3M2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | NAR | sing | 1.47Å | 1.44Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| NAB | CAO | sing | 1.37Å | 1.34Å | |
| NAB | HNAB | sing | 0.97Å | 1.00Å | |
| NAB | HNAA | sing | 0.97Å | 1.00Å | |
| CAP | OAC | doub | 1.22Å | 1.24Å | |
| OAD | CAK | sing | 1.36Å | 1.37Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| BRAE | CAM | sing | 1.89Å | 1.89Å | |
| CAN | BRAF | sing | 1.89Å | 1.87Å | |
| CAL | CAG | sing | 1.47Å | 1.43Å | |
| CAG | CAQ | doub | 1.36Å | 1.41Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAM | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | CAL | sing | 1.40Å | 1.38Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAN | CAI | sing | 1.38Å | 1.41Å | Aromatic |
| CAI | CAL | doub | 1.40Å | 1.41Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAO | NAJ | doub | 1.32Å | 1.34Å | |
| CAP | NAJ | sing | 1.34Å | 1.36Å | |
| CAK | CAM | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | CAN | doub | 1.39Å | 1.39Å | Aromatic |
| NAR | CAO | sing | 1.36Å | 1.34Å | |
| CAQ | CAP | sing | 1.47Å | 1.39Å | |
| NAR | CAQ | sing | 1.40Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAR | CAA | HAA | 109.5° | 109.5° |
| NAR | CAA | HAAA | 109.5° | 109.5° |
| NAR | CAA | HAAB | 109.5° | 109.4° |
| CAA | NAR | CAO | 126.9° | 126.4° |
| CAA | NAR | CAQ | 122.6° | 126.3° |
| HAA | CAA | HAAA | 109.5° | 109.4° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.4° | 109.5° |
| CAO | NAB | HNAB | 120.0° | 120.0° |
| CAO | NAB | HNAA | 120.0° | 120.0° |
| NAB | CAO | NAJ | 125.2° | 124.4° |
| NAB | CAO | NAR | 125.1° | 124.5° |
| HNAB | NAB | HNAA | 120.0° | 120.0° |
| OAC | CAP | NAJ | 124.4° | 126.8° |
| OAC | CAP | CAQ | 124.8° | 126.9° |
| CAK | OAD | HOAD | 109.5° | 114.0° |
| OAD | CAK | CAM | 119.1° | 119.8° |
| OAD | CAK | CAN | 123.6° | 119.9° |
| BRAE | CAM | CAH | 121.5° | 119.9° |
| BRAE | CAM | CAK | 116.5° | 119.9° |
| BRAF | CAN | CAI | 120.4° | 119.9° |
| BRAF | CAN | CAK | 118.8° | 120.0° |
| CAL | CAG | CAQ | 134.1° | 120.0° |
| CAL | CAG | HAG | 113.0° | 120.0° |
| CAG | CAL | CAH | 123.6° | 120.1° |
| CAG | CAL | CAI | 120.2° | 120.1° |
| CAQ | CAG | HAG | 113.0° | 120.0° |
| CAG | CAQ | CAP | 123.1° | 127.6° |
| CAG | CAQ | NAR | 133.0° | 127.6° |
| CAM | CAH | CAL | 121.8° | 119.9° |
| CAM | CAH | HAH | 119.1° | 120.1° |
| CAH | CAM | CAK | 122.0° | 120.1° |
| CAL | CAH | HAH | 119.1° | 120.1° |
| CAH | CAL | CAI | 116.2° | 119.8° |
| CAN | CAI | CAL | 122.0° | 119.9° |
| CAN | CAI | HAI | 119.0° | 120.1° |
| CAI | CAN | CAK | 120.7° | 120.1° |
| CAL | CAI | HAI | 119.0° | 120.0° |
| CAO | NAJ | CAP | 105.3° | 110.5° |
| NAJ | CAO | NAR | 109.6° | 111.2° |
| NAJ | CAP | CAQ | 110.8° | 106.3° |
| CAM | CAK | CAN | 117.3° | 120.2° |
| CAO | NAR | CAQ | 110.4° | 107.3° |
| CAP | CAQ | NAR | 103.9° | 104.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAR | CAA | HAA | HAAA | 120.0° | 120.1° |
| NAR | CAA | HAA | HAAB | 120.0° | 120.0° |
| NAR | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | NAR | CAO | NAB | 3.3° | 0.0° |
| CAA | NAR | CAQ | CAG | 0.1° | 0.0° |
| CAA | NAR | CAO | NAJ | 178.5° | 179.9° |
| CAA | NAR | CAO | CAQ | 177.2° | 180.0° |
| CAA | NAR | CAQ | CAP | 178.2° | 179.9° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | NAR | CAO | 180.0° | 22.9° |
| HAA | CAA | NAR | CAQ | 3.1° | 157.0° |
| HAAA | CAA | NAR | CAO | 60.0° | 142.9° |
| HAAA | CAA | NAR | CAQ | 123.1° | 37.0° |
| HAAB | CAA | NAR | CAO | 60.0° | 97.0° |
| HAAB | CAA | NAR | CAQ | 116.9° | 83.0° |
| CAO | NAB | HNAB | HNAA | 180.0° | 180.0° |
| NAB | CAO | NAJ | NAR | 178.2° | 179.9° |
| NAB | CAO | NAJ | CAP | 179.4° | 180.0° |
| NAB | CAO | NAR | CAQ | 179.5° | 180.0° |
| HNAB | NAB | CAO | NAJ | 0.0° | 0.1° |
| HNAB | NAB | CAO | NAR | 177.9° | 180.0° |
| HNAA | NAB | CAO | NAJ | 180.0° | 180.0° |
| HNAA | NAB | CAO | NAR | 2.1° | 0.0° |
| OAC | CAP | CAQ | CAG | 4.1° | 0.1° |
| OAC | CAP | NAJ | CAO | 178.2° | 179.9° |
| OAC | CAP | NAJ | CAQ | 177.5° | 180.0° |
| OAC | CAP | CAQ | NAR | 177.4° | 180.0° |
| OAD | CAK | CAM | BRAE | 3.6° | 0.1° |
| OAD | CAK | CAN | BRAF | 5.3° | 0.0° |
| OAD | CAK | CAM | CAH | 177.8° | 180.0° |
| OAD | CAK | CAN | CAI | 178.0° | 179.7° |
| OAD | CAK | CAM | CAN | 178.2° | 179.4° |
| HOAD | OAD | CAK | CAM | 180.0° | 90.0° |
| HOAD | OAD | CAK | CAN | 1.9° | 89.4° |
| BRAE | CAM | CAH | CAK | 178.5° | 180.0° |
| BRAE | CAM | CAH | CAL | 177.6° | 180.0° |
| BRAE | CAM | CAH | HAH | 2.5° | 0.3° |
| BRAE | CAM | CAK | CAN | 178.1° | 179.4° |
| BRAF | CAN | CAI | CAK | 176.7° | 179.7° |
| BRAF | CAN | CAI | CAL | 176.4° | 179.8° |
| BRAF | CAN | CAI | HAI | 3.6° | 0.3° |
| BRAF | CAN | CAK | CAM | 176.6° | 179.5° |
| CAL | CAG | CAQ | HAG | 180.0° | 179.9° |
| CAG | CAL | CAH | CAM | 177.6° | 179.7° |
| CAG | CAL | CAH | CAI | 178.6° | 180.0° |
| CAG | CAL | CAH | HAH | 2.5° | 0.0° |
| CAG | CAL | CAI | CAN | 177.9° | 180.0° |
| CAG | CAL | CAI | HAI | 2.1° | 0.0° |
| CAL | CAG | CAQ | CAP | 172.8° | 170.6° |
| CAL | CAG | CAQ | NAR | 9.1° | 9.4° |
| CAQ | CAG | CAL | CAH | 36.8° | 92.2° |
| CAQ | CAG | CAL | CAI | 144.7° | 87.8° |
| CAG | CAQ | CAP | NAJ | 178.5° | 180.0° |
| CAG | CAQ | NAR | CAO | 177.5° | 180.0° |
| CAG | CAQ | CAP | NAR | 178.6° | 180.0° |
| HAG | CAG | CAL | CAH | 143.2° | 87.7° |
| HAG | CAG | CAL | CAI | 35.3° | 92.3° |
| HAG | CAG | CAQ | CAP | 7.2° | 9.3° |
| HAG | CAG | CAQ | NAR | 170.9° | 170.6° |
| CAM | CAH | CAL | HAH | 180.0° | 179.7° |
| CAM | CAH | CAL | CAI | 1.1° | 0.3° |
| CAH | CAM | CAK | CAN | 0.5° | 0.6° |
| CAH | CAL | CAI | CAN | 0.8° | 0.0° |
| CAH | CAL | CAI | HAI | 179.2° | 180.0° |
| CAL | CAH | CAM | CAK | 1.0° | 0.0° |
| HAH | CAH | CAL | CAI | 178.9° | 180.0° |
| HAH | CAH | CAM | CAK | 179.0° | 179.7° |
| CAN | CAI | CAL | HAI | 180.0° | 180.0° |
| CAI | CAN | CAK | CAM | 0.2° | 0.9° |
| CAL | CAI | CAN | CAK | 0.3° | 0.6° |
| HAI | CAI | CAN | CAK | 179.7° | 179.4° |
| CAO | NAJ | CAP | CAQ | 0.7° | 0.0° |
| NAJ | CAO | NAR | CAQ | 1.3° | 0.1° |
| CAP | NAJ | CAO | NAR | 1.2° | 0.0° |
| NAJ | CAP | CAQ | NAR | 0.1° | 0.0° |
| CAO | NAR | CAQ | CAP | 0.9° | 0.0° |
