IW1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | OAA | sing | 1.36Å | 1.36Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| CAN | CLAB | sing | 1.74Å | 1.72Å | |
| CAO | CLAC | sing | 1.74Å | 1.72Å | |
| CAP | BRAD | sing | 1.89Å | 1.91Å | |
| CAQ | BRAE | sing | 1.89Å | 1.90Å | |
| CAG | CAF | doub | 1.34Å | 1.40Å | |
| CAF | CAR | sing | 1.47Å | 1.38Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAS | CAG | sing | 1.47Å | 1.39Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAN | doub | 1.38Å | 1.38Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAO | sing | 1.38Å | 1.38Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAR | CAK | doub | 1.40Å | 1.38Å | Aromatic |
| CAK | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAR | CAL | sing | 1.40Å | 1.37Å | Aromatic |
| CAL | CAQ | doub | 1.38Å | 1.37Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAQ | CAM | sing | 1.39Å | 1.41Å | Aromatic |
| CAP | CAM | doub | 1.39Å | 1.40Å | Aromatic |
| CAN | CAS | sing | 1.40Å | 1.40Å | Aromatic |
| CAO | CAS | doub | 1.40Å | 1.41Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAM | OAA | HOAA | 109.5° | 114.0° |
| OAA | CAM | CAQ | 122.8° | 119.9° |
| OAA | CAM | CAP | 119.6° | 119.9° |
| CLAB | CAN | CAI | 117.9° | 120.1° |
| CLAB | CAN | CAS | 121.1° | 120.1° |
| CLAC | CAO | CAJ | 117.2° | 120.1° |
| CLAC | CAO | CAS | 122.3° | 120.1° |
| BRAD | CAP | CAK | 116.0° | 119.9° |
| BRAD | CAP | CAM | 124.4° | 120.0° |
| BRAE | CAQ | CAL | 109.5° | 119.9° |
| BRAE | CAQ | CAM | 129.1° | 119.9° |
| CAG | CAF | CAR | 119.2° | 120.0° |
| CAG | CAF | HAF | 120.4° | 120.0° |
| CAF | CAG | CAS | 122.2° | 120.0° |
| CAF | CAG | HAG | 118.9° | 120.0° |
| CAR | CAF | HAF | 120.4° | 120.0° |
| CAF | CAR | CAK | 122.1° | 120.1° |
| CAF | CAR | CAL | 118.9° | 120.1° |
| CAS | CAG | HAG | 118.9° | 120.0° |
| CAG | CAS | CAN | 119.5° | 120.2° |
| CAG | CAS | CAO | 122.2° | 120.2° |
| CAJ | CAH | CAI | 119.7° | 120.3° |
| CAJ | CAH | HAH | 120.2° | 119.8° |
| CAH | CAJ | CAO | 120.4° | 120.2° |
| CAH | CAJ | HAJ | 119.8° | 119.9° |
| CAI | CAH | HAH | 120.2° | 119.8° |
| CAH | CAI | CAN | 120.1° | 120.1° |
| CAH | CAI | HAI | 119.9° | 119.9° |
| CAN | CAI | HAI | 119.9° | 120.0° |
| CAI | CAN | CAS | 121.0° | 119.8° |
| CAO | CAJ | HAJ | 119.8° | 119.9° |
| CAJ | CAO | CAS | 120.5° | 119.8° |
| CAR | CAK | CAP | 121.7° | 119.9° |
| CAR | CAK | HAK | 119.2° | 120.1° |
| CAK | CAR | CAL | 118.9° | 119.8° |
| CAP | CAK | HAK | 119.1° | 120.1° |
| CAK | CAP | CAM | 119.6° | 120.1° |
| CAR | CAL | CAQ | 120.9° | 119.9° |
| CAR | CAL | HAL | 119.5° | 120.0° |
| CAQ | CAL | HAL | 119.6° | 120.1° |
| CAL | CAQ | CAM | 121.3° | 120.2° |
| CAQ | CAM | CAP | 117.6° | 120.2° |
| CAN | CAS | CAO | 118.4° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAM | CAP | BRAD | 0.4° | 0.1° |
| OAA | CAM | CAQ | BRAE | 0.1° | 0.0° |
| OAA | CAM | CAP | CAK | 179.7° | 180.0° |
| OAA | CAM | CAQ | CAL | 179.7° | 180.0° |
| OAA | CAM | CAQ | CAP | 179.4° | 179.4° |
| HOAA | OAA | CAM | CAQ | 180.0° | 89.5° |
| HOAA | OAA | CAM | CAP | 0.6° | 89.9° |
| CLAB | CAN | CAS | CAG | 1.6° | 0.0° |
| CLAB | CAN | CAI | CAH | 179.6° | 180.0° |
| CLAB | CAN | CAI | CAS | 178.3° | 180.0° |
| CLAB | CAN | CAI | HAI | 0.4° | 0.0° |
| CLAB | CAN | CAS | CAO | 179.8° | 179.9° |
| CLAC | CAO | CAS | CAG | 0.5° | 0.0° |
| CLAC | CAO | CAJ | CAH | 179.9° | 180.0° |
| CLAC | CAO | CAJ | CAS | 179.9° | 179.9° |
| CLAC | CAO | CAJ | HAJ | 0.1° | 0.1° |
| CLAC | CAO | CAS | CAN | 179.2° | 180.0° |
| BRAD | CAP | CAK | CAR | 179.9° | 179.7° |
| BRAD | CAP | CAK | CAM | 179.3° | 179.9° |
| BRAD | CAP | CAK | HAK | 0.1° | 0.1° |
| BRAD | CAP | CAM | CAQ | 179.9° | 179.5° |
| BRAE | CAQ | CAL | CAR | 179.9° | 179.7° |
| BRAE | CAQ | CAL | CAM | 179.7° | 180.0° |
| BRAE | CAQ | CAL | HAL | 0.1° | 0.0° |
| BRAE | CAQ | CAM | CAP | 179.3° | 179.4° |
| CAG | CAF | CAR | HAF | 180.0° | 179.9° |
| CAF | CAG | CAS | HAG | 180.0° | 180.0° |
| CAG | CAF | CAR | CAK | 167.7° | 180.0° |
| CAG | CAF | CAR | CAL | 11.7° | 0.0° |
| CAF | CAG | CAS | CAN | 58.2° | 130.0° |
| CAF | CAG | CAS | CAO | 123.2° | 50.0° |
| CAR | CAF | CAG | CAS | 179.6° | 180.0° |
| CAR | CAF | CAG | HAG | 0.4° | 0.0° |
| CAF | CAR | CAK | CAL | 179.4° | 180.0° |
| CAF | CAR | CAK | CAP | 179.4° | 179.9° |
| CAF | CAR | CAK | HAK | 0.6° | 0.3° |
| CAF | CAR | CAL | CAQ | 180.0° | 180.0° |
| CAF | CAR | CAL | HAL | 0.0° | 0.3° |
| HAF | CAF | CAG | CAS | 0.3° | 0.1° |
| HAF | CAF | CAG | HAG | 179.6° | 179.9° |
| HAF | CAF | CAR | CAK | 12.2° | 0.1° |
| HAF | CAF | CAR | CAL | 168.3° | 179.9° |
| CAG | CAS | CAN | CAI | 179.8° | 180.0° |
| CAG | CAS | CAO | CAJ | 179.6° | 180.0° |
| CAG | CAS | CAN | CAO | 178.7° | 180.0° |
| HAG | CAG | CAS | CAN | 121.8° | 50.0° |
| HAG | CAG | CAS | CAO | 56.8° | 130.0° |
| CAJ | CAH | CAI | HAH | 180.0° | 179.7° |
| CAJ | CAH | CAI | CAN | 0.5° | 0.0° |
| CAJ | CAH | CAI | HAI | 179.5° | 180.0° |
| CAH | CAJ | CAO | HAJ | 180.0° | 179.9° |
| CAH | CAJ | CAO | CAS | 0.2° | 0.1° |
| CAH | CAI | CAN | HAI | 180.0° | 180.0° |
| CAI | CAH | CAJ | CAO | 0.0° | 0.0° |
| CAI | CAH | CAJ | HAJ | 180.0° | 180.0° |
| CAH | CAI | CAN | CAS | 1.3° | 0.0° |
| HAH | CAH | CAI | CAN | 179.5° | 179.7° |
| HAH | CAH | CAI | HAI | 0.5° | 0.3° |
| HAH | CAH | CAJ | CAO | 180.0° | 179.7° |
| HAH | CAH | CAJ | HAJ | 0.0° | 0.3° |
| CAI | CAN | CAS | CAO | 1.5° | 0.0° |
| HAI | CAI | CAN | CAS | 178.7° | 180.0° |
| CAJ | CAO | CAS | CAN | 1.0° | 0.1° |
| HAJ | CAJ | CAO | CAS | 179.8° | 180.0° |
| CAR | CAK | CAP | HAK | 180.0° | 179.7° |
| CAK | CAR | CAL | CAQ | 0.6° | 0.0° |
| CAK | CAR | CAL | HAL | 179.4° | 179.7° |
| CAR | CAK | CAP | CAM | 0.7° | 0.4° |
| CAP | CAK | CAR | CAL | 0.0° | 0.1° |
| CAK | CAP | CAM | CAQ | 0.9° | 0.6° |
| HAK | CAK | CAR | CAL | 180.0° | 179.7° |
| HAK | CAK | CAP | CAM | 179.3° | 180.0° |
| CAR | CAL | CAQ | HAL | 180.0° | 179.7° |
| CAR | CAL | CAQ | CAM | 0.5° | 0.3° |
| CAL | CAQ | CAM | CAP | 0.3° | 0.6° |
| HAL | CAL | CAQ | CAM | 179.5° | 180.0° |
