T83
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAH | CAA | sing | 1.43Å | 1.42Å | |
| OAH | CAK | sing | 1.36Å | 1.35Å | |
| CAK | CAG | doub | 1.38Å | 1.43Å | Aromatic |
| CAK | CAJ | sing | 1.40Å | 1.41Å | Aromatic |
| OAC | CAJ | sing | 1.36Å | 1.42Å | |
| CAG | CAM | sing | 1.40Å | 1.41Å | Aromatic |
| CAJ | CAF | doub | 1.38Å | 1.37Å | Aromatic |
| CAM | CAE | sing | 1.46Å | 1.44Å | |
| CAM | CAN | doub | 1.41Å | 1.43Å | Aromatic |
| CAF | CAN | sing | 1.39Å | 1.45Å | Aromatic |
| CAE | CAD | doub | 1.36Å | 1.43Å | |
| CAN | OAI | sing | 1.35Å | 1.40Å | |
| CAD | CAL | sing | 1.41Å | 1.42Å | |
| OAI | CAL | sing | 1.34Å | 1.35Å | |
| CAL | OAB | doub | 1.22Å | 1.20Å | |
| 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 | H5 | sing | 1.08Å | 1.08Å | |
| CAF | H6 | sing | 1.08Å | 1.08Å | |
| CAG | H7 | sing | 1.08Å | 1.08Å | |
| OAC | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAH | CAK | 98.8° | 117.0° |
| OAH | CAA | H1 | 109.5° | 109.5° |
| OAH | CAA | H2 | 109.5° | 109.5° |
| OAH | CAA | H3 | 109.5° | 109.4° |
| OAH | CAK | CAG | 120.1° | 119.9° |
| OAH | CAK | CAJ | 111.8° | 119.9° |
| CAG | CAK | CAJ | 128.0° | 120.2° |
| CAK | CAG | CAM | 115.8° | 119.6° |
| CAK | CAG | H7 | 122.1° | 120.2° |
| CAK | CAJ | OAC | 121.7° | 119.8° |
| CAK | CAJ | CAF | 116.3° | 120.5° |
| OAC | CAJ | CAF | 121.9° | 119.7° |
| CAJ | OAC | H8 | 109.5° | 114.0° |
| CAG | CAM | CAE | 121.2° | 120.9° |
| CAG | CAM | CAN | 116.2° | 120.1° |
| CAM | CAG | H7 | 122.1° | 120.2° |
| CAJ | CAF | CAN | 117.7° | 120.0° |
| CAJ | CAF | H6 | 121.2° | 120.0° |
| CAE | CAM | CAN | 122.3° | 119.0° |
| CAM | CAE | CAD | 117.2° | 118.2° |
| CAM | CAE | H5 | 121.4° | 120.9° |
| CAM | CAN | CAF | 125.6° | 119.6° |
| CAM | CAN | OAI | 117.9° | 119.8° |
| CAF | CAN | OAI | 116.4° | 120.6° |
| CAN | CAF | H6 | 121.1° | 120.0° |
| CAE | CAD | CAL | 116.7° | 119.8° |
| CAE | CAD | H4 | 121.6° | 120.1° |
| CAD | CAE | H5 | 121.4° | 120.9° |
| CAN | OAI | CAL | 118.7° | 121.5° |
| CAD | CAL | OAI | 125.1° | 121.7° |
| CAD | CAL | OAB | 118.8° | 119.1° |
| CAL | CAD | H4 | 121.6° | 120.1° |
| OAI | CAL | OAB | 116.1° | 119.2° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAH | CAK | CAG | 71.2° | 0.1° |
| CAA | OAH | CAK | CAJ | 105.2° | 180.0° |
| OAH | CAA | H1 | H2 | 120.0° | 120.0° |
| OAH | CAA | H1 | H3 | 120.0° | 119.9° |
| OAH | CAA | H2 | H3 | 120.0° | 119.9° |
| OAH | CAK | CAG | CAJ | 175.7° | 180.0° |
| OAH | CAK | CAJ | OAC | 0.6° | 0.0° |
| OAH | CAK | CAG | CAM | 176.8° | 180.0° |
| OAH | CAK | CAJ | CAF | 179.2° | 180.0° |
| CAK | OAH | CAA | H1 | 180.0° | 180.0° |
| CAK | OAH | CAA | H2 | 60.0° | 59.9° |
| CAK | OAH | CAA | H3 | 60.0° | 60.0° |
| OAH | CAK | CAG | H7 | 3.2° | 0.0° |
| CAG | CAK | CAJ | OAC | 176.5° | 180.0° |
| CAK | CAG | CAM | H7 | 180.0° | 180.0° |
| CAG | CAK | CAJ | CAF | 4.8° | 0.0° |
| CAK | CAG | CAM | CAE | 178.4° | 180.0° |
| CAK | CAG | CAM | CAN | 3.9° | 0.0° |
| CAK | CAJ | OAC | CAF | 178.6° | 180.0° |
| CAJ | CAK | CAG | CAM | 1.1° | 0.0° |
| CAK | CAJ | CAF | CAN | 3.0° | 0.0° |
| CAK | CAJ | CAF | H6 | 177.0° | 180.0° |
| CAJ | CAK | CAG | H7 | 178.9° | 180.0° |
| CAK | CAJ | OAC | H8 | 180.0° | 90.0° |
| OAC | CAJ | CAF | CAN | 178.4° | 180.0° |
| OAC | CAJ | CAF | H6 | 1.6° | 0.0° |
| CAG | CAM | CAE | CAN | 174.1° | 179.9° |
| CAG | CAM | CAN | CAF | 5.8° | 0.0° |
| CAG | CAM | CAE | CAD | 168.3° | 180.0° |
| CAG | CAM | CAN | OAI | 173.2° | 179.8° |
| CAG | CAM | CAE | H5 | 11.7° | 0.1° |
| CAJ | CAF | CAN | CAM | 2.2° | 0.1° |
| CAJ | CAF | CAN | H6 | 180.0° | 180.0° |
| CAJ | CAF | CAN | OAI | 176.8° | 179.8° |
| CAF | CAJ | OAC | H8 | 1.4° | 90.0° |
| CAE | CAM | CAN | CAF | 179.8° | 179.9° |
| CAM | CAE | CAD | H5 | 180.0° | 180.0° |
| CAE | CAM | CAN | OAI | 1.2° | 0.3° |
| CAM | CAE | CAD | CAL | 0.6° | 0.0° |
| CAM | CAE | CAD | H4 | 179.4° | 179.7° |
| CAE | CAM | CAG | H7 | 1.6° | 0.1° |
| CAM | CAN | CAF | OAI | 179.0° | 179.8° |
| CAN | CAM | CAE | CAD | 5.8° | 0.0° |
| CAM | CAN | OAI | CAL | 10.2° | 0.5° |
| CAN | CAM | CAE | H5 | 174.2° | 180.0° |
| CAM | CAN | CAF | H6 | 177.8° | 180.0° |
| CAN | CAM | CAG | H7 | 176.1° | 180.0° |
| CAF | CAN | OAI | CAL | 168.9° | 179.7° |
| CAE | CAD | CAL | H4 | 180.0° | 179.7° |
| CAE | CAD | CAL | OAI | 12.9° | 0.2° |
| CAE | CAD | CAL | OAB | 165.5° | 179.8° |
| CAN | OAI | CAL | CAD | 18.0° | 0.5° |
| CAN | OAI | CAL | OAB | 160.5° | 179.5° |
| OAI | CAN | CAF | H6 | 3.2° | 0.2° |
| CAD | CAL | OAI | OAB | 178.5° | 180.0° |
| CAL | CAD | CAE | H5 | 179.3° | 180.0° |
| OAI | CAL | CAD | H4 | 167.1° | 179.9° |
| OAB | CAL | CAD | H4 | 14.5° | 0.1° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H4 | CAD | CAE | H5 | 0.7° | 0.3° |
