8MR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | OAH | sing | 1.43Å | 1.43Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| CAI | HAI3 | sing | 1.09Å | 1.10Å | |
| OAH | CAG | sing | 1.36Å | 1.36Å | |
| CAG | CAF | sing | 1.40Å | 1.39Å | Aromatic |
| CAG | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
| CAQ | CAP | sing | 1.39Å | 1.39Å | Aromatic |
| CAQ | HAQ | sing | 1.09Å | 1.08Å | |
| CAP | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAP | HAP | sing | 1.09Å | 1.08Å | |
| CAF | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.09Å | 1.08Å | |
| CAE | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.09Å | 1.08Å | |
| CAO | SAN | sing | 1.77Å | 1.75Å | |
| SAN | CAM | sing | 1.78Å | 1.83Å | |
| SAN | OAS | doub | 1.45Å | 1.50Å | |
| SAN | OAD | doub | 1.45Å | 1.50Å | |
| CAM | CAL | sing | 1.53Å | 1.53Å | |
| CAM | CAB | sing | 1.52Å | 1.53Å | |
| CAM | HAM | sing | 1.10Å | 1.10Å | |
| CAB | FB | sing | 1.36Å | 1.39Å | |
| CAB | FA | sing | 1.36Å | 1.39Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAL | CAK | sing | 1.51Å | 1.53Å | |
| CAL | HAL1 | sing | 1.10Å | 1.10Å | |
| CAL | HAL2 | sing | 1.10Å | 1.10Å | |
| CAK | OAR | doub | 1.22Å | 1.25Å | |
| CAK | OAJ | sing | 1.36Å | 1.25Å | |
| OAJ | HOAJ | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAH | CAI | HAI1 | 109.5° | 109.5° |
| OAH | CAI | HAI2 | 109.5° | 109.5° |
| OAH | CAI | HAI3 | 109.4° | 109.0° |
| CAI | OAH | CAG | 109.8° | 117.1° |
| HAI1 | CAI | HAI2 | 109.4° | 110.0° |
| HAI1 | CAI | HAI3 | 109.5° | 109.4° |
| HAI2 | CAI | HAI3 | 109.5° | 109.3° |
| OAH | CAG | CAF | 120.0° | 120.0° |
| OAH | CAG | CAQ | 120.2° | 120.0° |
| CAF | CAG | CAQ | 119.8° | 120.0° |
| CAG | CAF | CAE | 120.0° | 120.0° |
| CAG | CAF | HAF | 120.0° | 120.3° |
| CAG | CAQ | CAP | 120.2° | 120.0° |
| CAG | CAQ | HAQ | 119.9° | 120.3° |
| CAP | CAQ | HAQ | 119.9° | 119.6° |
| CAQ | CAP | CAO | 120.0° | 119.3° |
| CAQ | CAP | HAP | 120.0° | 119.4° |
| CAO | CAP | HAP | 120.0° | 121.2° |
| CAP | CAO | CAE | 119.7° | 121.3° |
| CAP | CAO | SAN | 120.8° | 119.4° |
| CAE | CAF | HAF | 120.0° | 119.7° |
| CAF | CAE | CAO | 120.3° | 119.4° |
| CAF | CAE | HAE | 119.8° | 119.4° |
| CAO | CAE | HAE | 119.9° | 121.3° |
| CAE | CAO | SAN | 119.4° | 119.3° |
| CAO | SAN | CAM | 107.8° | 103.6° |
| CAO | SAN | OAS | 110.3° | 107.4° |
| CAO | SAN | OAD | 109.6° | 108.3° |
| CAM | SAN | OAS | 109.7° | 108.2° |
| CAM | SAN | OAD | 110.5° | 107.3° |
| SAN | CAM | CAL | 111.7° | 109.6° |
| SAN | CAM | CAB | 111.8° | 109.3° |
| SAN | CAM | HAM | 106.8° | 105.5° |
| OAS | SAN | OAD | 108.9° | 120.8° |
| CAL | CAM | CAB | 111.0° | 113.1° |
| CAL | CAM | HAM | 107.6° | 110.0° |
| CAM | CAL | CAK | 111.1° | 113.4° |
| CAM | CAL | HAL1 | 109.0° | 109.7° |
| CAM | CAL | HAL2 | 108.6° | 110.1° |
| CAB | CAM | HAM | 107.6° | 109.1° |
| CAM | CAB | FB | 110.3° | 110.4° |
| CAM | CAB | FA | 110.6° | 110.5° |
| CAM | CAB | HAB | 107.9° | 112.4° |
| FB | CAB | FA | 108.5° | 106.7° |
| FB | CAB | HAB | 109.9° | 108.4° |
| FA | CAB | HAB | 109.6° | 108.3° |
| CAK | CAL | HAL1 | 108.9° | 109.2° |
| CAK | CAL | HAL2 | 108.6° | 106.6° |
| CAL | CAK | OAR | 117.2° | 125.4° |
| CAL | CAK | OAJ | 116.9° | 111.6° |
| HAL1 | CAL | HAL2 | 110.7° | 107.7° |
| OAR | CAK | OAJ | 125.9° | 123.0° |
| CAK | OAJ | HOAJ | 109.5° | 115.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAH | CAI | HAI1 | HAI2 | 120.0° | 120.5° |
| OAH | CAI | HAI1 | HAI3 | 120.0° | 119.4° |
| OAH | CAI | HAI2 | HAI3 | 120.0° | 119.4° |
| CAI | OAH | CAG | CAF | 87.2° | 180.0° |
| CAI | OAH | CAG | CAQ | 93.9° | 0.0° |
| HAI1 | CAI | HAI2 | HAI3 | 120.0° | 120.1° |
| HAI1 | CAI | OAH | CAG | 92.7° | 126.8° |
| HAI2 | CAI | OAH | CAG | 27.3° | 6.0° |
| HAI3 | CAI | OAH | CAG | 147.3° | 113.5° |
| OAH | CAG | CAF | CAQ | 178.9° | 179.9° |
| OAH | CAG | CAQ | CAP | 178.7° | 180.0° |
| OAH | CAG | CAQ | HAQ | 1.3° | 0.1° |
| OAH | CAG | CAF | CAE | 178.6° | 180.0° |
| OAH | CAG | CAF | HAF | 1.4° | 0.0° |
| CAF | CAG | CAQ | CAP | 0.2° | 0.1° |
| CAF | CAG | CAQ | HAQ | 179.8° | 180.0° |
| CAG | CAF | CAE | HAF | 180.0° | 180.0° |
| CAG | CAF | CAE | CAO | 0.1° | 0.0° |
| CAG | CAF | CAE | HAE | 179.9° | 180.0° |
| CAG | CAQ | CAP | HAQ | 180.0° | 179.9° |
| CAG | CAQ | CAP | CAO | 0.1° | 0.1° |
| CAG | CAQ | CAP | HAP | 179.9° | 179.9° |
| CAQ | CAG | CAF | CAE | 0.3° | 0.0° |
| CAQ | CAG | CAF | HAF | 179.7° | 180.0° |
| CAQ | CAP | CAO | HAP | 180.0° | 180.0° |
| CAQ | CAP | CAO | CAE | 0.3° | 0.0° |
| CAQ | CAP | CAO | SAN | 178.6° | 179.9° |
| HAQ | CAQ | CAP | CAO | 179.9° | 180.0° |
| HAQ | CAQ | CAP | HAP | 0.1° | 0.1° |
| CAP | CAO | CAE | CAF | 0.2° | 0.0° |
| CAP | CAO | CAE | SAN | 179.0° | 179.9° |
| CAP | CAO | CAE | HAE | 179.7° | 180.0° |
| CAP | CAO | SAN | CAM | 147.9° | 90.0° |
| CAP | CAO | SAN | OAS | 28.2° | 24.4° |
| CAP | CAO | SAN | OAD | 91.7° | 156.3° |
| HAP | CAP | CAO | CAE | 179.7° | 180.0° |
| HAP | CAP | CAO | SAN | 1.4° | 0.1° |
| CAF | CAE | CAO | HAE | 180.0° | 180.0° |
| CAF | CAE | CAO | SAN | 178.8° | 179.9° |
| HAF | CAF | CAE | CAO | 179.9° | 180.0° |
| HAF | CAF | CAE | HAE | 0.1° | 0.0° |
| CAE | CAO | SAN | CAM | 31.1° | 90.1° |
| CAE | CAO | SAN | OAS | 150.8° | 155.6° |
| CAE | CAO | SAN | OAD | 89.3° | 23.6° |
| HAE | CAE | CAO | SAN | 1.3° | 0.1° |
| CAO | SAN | CAM | OAS | 120.1° | 113.7° |
| CAO | SAN | CAM | OAD | 119.8° | 114.4° |
| CAO | SAN | OAS | OAD | 120.3° | 124.7° |
| CAO | SAN | CAM | CAL | 102.2° | 58.4° |
| CAO | SAN | CAM | CAB | 132.7° | 177.2° |
| CAO | SAN | CAM | HAM | 15.3° | 60.0° |
| CAM | SAN | OAS | OAD | 121.1° | 124.1° |
| SAN | CAM | CAL | CAB | 125.6° | 122.2° |
| SAN | CAM | CAL | HAM | 116.9° | 115.6° |
| SAN | CAM | CAB | HAM | 116.9° | 114.9° |
| SAN | CAM | CAB | FB | 177.7° | 56.5° |
| SAN | CAM | CAB | FA | 62.2° | 61.3° |
| SAN | CAM | CAB | HAB | 57.7° | 177.6° |
| SAN | CAM | CAL | CAK | 66.8° | 175.6° |
| SAN | CAM | CAL | HAL1 | 53.2° | 62.1° |
| SAN | CAM | CAL | HAL2 | 173.9° | 56.3° |
| OAS | SAN | CAM | CAL | 17.9° | 172.1° |
| OAS | SAN | CAM | CAB | 107.2° | 63.4° |
| OAS | SAN | CAM | HAM | 135.4° | 53.7° |
| OAD | SAN | CAM | CAL | 138.0° | 56.0° |
| OAD | SAN | CAM | CAB | 12.8° | 68.4° |
| OAD | SAN | CAM | HAM | 104.6° | 174.4° |
| CAL | CAM | CAB | HAM | 117.5° | 122.7° |
| CAL | CAM | CAB | FB | 52.2° | 178.9° |
| CAL | CAM | CAB | FA | 172.3° | 61.1° |
| CAL | CAM | CAB | HAB | 67.9° | 60.0° |
| CAM | CAL | CAK | HAL1 | 120.0° | 122.6° |
| CAM | CAL | CAK | HAL2 | 119.3° | 121.3° |
| CAM | CAL | HAL1 | HAL2 | 119.4° | 119.8° |
| CAM | CAL | CAK | OAR | 142.7° | 27.4° |
| CAM | CAL | CAK | OAJ | 37.4° | 154.5° |
| CAM | CAB | FB | FA | 121.3° | 120.1° |
| CAM | CAB | FB | HAB | 118.8° | 123.4° |
| CAM | CAB | FA | HAB | 118.8° | 123.5° |
| CAB | CAM | CAL | CAK | 167.6° | 62.2° |
| CAB | CAM | CAL | HAL1 | 72.4° | 60.1° |
| CAB | CAM | CAL | HAL2 | 48.3° | 178.5° |
| HAM | CAM | CAB | FB | 65.3° | 58.4° |
| HAM | CAM | CAB | FA | 54.7° | 176.2° |
| HAM | CAM | CAB | HAB | 174.6° | 62.7° |
| HAM | CAM | CAL | CAK | 50.1° | 60.0° |
| HAM | CAM | CAL | HAL1 | 170.1° | 177.7° |
| HAM | CAM | CAL | HAL2 | 69.2° | 59.3° |
| FB | CAB | FA | HAB | 120.1° | 116.5° |
| CAK | CAL | HAL1 | HAL2 | 119.3° | 115.4° |
| CAL | CAK | OAR | OAJ | 179.9° | 177.9° |
| CAL | CAK | OAJ | HOAJ | 179.9° | 178.2° |
| HAL1 | CAL | CAK | OAR | 22.7° | 150.0° |
| HAL1 | CAL | CAK | OAJ | 157.5° | 31.8° |
| HAL2 | CAL | CAK | OAR | 98.0° | 93.8° |
| HAL2 | CAL | CAK | OAJ | 81.9° | 84.3° |
| OAR | CAK | OAJ | HOAJ | 0.0° | 0.0° |
