FXC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F12 | C09 | sing | 1.40Å | 1.34Å | |
| CE1 | CZ | doub | 1.38Å | 1.38Å | Aromatic |
| CE1 | CD1 | sing | 1.38Å | 1.36Å | Aromatic |
| CZ | CE2 | sing | 1.38Å | 1.37Å | Aromatic |
| CD1 | CG | doub | 1.38Å | 1.37Å | Aromatic |
| CE2 | C09 | sing | 1.51Å | 1.52Å | |
| CE2 | CD2 | doub | 1.38Å | 1.37Å | Aromatic |
| C09 | F10 | sing | 1.40Å | 1.35Å | |
| C09 | F11 | sing | 1.40Å | 1.42Å | |
| CG | CD2 | sing | 1.38Å | 1.35Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.49Å | |
| N | CA | sing | 1.47Å | 1.44Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.23Å | |
| 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 | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | 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 | CE2 | 99.5° | 109.5° |
| F12 | C09 | F10 | 100.5° | 109.5° |
| F12 | C09 | F11 | 119.7° | 109.4° |
| CZ | CE1 | CD1 | 121.4° | 120.0° |
| CE1 | CZ | CE2 | 117.5° | 120.0° |
| CZ | CE1 | HE1 | 119.3° | 120.0° |
| CE1 | CZ | HZ | 121.3° | 120.0° |
| CE1 | CD1 | CG | 121.0° | 120.0° |
| CE1 | CD1 | HD1 | 119.5° | 120.0° |
| CD1 | CE1 | HE1 | 119.3° | 120.0° |
| CZ | CE2 | C09 | 122.0° | 120.0° |
| CZ | CE2 | CD2 | 120.0° | 120.0° |
| CE2 | CZ | HZ | 121.2° | 120.0° |
| CD1 | CG | CD2 | 117.1° | 120.0° |
| CD1 | CG | CB | 124.3° | 120.0° |
| CG | CD1 | HD1 | 119.5° | 120.0° |
| C09 | CE2 | CD2 | 117.9° | 120.0° |
| CE2 | C09 | F10 | 111.3° | 109.5° |
| CE2 | C09 | F11 | 115.8° | 109.5° |
| CE2 | CD2 | CG | 122.9° | 120.0° |
| CE2 | CD2 | HD2 | 118.5° | 120.0° |
| F10 | C09 | F11 | 108.9° | 109.5° |
| CD2 | CG | CB | 118.6° | 120.0° |
| CG | CD2 | HD2 | 118.5° | 120.0° |
| CG | CB | CA | 108.8° | 109.5° |
| CG | CB | HB2 | 109.6° | 109.4° |
| CG | CB | HB3 | 109.6° | 109.5° |
| CB | CA | N | 112.8° | 109.5° |
| CB | CA | C | 113.6° | 109.4° |
| CB | CA | HA | 103.2° | 109.4° |
| CA | CB | HB2 | 109.6° | 109.4° |
| CA | CB | HB3 | 109.6° | 109.5° |
| N | CA | C | 118.2° | 109.5° |
| N | CA | HA | 103.7° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | C | O | 126.0° | 120.0° |
| CA | C | OXT | 115.4° | 120.0° |
| C | CA | HA | 103.0° | 109.5° |
| O | C | OXT | 118.6° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F12 | C09 | CE2 | CZ | 51.8° | 120.0° |
| F12 | C09 | CE2 | F10 | 105.3° | 120.0° |
| F12 | C09 | CE2 | F11 | 129.7° | 120.0° |
| F12 | C09 | CE2 | CD2 | 126.5° | 59.9° |
| F12 | C09 | F10 | F11 | 126.6° | 120.0° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 180.0° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
| CZ | CE1 | CD1 | CG | 1.0° | 0.1° |
| CE1 | CZ | CE2 | C09 | 179.9° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 1.6° | 0.1° |
| CZ | CE1 | CD1 | HD1 | 179.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 1.6° | 0.0° |
| CE1 | CD1 | CG | HD1 | 180.0° | 179.9° |
| CE1 | CD1 | CG | CD2 | 0.5° | 0.1° |
| CE1 | CD1 | CG | CB | 179.6° | 179.7° |
| CD1 | CE1 | CZ | HZ | 178.4° | 179.9° |
| CZ | CE2 | C09 | CD2 | 178.3° | 179.9° |
| CZ | CE2 | C09 | F10 | 157.1° | 0.0° |
| CZ | CE2 | C09 | F11 | 77.9° | 120.0° |
| CZ | CE2 | CD2 | CG | 1.2° | 0.1° |
| CE2 | CZ | CE1 | HE1 | 178.5° | 180.0° |
| CZ | CE2 | CD2 | HD2 | 178.8° | 179.7° |
| CD1 | CG | CD2 | CE2 | 0.6° | 0.0° |
| CD1 | CG | CD2 | CB | 179.2° | 179.7° |
| CD1 | CG | CB | CA | 165.2° | 89.7° |
| CD1 | CG | CB | HB2 | 74.9° | 150.3° |
| CD1 | CG | CB | HB3 | 45.3° | 30.3° |
| CG | CD1 | CE1 | HE1 | 179.0° | 179.9° |
| CD1 | CG | CD2 | HD2 | 179.4° | 179.7° |
| CE2 | C09 | F10 | F11 | 128.9° | 120.0° |
| C09 | CE2 | CD2 | CG | 179.6° | 180.0° |
| C09 | CE2 | CZ | HZ | 0.1° | 0.1° |
| C09 | CE2 | CD2 | HD2 | 0.4° | 0.3° |
| CD2 | CE2 | C09 | F10 | 21.3° | 179.9° |
| CD2 | CE2 | C09 | F11 | 103.8° | 60.1° |
| CE2 | CD2 | CG | HD2 | 180.0° | 179.7° |
| CE2 | CD2 | CG | CB | 179.8° | 179.7° |
| CD2 | CE2 | CZ | HZ | 178.4° | 179.9° |
| CD2 | CG | CB | CA | 15.7° | 90.0° |
| CD2 | CG | CB | HB2 | 104.2° | 30.0° |
| CD2 | CG | CB | HB3 | 135.6° | 150.0° |
| CD2 | CG | CD1 | HD1 | 179.5° | 180.0° |
| CG | CB | CA | HB2 | 119.9° | 119.9° |
| CG | CB | CA | HB3 | 119.9° | 120.0° |
| CG | CB | CA | N | 116.5° | 65.0° |
| CG | CB | CA | C | 105.6° | 175.0° |
| CG | CB | CA | HA | 5.2° | 54.9° |
| CG | CB | HB2 | HB3 | 120.3° | 120.0° |
| CB | CG | CD1 | HD1 | 0.4° | 0.3° |
| CB | CG | CD2 | HD2 | 0.2° | 0.0° |
| CB | CA | N | C | 135.8° | 120.0° |
| CB | CA | N | HA | 111.0° | 120.0° |
| CB | CA | C | HA | 110.9° | 120.0° |
| CB | CA | C | O | 69.5° | 100.0° |
| CB | CA | C | OXT | 112.0° | 80.0° |
| CA | CB | HB2 | HB3 | 120.3° | 120.0° |
| CB | CA | N | H | 180.0° | 64.0° |
| CB | CA | N | H2 | 60.0° | 59.9° |
| N | CA | C | HA | 113.6° | 120.0° |
| N | CA | C | O | 66.0° | 20.0° |
| N | CA | C | OXT | 112.5° | 160.0° |
| N | CA | CB | HB2 | 3.4° | 175.0° |
| N | CA | CB | HB3 | 123.6° | 55.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| CA | C | O | OXT | 178.4° | 180.0° |
| C | CA | CB | HB2 | 134.5° | 55.0° |
| C | CA | CB | HB3 | 14.3° | 65.0° |
| C | CA | N | H | 44.1° | 176.1° |
| C | CA | N | H2 | 164.1° | 60.0° |
| CA | C | OXT | HXT | 178.6° | 179.9° |
| O | C | CA | HA | 179.6° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 1.1° | 40.0° |
| HA | CA | CB | HB2 | 114.7° | 65.0° |
| HA | CA | CB | HB3 | 125.1° | 174.9° |
| HA | CA | N | H | 69.1° | 56.0° |
| HA | CA | N | H2 | 50.9° | 179.9° |
| HD1 | CD1 | CE1 | HE1 | 1.0° | 0.0° |
| HE1 | CE1 | CZ | HZ | 1.5° | 0.0° |
