ | 1.3° | 0.0° |
| HAN | CAN | CAO | HAO | 1.1° | 0.3° |
| HAQ | CAQ | CAR | HAR | 1.3° | 0.0° |
| HAC | CAC | CAD | HAD | 0.6° | 0.1° |
| HAD | CAD | CAE | HAE | 0.7° | 0.0° |
