IW4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | NAA | sing | 1.40Å | 1.33Å | |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å | |
| NAB | CAP | sing | 1.40Å | 1.34Å | |
| NAB | HNAC | sing | 0.97Å | 1.00Å | |
| NAB | HNAD | sing | 0.97Å | 1.00Å | |
| BRAC | CAN | sing | 1.89Å | 1.88Å | |
| BRAD | CAO | sing | 1.89Å | 1.89Å | |
| CAF | CAE | doub | 1.34Å | 1.41Å | |
| CAE | CAQ | sing | 1.47Å | 1.41Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAR | CAF | sing | 1.47Å | 1.40Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAI | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAM | CAH | doub | 1.39Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAQ | CAI | sing | 1.40Å | 1.40Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAQ | CAJ | doub | 1.40Å | 1.40Å | Aromatic |
| CAJ | CAM | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAN | CAK | doub | 1.38Å | 1.38Å | Aromatic |
| CAK | CAR | sing | 1.40Å | 1.38Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAO | CAL | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | CAR | doub | 1.40Å | 1.39Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAP | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAP | CAO | doub | 1.39Å | 1.39Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAM | NAA | HNAA | 109.5° | 120.0° |
| CAM | NAA | HNAB | 109.5° | 119.9° |
| NAA | CAM | CAH | 119.7° | 120.1° |
| NAA | CAM | CAJ | 120.0° | 120.0° |
| HNAA | NAA | HNAB | 109.4° | 120.1° |
| CAP | NAB | HNAC | 109.5° | 120.0° |
| CAP | NAB | HNAD | 109.4° | 120.0° |
| NAB | CAP | CAN | 119.8° | 119.9° |
| NAB | CAP | CAO | 120.8° | 119.9° |
| HNAC | NAB | HNAD | 109.4° | 120.0° |
| BRAC | CAN | CAK | 119.0° | 119.9° |
| BRAC | CAN | CAP | 121.4° | 120.0° |
| BRAD | CAO | CAL | 121.5° | 120.0° |
| BRAD | CAO | CAP | 118.8° | 119.9° |
| CAF | CAE | CAQ | 123.3° | 120.0° |
| CAF | CAE | HAE | 118.4° | 120.0° |
| CAE | CAF | CAR | 122.0° | 120.0° |
| CAE | CAF | HAF | 119.0° | 120.0° |
| CAQ | CAE | HAE | 118.4° | 119.9° |
| CAE | CAQ | CAI | 120.1° | 120.1° |
| CAE | CAQ | CAJ | 121.7° | 120.2° |
| CAR | CAF | HAF | 119.0° | 120.0° |
| CAF | CAR | CAK | 119.0° | 120.1° |
| CAF | CAR | CAL | 123.7° | 120.1° |
| CAI | CAG | CAH | 119.8° | 120.3° |
| CAI | CAG | HAG | 120.1° | 119.9° |
| CAG | CAI | CAQ | 121.2° | 120.0° |
| CAG | CAI | HAI | 119.4° | 120.0° |
| CAH | CAG | HAG | 120.1° | 119.9° |
| CAG | CAH | CAM | 119.6° | 120.3° |
| CAG | CAH | HAH | 120.2° | 119.9° |
| CAM | CAH | HAH | 120.2° | 119.8° |
| CAH | CAM | CAJ | 120.3° | 120.0° |
| CAQ | CAI | HAI | 119.4° | 120.0° |
| CAI | CAQ | CAJ | 118.3° | 119.8° |
| CAQ | CAJ | CAM | 120.8° | 119.8° |
| CAQ | CAJ | HAJ | 119.6° | 120.1° |
| CAM | CAJ | HAJ | 119.6° | 120.1° |
| CAN | CAK | CAR | 122.8° | 119.9° |
| CAN | CAK | HAK | 118.6° | 120.1° |
| CAK | CAN | CAP | 119.6° | 120.1° |
| CAR | CAK | HAK | 118.6° | 120.0° |
| CAK | CAR | CAL | 117.3° | 119.8° |
| CAO | CAL | CAR | 121.2° | 119.9° |
| CAO | CAL | HAL | 119.4° | 120.0° |
| CAL | CAO | CAP | 119.7° | 120.1° |
| CAR | CAL | HAL | 119.4° | 120.1° |
| CAN | CAP | CAO | 119.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAM | NAA | HNAA | HNAB | 120.0° | 179.7° |
| NAA | CAM | CAH | CAG | 179.6° | 179.5° |
| NAA | CAM | CAH | CAJ | 179.2° | 179.5° |
| NAA | CAM | CAH | HAH | 0.4° | 0.5° |
| NAA | CAM | CAJ | CAQ | 180.0° | 180.0° |
| NAA | CAM | CAJ | HAJ | 0.1° | 0.1° |
| HNAA | NAA | CAM | CAH | 180.0° | 179.4° |
| HNAA | NAA | CAM | CAJ | 0.8° | 0.1° |
| HNAB | NAA | CAM | CAH | 60.0° | 0.3° |
| HNAB | NAA | CAM | CAJ | 120.7° | 179.7° |
| CAP | NAB | HNAC | HNAD | 120.0° | 180.0° |
| NAB | CAP | CAN | BRAC | 0.9° | 0.0° |
| NAB | CAP | CAO | BRAD | 0.8° | 0.2° |
| NAB | CAP | CAN | CAK | 179.3° | 180.0° |
| NAB | CAP | CAO | CAL | 179.5° | 179.7° |
| NAB | CAP | CAN | CAO | 179.8° | 180.0° |
| HNAC | NAB | CAP | CAN | 180.0° | 0.0° |
| HNAC | NAB | CAP | CAO | 0.1° | 180.0° |
| HNAD | NAB | CAP | CAN | 60.0° | 179.9° |
| HNAD | NAB | CAP | CAO | 119.8° | 0.0° |
| BRAC | CAN | CAK | CAP | 178.4° | 180.0° |
| BRAC | CAN | CAK | CAR | 179.2° | 180.0° |
| BRAC | CAN | CAK | HAK | 0.8° | 0.3° |
| BRAC | CAN | CAP | CAO | 179.2° | 180.0° |
| BRAD | CAO | CAL | CAP | 179.7° | 179.5° |
| BRAD | CAO | CAL | CAR | 179.3° | 180.0° |
| BRAD | CAO | CAL | HAL | 0.7° | 0.6° |
| BRAD | CAO | CAP | CAN | 179.0° | 179.7° |
| CAF | CAE | CAQ | HAE | 180.0° | 179.9° |
| CAE | CAF | CAR | HAF | 180.0° | 180.0° |
| CAF | CAE | CAQ | CAI | 166.5° | 0.0° |
| CAF | CAE | CAQ | CAJ | 13.6° | 179.5° |
| CAE | CAF | CAR | CAK | 35.1° | 180.0° |
| CAE | CAF | CAR | CAL | 144.3° | 0.0° |
| CAQ | CAE | CAF | CAR | 178.7° | 180.0° |
| CAQ | CAE | CAF | HAF | 1.3° | 0.0° |
| CAE | CAQ | CAI | CAG | 179.5° | 180.0° |
| CAE | CAQ | CAI | CAJ | 179.9° | 179.4° |
| CAE | CAQ | CAI | HAI | 0.6° | 0.0° |
| CAE | CAQ | CAJ | CAM | 179.7° | 179.8° |
| CAE | CAQ | CAJ | HAJ | 0.3° | 0.3° |
| HAE | CAE | CAF | CAR | 1.3° | 0.1° |
| HAE | CAE | CAF | HAF | 178.7° | 179.9° |
| HAE | CAE | CAQ | CAI | 13.5° | 180.0° |
| HAE | CAE | CAQ | CAJ | 166.4° | 0.6° |
| CAF | CAR | CAK | CAN | 179.0° | 179.7° |
| CAF | CAR | CAK | CAL | 179.4° | 180.0° |
| CAF | CAR | CAK | HAK | 1.0° | 0.0° |
| CAF | CAR | CAL | CAO | 179.2° | 179.4° |
| CAF | CAR | CAL | HAL | 0.8° | 0.0° |
| HAF | CAF | CAR | CAK | 144.9° | 0.0° |
| HAF | CAF | CAR | CAL | 35.7° | 180.0° |
| CAI | CAG | CAH | HAG | 180.0° | 179.8° |
| CAI | CAG | CAH | CAM | 0.4° | 0.2° |
| CAI | CAG | CAH | HAH | 179.5° | 179.8° |
| CAG | CAI | CAQ | HAI | 180.0° | 180.0° |
| CAG | CAI | CAQ | CAJ | 0.6° | 0.6° |
| CAG | CAH | CAM | HAH | 180.0° | 180.0° |
| CAH | CAG | CAI | CAQ | 1.0° | 0.0° |
| CAH | CAG | CAI | HAI | 179.0° | 180.0° |
| CAG | CAH | CAM | CAJ | 0.4° | 0.0° |
| HAG | CAG | CAH | CAM | 179.5° | 180.0° |
| HAG | CAG | CAH | HAH | 0.5° | 0.0° |
| HAG | CAG | CAI | CAQ | 179.0° | 179.7° |
| HAG | CAG | CAI | HAI | 1.0° | 0.2° |
| CAH | CAM | CAJ | CAQ | 0.7° | 0.5° |
| CAH | CAM | CAJ | HAJ | 179.3° | 179.4° |
| HAH | CAH | CAM | CAJ | 179.6° | 180.0° |
| CAI | CAQ | CAJ | CAM | 0.2° | 0.8° |
| CAI | CAQ | CAJ | HAJ | 179.8° | 179.1° |
| HAI | CAI | CAQ | CAJ | 179.3° | 179.5° |
| CAQ | CAJ | CAM | HAJ | 180.0° | 179.9° |
| CAN | CAK | CAR | HAK | 180.0° | 179.7° |
| CAN | CAK | CAR | CAL | 0.4° | 0.3° |
| CAK | CAN | CAP | CAO | 0.9° | 0.0° |
| CAK | CAR | CAL | CAO | 0.2° | 0.6° |
| CAK | CAR | CAL | HAL | 179.8° | 180.0° |
| CAR | CAK | CAN | CAP | 0.8° | 0.0° |
| HAK | CAK | CAR | CAL | 179.6° | 180.0° |
| HAK | CAK | CAN | CAP | 179.2° | 179.7° |
| CAO | CAL | CAR | HAL | 180.0° | 179.4° |
| CAL | CAO | CAP | CAN | 0.7° | 0.2° |
| CAR | CAL | CAO | CAP | 0.3° | 0.6° |
| HAL | CAL | CAO | CAP | 179.6° | 180.0° |
