4I8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAH | sing | 1.45Å | 1.43Å | |
| OAH | CAJ | sing | 1.35Å | 1.36Å | |
| OAB | CAJ | doub | 1.21Å | 1.24Å | |
| CAJ | CAK | sing | 1.47Å | 1.40Å | |
| CAK | CAD | doub | 1.40Å | 1.39Å | Aromatic |
| CAK | CAF | sing | 1.40Å | 1.39Å | Aromatic |
| CAD | CAE | sing | 1.38Å | 1.38Å | Aromatic |
| CAF | CAN | doub | 1.38Å | 1.34Å | Aromatic |
| CAE | CAM | doub | 1.39Å | 1.33Å | Aromatic |
| CAN | CAM | sing | 1.40Å | 1.34Å | Aromatic |
| CAN | OAI | sing | 1.36Å | 1.35Å | |
| CAM | NAG | sing | 1.39Å | 1.34Å | |
| OAI | CAL | sing | 1.34Å | 1.36Å | |
| NAG | CAL | sing | 1.35Å | 1.32Å | |
| CAL | OAC | doub | 1.22Å | 1.23Å | |
| 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 | |
| NAG | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAH | CAJ | 115.0° | 117.0° |
| OAH | CAA | H1 | 109.5° | 109.5° |
| OAH | CAA | H2 | 109.5° | 109.5° |
| OAH | CAA | H3 | 109.5° | 109.5° |
| OAH | CAJ | OAB | 124.3° | 120.0° |
| OAH | CAJ | CAK | 112.1° | 120.0° |
| OAB | CAJ | CAK | 123.3° | 120.0° |
| CAJ | CAK | CAD | 117.9° | 120.1° |
| CAJ | CAK | CAF | 123.6° | 120.0° |
| CAD | CAK | CAF | 118.5° | 120.0° |
| CAK | CAD | CAE | 119.5° | 120.1° |
| CAK | CAD | H4 | 120.3° | 119.9° |
| CAK | CAF | CAN | 119.3° | 119.8° |
| CAK | CAF | H6 | 120.4° | 120.1° |
| CAD | CAE | CAM | 120.0° | 120.0° |
| CAE | CAD | H4 | 120.3° | 120.0° |
| CAD | CAE | H5 | 120.0° | 120.0° |
| CAF | CAN | CAM | 121.8° | 119.9° |
| CAF | CAN | OAI | 130.8° | 132.9° |
| CAN | CAF | H6 | 120.4° | 120.1° |
| CAE | CAM | CAN | 120.9° | 120.3° |
| CAE | CAM | NAG | 129.4° | 133.2° |
| CAM | CAE | H5 | 120.0° | 120.0° |
| CAM | CAN | OAI | 107.4° | 107.2° |
| CAN | CAM | NAG | 109.7° | 106.6° |
| CAN | OAI | CAL | 106.1° | 109.1° |
| CAM | NAG | CAL | 106.7° | 107.6° |
| CAM | NAG | H7 | 126.7° | 126.1° |
| OAI | CAL | NAG | 110.0° | 109.5° |
| OAI | CAL | OAC | 125.6° | 125.3° |
| NAG | CAL | OAC | 124.4° | 125.2° |
| CAL | NAG | H7 | 126.6° | 126.2° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAH | CAJ | OAB | 1.5° | 0.1° |
| CAA | OAH | CAJ | CAK | 172.7° | 179.9° |
| OAH | CAA | H1 | H2 | 120.0° | 120.0° |
| OAH | CAA | H1 | H3 | 120.0° | 120.0° |
| OAH | CAA | H2 | H3 | 120.0° | 120.0° |
| OAH | CAJ | OAB | CAK | 173.6° | 180.0° |
| OAH | CAJ | CAK | CAD | 6.0° | 0.0° |
| OAH | CAJ | CAK | CAF | 172.7° | 180.0° |
| CAJ | OAH | CAA | H1 | 180.0° | 180.0° |
| CAJ | OAH | CAA | H2 | 60.0° | 59.9° |
| CAJ | OAH | CAA | H3 | 60.0° | 60.1° |
| OAB | CAJ | CAK | CAD | 179.7° | 180.0° |
| OAB | CAJ | CAK | CAF | 1.6° | 0.0° |
| CAJ | CAK | CAD | CAF | 178.8° | 180.0° |
| CAJ | CAK | CAD | CAE | 179.1° | 179.9° |
| CAJ | CAK | CAF | CAN | 178.9° | 179.5° |
| CAJ | CAK | CAD | H4 | 0.9° | 0.3° |
| CAJ | CAK | CAF | H6 | 1.1° | 0.3° |
| CAK | CAD | CAE | H4 | 180.0° | 179.7° |
| CAD | CAK | CAF | CAN | 0.2° | 0.5° |
| CAK | CAD | CAE | CAM | 0.1° | 0.3° |
| CAK | CAD | CAE | H5 | 179.9° | 179.7° |
| CAD | CAK | CAF | H6 | 179.8° | 179.8° |
| CAF | CAK | CAD | CAE | 0.3° | 0.0° |
| CAK | CAF | CAN | H6 | 180.0° | 179.3° |
| CAK | CAF | CAN | CAM | 0.1° | 0.8° |
| CAK | CAF | CAN | OAI | 180.0° | 180.0° |
| CAF | CAK | CAD | H4 | 179.7° | 179.7° |
| CAD | CAE | CAM | H5 | 180.0° | 180.0° |
| CAD | CAE | CAM | CAN | 0.2° | 0.0° |
| CAD | CAE | CAM | NAG | 179.8° | 180.0° |
| CAF | CAN | CAM | CAE | 0.3° | 0.5° |
| CAF | CAN | CAM | OAI | 179.9° | 179.4° |
| CAF | CAN | CAM | NAG | 180.0° | 179.5° |
| CAF | CAN | OAI | CAL | 179.9° | 179.5° |
| CAE | CAM | CAN | NAG | 179.7° | 180.0° |
| CAE | CAM | CAN | OAI | 179.8° | 179.9° |
| CAE | CAM | NAG | CAL | 179.8° | 180.0° |
| CAM | CAE | CAD | H4 | 179.8° | 180.0° |
| CAE | CAM | NAG | H7 | 0.2° | 0.0° |
| CAM | CAN | OAI | CAL | 0.1° | 0.2° |
| CAN | CAM | NAG | CAL | 0.2° | 0.0° |
| CAN | CAM | CAE | H5 | 179.8° | 180.0° |
| CAM | CAN | CAF | H6 | 179.9° | 180.0° |
| CAN | CAM | NAG | H7 | 179.8° | 179.9° |
| OAI | CAN | CAM | NAG | 0.2° | 0.1° |
| CAN | OAI | CAL | NAG | 0.0° | 0.2° |
| CAN | OAI | CAL | OAC | 179.9° | 180.0° |
| OAI | CAN | CAF | H6 | 0.0° | 0.7° |
| CAM | NAG | CAL | OAI | 0.1° | 0.1° |
| CAM | NAG | CAL | H7 | 180.0° | 180.0° |
| CAM | NAG | CAL | OAC | 179.8° | 179.9° |
| NAG | CAM | CAE | H5 | 0.3° | 0.0° |
| OAI | CAL | NAG | OAC | 180.0° | 179.8° |
| OAI | CAL | NAG | H7 | 179.9° | 179.8° |
| OAC | CAL | NAG | H7 | 0.2° | 0.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H4 | CAD | CAE | H5 | 0.2° | 0.0° |
