UKV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAI | CAO | sing | 1.34Å | 1.34Å | |
| NAI | CAN | sing | 1.32Å | 1.35Å | |
| SAC | CAO | doub | 1.71Å | 1.73Å | |
| OAB | CAN | doub | 1.22Å | 1.23Å | |
| CAO | SAK | sing | 1.77Å | 1.64Å | |
| CAN | CAP | sing | 1.47Å | 1.34Å | |
| CAP | SAK | sing | 1.78Å | 1.68Å | |
| CAP | CAD | doub | 1.36Å | 1.34Å | |
| CAD | CAL | sing | 1.47Å | 1.40Å | |
| CAL | CAF | doub | 1.40Å | 1.39Å | Aromatic |
| CAL | CAH | sing | 1.40Å | 1.40Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | OAJ | sing | 1.36Å | 1.37Å | |
| CAA | OAJ | sing | 1.43Å | 1.43Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| CAG | H8 | sing | 1.08Å | 1.08Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å | |
| NAI | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAO | NAI | CAN | 113.1° | 119.5° |
| NAI | CAO | SAC | 125.1° | 126.5° |
| NAI | CAO | SAK | 109.6° | 106.9° |
| CAO | NAI | H10 | 123.5° | 120.3° |
| NAI | CAN | OAB | 122.2° | 122.5° |
| NAI | CAN | CAP | 115.4° | 114.9° |
| CAN | NAI | H10 | 123.5° | 120.2° |
| SAC | CAO | SAK | 125.3° | 126.5° |
| OAB | CAN | CAP | 122.4° | 122.6° |
| CAO | SAK | CAP | 95.0° | 94.5° |
| CAN | CAP | SAK | 107.0° | 104.1° |
| CAN | CAP | CAD | 120.9° | 128.0° |
| SAK | CAP | CAD | 132.1° | 127.9° |
| CAP | CAD | CAL | 125.5° | 120.0° |
| CAP | CAD | H4 | 117.3° | 120.0° |
| CAD | CAL | CAF | 115.3° | 120.2° |
| CAD | CAL | CAH | 126.5° | 120.1° |
| CAL | CAD | H4 | 117.2° | 119.9° |
| CAF | CAL | CAH | 118.1° | 119.7° |
| CAL | CAF | CAE | 121.2° | 120.0° |
| CAL | CAF | H7 | 119.4° | 120.0° |
| CAL | CAH | CAM | 121.2° | 119.7° |
| CAL | CAH | H9 | 119.4° | 120.2° |
| CAF | CAE | CAG | 120.1° | 120.2° |
| CAF | CAE | H6 | 120.0° | 119.9° |
| CAE | CAF | H7 | 119.4° | 120.0° |
| CAH | CAM | CAG | 119.6° | 120.0° |
| CAH | CAM | OAJ | 121.6° | 119.9° |
| CAM | CAH | H9 | 119.4° | 120.1° |
| CAE | CAG | CAM | 119.8° | 120.4° |
| CAG | CAE | H6 | 120.0° | 119.9° |
| CAE | CAG | H8 | 120.1° | 119.9° |
| CAG | CAM | OAJ | 118.9° | 120.0° |
| CAM | CAG | H8 | 120.1° | 119.8° |
| CAM | OAJ | CAA | 112.7° | 117.0° |
| OAJ | CAA | H1 | 109.5° | 109.5° |
| OAJ | CAA | H2 | 109.4° | 109.5° |
| OAJ | CAA | H3 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAO | NAI | CAN | H10 | 180.0° | 179.9° |
| NAI | CAO | SAC | SAK | 180.0° | 180.0° |
| CAO | NAI | CAN | OAB | 179.7° | 179.7° |
| CAO | NAI | CAN | CAP | 0.8° | 0.1° |
| NAI | CAO | SAK | CAP | 0.4° | 0.0° |
| CAN | NAI | CAO | SAC | 179.8° | 180.0° |
| NAI | CAN | OAB | CAP | 178.8° | 179.6° |
| CAN | NAI | CAO | SAK | 0.2° | 0.1° |
| NAI | CAN | CAP | SAK | 1.0° | 0.1° |
| NAI | CAN | CAP | CAD | 179.4° | 180.0° |
| SAC | CAO | SAK | CAP | 179.7° | 180.0° |
| SAC | CAO | NAI | H10 | 0.2° | 0.0° |
| OAB | CAN | CAP | SAK | 179.9° | 179.7° |
| OAB | CAN | CAP | CAD | 1.8° | 0.3° |
| OAB | CAN | NAI | H10 | 0.3° | 0.3° |
| CAO | SAK | CAP | CAN | 0.8° | 0.0° |
| CAO | SAK | CAP | CAD | 178.8° | 180.0° |
| SAK | CAO | NAI | H10 | 179.8° | 180.0° |
| CAN | CAP | SAK | CAD | 178.1° | 179.9° |
| CAN | CAP | CAD | CAL | 179.2° | 172.9° |
| CAN | CAP | CAD | H4 | 0.8° | 7.2° |
| CAP | CAN | NAI | H10 | 179.2° | 180.0° |
| SAK | CAP | CAD | CAL | 3.0° | 7.2° |
| SAK | CAP | CAD | H4 | 177.0° | 172.7° |
| CAP | CAD | CAL | H4 | 180.0° | 179.9° |
| CAP | CAD | CAL | CAF | 178.6° | 159.0° |
| CAP | CAD | CAL | CAH | 3.0° | 21.0° |
| CAD | CAL | CAF | CAH | 178.5° | 180.0° |
| CAD | CAL | CAF | CAE | 180.0° | 180.0° |
| CAD | CAL | CAH | CAM | 179.7° | 179.7° |
| CAD | CAL | CAF | H7 | 0.0° | 0.1° |
| CAD | CAL | CAH | H9 | 0.3° | 0.3° |
| CAL | CAF | CAE | H7 | 180.0° | 180.0° |
| CAF | CAL | CAH | CAM | 1.4° | 0.3° |
| CAL | CAF | CAE | CAG | 1.1° | 0.0° |
| CAF | CAL | CAD | H4 | 1.4° | 20.9° |
| CAL | CAF | CAE | H6 | 178.9° | 179.7° |
| CAF | CAL | CAH | H9 | 178.6° | 179.7° |
| CAH | CAL | CAF | CAE | 1.4° | 0.0° |
| CAL | CAH | CAM | H9 | 180.0° | 179.4° |
| CAL | CAH | CAM | CAG | 1.0° | 0.6° |
| CAL | CAH | CAM | OAJ | 179.8° | 179.9° |
| CAH | CAL | CAD | H4 | 177.0° | 159.1° |
| CAH | CAL | CAF | H7 | 178.6° | 180.0° |
| CAF | CAE | CAG | H6 | 180.0° | 179.7° |
| CAF | CAE | CAG | CAM | 0.6° | 0.3° |
| CAF | CAE | CAG | H8 | 179.4° | 179.8° |
| CAH | CAM | CAG | CAE | 0.6° | 0.6° |
| CAH | CAM | CAG | OAJ | 179.3° | 179.5° |
| CAH | CAM | OAJ | CAA | 0.1° | 180.0° |
| CAH | CAM | CAG | H8 | 179.4° | 179.5° |
| CAE | CAG | CAM | H8 | 180.0° | 179.9° |
| CAE | CAG | CAM | OAJ | 179.8° | 179.9° |
| CAG | CAE | CAF | H7 | 178.9° | 180.0° |
| CAG | CAM | OAJ | CAA | 179.2° | 0.5° |
| CAM | CAG | CAE | H6 | 179.4° | 179.9° |
| CAG | CAM | CAH | H9 | 179.1° | 179.9° |
| CAM | OAJ | CAA | H1 | 180.0° | 59.9° |
| CAM | OAJ | CAA | H2 | 60.0° | 60.1° |
| CAM | OAJ | CAA | H3 | 60.0° | 180.0° |
| OAJ | CAM | CAG | H8 | 0.1° | 0.0° |
| OAJ | CAM | CAH | H9 | 0.2° | 0.6° |
| OAJ | CAA | H1 | H2 | 120.0° | 120.0° |
| OAJ | CAA | H1 | H3 | 120.0° | 120.1° |
| OAJ | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H6 | CAE | CAF | H7 | 1.1° | 0.3° |
| H6 | CAE | CAG | H8 | 0.7° | 0.1° |
