V4F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAG | doub | 1.39Å | 1.39Å | Aromatic |
| CAK | CAJ | sing | 1.36Å | 1.39Å | Aromatic |
| CA | CAJ | sing | 1.51Å | 1.40Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CAG | CAI | sing | 1.36Å | 1.39Å | Aromatic |
| CAJ | CAM | doub | 1.41Å | 1.39Å | Aromatic |
| CAI | CAL | doub | 1.40Å | 1.39Å | Aromatic |
| CAM | CAL | sing | 1.42Å | 1.38Å | Aromatic |
| CAM | NAH | sing | 1.33Å | 1.34Å | Aromatic |
| CAL | CAF | sing | 1.41Å | 1.38Å | Aromatic |
| NAH | CAE | doub | 1.32Å | 1.34Å | Aromatic |
| CAF | O01 | sing | 1.36Å | 1.36Å | |
| CAF | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| O1 | P | doub | 1.48Å | 1.47Å | |
| O01 | C01 | sing | 1.43Å | 1.43Å | |
| CAE | CAD | sing | 1.40Å | 1.40Å | Aromatic |
| CAE | C | sing | 1.48Å | 1.40Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| P | C01 | sing | 1.82Å | 1.77Å | |
| P | O3 | sing | 1.61Å | 1.48Å | |
| P | O2 | sing | 1.61Å | 1.47Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| O3 | HPO3 | sing | 0.97Å | 0.95Å | |
| O2 | HPO2 | sing | 0.97Å | 0.95Å | |
| C | OXT | sing | 1.35Å | 1.35Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAK | CAJ | 121.2° | 121.0° |
| CAK | CAG | CAI | 119.1° | 120.9° |
| CAG | CAK | HAK | 119.4° | 119.5° |
| CAK | CAG | HAG | 120.5° | 119.5° |
| CAK | CAJ | CA | 119.2° | 120.1° |
| CAK | CAJ | CAM | 119.5° | 119.8° |
| CAJ | CAK | HAK | 119.4° | 119.5° |
| CAJ | CA | N | 109.4° | 109.5° |
| CA | CAJ | CAM | 121.3° | 120.1° |
| CAJ | CA | HA1 | 109.5° | 109.5° |
| CAJ | CA | HA2 | 109.5° | 109.5° |
| N | CA | HA1 | 109.5° | 109.5° |
| N | CA | HA2 | 109.5° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CAG | CAI | CAL | 120.0° | 119.6° |
| CAI | CAG | HAG | 120.5° | 119.6° |
| CAG | CAI | HAI | 120.0° | 120.2° |
| CAJ | CAM | CAL | 119.3° | 119.0° |
| CAJ | CAM | NAH | 121.1° | 121.0° |
| CAI | CAL | CAM | 121.0° | 119.7° |
| CAI | CAL | CAF | 119.3° | 121.3° |
| CAL | CAI | HAI | 120.0° | 120.2° |
| CAL | CAM | NAH | 119.5° | 120.1° |
| CAM | CAL | CAF | 119.7° | 119.1° |
| CAM | NAH | CAE | 122.2° | 121.6° |
| CAL | CAF | O01 | 113.4° | 121.0° |
| CAL | CAF | CAD | 119.9° | 118.1° |
| NAH | CAE | CAD | 120.1° | 121.6° |
| NAH | CAE | C | 118.0° | 119.2° |
| O01 | CAF | CAD | 126.3° | 121.0° |
| CAF | O01 | C01 | 119.1° | 117.0° |
| CAF | CAD | CAE | 118.2° | 119.6° |
| CAF | CAD | HAD | 120.9° | 120.2° |
| O1 | P | C01 | 102.7° | 109.5° |
| O1 | P | O3 | 112.1° | 109.5° |
| O1 | P | O2 | 115.9° | 109.4° |
| O01 | C01 | P | 108.9° | 109.5° |
| O01 | C01 | H3 | 109.6° | 109.5° |
| O01 | C01 | H1 | 109.6° | 109.5° |
| CAD | CAE | C | 121.5° | 119.2° |
| CAE | CAD | HAD | 120.9° | 120.2° |
| CAE | C | O | 120.5° | 120.0° |
| CAE | C | OXT | 113.3° | 120.0° |
| O | C | OXT | 126.2° | 120.1° |
| C01 | P | O3 | 102.8° | 109.5° |
| C01 | P | O2 | 103.8° | 109.5° |
| P | C01 | H3 | 109.6° | 109.5° |
| P | C01 | H1 | 109.6° | 109.4° |
| O3 | P | O2 | 117.0° | 109.5° |
| P | O3 | HPO3 | 109.5° | 114.0° |
| P | O2 | HPO2 | 109.5° | 113.9° |
| H3 | C01 | H1 | 109.5° | 109.5° |
| HA1 | CA | HA2 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAK | CAJ | HAK | 180.0° | 179.9° |
| CAG | CAK | CAJ | CA | 179.6° | 180.0° |
| CAK | CAG | CAI | HAG | 180.0° | 179.9° |
| CAG | CAK | CAJ | CAM | 0.0° | 0.1° |
| CAK | CAG | CAI | CAL | 0.1° | 0.1° |
| CAK | CAG | CAI | HAI | 179.9° | 179.9° |
| CAK | CAJ | CA | CAM | 179.6° | 179.9° |
| CAK | CAJ | CA | N | 146.8° | 100.1° |
| CAJ | CAK | CAG | CAI | 0.1° | 0.1° |
| CAK | CAJ | CAM | CAL | 0.1° | 0.0° |
| CAK | CAJ | CAM | NAH | 177.9° | 180.0° |
| CAJ | CAK | CAG | HAG | 179.9° | 180.0° |
| CAK | CAJ | CA | HA1 | 93.2° | 19.9° |
| CAK | CAJ | CA | HA2 | 26.8° | 140.0° |
| CAJ | CA | N | HA1 | 120.0° | 120.0° |
| CAJ | CA | N | HA2 | 120.0° | 120.0° |
| CA | CAJ | CAM | CAL | 179.4° | 180.0° |
| CA | CAJ | CAM | NAH | 2.6° | 0.0° |
| CA | CAJ | CAK | HAK | 0.4° | 0.1° |
| CAJ | CA | HA1 | HA2 | 120.0° | 120.0° |
| CAJ | CA | N | H | 180.0° | 180.0° |
| CAJ | CA | N | H2 | 60.0° | 56.1° |
| N | CA | CAJ | CAM | 32.8° | 80.0° |
| N | CA | HA1 | HA2 | 120.0° | 120.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| CAG | CAI | CAL | HAI | 180.0° | 180.0° |
| CAG | CAI | CAL | CAM | 0.1° | 0.0° |
| CAG | CAI | CAL | CAF | 178.1° | 180.0° |
| CAI | CAG | CAK | HAK | 179.8° | 180.0° |
| CAJ | CAM | CAL | CAI | 0.2° | 0.0° |
| CAJ | CAM | CAL | NAH | 178.0° | 180.0° |
| CAJ | CAM | CAL | CAF | 178.2° | 180.0° |
| CAJ | CAM | NAH | CAE | 175.8° | 179.7° |
| CAM | CAJ | CAK | HAK | 179.9° | 180.0° |
| CAM | CAJ | CA | HA1 | 87.2° | 160.0° |
| CAM | CAJ | CA | HA2 | 152.7° | 40.0° |
| CAI | CAL | CAM | CAF | 178.0° | 180.0° |
| CAI | CAL | CAM | NAH | 177.8° | 180.0° |
| CAI | CAL | CAF | O01 | 3.7° | 0.0° |
| CAI | CAL | CAF | CAD | 177.6° | 179.7° |
| CAL | CAI | CAG | HAG | 179.9° | 180.0° |
| CAL | CAM | NAH | CAE | 6.2° | 0.3° |
| CAM | CAL | CAF | O01 | 178.2° | 180.0° |
| CAM | CAL | CAF | CAD | 4.3° | 0.3° |
| CAM | CAL | CAI | HAI | 179.9° | 180.0° |
| NAH | CAM | CAL | CAF | 0.2° | 0.0° |
| CAM | NAH | CAE | CAD | 7.4° | 0.3° |
| CAM | NAH | CAE | C | 179.9° | 179.7° |
| CAL | CAF | O01 | CAD | 173.4° | 179.7° |
| CAL | CAF | O01 | C01 | 172.8° | 174.1° |
| CAL | CAF | CAD | CAE | 3.1° | 0.3° |
| CAL | CAF | CAD | HAD | 176.9° | 179.7° |
| CAF | CAL | CAI | HAI | 1.9° | 0.0° |
| NAH | CAE | CAD | CAF | 2.7° | 0.0° |
| NAH | CAE | CAD | C | 172.2° | 180.0° |
| NAH | CAE | C | O | 170.8° | 180.0° |
| NAH | CAE | CAD | HAD | 177.4° | 179.9° |
| NAH | CAE | C | OXT | 12.9° | 0.3° |
| O01 | CAF | CAD | CAE | 176.1° | 180.0° |
| CAF | O01 | C01 | P | 164.1° | 76.6° |
| O01 | CAF | CAD | HAD | 3.9° | 0.0° |
| CAF | O01 | C01 | H3 | 44.2° | 43.4° |
| CAF | O01 | C01 | H1 | 76.0° | 163.4° |
| CAD | CAF | O01 | C01 | 0.7° | 5.6° |
| CAF | CAD | CAE | HAD | 180.0° | 180.0° |
| CAF | CAD | CAE | C | 174.9° | 180.0° |
| O1 | P | C01 | O01 | 13.9° | 65.3° |
| O1 | P | C01 | O3 | 116.6° | 120.0° |
| O1 | P | C01 | O2 | 121.1° | 120.0° |
| O1 | P | O3 | O2 | 137.4° | 120.0° |
| O1 | P | C01 | H3 | 106.0° | 54.7° |
| O1 | P | O3 | HPO3 | 0.0° | 60.0° |
| O1 | P | O2 | HPO2 | 0.0° | 175.0° |
| O1 | P | C01 | H1 | 133.8° | 174.7° |
| O01 | C01 | P | H3 | 119.9° | 120.0° |
| O01 | C01 | P | H1 | 119.9° | 120.0° |
| O01 | C01 | P | O3 | 130.4° | 174.6° |
| O01 | C01 | P | O2 | 107.2° | 54.6° |
| O01 | C01 | H3 | H1 | 120.3° | 120.0° |
| CAD | CAE | C | O | 16.9° | 0.0° |
| CAD | CAE | C | OXT | 159.4° | 179.7° |
| CAE | C | O | OXT | 175.8° | 179.7° |
| C | CAE | CAD | HAD | 5.1° | 0.0° |
| CAE | C | OXT | HXT | 176.0° | 179.7° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C01 | P | O3 | O2 | 113.0° | 120.0° |
| P | C01 | H3 | H1 | 120.3° | 120.0° |
| C01 | P | O3 | HPO3 | 109.6° | 180.0° |
| C01 | P | O2 | HPO2 | 111.8° | 65.0° |
| O3 | P | C01 | H3 | 10.5° | 65.3° |
| O3 | P | O2 | HPO2 | 135.8° | 55.0° |
| O3 | P | C01 | H1 | 109.6° | 54.6° |
| O2 | P | C01 | H3 | 132.9° | 174.6° |
| O2 | P | O3 | HPO3 | 137.4° | 60.0° |
| O2 | P | C01 | H1 | 12.7° | 65.4° |
| HAK | CAK | CAG | HAG | 0.2° | 0.1° |
| HAG | CAG | CAI | HAI | 0.1° | 0.1° |
| HA1 | CA | N | H | 60.0° | 60.0° |
| HA1 | CA | N | H2 | 179.9° | 176.0° |
| HA2 | CA | N | H | 60.1° | 60.0° |
| HA2 | CA | N | H2 | 60.0° | 64.0° |
