FX9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F12 | C09 | sing | 1.40Å | 1.31Å | |
| F11 | C09 | sing | 1.40Å | 1.32Å | |
| C09 | CE2 | sing | 1.51Å | 1.51Å | |
| C09 | F10 | sing | 1.40Å | 1.31Å | |
| CZ | CE2 | doub | 1.38Å | 1.37Å | Aromatic |
| CZ | CE1 | sing | 1.38Å | 1.37Å | Aromatic |
| CE2 | CD2 | sing | 1.38Å | 1.36Å | Aromatic |
| CE1 | CD1 | doub | 1.38Å | 1.37Å | Aromatic |
| CD2 | CG | doub | 1.38Å | 1.37Å | Aromatic |
| CD1 | CG | sing | 1.38Å | 1.38Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.51Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| O | C | doub | 1.21Å | 1.22Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.22Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F12 | C09 | F11 | 107.8° | 109.5° |
| F12 | C09 | CE2 | 112.7° | 109.4° |
| F12 | C09 | F10 | 105.6° | 109.5° |
| F11 | C09 | CE2 | 111.3° | 109.5° |
| F11 | C09 | F10 | 109.3° | 109.5° |
| CE2 | C09 | F10 | 110.0° | 109.5° |
| C09 | CE2 | CZ | 120.7° | 120.0° |
| C09 | CE2 | CD2 | 118.1° | 120.0° |
| CE2 | CZ | CE1 | 119.8° | 120.0° |
| CZ | CE2 | CD2 | 121.2° | 120.0° |
| CE2 | CZ | HZ | 120.1° | 120.0° |
| CZ | CE1 | CD1 | 119.3° | 120.0° |
| CE1 | CZ | HZ | 120.1° | 120.0° |
| CZ | CE1 | HE1 | 120.3° | 120.0° |
| CE2 | CD2 | CG | 119.2° | 120.0° |
| CE2 | CD2 | HD2 | 120.4° | 120.0° |
| CE1 | CD1 | CG | 120.2° | 120.0° |
| CE1 | CD1 | HD1 | 119.9° | 120.0° |
| CD1 | CE1 | HE1 | 120.4° | 120.0° |
| CD2 | CG | CD1 | 120.4° | 120.0° |
| CD2 | CG | CB | 120.0° | 120.0° |
| CG | CD2 | HD2 | 120.4° | 120.0° |
| CD1 | CG | CB | 119.6° | 120.0° |
| CG | CD1 | HD1 | 119.9° | 120.0° |
| CG | CB | CA | 113.3° | 109.5° |
| CG | CB | HB2 | 108.5° | 109.4° |
| CG | CB | HB3 | 108.5° | 109.4° |
| CB | CA | C | 109.8° | 109.5° |
| CB | CA | N | 108.9° | 109.5° |
| CB | CA | HA | 108.6° | 109.4° |
| CA | CB | HB2 | 108.5° | 109.4° |
| CA | CB | HB3 | 108.5° | 109.5° |
| O | C | CA | 122.8° | 120.0° |
| O | C | OXT | 117.1° | 120.0° |
| CA | C | OXT | 120.1° | 120.0° |
| C | CA | N | 111.7° | 109.5° |
| C | CA | HA | 108.4° | 109.4° |
| C | OXT | HXT | 109.5° | 117.0° |
| N | CA | HA | 109.4° | 109.5° |
| CA | N | H | 109.5° | 111.1° |
| CA | N | H2 | 109.4° | 111.0° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F12 | C09 | F11 | CE2 | 124.0° | 120.0° |
| F12 | C09 | F11 | F10 | 114.3° | 120.0° |
| F12 | C09 | CE2 | F10 | 117.5° | 120.0° |
| F12 | C09 | CE2 | CZ | 112.7° | 120.0° |
| F12 | C09 | CE2 | CD2 | 66.6° | 59.7° |
| F11 | C09 | CE2 | F10 | 121.3° | 120.0° |
| F11 | C09 | CE2 | CZ | 8.5° | 120.0° |
| F11 | C09 | CE2 | CD2 | 172.2° | 60.3° |
| C09 | CE2 | CZ | CD2 | 179.4° | 179.7° |
| C09 | CE2 | CZ | CE1 | 179.0° | 180.0° |
| C09 | CE2 | CD2 | CG | 179.9° | 179.8° |
| C09 | CE2 | CZ | HZ | 1.0° | 0.3° |
| C09 | CE2 | CD2 | HD2 | 0.1° | 0.3° |
| F10 | C09 | CE2 | CZ | 129.8° | 0.0° |
| F10 | C09 | CE2 | CD2 | 50.9° | 179.7° |
| CE2 | CZ | CE1 | HZ | 180.0° | 179.7° |
| CE2 | CZ | CE1 | CD1 | 1.3° | 0.2° |
| CZ | CE2 | CD2 | CG | 0.8° | 0.0° |
| CZ | CE2 | CD2 | HD2 | 179.2° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 178.7° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 0.4° | 0.3° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.8° |
| CZ | CE1 | CD1 | CG | 1.0° | 0.1° |
| CZ | CE1 | CD1 | HD1 | 179.0° | 180.0° |
| CE2 | CD2 | CG | HD2 | 180.0° | 179.9° |
| CE2 | CD2 | CG | CD1 | 1.1° | 0.3° |
| CE2 | CD2 | CG | CB | 179.6° | 180.0° |
| CD2 | CE2 | CZ | HZ | 179.6° | 180.0° |
| CE1 | CD1 | CG | CD2 | 0.2° | 0.3° |
| CE1 | CD1 | CG | HD1 | 180.0° | 179.9° |
| CE1 | CD1 | CG | CB | 179.5° | 179.9° |
| CD1 | CE1 | CZ | HZ | 178.7° | 179.9° |
| CD2 | CG | CD1 | CB | 179.4° | 179.8° |
| CD2 | CG | CB | CA | 74.0° | 90.3° |
| CD2 | CG | CB | HB2 | 165.5° | 149.8° |
| CD2 | CG | CB | HB3 | 46.6° | 29.8° |
| CD2 | CG | CD1 | HD1 | 179.8° | 179.7° |
| CD1 | CG | CB | CA | 106.7° | 90.0° |
| CD1 | CG | CB | HB2 | 13.9° | 30.0° |
| CD1 | CG | CB | HB3 | 132.8° | 150.0° |
| CD1 | CG | CD2 | HD2 | 178.9° | 179.7° |
| CG | CD1 | CE1 | HE1 | 179.0° | 179.7° |
| CG | CB | CA | HB2 | 120.6° | 120.0° |
| CG | CB | CA | HB3 | 120.6° | 120.0° |
| CG | CB | CA | C | 69.6° | 175.0° |
| CG | CB | CA | N | 53.0° | 65.0° |
| CG | CB | CA | HA | 172.0° | 55.0° |
| CG | CB | HB2 | HB3 | 118.3° | 120.0° |
| CB | CG | CD1 | HD1 | 0.5° | 0.0° |
| CB | CG | CD2 | HD2 | 0.4° | 0.1° |
| CB | CA | C | O | 62.0° | 100.0° |
| CB | CA | C | N | 120.9° | 120.1° |
| CB | CA | C | HA | 118.5° | 120.0° |
| CB | CA | C | OXT | 118.0° | 79.9° |
| CB | CA | N | HA | 118.6° | 120.0° |
| CA | CB | HB2 | HB3 | 118.3° | 120.0° |
| CB | CA | N | H | 180.0° | 176.1° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| O | C | CA | OXT | 180.0° | 179.9° |
| O | C | CA | N | 177.0° | 20.1° |
| O | C | CA | HA | 56.5° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | HA | 120.0° | 119.9° |
| C | CA | CB | HB2 | 169.8° | 65.0° |
| C | CA | CB | HB3 | 51.0° | 55.0° |
| C | CA | N | H | 58.5° | 63.9° |
| C | CA | N | H2 | 61.5° | 60.1° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| OXT | C | CA | N | 2.9° | 160.0° |
| OXT | C | CA | HA | 123.5° | 40.0° |
| N | CA | CB | HB2 | 67.6° | 55.0° |
| N | CA | CB | HB3 | 173.6° | 175.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| HA | CA | CB | HB2 | 51.5° | 175.0° |
| HA | CA | CB | HB3 | 67.4° | 65.0° |
| HA | CA | N | H | 61.4° | 56.1° |
| HA | CA | N | H2 | 178.6° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 1.0° | 0.2° |
| HZ | CZ | CE1 | HE1 | 1.3° | 0.3° |
