M3F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAM | sing | 1.51Å | 1.54Å | |
| OAB | CAO | doub | 1.22Å | 1.24Å | |
| FAC | CAT | sing | 1.40Å | 1.34Å | |
| FAD | CAT | sing | 1.40Å | 1.29Å | |
| FAE | CAT | sing | 1.40Å | 1.32Å | |
| CAF | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAH | sing | 1.37Å | 1.39Å | Aromatic |
| CAG | CAI | sing | 1.39Å | 1.42Å | Aromatic |
| CAH | CAP | doub | 1.40Å | 1.39Å | Aromatic |
| CAI | CAR | doub | 1.39Å | 1.38Å | Aromatic |
| CAJ | CAM | doub | 1.40Å | 1.40Å | Aromatic |
| CAJ | CAN | sing | 1.38Å | 1.38Å | Aromatic |
| NAK | CAN | doub | 1.31Å | 1.32Å | Aromatic |
| NAK | CAQ | sing | 1.33Å | 1.35Å | Aromatic |
| NAL | CAO | sing | 1.34Å | 1.34Å | |
| NAL | CAQ | sing | 1.38Å | 1.37Å | |
| CAM | CAS | sing | 1.39Å | 1.40Å | Aromatic |
| CAN | CAT | sing | 1.51Å | 1.54Å | |
| CAO | CAP | sing | 1.47Å | 1.40Å | |
| CAP | CAR | sing | 1.42Å | 1.41Å | Aromatic |
| CAQ | CAS | doub | 1.42Å | 1.40Å | Aromatic |
| CAR | CAS | sing | 1.48Å | 1.44Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.07Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| NAL | HNAL | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAM | CAJ | 116.0° | 114.6° |
| CAA | CAM | CAS | 125.5° | 126.0° |
| CAM | CAA | HAA | 109.5° | 109.5° |
| CAM | CAA | HAAA | 109.5° | 109.5° |
| CAM | CAA | HAAB | 109.5° | 109.4° |
| OAB | CAO | NAL | 118.2° | 120.4° |
| OAB | CAO | CAP | 123.1° | 119.8° |
| FAC | CAT | FAD | 107.9° | 109.5° |
| FAC | CAT | FAE | 110.1° | 109.5° |
| FAC | CAT | CAN | 109.6° | 109.5° |
| FAD | CAT | FAE | 111.6° | 109.5° |
| FAD | CAT | CAN | 107.5° | 109.5° |
| FAE | CAT | CAN | 109.9° | 109.4° |
| CAG | CAF | CAH | 118.4° | 119.1° |
| CAF | CAG | CAI | 120.5° | 121.0° |
| CAG | CAF | HAF | 120.8° | 120.4° |
| CAF | CAG | HAG | 119.8° | 119.9° |
| CAF | CAH | CAP | 120.2° | 120.2° |
| CAH | CAF | HAF | 120.8° | 120.4° |
| CAF | CAH | HAH | 119.9° | 120.1° |
| CAG | CAI | CAR | 121.6° | 121.7° |
| CAI | CAG | HAG | 119.8° | 119.0° |
| CAG | CAI | HAI | 119.2° | 113.8° |
| CAH | CAP | CAO | 116.0° | 118.5° |
| CAH | CAP | CAR | 122.9° | 121.5° |
| CAP | CAH | HAH | 119.9° | 119.7° |
| CAI | CAR | CAP | 116.3° | 116.4° |
| CAI | CAR | CAS | 124.7° | 125.6° |
| CAR | CAI | HAI | 119.2° | 124.4° |
| CAM | CAJ | CAN | 121.9° | 120.4° |
| CAJ | CAM | CAS | 118.5° | 119.3° |
| CAM | CAJ | HAJ | 119.0° | 118.9° |
| CAJ | CAN | NAK | 119.6° | 119.8° |
| CAJ | CAN | CAT | 124.4° | 120.1° |
| CAN | CAJ | HAJ | 119.1° | 120.6° |
| CAN | NAK | CAQ | 119.5° | 122.3° |
| NAK | CAN | CAT | 115.9° | 120.1° |
| NAK | CAQ | NAL | 113.3° | 115.8° |
| NAK | CAQ | CAS | 125.1° | 121.8° |
| CAO | NAL | CAQ | 122.7° | 122.1° |
| NAL | CAO | CAP | 118.6° | 119.8° |
| CAO | NAL | HNAL | 118.7° | 119.3° |
| NAL | CAQ | CAS | 121.6° | 122.3° |
| CAQ | NAL | HNAL | 118.7° | 118.6° |
| CAM | CAS | CAQ | 115.4° | 116.4° |
| CAM | CAS | CAR | 127.5° | 125.9° |
| CAO | CAP | CAR | 120.8° | 120.0° |
| CAP | CAR | CAS | 118.8° | 118.0° |
| CAQ | CAS | CAR | 117.1° | 117.8° |
| HAA | CAA | HAAA | 109.4° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAM | CAJ | CAS | 179.7° | 179.9° |
| CAA | CAM | CAJ | CAN | 179.9° | 180.0° |
| CAA | CAM | CAS | CAQ | 179.8° | 180.0° |
| CAA | CAM | CAS | CAR | 1.9° | 0.1° |
| CAM | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAM | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAM | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAM | CAJ | HAJ | 0.1° | 0.1° |
| OAB | CAO | CAP | CAH | 2.0° | 0.0° |
| OAB | CAO | NAL | CAP | 178.8° | 179.9° |
| OAB | CAO | NAL | CAQ | 179.4° | 180.0° |
| OAB | CAO | CAP | CAR | 176.2° | 180.0° |
| OAB | CAO | NAL | HNAL | 0.6° | 0.0° |
| FAC | CAT | FAD | FAE | 121.2° | 120.0° |
| FAC | CAT | FAD | CAN | 118.2° | 120.0° |
| FAC | CAT | FAE | CAN | 120.9° | 120.0° |
| FAC | CAT | CAN | CAJ | 125.2° | 90.0° |
| FAC | CAT | CAN | NAK | 54.7° | 90.0° |
| FAD | CAT | FAE | CAN | 119.2° | 120.0° |
| FAD | CAT | CAN | CAJ | 117.7° | 30.0° |
| FAD | CAT | CAN | NAK | 62.4° | 150.0° |
| FAE | CAT | CAN | CAJ | 4.0° | 150.0° |
| FAE | CAT | CAN | NAK | 175.9° | 30.0° |
| CAG | CAF | CAH | HAF | 180.0° | 179.9° |
| CAF | CAG | CAI | HAG | 180.0° | 180.0° |
| CAG | CAF | CAH | CAP | 2.0° | 0.0° |
| CAF | CAG | CAI | CAR | 0.8° | 0.0° |
| CAG | CAF | CAH | HAH | 178.0° | 180.0° |
| CAF | CAG | CAI | HAI | 179.2° | 180.0° |
| CAH | CAF | CAG | CAI | 0.6° | 0.0° |
| CAF | CAH | CAP | HAH | 180.0° | 180.0° |
| CAF | CAH | CAP | CAO | 177.8° | 180.0° |
| CAF | CAH | CAP | CAR | 3.7° | 0.0° |
| CAH | CAF | CAG | HAG | 179.4° | 180.0° |
| CAG | CAI | CAR | HAI | 180.0° | 179.9° |
| CAG | CAI | CAR | CAP | 2.2° | 0.0° |
| CAG | CAI | CAR | CAS | 176.4° | 180.0° |
| CAI | CAG | CAF | HAF | 179.4° | 179.9° |
| CAH | CAP | CAR | CAI | 3.6° | 0.0° |
| CAH | CAP | CAO | NAL | 179.3° | 179.9° |
| CAH | CAP | CAO | CAR | 174.2° | 180.0° |
| CAH | CAP | CAR | CAS | 178.2° | 180.0° |
| CAP | CAH | CAF | HAF | 178.0° | 179.9° |
| CAI | CAR | CAS | CAM | 1.3° | 0.1° |
| CAI | CAR | CAP | CAO | 177.5° | 180.0° |
| CAI | CAR | CAP | CAS | 174.6° | 180.0° |
| CAI | CAR | CAS | CAQ | 179.5° | 179.9° |
| CAR | CAI | CAG | HAG | 179.2° | 180.0° |
| CAM | CAJ | CAN | HAJ | 180.0° | 179.9° |
| CAM | CAJ | CAN | NAK | 0.1° | 0.0° |
| CAM | CAJ | CAN | CAT | 179.9° | 180.0° |
| CAJ | CAM | CAS | CAQ | 0.1° | 0.1° |
| CAJ | CAM | CAS | CAR | 178.4° | 180.0° |
| CAJ | CAM | CAA | HAA | 90.1° | 96.9° |
| CAJ | CAM | CAA | HAAA | 149.9° | 143.1° |
| CAJ | CAM | CAA | HAAB | 29.9° | 23.1° |
| CAJ | CAN | NAK | CAT | 179.9° | 180.0° |
| CAJ | CAN | NAK | CAQ | 0.2° | 0.0° |
| CAN | CAJ | CAM | CAS | 0.2° | 0.1° |
| CAN | NAK | CAQ | NAL | 179.3° | 180.0° |
| CAN | NAK | CAQ | CAS | 0.3° | 0.0° |
| NAK | CAN | CAJ | HAJ | 180.0° | 179.9° |
| NAK | CAQ | NAL | CAO | 178.8° | 179.9° |
| NAK | CAQ | NAL | CAS | 179.6° | 180.0° |
| NAK | CAQ | CAS | CAM | 0.1° | 0.0° |
| CAQ | NAK | CAN | CAT | 179.7° | 180.0° |
| NAK | CAQ | CAS | CAR | 178.3° | 180.0° |
| NAK | CAQ | NAL | HNAL | 1.2° | 0.0° |
| CAO | NAL | CAQ | HNAL | 180.0° | 179.9° |
| NAL | CAO | CAP | CAR | 5.0° | 0.1° |
| CAO | NAL | CAQ | CAS | 0.8° | 0.1° |
| NAL | CAQ | CAS | CAM | 179.4° | 180.0° |
| CAQ | NAL | CAO | CAP | 0.6° | 0.1° |
| NAL | CAQ | CAS | CAR | 2.2° | 0.0° |
| CAM | CAS | CAR | CAP | 175.4° | 179.9° |
| CAM | CAS | CAQ | CAR | 178.4° | 180.0° |
| CAS | CAM | CAA | HAA | 90.2° | 83.2° |
| CAS | CAM | CAA | HAAA | 29.8° | 36.8° |
| CAS | CAM | CAA | HAAB | 149.8° | 156.8° |
| CAS | CAM | CAJ | HAJ | 179.8° | 180.0° |
| CAT | CAN | CAJ | HAJ | 0.1° | 0.1° |
| CAO | CAP | CAR | CAS | 8.0° | 0.0° |
| CAO | CAP | CAH | HAH | 2.2° | 0.0° |
| CAP | CAO | NAL | HNAL | 179.4° | 180.0° |
| CAP | CAR | CAS | CAQ | 6.4° | 0.0° |
| CAR | CAP | CAH | HAH | 176.3° | 180.0° |
| CAP | CAR | CAI | HAI | 177.9° | 180.0° |
| CAS | CAQ | NAL | HNAL | 179.2° | 180.0° |
| CAS | CAR | CAI | HAI | 3.7° | 0.1° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAF | CAF | CAG | HAG | 0.6° | 0.1° |
| HAF | CAF | CAH | HAH | 2.0° | 0.1° |
| HAG | CAG | CAI | HAI | 0.8° | 0.0° |
