OCF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1P | P | doub | 1.48Å | 1.52Å | |
| O3P | P | sing | 1.61Å | 1.55Å | |
| P | O2P | sing | 1.61Å | 1.51Å | |
| P | O4P | sing | 1.61Å | 1.62Å | |
| O4P | C5A | sing | 1.43Å | 1.45Å | |
| C5A | C5 | sing | 1.51Å | 1.50Å | |
| OG | CB | sing | 1.43Å | 1.43Å | |
| OG | N | sing | 1.42Å | 1.41Å | |
| C5 | C6 | doub | 1.38Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C4A | C4 | sing | 1.48Å | 1.45Å | |
| C4A | N | doub | 1.29Å | 1.26Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| C6 | N1 | sing | 1.32Å | 1.36Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.32Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | O3 | sing | 1.36Å | 1.36Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| C2 | C2A | sing | 1.51Å | 1.49Å | |
| O | C | doub | 1.21Å | 1.27Å | |
| C | OXT | sing | 1.34Å | 1.27Å | |
| C2A | H2A1 | sing | 1.09Å | 1.10Å | |
| C2A | H2A2 | sing | 1.09Å | 1.10Å | |
| C2A | H2A3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5A | H5A1 | sing | 1.09Å | 1.10Å | |
| C5A | H5A2 | sing | 1.09Å | 1.10Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| OXT | HOXT | sing | 0.97Å | 0.95Å | |
| C4A | H4A | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O3P | 112.1° | 109.5° |
| O1P | P | O2P | 114.5° | 109.5° |
| O1P | P | O4P | 104.8° | 109.5° |
| O3P | P | O2P | 114.1° | 109.5° |
| O3P | P | O4P | 107.0° | 109.5° |
| P | O3P | HOP3 | 109.5° | 114.0° |
| O2P | P | O4P | 103.2° | 109.5° |
| P | O2P | HOP2 | 109.5° | 114.0° |
| P | O4P | C5A | 121.9° | 123.0° |
| O4P | C5A | C5 | 106.0° | 109.5° |
| O4P | C5A | H5A1 | 110.4° | 109.5° |
| O4P | C5A | H5A2 | 110.3° | 109.5° |
| C5A | C5 | C6 | 121.8° | 120.5° |
| C5A | C5 | C4 | 120.2° | 120.5° |
| C5 | C5A | H5A1 | 110.3° | 109.4° |
| C5 | C5A | H5A2 | 110.3° | 109.4° |
| CB | OG | N | 109.7° | 114.1° |
| OG | CB | CA | 109.2° | 109.5° |
| OG | CB | HB1 | 109.5° | 109.4° |
| OG | CB | HB2 | 109.5° | 109.5° |
| OG | N | C4A | 109.8° | 120.0° |
| C6 | C5 | C4 | 117.9° | 119.0° |
| C5 | C6 | N1 | 123.2° | 121.0° |
| C5 | C6 | H6 | 118.4° | 119.5° |
| C5 | C4 | C4A | 118.5° | 120.9° |
| C5 | C4 | C3 | 119.3° | 118.1° |
| C4 | C4A | N | 121.9° | 120.0° |
| C4A | C4 | C3 | 122.2° | 120.9° |
| C4 | C4A | H4A | 119.1° | 120.0° |
| N | C4A | H4A | 119.1° | 120.0° |
| CB | CA | C | 118.9° | 109.5° |
| CA | CB | HB1 | 109.5° | 109.5° |
| CA | CB | HB2 | 109.5° | 109.4° |
| CB | CA | HA1 | 107.1° | 109.4° |
| CB | CA | HA2 | 107.1° | 109.5° |
| C6 | N1 | C2 | 119.8° | 122.2° |
| N1 | C6 | H6 | 118.4° | 119.5° |
| C4 | C3 | C2 | 119.0° | 118.8° |
| C4 | C3 | O3 | 121.6° | 120.6° |
| N1 | C2 | C3 | 120.6° | 120.8° |
| N1 | C2 | C2A | 118.3° | 119.6° |
| C2 | C3 | O3 | 119.3° | 120.6° |
| C3 | C2 | C2A | 121.0° | 119.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| CA | C | O | 119.6° | 120.0° |
| CA | C | OXT | 117.4° | 120.0° |
| C | CA | HA1 | 107.1° | 109.5° |
| C | CA | HA2 | 107.1° | 109.5° |
| C2 | C2A | H2A1 | 109.5° | 109.5° |
| C2 | C2A | H2A2 | 109.4° | 109.4° |
| C2 | C2A | H2A3 | 109.5° | 109.4° |
| O | C | OXT | 123.0° | 120.0° |
| C | OXT | HOXT | 109.5° | 117.0° |
| H2A1 | C2A | H2A2 | 109.4° | 109.5° |
| H2A1 | C2A | H2A3 | 109.5° | 109.5° |
| H2A2 | C2A | H2A3 | 109.5° | 109.5° |
| H5A1 | C5A | H5A2 | 109.5° | 109.5° |
| HB1 | CB | HB2 | 109.5° | 109.4° |
| HA1 | CA | HA2 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O3P | O2P | 132.2° | 120.0° |
| O1P | P | O3P | O4P | 114.3° | 120.0° |
| O1P | P | O2P | O4P | 113.3° | 120.0° |
| O1P | P | O4P | C5A | 171.9° | 55.0° |
| O1P | P | O2P | HOP2 | 0.0° | 180.0° |
| O1P | P | O3P | HOP3 | 0.0° | 60.0° |
| O3P | P | O2P | O4P | 115.7° | 120.0° |
| O3P | P | O4P | C5A | 52.8° | 175.0° |
| O3P | P | O2P | HOP2 | 131.0° | 60.0° |
| O2P | P | O4P | C5A | 67.9° | 65.0° |
| O2P | P | O3P | HOP3 | 132.2° | 60.0° |
| P | O4P | C5A | C5 | 149.4° | 180.0° |
| P | O4P | C5A | H5A1 | 91.2° | 60.0° |
| P | O4P | C5A | H5A2 | 29.9° | 60.0° |
| O4P | P | O2P | HOP2 | 113.3° | 60.0° |
| O4P | P | O3P | HOP3 | 114.4° | 180.0° |
| O4P | C5A | C5 | H5A1 | 119.5° | 120.0° |
| O4P | C5A | C5 | H5A2 | 119.5° | 120.0° |
| O4P | C5A | C5 | C6 | 110.9° | 0.0° |
| O4P | C5A | C5 | C4 | 66.2° | 180.0° |
| O4P | C5A | H5A1 | H5A2 | 121.6° | 120.1° |
| C5A | C5 | C6 | C4 | 177.1° | 180.0° |
| C5A | C5 | C4 | C4A | 0.0° | 0.0° |
| C5A | C5 | C6 | N1 | 178.6° | 180.0° |
| C5A | C5 | C4 | C3 | 179.9° | 180.0° |
| C5A | C5 | C6 | H6 | 1.4° | 0.0° |
| C5 | C5A | H5A1 | H5A2 | 121.6° | 120.0° |
| CB | OG | N | C4A | 134.5° | 180.0° |
| OG | CB | CA | HB1 | 120.0° | 120.0° |
| OG | CB | CA | HB2 | 120.0° | 120.0° |
| OG | CB | CA | C | 60.7° | 180.0° |
| OG | CB | HB1 | HB2 | 120.1° | 120.0° |
| OG | CB | CA | HA1 | 60.6° | 60.0° |
| OG | CB | CA | HA2 | 177.9° | 60.0° |
| OG | N | C4A | C4 | 177.0° | 180.0° |
| N | OG | CB | CA | 40.1° | 180.0° |
| N | OG | CB | HB1 | 79.9° | 60.0° |
| N | OG | CB | HB2 | 160.1° | 60.0° |
| OG | N | C4A | H4A | 3.0° | 0.1° |
| C6 | C5 | C4 | C4A | 177.2° | 180.0° |
| C5 | C6 | N1 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 2.9° | 0.0° |
| C5 | C6 | N1 | C2 | 2.0° | 0.0° |
| C6 | C5 | C5A | H5A1 | 8.6° | 120.0° |
| C6 | C5 | C5A | H5A2 | 129.7° | 120.0° |
| C5 | C4 | C4A | C3 | 179.9° | 180.0° |
| C5 | C4 | C4A | N | 141.7° | 179.9° |
| C4 | C5 | C6 | N1 | 4.2° | 0.0° |
| C5 | C4 | C3 | C2 | 0.4° | 0.0° |
| C5 | C4 | C3 | O3 | 177.8° | 180.0° |
| C4 | C5 | C6 | H6 | 175.8° | 180.0° |
| C4 | C5 | C5A | H5A1 | 174.3° | 60.0° |
| C4 | C5 | C5A | H5A2 | 53.3° | 60.0° |
| C5 | C4 | C4A | H4A | 38.3° | 0.0° |
| C4 | C4A | N | H4A | 180.0° | 179.9° |
| C4A | C4 | C3 | C2 | 179.5° | 180.0° |
| C4A | C4 | C3 | O3 | 2.1° | 0.0° |
| N | C4A | C4 | C3 | 38.2° | 0.1° |
| CB | CA | C | HA1 | 121.4° | 120.0° |
| CB | CA | C | HA2 | 121.4° | 120.0° |
| CB | CA | C | O | 59.0° | 0.0° |
| CB | CA | C | OXT | 122.5° | 180.0° |
| CA | CB | HB1 | HB2 | 120.1° | 120.0° |
| CB | CA | HA1 | HA2 | 115.7° | 120.0° |
| C6 | N1 | C2 | C3 | 1.5° | 0.0° |
| C6 | N1 | C2 | C2A | 178.3° | 180.0° |
| C4 | C3 | C2 | N1 | 2.7° | 0.0° |
| C4 | C3 | C2 | O3 | 177.5° | 179.9° |
| C4 | C3 | C2 | C2A | 179.4° | 179.9° |
| C4 | C3 | O3 | HO3 | 180.0° | 90.0° |
| C3 | C4 | C4A | H4A | 141.8° | 180.0° |
| N1 | C2 | C3 | C2A | 176.7° | 180.0° |
| N1 | C2 | C3 | O3 | 179.8° | 180.0° |
| N1 | C2 | C2A | H2A1 | 0.0° | 90.0° |
| N1 | C2 | C2A | H2A2 | 120.0° | 150.0° |
| N1 | C2 | C2A | H2A3 | 120.0° | 30.1° |
| C2 | N1 | C6 | H6 | 178.0° | 180.0° |
| C3 | C2 | C2A | H2A1 | 176.8° | 90.0° |
| C3 | C2 | C2A | H2A2 | 63.2° | 30.0° |
| C3 | C2 | C2A | H2A3 | 56.8° | 150.0° |
| C2 | C3 | O3 | HO3 | 2.6° | 90.0° |
| O3 | C3 | C2 | C2A | 3.1° | 0.0° |
| CA | C | O | OXT | 178.5° | 180.0° |
| C | CA | CB | HB1 | 179.3° | 60.0° |
| C | CA | CB | HB2 | 59.2° | 60.0° |
| C | CA | HA1 | HA2 | 115.7° | 120.0° |
| CA | C | OXT | HOXT | 178.5° | 180.0° |
| C2 | C2A | H2A1 | H2A2 | 120.0° | 120.0° |
| C2 | C2A | H2A1 | H2A3 | 120.0° | 120.0° |
| C2 | C2A | H2A2 | H2A3 | 120.0° | 119.9° |
| O | C | CA | HA1 | 179.7° | 120.0° |
| O | C | CA | HA2 | 62.4° | 120.0° |
| O | C | OXT | HOXT | 0.0° | 0.0° |
| OXT | C | CA | HA1 | 1.1° | 60.0° |
| OXT | C | CA | HA2 | 116.1° | 60.0° |
| H2A1 | C2A | H2A2 | H2A3 | 120.0° | 120.1° |
| HB1 | CB | CA | HA1 | 59.3° | 180.0° |
| HB1 | CB | CA | HA2 | 57.9° | 60.0° |
| HB2 | CB | CA | HA1 | 179.4° | 60.0° |
| HB2 | CB | CA | HA2 | 62.1° | 180.0° |
