9C4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAI | sing | 1.34Å | 1.26Å | |
| CAI | OAB | doub | 1.21Å | 1.25Å | |
| CAI | CAN | sing | 1.51Å | 1.53Å | |
| CAN | OAG | sing | 1.43Å | 1.45Å | |
| CAN | CAH | sing | 1.53Å | 1.53Å | |
| CAN | CAM | sing | 1.53Å | 1.52Å | |
| CAH | CAJ | sing | 1.53Å | 1.54Å | |
| CAJ | OAC | sing | 1.43Å | 1.45Å | |
| CAJ | CAK | sing | 1.53Å | 1.52Å | |
| CAK | OAD | sing | 1.43Å | 1.42Å | |
| CAK | CAL | sing | 1.53Å | 1.51Å | |
| CAL | OAE | sing | 1.43Å | 1.44Å | |
| CAL | CAM | sing | 1.53Å | 1.53Å | |
| CAM | OAF | sing | 1.43Å | 1.44Å | |
| OAA | HAA | sing | 0.97Å | 0.95Å | |
| OAG | HAG | sing | 0.97Å | 0.95Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| OAD | HAD | sing | 0.97Å | 0.95Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| OAE | HAE | sing | 0.97Å | 0.95Å | |
| OAF | HAF | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAI | OAB | 125.5° | 120.0° |
| OAA | CAI | CAN | 117.1° | 120.0° |
| CAI | OAA | HAA | 109.5° | 117.0° |
| OAB | CAI | CAN | 117.4° | 120.0° |
| CAI | CAN | OAG | 108.9° | 109.5° |
| CAI | CAN | CAH | 110.6° | 109.4° |
| CAI | CAN | CAM | 108.2° | 109.4° |
| OAG | CAN | CAH | 110.6° | 109.5° |
| OAG | CAN | CAM | 109.0° | 109.5° |
| CAN | OAG | HAG | 109.5° | 114.0° |
| CAH | CAN | CAM | 109.5° | 109.5° |
| CAN | CAH | CAJ | 110.2° | 109.4° |
| CAN | CAH | HAH1 | 109.3° | 109.5° |
| CAN | CAH | HAH2 | 109.3° | 109.5° |
| CAN | CAM | CAL | 112.1° | 109.4° |
| CAN | CAM | OAF | 109.4° | 109.4° |
| CAN | CAM | HAM | 109.0° | 109.5° |
| CAH | CAJ | OAC | 111.2° | 109.5° |
| CAH | CAJ | CAK | 110.8° | 109.5° |
| CAJ | CAH | HAH1 | 109.3° | 109.5° |
| CAJ | CAH | HAH2 | 109.3° | 109.5° |
| CAH | CAJ | HAJ | 108.1° | 109.5° |
| OAC | CAJ | CAK | 109.0° | 109.4° |
| OAC | CAJ | HAJ | 109.3° | 109.4° |
| CAJ | OAC | HAC | 109.5° | 114.0° |
| CAJ | CAK | OAD | 109.4° | 109.5° |
| CAJ | CAK | CAL | 111.4° | 109.4° |
| CAK | CAJ | HAJ | 108.4° | 109.5° |
| CAJ | CAK | HAK | 109.3° | 109.4° |
| OAD | CAK | CAL | 106.7° | 109.5° |
| OAD | CAK | HAK | 110.7° | 109.5° |
| CAK | OAD | HAD | 109.5° | 114.0° |
| CAK | CAL | OAE | 107.4° | 109.5° |
| CAK | CAL | CAM | 113.2° | 109.5° |
| CAL | CAK | HAK | 109.5° | 109.4° |
| CAK | CAL | HAL | 109.0° | 109.4° |
| OAE | CAL | CAM | 108.5° | 109.5° |
| OAE | CAL | HAL | 109.9° | 109.5° |
| CAL | OAE | HAE | 109.5° | 114.0° |
| CAL | CAM | OAF | 107.6° | 109.5° |
| CAL | CAM | HAM | 108.8° | 109.5° |
| CAM | CAL | HAL | 108.7° | 109.5° |
| OAF | CAM | HAM | 110.1° | 109.5° |
| CAM | OAF | HAF | 109.5° | 114.0° |
| HAH1 | CAH | HAH2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAI | OAB | CAN | 178.1° | 180.0° |
| OAA | CAI | CAN | OAG | 16.6° | 35.0° |
| OAA | CAI | CAN | CAH | 138.3° | 85.0° |
| OAA | CAI | CAN | CAM | 101.7° | 155.0° |
| OAB | CAI | CAN | OAG | 161.6° | 145.0° |
| OAB | CAI | CAN | CAH | 39.9° | 95.0° |
| OAB | CAI | CAN | CAM | 80.0° | 25.0° |
| OAB | CAI | OAA | HAA | 0.0° | 0.0° |
| CAI | CAN | OAG | CAH | 121.7° | 120.0° |
| CAI | CAN | OAG | CAM | 117.8° | 120.0° |
| CAI | CAN | CAH | CAM | 119.2° | 119.9° |
| CAI | CAN | CAH | CAJ | 178.0° | 180.0° |
| CAI | CAN | CAM | CAL | 175.5° | 180.0° |
| CAI | CAN | CAM | OAF | 65.3° | 60.0° |
| CAN | CAI | OAA | HAA | 178.1° | 180.0° |
| CAI | CAN | OAG | HAG | 180.0° | 60.1° |
| CAI | CAN | CAH | HAH1 | 61.9° | 60.0° |
| CAI | CAN | CAH | HAH2 | 57.9° | 60.0° |
| CAI | CAN | CAM | HAM | 55.1° | 60.0° |
| OAG | CAN | CAH | CAM | 120.2° | 120.1° |
| OAG | CAN | CAH | CAJ | 61.3° | 60.0° |
| OAG | CAN | CAM | CAL | 66.2° | 60.0° |
| OAG | CAN | CAM | OAF | 53.0° | 59.9° |
| OAG | CAN | CAH | HAH1 | 58.8° | 60.0° |
| OAG | CAN | CAH | HAH2 | 178.6° | 180.0° |
| OAG | CAN | CAM | HAM | 173.3° | 180.0° |
| CAN | CAH | CAJ | HAH1 | 120.1° | 120.0° |
| CAN | CAH | CAJ | HAH2 | 120.1° | 120.0° |
| CAN | CAH | CAJ | OAC | 179.2° | 180.0° |
| CAN | CAH | CAJ | CAK | 59.4° | 60.0° |
| CAH | CAN | CAM | CAL | 54.9° | 60.0° |
| CAH | CAN | CAM | OAF | 174.1° | 180.0° |
| CAH | CAN | OAG | HAG | 58.3° | 59.9° |
| CAN | CAH | HAH1 | HAH2 | 119.7° | 120.0° |
| CAH | CAN | CAM | HAM | 65.5° | 59.9° |
| CAN | CAH | CAJ | HAJ | 59.2° | 60.0° |
| CAM | CAN | CAH | CAJ | 58.8° | 60.0° |
| CAN | CAM | CAL | CAK | 52.1° | 60.0° |
| CAN | CAM | CAL | OAE | 171.3° | 180.0° |
| CAN | CAM | CAL | OAF | 120.2° | 119.9° |
| CAN | CAM | CAL | HAM | 120.6° | 120.0° |
| CAN | CAM | OAF | HAM | 119.7° | 120.0° |
| CAM | CAN | OAG | HAG | 62.2° | 180.0° |
| CAM | CAN | CAH | HAH1 | 178.9° | 180.0° |
| CAM | CAN | CAH | HAH2 | 61.3° | 60.0° |
| CAN | CAM | CAL | HAL | 69.2° | 60.0° |
| CAN | CAM | OAF | HAF | 180.0° | 180.0° |
| CAH | CAJ | OAC | CAK | 122.5° | 120.1° |
| CAH | CAJ | OAC | HAJ | 119.3° | 120.0° |
| CAH | CAJ | CAK | HAJ | 118.5° | 120.0° |
| CAH | CAJ | CAK | OAD | 172.8° | 180.0° |
| CAH | CAJ | CAK | CAL | 55.2° | 60.0° |
| CAJ | CAH | HAH1 | HAH2 | 119.6° | 120.0° |
| CAH | CAJ | OAC | HAC | 180.0° | 180.0° |
| CAH | CAJ | CAK | HAK | 65.9° | 59.9° |
| OAC | CAJ | CAK | HAJ | 118.8° | 119.9° |
| OAC | CAJ | CAK | OAD | 64.5° | 60.0° |
| OAC | CAJ | CAK | CAL | 177.9° | 180.0° |
| OAC | CAJ | CAH | HAH1 | 59.0° | 60.0° |
| OAC | CAJ | CAH | HAH2 | 60.7° | 60.0° |
| OAC | CAJ | CAK | HAK | 56.8° | 60.1° |
| CAJ | CAK | OAD | CAL | 120.5° | 120.0° |
| CAJ | CAK | OAD | HAK | 120.4° | 120.0° |
| CAJ | CAK | CAL | HAK | 121.0° | 119.9° |
| CAJ | CAK | CAL | OAE | 171.4° | 180.0° |
| CAJ | CAK | CAL | CAM | 51.6° | 60.0° |
| CAK | CAJ | CAH | HAH1 | 179.6° | 180.0° |
| CAK | CAJ | CAH | HAH2 | 60.7° | 60.0° |
| CAK | CAJ | OAC | HAC | 57.5° | 60.0° |
| CAJ | CAK | OAD | HAD | 180.0° | 60.1° |
| CAJ | CAK | CAL | HAL | 69.5° | 60.0° |
| OAD | CAK | CAL | HAK | 119.8° | 120.1° |
| OAD | CAK | CAL | OAE | 69.4° | 60.0° |
| OAD | CAK | CAL | CAM | 170.8° | 180.0° |
| OAD | CAK | CAJ | HAJ | 54.4° | 60.0° |
| OAD | CAK | CAL | HAL | 49.7° | 60.0° |
| CAK | CAL | OAE | CAM | 122.7° | 120.0° |
| CAK | CAL | OAE | HAL | 118.5° | 120.0° |
| CAK | CAL | CAM | HAL | 121.3° | 120.0° |
| CAK | CAL | CAM | OAF | 172.4° | 179.9° |
| CAK | CAL | CAM | HAM | 68.5° | 60.0° |
| CAL | CAK | CAJ | HAJ | 63.3° | 60.1° |
| CAL | CAK | OAD | HAD | 59.5° | 179.9° |
| CAK | CAL | OAE | HAE | 180.0° | 60.0° |
| OAE | CAL | CAM | HAL | 119.5° | 120.0° |
| OAE | CAL | CAM | OAF | 68.5° | 60.0° |
| OAE | CAL | CAM | HAM | 50.7° | 60.1° |
| OAE | CAL | CAK | HAK | 50.4° | 60.1° |
| CAL | CAM | OAF | HAM | 118.3° | 120.1° |
| CAM | CAL | CAK | HAK | 69.4° | 60.0° |
| CAM | CAL | OAE | HAE | 57.2° | 180.0° |
| CAL | CAM | OAF | HAF | 58.1° | 60.0° |
| OAF | CAM | CAL | HAL | 51.1° | 60.0° |
| HAH1 | CAH | CAJ | HAJ | 60.9° | 59.9° |
| HAH2 | CAH | CAJ | HAJ | 179.3° | 180.0° |
| HAM | CAM | CAL | HAL | 170.2° | 179.9° |
| HAM | CAM | OAF | HAF | 60.3° | 60.0° |
| HAJ | CAJ | OAC | HAC | 60.7° | 60.0° |
| HAJ | CAJ | CAK | HAK | 175.7° | 179.9° |
| HAK | CAK | OAD | HAD | 59.5° | 60.0° |
| HAK | CAK | CAL | HAL | 169.5° | 180.0° |
| HAL | CAL | OAE | HAE | 61.5° | 60.0° |
