W2L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | sing | 1.53Å | 1.46Å | |
| CAB | CAC | sing | 1.53Å | 1.55Å | |
| CAC | CAD | sing | 1.53Å | 1.50Å | |
| CAC | CAE | sing | 1.53Å | 1.54Å | |
| CAE | CAF | sing | 1.53Å | 1.52Å | |
| OAL | CAJ | doub | 1.21Å | 1.25Å | |
| CAI | CAJ | sing | 1.51Å | 1.55Å | |
| CAI | CAH | sing | 1.53Å | 1.47Å | |
| CAG | CAF | sing | 1.53Å | 1.48Å | |
| CAF | CAH | sing | 1.53Å | 1.61Å | |
| CAJ | OAK | sing | 1.34Å | 1.26Å | |
| CAA | HAB | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAC | sing | 1.09Å | 1.10Å | |
| CAB | HAD | sing | 1.09Å | 1.10Å | |
| CAB | HAE | sing | 1.09Å | 1.10Å | |
| CAC | HAF | sing | 1.09Å | 1.10Å | |
| CAD | HAI | sing | 1.09Å | 1.10Å | |
| CAD | HAH | sing | 1.09Å | 1.10Å | |
| CAD | HAG | sing | 1.09Å | 1.10Å | |
| CAE | HAJ | sing | 1.09Å | 1.10Å | |
| CAE | HAK | sing | 1.09Å | 1.10Å | |
| CAF | HAL | sing | 1.09Å | 1.10Å | |
| CAG | HAO | sing | 1.09Å | 1.10Å | |
| CAG | HAN | sing | 1.09Å | 1.10Å | |
| CAG | HAM | sing | 1.09Å | 1.10Å | |
| CAH | HAP | sing | 1.09Å | 1.10Å | |
| CAH | HAQ | sing | 1.09Å | 1.10Å | |
| CAI | HAS | sing | 1.09Å | 1.10Å | |
| CAI | HAR | sing | 1.09Å | 1.10Å | |
| OAK | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAB | CAC | 112.0° | 109.4° |
| CAB | CAA | HAB | 109.5° | 109.5° |
| CAB | CAA | HAA | 109.5° | 109.4° |
| CAB | CAA | HAC | 109.5° | 109.4° |
| CAA | CAB | HAD | 108.8° | 109.5° |
| CAA | CAB | HAE | 108.8° | 109.5° |
| CAB | CAC | CAD | 115.0° | 109.5° |
| CAB | CAC | CAE | 108.7° | 109.4° |
| CAC | CAB | HAD | 108.8° | 109.5° |
| CAC | CAB | HAE | 108.8° | 109.5° |
| CAB | CAC | HAF | 109.6° | 109.5° |
| CAD | CAC | CAE | 103.2° | 109.5° |
| CAD | CAC | HAF | 110.3° | 109.5° |
| CAC | CAD | HAI | 109.5° | 109.5° |
| CAC | CAD | HAH | 109.4° | 109.5° |
| CAC | CAD | HAG | 109.4° | 109.4° |
| CAC | CAE | CAF | 109.2° | 109.4° |
| CAE | CAC | HAF | 109.7° | 109.4° |
| CAC | CAE | HAJ | 109.6° | 109.5° |
| CAC | CAE | HAK | 109.5° | 109.4° |
| CAE | CAF | CAG | 102.4° | 109.5° |
| CAE | CAF | CAH | 111.9° | 109.5° |
| CAF | CAE | HAJ | 109.5° | 109.5° |
| CAF | CAE | HAK | 109.5° | 109.5° |
| CAE | CAF | HAL | 108.4° | 109.5° |
| OAL | CAJ | CAI | 117.0° | 120.0° |
| OAL | CAJ | OAK | 125.0° | 120.0° |
| CAJ | CAI | CAH | 102.1° | 109.5° |
| CAI | CAJ | OAK | 118.0° | 120.0° |
| CAJ | CAI | HAS | 111.3° | 109.5° |
| CAJ | CAI | HAR | 111.3° | 109.5° |
| CAI | CAH | CAF | 109.4° | 109.5° |
| CAI | CAH | HAP | 109.5° | 109.5° |
| CAI | CAH | HAQ | 109.5° | 109.4° |
| CAH | CAI | HAS | 111.3° | 109.5° |
| CAH | CAI | HAR | 111.3° | 109.4° |
| CAG | CAF | CAH | 117.5° | 109.5° |
| CAG | CAF | HAL | 108.9° | 109.5° |
| CAF | CAG | HAO | 109.5° | 109.5° |
| CAF | CAG | HAN | 109.5° | 109.5° |
| CAF | CAG | HAM | 109.5° | 109.5° |
| CAH | CAF | HAL | 107.4° | 109.4° |
| CAF | CAH | HAP | 109.5° | 109.5° |
| CAF | CAH | HAQ | 109.5° | 109.5° |
| CAJ | OAK | H1 | 109.5° | 117.0° |
| HAB | CAA | HAA | 109.4° | 109.5° |
| HAB | CAA | HAC | 109.4° | 109.5° |
| HAA | CAA | HAC | 109.5° | 109.5° |
| HAD | CAB | HAE | 109.5° | 109.4° |
| HAI | CAD | HAH | 109.5° | 109.5° |
| HAI | CAD | HAG | 109.5° | 109.4° |
| HAH | CAD | HAG | 109.5° | 109.5° |
| HAJ | CAE | HAK | 109.5° | 109.5° |
| HAO | CAG | HAN | 109.4° | 109.5° |
| HAO | CAG | HAM | 109.5° | 109.4° |
| HAN | CAG | HAM | 109.5° | 109.5° |
| HAP | CAH | HAQ | 109.5° | 109.4° |
| HAS | CAI | HAR | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAB | CAC | HAD | 120.4° | 120.0° |
| CAA | CAB | CAC | HAE | 120.4° | 120.0° |
| CAA | CAB | CAC | CAD | 51.6° | 65.0° |
| CAA | CAB | CAC | CAE | 63.6° | 175.0° |
| CAB | CAA | HAB | HAA | 120.0° | 120.0° |
| CAB | CAA | HAB | HAC | 120.0° | 120.0° |
| CAB | CAA | HAA | HAC | 120.0° | 119.9° |
| CAA | CAB | HAD | HAE | 118.8° | 120.0° |
| CAA | CAB | CAC | HAF | 176.6° | 55.1° |
| CAB | CAC | CAD | CAE | 118.2° | 120.0° |
| CAB | CAC | CAD | HAF | 124.6° | 120.0° |
| CAB | CAC | CAE | HAF | 119.8° | 119.9° |
| CAB | CAC | CAE | CAF | 126.4° | 175.0° |
| CAC | CAB | CAA | HAB | 180.0° | 60.0° |
| CAC | CAB | CAA | HAA | 60.0° | 60.0° |
| CAC | CAB | CAA | HAC | 60.0° | 180.0° |
| CAC | CAB | HAD | HAE | 118.8° | 120.0° |
| CAB | CAC | CAD | HAI | 180.0° | 60.0° |
| CAB | CAC | CAD | HAH | 60.0° | 60.0° |
| CAB | CAC | CAD | HAG | 60.0° | 180.0° |
| CAB | CAC | CAE | HAJ | 6.4° | 55.0° |
| CAB | CAC | CAE | HAK | 113.6° | 65.1° |
| CAD | CAC | CAE | HAF | 117.6° | 120.0° |
| CAD | CAC | CAE | CAF | 111.0° | 65.0° |
| CAD | CAC | CAB | HAD | 68.8° | 175.0° |
| CAD | CAC | CAB | HAE | 171.9° | 55.0° |
| CAC | CAD | HAI | HAH | 120.0° | 120.0° |
| CAC | CAD | HAI | HAG | 120.0° | 119.9° |
| CAC | CAD | HAH | HAG | 119.9° | 120.0° |
| CAD | CAC | CAE | HAJ | 129.0° | 175.0° |
| CAD | CAC | CAE | HAK | 8.9° | 55.0° |
| CAC | CAE | CAF | HAJ | 120.0° | 120.0° |
| CAC | CAE | CAF | HAK | 119.9° | 119.9° |
| CAC | CAE | CAF | CAG | 66.5° | 65.0° |
| CAC | CAE | CAF | CAH | 166.7° | 175.0° |
| CAE | CAC | CAB | HAD | 176.0° | 55.0° |
| CAE | CAC | CAB | HAE | 56.8° | 65.0° |
| CAE | CAC | CAD | HAI | 61.8° | 60.0° |
| CAE | CAC | CAD | HAH | 58.2° | 180.0° |
| CAE | CAC | CAD | HAG | 178.2° | 60.0° |
| CAC | CAE | HAJ | HAK | 120.1° | 120.0° |
| CAC | CAE | CAF | HAL | 48.5° | 55.0° |
| CAE | CAF | CAH | CAI | 65.4° | 175.0° |
| CAE | CAF | CAG | CAH | 123.1° | 120.0° |
| CAE | CAF | CAG | HAL | 114.6° | 120.0° |
| CAE | CAF | CAH | HAL | 118.8° | 120.0° |
| CAF | CAE | CAC | HAF | 6.6° | 55.0° |
| CAF | CAE | HAJ | HAK | 120.1° | 120.0° |
| CAE | CAF | CAG | HAO | 180.0° | 180.0° |
| CAE | CAF | CAG | HAN | 60.0° | 60.0° |
| CAE | CAF | CAG | HAM | 60.0° | 60.0° |
| CAE | CAF | CAH | HAP | 174.6° | 65.0° |
| CAE | CAF | CAH | HAQ | 54.5° | 55.0° |
| OAL | CAJ | CAI | OAK | 178.4° | 180.0° |
| OAL | CAJ | CAI | CAH | 147.1° | 0.0° |
| OAL | CAJ | CAI | HAS | 28.3° | 120.0° |
| OAL | CAJ | CAI | HAR | 94.0° | 120.0° |
| OAL | CAJ | OAK | H1 | 0.0° | 0.0° |
| CAJ | CAI | CAH | HAS | 118.8° | 120.0° |
| CAJ | CAI | CAH | HAR | 118.8° | 120.0° |
| CAJ | CAI | CAH | CAF | 176.8° | 180.0° |
| CAJ | CAI | CAH | HAP | 56.9° | 60.0° |
| CAJ | CAI | CAH | HAQ | 63.2° | 60.0° |
| CAJ | CAI | HAS | HAR | 123.4° | 120.0° |
| CAI | CAJ | OAK | H1 | 178.3° | 180.0° |
| CAI | CAH | CAF | CAG | 52.7° | 65.0° |
| CAI | CAH | CAF | HAP | 119.9° | 120.0° |
| CAI | CAH | CAF | HAQ | 120.0° | 120.0° |
| CAH | CAI | CAJ | OAK | 31.2° | 180.0° |
| CAI | CAH | CAF | HAL | 175.7° | 55.0° |
| CAI | CAH | HAP | HAQ | 120.1° | 120.0° |
| CAH | CAI | HAS | HAR | 123.4° | 120.0° |
| CAG | CAF | CAH | HAL | 123.0° | 120.0° |
| CAG | CAF | CAE | HAJ | 53.5° | 55.0° |
| CAG | CAF | CAE | HAK | 173.6° | 175.1° |
| CAF | CAG | HAO | HAN | 120.0° | 120.0° |
| CAF | CAG | HAO | HAM | 120.0° | 120.0° |
| CAF | CAG | HAN | HAM | 120.0° | 120.1° |
| CAG | CAF | CAH | HAP | 67.3° | 55.0° |
| CAG | CAF | CAH | HAQ | 172.7° | 175.0° |
| CAH | CAF | CAE | HAJ | 73.3° | 65.0° |
| CAH | CAF | CAE | HAK | 46.8° | 55.0° |
| CAH | CAF | CAG | HAO | 56.9° | 60.0° |
| CAH | CAF | CAG | HAN | 176.9° | 180.0° |
| CAH | CAF | CAG | HAM | 63.1° | 60.0° |
| CAF | CAH | HAP | HAQ | 120.0° | 120.0° |
| CAF | CAH | CAI | HAS | 64.3° | 60.0° |
| CAF | CAH | CAI | HAR | 58.0° | 60.0° |
| OAK | CAJ | CAI | HAS | 150.1° | 60.0° |
| OAK | CAJ | CAI | HAR | 87.6° | 60.0° |
| HAB | CAA | HAA | HAC | 119.9° | 120.1° |
| HAB | CAA | CAB | HAD | 59.6° | 60.0° |
| HAB | CAA | CAB | HAE | 59.6° | 180.0° |
| HAA | CAA | CAB | HAD | 60.4° | 179.9° |
| HAA | CAA | CAB | HAE | 179.6° | 60.0° |
| HAC | CAA | CAB | HAD | 179.6° | 60.0° |
| HAC | CAA | CAB | HAE | 60.4° | 60.0° |
| HAD | CAB | CAC | HAF | 56.2° | 65.0° |
| HAE | CAB | CAC | HAF | 63.1° | 175.0° |
| HAF | CAC | CAD | HAI | 55.3° | 179.9° |
| HAF | CAC | CAD | HAH | 175.4° | 60.0° |
| HAF | CAC | CAD | HAG | 64.7° | 60.0° |
| HAF | CAC | CAE | HAJ | 113.4° | 64.9° |
| HAF | CAC | CAE | HAK | 126.5° | 175.0° |
| HAI | CAD | HAH | HAG | 120.0° | 120.0° |
| HAJ | CAE | CAF | HAL | 168.5° | 175.0° |
| HAK | CAE | CAF | HAL | 71.5° | 64.9° |
| HAL | CAF | CAG | HAO | 65.4° | 60.0° |
| HAL | CAF | CAG | HAN | 54.6° | 60.0° |
| HAL | CAF | CAG | HAM | 174.6° | 179.9° |
| HAL | CAF | CAH | HAP | 55.8° | 175.0° |
| HAL | CAF | CAH | HAQ | 64.3° | 65.0° |
| HAO | CAG | HAN | HAM | 120.0° | 119.9° |
| HAP | CAH | CAI | HAS | 175.7° | 180.0° |
| HAP | CAH | CAI | HAR | 62.0° | 60.0° |
| HAQ | CAH | CAI | HAS | 55.6° | 60.0° |
| HAQ | CAH | CAI | HAR | 177.9° | 180.0° |
