0V8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | SAO | doub | 1.42Å | 1.49Å | |
| OAC | SAO | doub | 1.42Å | 1.47Å | |
| SAO | OAA | sing | 1.52Å | 1.46Å | |
| SAO | CAJ | sing | 1.81Å | 1.78Å | |
| CAJ | CAI | sing | 1.53Å | 1.53Å | |
| CAI | NAL | sing | 1.47Å | 1.47Å | |
| NAL | CAK | sing | 1.47Å | 1.47Å | |
| CAK | CAN | sing | 1.51Å | 1.52Å | |
| CAN | CAG | doub | 1.38Å | 1.41Å | Aromatic |
| CAN | CAH | sing | 1.38Å | 1.38Å | Aromatic |
| CAG | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAF | doub | 1.38Å | 1.41Å | Aromatic |
| CAM | CAF | sing | 1.38Å | 1.38Å | Aromatic |
| CAM | BR | sing | 1.89Å | 1.95Å | |
| CAE | H1 | sing | 1.08Å | 1.08Å | |
| CAF | H2 | sing | 1.08Å | 1.08Å | |
| CAG | H3 | sing | 1.08Å | 1.08Å | |
| CAH | H4 | sing | 1.08Å | 1.08Å | |
| CAI | H5 | sing | 1.09Å | 1.10Å | |
| CAI | H6 | sing | 1.09Å | 1.10Å | |
| CAJ | H7 | sing | 1.09Å | 1.10Å | |
| CAJ | H8 | sing | 1.09Å | 1.10Å | |
| CAK | H9 | sing | 1.09Å | 1.10Å | |
| CAK | H10 | sing | 1.09Å | 1.10Å | |
| NAL | H11 | sing | 1.01Å | 1.00Å | |
| OAA | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | SAO | OAC | 108.8° | 121.0° |
| OAB | SAO | OAA | 111.4° | 104.2° |
| OAB | SAO | CAJ | 109.0° | 110.5° |
| OAC | SAO | OAA | 110.1° | 104.3° |
| OAC | SAO | CAJ | 111.4° | 110.6° |
| OAA | SAO | CAJ | 106.1° | 104.4° |
| SAO | OAA | H12 | 109.5° | 114.0° |
| SAO | CAJ | CAI | 115.2° | 109.4° |
| SAO | CAJ | H7 | 108.0° | 109.4° |
| SAO | CAJ | H8 | 108.0° | 109.5° |
| CAJ | CAI | NAL | 114.5° | 109.4° |
| CAJ | CAI | H5 | 108.2° | 109.5° |
| CAJ | CAI | H6 | 108.2° | 109.5° |
| CAI | CAJ | H7 | 108.0° | 109.5° |
| CAI | CAJ | H8 | 108.0° | 109.4° |
| CAI | NAL | CAK | 111.8° | 111.0° |
| NAL | CAI | H5 | 108.2° | 109.4° |
| NAL | CAI | H6 | 108.2° | 109.5° |
| CAI | NAL | H11 | 108.9° | 111.0° |
| NAL | CAK | CAN | 111.0° | 109.5° |
| NAL | CAK | H9 | 109.1° | 109.5° |
| NAL | CAK | H10 | 109.1° | 109.5° |
| CAK | NAL | H11 | 108.9° | 111.0° |
| CAK | CAN | CAG | 121.5° | 120.0° |
| CAK | CAN | CAH | 117.6° | 120.0° |
| CAN | CAK | H9 | 109.1° | 109.5° |
| CAN | CAK | H10 | 109.1° | 109.4° |
| CAG | CAN | CAH | 120.9° | 120.0° |
| CAN | CAG | CAE | 119.4° | 120.1° |
| CAN | CAG | H3 | 120.3° | 120.0° |
| CAN | CAH | CAM | 119.4° | 120.0° |
| CAN | CAH | H4 | 120.3° | 120.0° |
| CAG | CAE | CAF | 119.4° | 119.9° |
| CAG | CAE | H1 | 120.3° | 120.0° |
| CAE | CAG | H3 | 120.3° | 119.9° |
| CAH | CAM | CAF | 120.3° | 120.0° |
| CAH | CAM | BR | 118.5° | 120.0° |
| CAM | CAH | H4 | 120.3° | 120.0° |
| CAE | CAF | CAM | 120.5° | 120.0° |
| CAF | CAE | H1 | 120.3° | 120.0° |
| CAE | CAF | H2 | 119.8° | 120.0° |
| CAF | CAM | BR | 121.2° | 120.0° |
| CAM | CAF | H2 | 119.7° | 120.0° |
| H5 | CAI | H6 | 109.5° | 109.5° |
| H7 | CAJ | H8 | 109.5° | 109.5° |
| H9 | CAK | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | SAO | OAC | OAA | 122.4° | 116.7° |
| OAB | SAO | OAC | CAJ | 120.1° | 131.5° |
| OAB | SAO | OAA | CAJ | 118.5° | 116.1° |
| OAB | SAO | CAJ | CAI | 60.0° | 68.4° |
| OAB | SAO | CAJ | H7 | 179.2° | 171.6° |
| OAB | SAO | CAJ | H8 | 60.8° | 51.6° |
| OAB | SAO | OAA | H12 | 120.8° | 63.9° |
| OAC | SAO | OAA | CAJ | 120.7° | 116.1° |
| OAC | SAO | CAJ | CAI | 180.0° | 68.4° |
| OAC | SAO | CAJ | H7 | 59.1° | 51.6° |
| OAC | SAO | CAJ | H8 | 59.2° | 171.7° |
| OAC | SAO | OAA | H12 | 0.0° | 63.9° |
| OAA | SAO | CAJ | CAI | 60.1° | 180.0° |
| OAA | SAO | CAJ | H7 | 60.8° | 60.1° |
| OAA | SAO | CAJ | H8 | 179.1° | 60.0° |
| SAO | CAJ | CAI | H7 | 120.8° | 120.0° |
| SAO | CAJ | CAI | H8 | 120.8° | 120.0° |
| SAO | CAJ | CAI | NAL | 162.2° | 180.0° |
| SAO | CAJ | CAI | H5 | 77.0° | 60.1° |
| SAO | CAJ | CAI | H6 | 41.5° | 60.0° |
| SAO | CAJ | H7 | H8 | 117.4° | 120.1° |
| CAJ | SAO | OAA | H12 | 120.7° | 180.0° |
| CAJ | CAI | NAL | H5 | 120.7° | 120.0° |
| CAJ | CAI | NAL | H6 | 120.7° | 120.0° |
| CAJ | CAI | NAL | CAK | 171.2° | 180.0° |
| CAJ | CAI | H5 | H6 | 117.7° | 120.1° |
| CAI | CAJ | H7 | H8 | 117.4° | 120.0° |
| CAJ | CAI | NAL | H11 | 68.5° | 56.1° |
| CAI | NAL | CAK | H11 | 120.4° | 124.0° |
| CAI | NAL | CAK | CAN | 157.6° | 180.0° |
| NAL | CAI | H5 | H6 | 117.7° | 120.0° |
| NAL | CAI | CAJ | H7 | 41.4° | 60.0° |
| NAL | CAI | CAJ | H8 | 76.9° | 60.0° |
| CAI | NAL | CAK | H9 | 82.2° | 60.0° |
| CAI | NAL | CAK | H10 | 37.3° | 60.0° |
| NAL | CAK | CAN | H9 | 120.3° | 120.0° |
| NAL | CAK | CAN | H10 | 120.2° | 120.0° |
| NAL | CAK | CAN | CAG | 109.9° | 90.0° |
| NAL | CAK | CAN | CAH | 67.8° | 89.5° |
| CAK | NAL | CAI | H5 | 50.4° | 60.0° |
| CAK | NAL | CAI | H6 | 68.1° | 60.0° |
| NAL | CAK | H9 | H10 | 119.3° | 120.0° |
| CAK | CAN | CAG | CAH | 177.6° | 179.5° |
| CAK | CAN | CAG | CAE | 179.0° | 180.0° |
| CAK | CAN | CAH | CAM | 178.7° | 179.8° |
| CAK | CAN | CAG | H3 | 1.0° | 0.1° |
| CAK | CAN | CAH | H4 | 1.3° | 0.2° |
| CAN | CAK | H9 | H10 | 119.3° | 120.0° |
| CAN | CAK | NAL | H11 | 37.2° | 56.1° |
| CAN | CAG | CAE | H3 | 180.0° | 179.9° |
| CAG | CAN | CAH | CAM | 1.0° | 0.7° |
| CAN | CAG | CAE | CAF | 0.9° | 0.0° |
| CAN | CAG | CAE | H1 | 179.1° | 179.7° |
| CAG | CAN | CAH | H4 | 179.0° | 179.7° |
| CAG | CAN | CAK | H9 | 10.4° | 150.0° |
| CAG | CAN | CAK | H10 | 129.9° | 30.0° |
| CAH | CAN | CAG | CAE | 1.4° | 0.5° |
| CAN | CAH | CAM | H4 | 180.0° | 179.6° |
| CAN | CAH | CAM | CAF | 0.1° | 0.5° |
| CAN | CAH | CAM | BR | 179.2° | 180.0° |
| CAH | CAN | CAG | H3 | 178.6° | 179.6° |
| CAH | CAN | CAK | H9 | 171.9° | 30.5° |
| CAH | CAN | CAK | H10 | 52.4° | 150.5° |
| CAG | CAE | CAF | H1 | 180.0° | 179.7° |
| CAG | CAE | CAF | CAM | 0.0° | 0.3° |
| CAG | CAE | CAF | H2 | 179.9° | 179.8° |
| CAH | CAM | CAF | CAE | 0.3° | 0.0° |
| CAH | CAM | CAF | BR | 179.4° | 179.5° |
| CAH | CAM | CAF | H2 | 179.7° | 180.0° |
| CAE | CAF | CAM | H2 | 180.0° | 179.9° |
| CAE | CAF | CAM | BR | 179.7° | 179.5° |
| CAF | CAE | CAG | H3 | 179.1° | 179.9° |
| CAM | CAF | CAE | H1 | 180.0° | 180.0° |
| CAF | CAM | CAH | H4 | 179.9° | 180.0° |
| BR | CAM | CAF | H2 | 0.3° | 0.5° |
| BR | CAM | CAH | H4 | 0.8° | 0.5° |
| H1 | CAE | CAF | H2 | 0.0° | 0.1° |
| H1 | CAE | CAG | H3 | 0.9° | 0.2° |
| H5 | CAI | CAJ | H7 | 162.2° | 59.9° |
| H5 | CAI | CAJ | H8 | 43.8° | 179.9° |
| H5 | CAI | NAL | H11 | 170.8° | 176.0° |
| H6 | CAI | CAJ | H7 | 79.3° | 180.0° |
| H6 | CAI | CAJ | H8 | 162.4° | 60.0° |
| H6 | CAI | NAL | H11 | 52.3° | 63.9° |
| H9 | CAK | NAL | H11 | 157.5° | 63.9° |
| H10 | CAK | NAL | H11 | 83.0° | 176.0° |
