2PV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAM | doub | 1.31Å | 1.33Å | |
| SAJ | CAM | sing | 1.77Å | 1.60Å | |
| SAJ | CAO | sing | 1.77Å | 1.64Å | |
| CAM | NAI | sing | 1.37Å | 1.33Å | |
| NAI | CAN | sing | 1.32Å | 1.35Å | |
| CAO | CAD | doub | 1.36Å | 1.35Å | |
| CAO | CAN | sing | 1.47Å | 1.35Å | |
| CAD | CAL | sing | 1.47Å | 1.40Å | |
| CAN | OAC | doub | 1.22Å | 1.23Å | |
| CAL | CAG | doub | 1.40Å | 1.39Å | Aromatic |
| CAL | CAH | sing | 1.40Å | 1.39Å | Aromatic |
| CAG | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAK | doub | 1.39Å | 1.38Å | Aromatic |
| CAF | CAK | sing | 1.39Å | 1.38Å | Aromatic |
| CAK | NAB | sing | 1.39Å | 1.33Å | |
| NAA | H1 | sing | 0.97Å | 1.00Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| NAB | H7 | sing | 0.97Å | 1.00Å | |
| NAB | H8 | sing | 0.97Å | 1.00Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| NAI | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAM | SAJ | 125.1° | 126.7° |
| NAA | CAM | NAI | 125.6° | 126.6° |
| CAM | NAA | H1 | 112.0° | 120.0° |
| CAM | SAJ | CAO | 96.9° | 94.8° |
| SAJ | CAM | NAI | 109.2° | 106.7° |
| SAJ | CAO | CAD | 118.0° | 127.7° |
| SAJ | CAO | CAN | 106.4° | 104.6° |
| CAM | NAI | CAN | 113.2° | 118.7° |
| CAM | NAI | H11 | 123.4° | 120.6° |
| NAI | CAN | CAO | 114.3° | 115.3° |
| NAI | CAN | OAC | 119.7° | 122.3° |
| CAN | NAI | H11 | 123.4° | 120.7° |
| CAD | CAO | CAN | 135.6° | 127.7° |
| CAO | CAD | CAL | 128.9° | 120.0° |
| CAO | CAD | H3 | 115.5° | 120.0° |
| CAO | CAN | OAC | 126.0° | 122.3° |
| CAD | CAL | CAG | 114.7° | 120.1° |
| CAD | CAL | CAH | 127.7° | 120.1° |
| CAL | CAD | H3 | 115.5° | 120.0° |
| CAG | CAL | CAH | 117.6° | 119.8° |
| CAL | CAG | CAE | 121.3° | 119.9° |
| CAL | CAG | H5 | 119.3° | 120.0° |
| CAL | CAH | CAF | 121.6° | 119.9° |
| CAL | CAH | H10 | 119.2° | 120.1° |
| CAG | CAE | CAK | 120.4° | 120.1° |
| CAE | CAG | H5 | 119.4° | 120.1° |
| CAG | CAE | H6 | 119.8° | 119.9° |
| CAH | CAF | CAK | 119.8° | 120.1° |
| CAH | CAF | H9 | 120.1° | 120.0° |
| CAF | CAH | H10 | 119.2° | 120.0° |
| CAE | CAK | CAF | 119.2° | 120.2° |
| CAE | CAK | NAB | 120.1° | 119.9° |
| CAK | CAE | H6 | 119.8° | 120.0° |
| CAF | CAK | NAB | 120.6° | 119.9° |
| CAK | CAF | H9 | 120.1° | 119.9° |
| CAK | NAB | H7 | 109.5° | 120.0° |
| CAK | NAB | H8 | 109.5° | 120.0° |
| H7 | NAB | H8 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAM | SAJ | NAI | 179.9° | 180.0° |
| NAA | CAM | SAJ | CAO | 179.8° | 179.8° |
| NAA | CAM | NAI | CAN | 179.6° | 180.0° |
| NAA | CAM | NAI | H11 | 0.4° | 0.0° |
| SAJ | CAM | NAI | CAN | 0.5° | 0.1° |
| CAM | SAJ | CAO | CAD | 179.6° | 179.9° |
| CAM | SAJ | CAO | CAN | 0.6° | 0.3° |
| SAJ | CAM | NAA | H1 | 0.0° | 0.0° |
| SAJ | CAM | NAI | H11 | 179.5° | 180.0° |
| CAO | SAJ | CAM | NAI | 0.1° | 0.2° |
| SAJ | CAO | CAN | NAI | 1.0° | 0.3° |
| SAJ | CAO | CAD | CAN | 178.5° | 179.7° |
| SAJ | CAO | CAD | CAL | 177.1° | 171.8° |
| SAJ | CAO | CAN | OAC | 179.5° | 179.9° |
| SAJ | CAO | CAD | H3 | 2.8° | 8.2° |
| CAM | NAI | CAN | H11 | 180.0° | 179.9° |
| CAM | NAI | CAN | CAO | 1.0° | 0.2° |
| CAM | NAI | CAN | OAC | 179.6° | 180.0° |
| NAI | CAM | NAA | H1 | 179.9° | 180.0° |
| NAI | CAN | CAO | CAD | 179.7° | 179.9° |
| NAI | CAN | CAO | OAC | 178.4° | 179.8° |
| CAO | CAD | CAL | H3 | 180.0° | 180.0° |
| CAD | CAO | CAN | OAC | 1.9° | 0.1° |
| CAO | CAD | CAL | CAG | 175.5° | 139.3° |
| CAO | CAD | CAL | CAH | 2.5° | 40.9° |
| CAN | CAO | CAD | CAL | 1.4° | 8.5° |
| CAN | CAO | CAD | H3 | 178.6° | 171.5° |
| CAO | CAN | NAI | H11 | 179.0° | 179.7° |
| CAD | CAL | CAG | CAH | 178.2° | 179.8° |
| CAD | CAL | CAG | CAE | 178.6° | 180.0° |
| CAD | CAL | CAH | CAF | 179.4° | 179.7° |
| CAD | CAL | CAG | H5 | 1.3° | 0.0° |
| CAD | CAL | CAH | H10 | 0.6° | 0.0° |
| OAC | CAN | NAI | H11 | 0.4° | 0.0° |
| CAL | CAG | CAE | H5 | 180.0° | 180.0° |
| CAG | CAL | CAH | CAF | 1.5° | 0.5° |
| CAL | CAG | CAE | CAK | 0.6° | 0.0° |
| CAG | CAL | CAD | H3 | 4.5° | 40.7° |
| CAL | CAG | CAE | H6 | 179.4° | 180.0° |
| CAG | CAL | CAH | H10 | 178.5° | 179.8° |
| CAH | CAL | CAG | CAE | 0.5° | 0.2° |
| CAL | CAH | CAF | H10 | 180.0° | 179.7° |
| CAL | CAH | CAF | CAK | 1.4° | 0.6° |
| CAH | CAL | CAD | H3 | 177.5° | 139.0° |
| CAH | CAL | CAG | H5 | 179.5° | 179.8° |
| CAL | CAH | CAF | H9 | 178.6° | 179.7° |
| CAG | CAE | CAK | H6 | 180.0° | 180.0° |
| CAG | CAE | CAK | CAF | 0.7° | 0.0° |
| CAG | CAE | CAK | NAB | 179.5° | 180.0° |
| CAH | CAF | CAK | CAE | 0.3° | 0.3° |
| CAH | CAF | CAK | H9 | 180.0° | 179.7° |
| CAH | CAF | CAK | NAB | 179.6° | 179.7° |
| CAE | CAK | CAF | NAB | 179.9° | 179.9° |
| CAK | CAE | CAG | H5 | 179.4° | 180.0° |
| CAE | CAK | NAB | H7 | 180.0° | 0.1° |
| CAE | CAK | NAB | H8 | 60.0° | 180.0° |
| CAE | CAK | CAF | H9 | 179.7° | 180.0° |
| CAF | CAK | CAE | H6 | 179.4° | 180.0° |
| CAF | CAK | NAB | H7 | 0.1° | 180.0° |
| CAF | CAK | NAB | H8 | 119.8° | 0.1° |
| CAK | CAF | CAH | H10 | 178.6° | 179.7° |
| NAB | CAK | CAE | H6 | 0.5° | 0.0° |
| CAK | NAB | H7 | H8 | 120.0° | 179.9° |
| NAB | CAK | CAF | H9 | 0.4° | 0.0° |
| H5 | CAG | CAE | H6 | 0.5° | 0.0° |
| H9 | CAF | CAH | H10 | 1.4° | 0.1° |
