CLU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | CAL | sing | 1.74Å | 4.05Å | |
| CAM | CAN | doub | 1.40Å | 1.39Å | Aromatic |
| CAM | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CL2 | sing | 1.74Å | 4.06Å | |
| CAE | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAC | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAN | CAL | sing | 1.40Å | 1.39Å | Aromatic |
| CAN | NAJ | sing | 1.37Å | 1.34Å | |
| NAJ | CAK | doub | 1.31Å | 1.39Å | |
| CAK | NAH | sing | 1.37Å | 1.39Å | |
| CAK | NAI | sing | 1.37Å | 1.33Å | |
| NAI | CAG | sing | 1.47Å | 1.46Å | |
| NAI | HNAI | sing | 0.97Å | 1.00Å | |
| CAG | CAF | sing | 1.54Å | 1.54Å | |
| CAG | HAG1 | sing | 1.09Å | 1.10Å | |
| CAG | HAG2 | sing | 1.09Å | 1.10Å | |
| CAF | NAH | sing | 1.47Å | 1.46Å | |
| CAF | HAF1 | sing | 1.09Å | 1.10Å | |
| CAF | HAF2 | sing | 1.09Å | 1.10Å | |
| NAH | HNAH | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | CAL | CAD | 102.8° | 120.1° |
| CL1 | CAL | CAN | 17.4° | 120.1° |
| CAN | CAM | CAE | 120.4° | 119.9° |
| CAN | CAM | CL2 | 17.6° | 120.1° |
| CAM | CAN | CAL | 119.6° | 119.7° |
| CAM | CAN | NAJ | 119.1° | 120.1° |
| CAE | CAM | CL2 | 102.8° | 120.1° |
| CAM | CAE | CAC | 120.0° | 120.1° |
| CAM | CAE | HAE | 120.0° | 119.9° |
| CAC | CAE | HAE | 120.0° | 119.9° |
| CAE | CAC | CAD | 119.6° | 120.3° |
| CAE | CAC | HAC | 120.2° | 119.8° |
| CAD | CAC | HAC | 120.2° | 119.8° |
| CAC | CAD | CAL | 120.2° | 120.1° |
| CAC | CAD | HAD | 119.9° | 119.9° |
| CAL | CAD | HAD | 119.9° | 119.9° |
| CAD | CAL | CAN | 120.2° | 119.8° |
| CAL | CAN | NAJ | 121.2° | 120.2° |
| CAN | NAJ | CAK | 132.6° | 120.0° |
| NAJ | CAK | NAH | 129.8° | 123.6° |
| NAJ | CAK | NAI | 122.8° | 123.6° |
| NAH | CAK | NAI | 107.4° | 112.8° |
| CAK | NAH | CAF | 111.8° | 109.0° |
| CAK | NAH | HNAH | 124.1° | 125.4° |
| CAK | NAI | CAG | 112.0° | 109.1° |
| CAK | NAI | HNAI | 124.0° | 125.5° |
| CAG | NAI | HNAI | 124.0° | 125.4° |
| NAI | CAG | CAF | 102.0° | 104.5° |
| NAI | CAG | HAG1 | 112.0° | 110.4° |
| NAI | CAG | HAG2 | 113.6° | 110.4° |
| CAF | CAG | HAG1 | 112.1° | 110.5° |
| CAF | CAG | HAG2 | 113.6° | 110.4° |
| CAG | CAF | NAH | 101.3° | 104.5° |
| CAG | CAF | HAF1 | 112.3° | 110.4° |
| CAG | CAF | HAF2 | 114.0° | 110.4° |
| HAG1 | CAG | HAG2 | 103.9° | 110.5° |
| NAH | CAF | HAF1 | 112.3° | 110.6° |
| NAH | CAF | HAF2 | 114.0° | 110.3° |
| CAF | NAH | HNAH | 124.1° | 125.5° |
| HAF1 | CAF | HAF2 | 103.4° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | CAL | CAN | CAM | 0.6° | 180.0° |
| CL1 | CAL | CAD | CAC | 0.1° | 180.0° |
| CL1 | CAL | CAD | CAN | 0.4° | 179.9° |
| CL1 | CAL | CAD | HAD | 179.9° | 0.1° |
| CL1 | CAL | CAN | NAJ | 177.3° | 0.1° |
| CAN | CAM | CAE | CL2 | 0.5° | 179.7° |
| CAN | CAM | CAE | CAC | 0.3° | 0.1° |
| CAN | CAM | CAE | HAE | 179.7° | 180.0° |
| CAM | CAN | CAL | CAD | 0.8° | 0.1° |
| CAM | CAN | CAL | NAJ | 177.9° | 179.9° |
| CAM | CAN | NAJ | CAK | 100.8° | 90.1° |
| CAM | CAE | CAC | HAE | 180.0° | 179.9° |
| CAM | CAE | CAC | CAD | 0.2° | 0.1° |
| CAM | CAE | CAC | HAC | 179.8° | 180.0° |
| CAE | CAM | CAN | CAL | 0.9° | 0.0° |
| CAE | CAM | CAN | NAJ | 178.8° | 180.0° |
| CL2 | CAM | CAE | CAC | 0.2° | 179.8° |
| CL2 | CAM | CAE | HAE | 179.8° | 0.3° |
| CL2 | CAM | CAN | CAL | 0.9° | 179.7° |
| CL2 | CAM | CAN | NAJ | 177.0° | 0.2° |
| CAE | CAC | CAD | HAC | 180.0° | 180.0° |
| CAE | CAC | CAD | CAL | 0.2° | 0.0° |
| CAE | CAC | CAD | HAD | 179.8° | 179.9° |
| HAE | CAE | CAC | CAD | 179.8° | 180.0° |
| HAE | CAE | CAC | HAC | 0.2° | 0.1° |
| CAC | CAD | CAL | HAD | 180.0° | 179.9° |
| CAC | CAD | CAL | CAN | 0.3° | 0.1° |
| HAC | CAC | CAD | CAL | 179.8° | 180.0° |
| HAC | CAC | CAD | HAD | 0.3° | 0.1° |
| CAD | CAL | CAN | NAJ | 178.7° | 180.0° |
| HAD | CAD | CAL | CAN | 179.7° | 180.0° |
| CAL | CAN | NAJ | CAK | 81.3° | 90.0° |
| CAN | NAJ | CAK | NAH | 179.6° | 180.0° |
| CAN | NAJ | CAK | NAI | 0.3° | 0.3° |
| NAJ | CAK | NAH | NAI | 179.9° | 179.8° |
| NAJ | CAK | NAI | CAG | 165.8° | 180.0° |
| NAJ | CAK | NAI | HNAI | 14.2° | 0.0° |
| NAJ | CAK | NAH | CAF | 178.5° | 179.8° |
| NAJ | CAK | NAH | HNAH | 1.5° | 0.0° |
| NAH | CAK | NAI | CAG | 14.1° | 0.2° |
| NAH | CAK | NAI | HNAI | 165.9° | 179.8° |
| CAK | NAH | CAF | CAG | 15.0° | 0.4° |
| CAK | NAH | CAF | HNAH | 180.0° | 179.9° |
| CAK | NAH | CAF | HAF1 | 135.0° | 118.5° |
| CAK | NAH | CAF | HAF2 | 107.9° | 119.0° |
| CAK | NAI | CAG | HNAI | 180.0° | 180.0° |
| CAK | NAI | CAG | CAF | 22.8° | 0.0° |
| CAK | NAI | CAG | HAG1 | 97.2° | 118.8° |
| CAK | NAI | CAG | HAG2 | 145.5° | 118.8° |
| NAI | CAK | NAH | CAF | 1.6° | 0.4° |
| NAI | CAK | NAH | HNAH | 178.4° | 179.7° |
| NAI | CAG | CAF | HAG1 | 120.0° | 118.8° |
| NAI | CAG | CAF | HAG2 | 122.7° | 118.7° |
| NAI | CAG | HAG1 | HAG2 | 123.0° | 122.4° |
| NAI | CAG | CAF | NAH | 21.2° | 0.2° |
| NAI | CAG | CAF | HAF1 | 141.2° | 118.8° |
| NAI | CAG | CAF | HAF2 | 101.7° | 118.8° |
| HNAI | NAI | CAG | CAF | 157.2° | 180.0° |
| HNAI | NAI | CAG | HAG1 | 82.8° | 61.2° |
| HNAI | NAI | CAG | HAG2 | 34.5° | 61.3° |
| CAF | CAG | HAG1 | HAG2 | 123.1° | 122.5° |
| CAG | CAF | NAH | HAF1 | 120.0° | 118.9° |
| CAG | CAF | NAH | HAF2 | 122.9° | 118.7° |
| CAG | CAF | HAF1 | HAF2 | 123.3° | 122.4° |
| CAG | CAF | NAH | HNAH | 165.0° | 179.8° |
| HAG1 | CAG | CAF | NAH | 98.8° | 119.0° |
| HAG1 | CAG | CAF | HAF1 | 21.2° | 0.0° |
| HAG1 | CAG | CAF | HAF2 | 138.3° | 122.5° |
| HAG2 | CAG | CAF | NAH | 143.9° | 118.5° |
| HAG2 | CAG | CAF | HAF1 | 96.1° | 122.5° |
| HAG2 | CAG | CAF | HAF2 | 21.0° | 0.0° |
| NAH | CAF | HAF1 | HAF2 | 123.3° | 122.3° |
| HAF1 | CAF | NAH | HNAH | 45.0° | 61.3° |
| HAF2 | CAF | NAH | HNAH | 72.1° | 61.1° |
