WI2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAL | CAJ | sing | 1.53Å | 1.53Å | |
| CAL | NAX | sing | 1.47Å | 1.50Å | |
| CAJ | CAW | sing | 1.53Å | 1.51Å | |
| CAW | CAQ | sing | 1.51Å | 1.51Å | |
| CAW | CAK | sing | 1.53Å | 1.53Å | |
| CAQ | OAD | doub | 1.21Å | 1.23Å | |
| CAQ | OAC | sing | 1.34Å | 1.35Å | |
| CAK | CAM | sing | 1.53Å | 1.54Å | |
| CAM | NAX | sing | 1.47Å | 1.50Å | |
| NAX | CAV | sing | 1.39Å | 1.42Å | |
| CAV | NAO | doub | 1.32Å | 1.36Å | Aromatic |
| CAV | CAR | sing | 1.40Å | 1.43Å | Aromatic |
| NAO | CAU | sing | 1.33Å | 1.36Å | Aromatic |
| CAR | NAB | sing | 1.39Å | 1.38Å | |
| CAR | NAN | doub | 1.32Å | 1.37Å | Aromatic |
| NAN | CAH | sing | 1.32Å | 1.34Å | Aromatic |
| CAH | CAU | doub | 1.39Å | 1.41Å | Aromatic |
| CAU | CAT | sing | 1.48Å | 1.49Å | Aromatic |
| CAT | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAT | CAG | doub | 1.39Å | 1.41Å | Aromatic |
| CAI | CAS | doub | 1.38Å | 1.41Å | Aromatic |
| CAG | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAS | sing | 1.39Å | 1.40Å | Aromatic |
| CAS | OAP | sing | 1.36Å | 1.37Å | |
| OAP | CAA | sing | 1.43Å | 1.42Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| NAB | HAB1 | sing | 0.97Å | 1.00Å | |
| NAB | HAB2 | sing | 0.97Å | 1.00Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAJ | CAL | NAX | 113.3° | 109.5° |
| CAL | CAJ | CAW | 110.8° | 109.3° |
| CAJ | CAL | HAL1 | 108.2° | 109.5° |
| CAJ | CAL | HAL2 | 107.4° | 109.4° |
| CAL | CAJ | HAJ1 | 109.0° | 109.5° |
| CAL | CAJ | HAJ2 | 108.8° | 109.5° |
| CAL | NAX | CAM | 112.5° | 111.2° |
| CAL | NAX | CAV | 119.6° | 111.0° |
| NAX | CAL | HAL1 | 108.2° | 109.5° |
| NAX | CAL | HAL2 | 107.3° | 109.5° |
| CAJ | CAW | CAQ | 109.3° | 109.5° |
| CAJ | CAW | CAK | 106.6° | 109.2° |
| CAW | CAJ | HAJ1 | 109.0° | 109.5° |
| CAW | CAJ | HAJ2 | 108.7° | 109.5° |
| CAJ | CAW | HAW | 112.8° | 109.5° |
| CAQ | CAW | CAK | 113.3° | 109.5° |
| CAW | CAQ | OAD | 127.6° | 120.0° |
| CAW | CAQ | OAC | 112.1° | 120.0° |
| CAQ | CAW | HAW | 106.1° | 109.5° |
| CAW | CAK | CAM | 115.2° | 109.3° |
| CAK | CAW | HAW | 108.8° | 109.6° |
| CAW | CAK | HAK1 | 107.6° | 109.5° |
| CAW | CAK | HAK2 | 106.3° | 109.5° |
| OAD | CAQ | OAC | 119.2° | 119.9° |
| CAQ | OAC | HAC | 109.5° | 117.0° |
| CAK | CAM | NAX | 109.2° | 109.5° |
| CAM | CAK | HAK1 | 107.6° | 109.5° |
| CAM | CAK | HAK2 | 106.3° | 109.5° |
| CAK | CAM | HAM1 | 109.5° | 109.5° |
| CAK | CAM | HAM2 | 109.6° | 109.5° |
| CAM | NAX | CAV | 119.1° | 111.0° |
| NAX | CAM | HAM1 | 109.5° | 109.5° |
| NAX | CAM | HAM2 | 109.6° | 109.4° |
| NAX | CAV | NAO | 118.3° | 120.1° |
| NAX | CAV | CAR | 121.2° | 120.0° |
| NAO | CAV | CAR | 120.2° | 119.8° |
| CAV | NAO | CAU | 119.9° | 120.0° |
| CAV | CAR | NAB | 125.8° | 120.0° |
| CAV | CAR | NAN | 119.1° | 119.9° |
| NAO | CAU | CAH | 119.6° | 120.0° |
| NAO | CAU | CAT | 122.1° | 120.0° |
| NAB | CAR | NAN | 115.1° | 120.0° |
| CAR | NAB | HAB1 | 109.5° | 120.0° |
| CAR | NAB | HAB2 | 109.5° | 120.0° |
| CAR | NAN | CAH | 119.5° | 120.1° |
| NAN | CAH | CAU | 121.7° | 120.2° |
| NAN | CAH | HAH | 119.1° | 120.0° |
| CAH | CAU | CAT | 118.2° | 120.0° |
| CAU | CAH | HAH | 119.2° | 119.9° |
| CAU | CAT | CAI | 125.2° | 120.1° |
| CAU | CAT | CAG | 116.3° | 120.1° |
| CAI | CAT | CAG | 118.4° | 119.8° |
| CAT | CAI | CAS | 119.9° | 119.8° |
| CAT | CAI | HAI | 120.1° | 120.1° |
| CAT | CAG | CAE | 121.6° | 120.0° |
| CAT | CAG | HAG | 119.2° | 120.0° |
| CAI | CAS | CAF | 122.0° | 120.0° |
| CAI | CAS | OAP | 115.6° | 120.0° |
| CAS | CAI | HAI | 120.1° | 120.1° |
| CAG | CAE | CAF | 120.1° | 120.2° |
| CAE | CAG | HAG | 119.2° | 120.0° |
| CAG | CAE | HAE | 119.9° | 119.9° |
| CAE | CAF | CAS | 118.0° | 120.2° |
| CAF | CAE | HAE | 120.0° | 119.9° |
| CAE | CAF | HAF | 121.0° | 119.9° |
| CAF | CAS | OAP | 122.3° | 120.0° |
| CAS | CAF | HAF | 121.0° | 119.9° |
| CAS | OAP | CAA | 118.1° | 117.0° |
| OAP | CAA | HAA1 | 109.5° | 109.4° |
| OAP | CAA | HAA2 | 109.5° | 109.5° |
| OAP | CAA | HAA3 | 109.4° | 109.5° |
| HAL1 | CAL | HAL2 | 112.5° | 109.4° |
| HAJ1 | CAJ | HAJ2 | 110.5° | 109.5° |
| HAK1 | CAK | HAK2 | 114.1° | 109.5° |
| HAM1 | CAM | HAM2 | 109.3° | 109.4° |
| HAB1 | NAB | HAB2 | 109.5° | 119.9° |
| HAA1 | CAA | HAA2 | 109.4° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAJ | CAL | NAX | HAL1 | 120.0° | 120.1° |
| CAJ | CAL | NAX | HAL2 | 118.4° | 120.0° |
| CAL | CAJ | CAW | HAJ1 | 120.0° | 120.0° |
| CAL | CAJ | CAW | HAJ2 | 119.5° | 119.9° |
| CAL | CAJ | CAW | CAQ | 179.5° | 177.5° |
| CAL | CAJ | CAW | CAK | 56.7° | 57.6° |
| CAJ | CAL | NAX | CAM | 53.8° | 61.7° |
| CAJ | CAL | NAX | CAV | 158.9° | 174.2° |
| CAJ | CAL | HAL1 | HAL2 | 118.5° | 119.9° |
| CAL | CAJ | HAJ1 | HAJ2 | 119.5° | 120.1° |
| CAL | CAJ | CAW | HAW | 62.7° | 62.4° |
| NAX | CAL | CAJ | CAW | 57.5° | 59.1° |
| CAL | NAX | CAM | CAK | 50.4° | 61.8° |
| CAL | NAX | CAM | CAV | 147.5° | 124.1° |
| CAL | NAX | CAV | NAO | 105.4° | 62.0° |
| CAL | NAX | CAV | CAR | 68.0° | 118.2° |
| NAX | CAL | HAL1 | HAL2 | 118.4° | 120.0° |
| NAX | CAL | CAJ | HAJ1 | 177.5° | 179.1° |
| NAX | CAL | CAJ | HAJ2 | 61.9° | 60.8° |
| CAL | NAX | CAM | HAM1 | 69.6° | 58.3° |
| CAL | NAX | CAM | HAM2 | 170.4° | 178.2° |
| CAJ | CAW | CAQ | CAK | 118.8° | 119.7° |
| CAJ | CAW | CAQ | HAW | 121.9° | 120.1° |
| CAJ | CAW | CAK | HAW | 122.0° | 119.9° |
| CAJ | CAW | CAQ | OAD | 3.9° | 0.0° |
| CAJ | CAW | CAQ | OAC | 171.8° | 180.0° |
| CAJ | CAW | CAK | CAM | 58.1° | 57.6° |
| CAW | CAJ | CAL | HAL1 | 177.5° | 179.2° |
| CAW | CAJ | CAL | HAL2 | 60.8° | 60.9° |
| CAW | CAJ | HAJ1 | HAJ2 | 119.4° | 120.1° |
| CAJ | CAW | CAK | HAK1 | 178.0° | 177.6° |
| CAJ | CAW | CAK | HAK2 | 59.4° | 62.3° |
| CAQ | CAW | CAK | HAW | 117.7° | 120.1° |
| CAW | CAQ | OAD | OAC | 167.1° | 180.0° |
| CAQ | CAW | CAK | CAM | 178.4° | 177.6° |
| CAQ | CAW | CAJ | HAJ1 | 60.5° | 62.5° |
| CAQ | CAW | CAJ | HAJ2 | 60.1° | 57.7° |
| CAQ | CAW | CAK | HAK1 | 61.6° | 62.5° |
| CAQ | CAW | CAK | HAK2 | 61.0° | 57.6° |
| CAW | CAQ | OAC | HAC | 169.0° | 180.0° |
| CAK | CAW | CAQ | OAD | 114.9° | 119.7° |
| CAK | CAW | CAQ | OAC | 53.0° | 60.3° |
| CAW | CAK | CAM | HAK1 | 120.0° | 119.9° |
| CAW | CAK | CAM | HAK2 | 117.4° | 119.9° |
| CAW | CAK | CAM | NAX | 55.0° | 59.2° |
| CAK | CAW | CAJ | HAJ1 | 176.7° | 177.6° |
| CAK | CAW | CAJ | HAJ2 | 62.8° | 62.3° |
| CAW | CAK | HAK1 | HAK2 | 117.7° | 120.1° |
| CAW | CAK | CAM | HAM1 | 65.0° | 60.9° |
| CAW | CAK | CAM | HAM2 | 175.1° | 179.2° |
| OAD | CAQ | CAW | HAW | 125.9° | 120.1° |
| OAD | CAQ | OAC | HAC | 0.0° | 0.1° |
| OAC | CAQ | CAW | HAW | 66.3° | 59.9° |
| CAK | CAM | NAX | HAM1 | 120.0° | 120.0° |
| CAK | CAM | NAX | HAM2 | 120.1° | 120.0° |
| CAK | CAM | NAX | CAV | 162.2° | 174.2° |
| CAM | CAK | CAW | HAW | 63.9° | 62.3° |
| CAM | CAK | HAK1 | HAK2 | 117.6° | 120.1° |
| CAK | CAM | HAM1 | HAM2 | 120.1° | 120.0° |
| CAM | NAX | CAV | NAO | 39.7° | 62.2° |
| CAM | NAX | CAV | CAR | 146.9° | 117.6° |
| CAM | NAX | CAL | HAL1 | 173.8° | 178.2° |
| CAM | NAX | CAL | HAL2 | 64.5° | 58.3° |
| NAX | CAM | CAK | HAK1 | 175.0° | 179.1° |
| NAX | CAM | CAK | HAK2 | 62.4° | 60.8° |
| NAX | CAM | HAM1 | HAM2 | 120.1° | 119.9° |
| NAX | CAV | NAO | CAR | 173.5° | 179.8° |
| NAX | CAV | NAO | CAU | 174.7° | 180.0° |
| NAX | CAV | CAR | NAB | 7.0° | 0.0° |
| NAX | CAV | CAR | NAN | 174.6° | 180.0° |
| CAV | NAX | CAL | HAL1 | 38.9° | 54.1° |
| CAV | NAX | CAL | HAL2 | 82.8° | 65.8° |
| CAV | NAX | CAM | HAM1 | 77.8° | 65.8° |
| CAV | NAX | CAM | HAM2 | 42.1° | 54.1° |
| NAO | CAV | CAR | NAB | 179.7° | 179.8° |
| NAO | CAV | CAR | NAN | 1.3° | 0.2° |
| CAV | NAO | CAU | CAH | 0.5° | 0.1° |
| CAV | NAO | CAU | CAT | 177.8° | 180.0° |
| CAR | CAV | NAO | CAU | 1.2° | 0.3° |
| CAV | CAR | NAB | NAN | 178.5° | 180.0° |
| CAV | CAR | NAN | CAH | 0.6° | 0.1° |
| CAV | CAR | NAB | HAB1 | 7.4° | 5.4° |
| CAV | CAR | NAB | HAB2 | 112.7° | 174.5° |
| NAO | CAU | CAH | NAN | 0.2° | 0.2° |
| NAO | CAU | CAH | CAT | 178.4° | 179.9° |
| NAO | CAU | CAT | CAI | 159.0° | 175.0° |
| NAO | CAU | CAT | CAG | 20.1° | 4.7° |
| NAO | CAU | CAH | HAH | 179.8° | 179.9° |
| NAB | CAR | NAN | CAH | 179.2° | 180.0° |
| CAR | NAB | HAB1 | HAB2 | 120.0° | 180.0° |
| CAR | NAN | CAH | CAU | 0.1° | 0.3° |
| NAN | CAR | NAB | HAB1 | 171.1° | 174.6° |
| NAN | CAR | NAB | HAB2 | 68.8° | 5.4° |
| CAR | NAN | CAH | HAH | 179.9° | 180.0° |
| NAN | CAH | CAU | HAH | 180.0° | 179.7° |
| NAN | CAH | CAU | CAT | 178.6° | 179.7° |
| CAH | CAU | CAT | CAI | 19.4° | 5.0° |
| CAH | CAU | CAT | CAG | 161.6° | 175.2° |
| CAU | CAT | CAI | CAG | 179.0° | 179.7° |
| CAU | CAT | CAI | CAS | 179.8° | 179.9° |
| CAU | CAT | CAG | CAE | 179.9° | 180.0° |
| CAT | CAU | CAH | HAH | 1.4° | 0.0° |
| CAU | CAT | CAI | HAI | 0.2° | 0.1° |
| CAU | CAT | CAG | HAG | 0.1° | 0.0° |
| CAT | CAI | CAS | HAI | 180.0° | 180.0° |
| CAI | CAT | CAG | CAE | 1.0° | 0.2° |
| CAT | CAI | CAS | CAF | 0.1° | 0.1° |
| CAT | CAI | CAS | OAP | 177.6° | 179.9° |
| CAI | CAT | CAG | HAG | 179.0° | 179.8° |
| CAG | CAT | CAI | CAS | 0.8° | 0.2° |
| CAT | CAG | CAE | HAG | 180.0° | 180.0° |
| CAT | CAG | CAE | CAF | 0.5° | 0.0° |
| CAG | CAT | CAI | HAI | 179.2° | 179.8° |
| CAT | CAG | CAE | HAE | 179.5° | 180.0° |
| CAI | CAS | CAF | CAE | 0.4° | 0.3° |
| CAI | CAS | CAF | OAP | 177.6° | 179.9° |
| CAI | CAS | OAP | CAA | 157.5° | 180.0° |
| CAI | CAS | CAF | HAF | 179.6° | 180.0° |
| CAG | CAE | CAF | HAE | 180.0° | 180.0° |
| CAG | CAE | CAF | CAS | 0.2° | 0.3° |
| CAG | CAE | CAF | HAF | 179.8° | 180.0° |
| CAE | CAF | CAS | HAF | 180.0° | 179.7° |
| CAE | CAF | CAS | OAP | 177.9° | 179.8° |
| CAF | CAE | CAG | HAG | 179.5° | 180.0° |
| CAF | CAS | OAP | CAA | 24.8° | 0.1° |
| CAF | CAS | CAI | HAI | 179.9° | 179.9° |
| CAS | CAF | CAE | HAE | 179.8° | 179.7° |
| OAP | CAS | CAI | HAI | 2.4° | 0.1° |
| OAP | CAS | CAF | HAF | 2.0° | 0.1° |
| CAS | OAP | CAA | HAA1 | 127.3° | 60.0° |
| CAS | OAP | CAA | HAA2 | 7.3° | 179.9° |
| CAS | OAP | CAA | HAA3 | 112.7° | 60.0° |
| OAP | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| OAP | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| OAP | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAL1 | CAL | CAJ | HAJ1 | 62.5° | 60.8° |
| HAL1 | CAL | CAJ | HAJ2 | 58.1° | 59.3° |
| HAL2 | CAL | CAJ | HAJ1 | 59.2° | 59.1° |
| HAL2 | CAL | CAJ | HAJ2 | 179.7° | 179.2° |
| HAJ1 | CAJ | CAW | HAW | 57.3° | 57.6° |
| HAJ2 | CAJ | CAW | HAW | 177.9° | 177.7° |
| HAW | CAW | CAK | HAK1 | 56.1° | 57.7° |
| HAW | CAW | CAK | HAK2 | 178.7° | 177.7° |
| HAK1 | CAK | CAM | HAM1 | 55.0° | 59.1° |
| HAK1 | CAK | CAM | HAM2 | 64.9° | 60.9° |
| HAK2 | CAK | CAM | HAM1 | 177.6° | 179.2° |
| HAK2 | CAK | CAM | HAM2 | 57.7° | 59.2° |
| HAG | CAG | CAE | HAE | 0.5° | 0.0° |
| HAE | CAE | CAF | HAF | 0.2° | 0.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
