3VX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAJ | doub | 1.21Å | 1.24Å | |
| CAA | CAJ | sing | 1.51Å | 1.55Å | |
| CAJ | NAI | sing | 1.35Å | 1.37Å | |
| NAI | CAL | sing | 1.39Å | 1.36Å | |
| CAL | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | CAF | sing | 1.40Å | 1.40Å | Aromatic |
| CAD | CAE | sing | 1.39Å | 1.40Å | Aromatic |
| CAF | CAM | doub | 1.38Å | 1.34Å | Aromatic |
| CAE | CAN | doub | 1.38Å | 1.35Å | Aromatic |
| CAM | CAN | sing | 1.41Å | 1.35Å | Aromatic |
| CAM | CAH | sing | 1.48Å | 1.40Å | |
| CAN | CAK | sing | 1.49Å | 1.34Å | |
| CAH | CAG | doub | 1.34Å | 1.52Å | |
| CAK | OAC | doub | 1.21Å | 1.23Å | |
| CAK | CAG | sing | 1.47Å | 1.39Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| NAI | H4 | sing | 0.97Å | 1.00Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAG | H7 | sing | 1.08Å | 1.08Å | |
| CAE | H8 | sing | 1.08Å | 1.08Å | |
| CAD | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAJ | CAA | 119.6° | 120.0° |
| OAB | CAJ | NAI | 121.1° | 120.0° |
| CAA | CAJ | NAI | 119.3° | 120.0° |
| CAJ | CAA | H1 | 109.5° | 109.4° |
| CAJ | CAA | H2 | 109.5° | 109.5° |
| CAJ | CAA | H3 | 109.4° | 109.4° |
| CAJ | NAI | CAL | 127.1° | 120.0° |
| CAJ | NAI | H4 | 116.4° | 120.1° |
| NAI | CAL | CAD | 125.2° | 119.9° |
| NAI | CAL | CAF | 117.5° | 119.8° |
| CAL | NAI | H4 | 116.5° | 120.0° |
| CAD | CAL | CAF | 117.3° | 120.3° |
| CAL | CAD | CAE | 117.9° | 120.1° |
| CAL | CAD | H9 | 121.0° | 120.0° |
| CAL | CAF | CAM | 122.5° | 119.8° |
| CAL | CAF | H5 | 118.8° | 120.1° |
| CAD | CAE | CAN | 122.2° | 120.0° |
| CAD | CAE | H8 | 118.9° | 120.0° |
| CAE | CAD | H9 | 121.0° | 119.9° |
| CAF | CAM | CAN | 120.3° | 119.5° |
| CAF | CAM | CAH | 129.8° | 132.4° |
| CAM | CAF | H5 | 118.8° | 120.0° |
| CAE | CAN | CAM | 119.8° | 120.3° |
| CAE | CAN | CAK | 131.0° | 133.2° |
| CAN | CAE | H8 | 118.9° | 120.0° |
| CAN | CAM | CAH | 109.9° | 108.1° |
| CAM | CAN | CAK | 109.2° | 106.6° |
| CAM | CAH | CAG | 105.4° | 109.9° |
| CAM | CAH | H6 | 127.3° | 125.1° |
| CAN | CAK | OAC | 124.1° | 126.7° |
| CAN | CAK | CAG | 113.0° | 106.6° |
| CAH | CAG | CAK | 102.3° | 108.8° |
| CAG | CAH | H6 | 127.3° | 125.0° |
| CAH | CAG | H7 | 128.8° | 125.5° |
| OAC | CAK | CAG | 122.9° | 126.6° |
| CAK | CAG | H7 | 128.8° | 125.6° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAJ | CAA | NAI | 179.9° | 179.9° |
| OAB | CAJ | NAI | CAL | 179.2° | 4.7° |
| OAB | CAJ | CAA | H1 | 0.0° | 180.0° |
| OAB | CAJ | CAA | H2 | 120.0° | 60.0° |
| OAB | CAJ | CAA | H3 | 120.0° | 60.1° |
| OAB | CAJ | NAI | H4 | 0.8° | 175.4° |
| CAA | CAJ | NAI | CAL | 0.7° | 175.4° |
| CAJ | CAA | H1 | H2 | 120.0° | 120.0° |
| CAJ | CAA | H1 | H3 | 120.0° | 119.9° |
| CAJ | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAJ | NAI | H4 | 179.3° | 4.6° |
| CAJ | NAI | CAL | H4 | 180.0° | 180.0° |
| CAJ | NAI | CAL | CAD | 40.8° | 144.9° |
| CAJ | NAI | CAL | CAF | 141.8° | 35.4° |
| NAI | CAJ | CAA | H1 | 179.9° | 0.1° |
| NAI | CAJ | CAA | H2 | 60.1° | 120.0° |
| NAI | CAJ | CAA | H3 | 59.9° | 120.0° |
| NAI | CAL | CAD | CAF | 177.4° | 179.7° |
| NAI | CAL | CAD | CAE | 178.7° | 179.7° |
| NAI | CAL | CAF | CAM | 179.1° | 179.9° |
| NAI | CAL | CAF | H5 | 1.0° | 0.0° |
| NAI | CAL | CAD | H9 | 1.3° | 0.1° |
| CAL | CAD | CAE | H9 | 180.0° | 179.6° |
| CAD | CAL | CAF | CAM | 1.5° | 0.3° |
| CAL | CAD | CAE | CAN | 0.6° | 0.6° |
| CAD | CAL | NAI | H4 | 139.2° | 35.1° |
| CAD | CAL | CAF | H5 | 178.6° | 179.7° |
| CAL | CAD | CAE | H8 | 179.4° | 179.7° |
| CAF | CAL | CAD | CAE | 1.4° | 0.6° |
| CAL | CAF | CAM | H5 | 180.0° | 180.0° |
| CAL | CAF | CAM | CAN | 0.7° | 0.0° |
| CAL | CAF | CAM | CAH | 179.1° | 180.0° |
| CAF | CAL | NAI | H4 | 38.2° | 144.6° |
| CAF | CAL | CAD | H9 | 178.6° | 179.8° |
| CAD | CAE | CAN | H8 | 180.0° | 179.7° |
| CAD | CAE | CAN | CAM | 0.2° | 0.3° |
| CAD | CAE | CAN | CAK | 180.0° | 179.7° |
| CAF | CAM | CAN | CAE | 0.1° | 0.0° |
| CAF | CAM | CAN | CAH | 179.8° | 179.9° |
| CAF | CAM | CAN | CAK | 180.0° | 180.0° |
| CAF | CAM | CAH | CAG | 177.4° | 180.0° |
| CAF | CAM | CAH | H6 | 2.7° | 0.1° |
| CAE | CAN | CAM | CAK | 179.8° | 180.0° |
| CAE | CAN | CAM | CAH | 179.9° | 180.0° |
| CAE | CAN | CAK | OAC | 2.1° | 0.0° |
| CAE | CAN | CAK | CAG | 177.0° | 180.0° |
| CAN | CAE | CAD | H9 | 179.4° | 179.8° |
| CAN | CAM | CAH | CAG | 2.8° | 0.0° |
| CAM | CAN | CAK | OAC | 178.1° | 180.0° |
| CAM | CAN | CAK | CAG | 2.9° | 0.0° |
| CAN | CAM | CAF | H5 | 179.3° | 180.0° |
| CAN | CAM | CAH | H6 | 177.1° | 180.0° |
| CAM | CAN | CAE | H8 | 179.8° | 180.0° |
| CAH | CAM | CAN | CAK | 0.2° | 0.0° |
| CAM | CAH | CAG | H6 | 180.0° | 180.0° |
| CAM | CAH | CAG | CAK | 4.2° | 0.0° |
| CAH | CAM | CAF | H5 | 0.9° | 0.0° |
| CAM | CAH | CAG | H7 | 175.8° | 180.0° |
| CAN | CAK | CAG | CAH | 4.4° | 0.0° |
| CAN | CAK | OAC | CAG | 179.0° | 180.0° |
| CAN | CAK | CAG | H7 | 175.7° | 179.9° |
| CAK | CAN | CAE | H8 | 0.0° | 0.0° |
| CAH | CAG | CAK | OAC | 176.6° | 180.0° |
| CAH | CAG | CAK | H7 | 180.0° | 179.9° |
| OAC | CAK | CAG | H7 | 3.4° | 0.1° |
| CAK | CAG | CAH | H6 | 175.8° | 180.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H6 | CAH | CAG | H7 | 4.2° | 0.1° |
| H8 | CAE | CAD | H9 | 0.6° | 0.1° |
