FOO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.36Å | Aromatic |
| N1 | C6 | doub | 1.35Å | 1.33Å | Aromatic |
| C2 | C2A | sing | 1.49Å | 1.48Å | |
| C2 | C3 | doub | 1.39Å | 1.52Å | Aromatic |
| C2A | H2A1 | sing | 1.10Å | 1.12Å | |
| C2A | H2A2 | sing | 1.10Å | 1.12Å | |
| C2A | H2A3 | sing | 1.10Å | 1.11Å | |
| C3 | O3 | sing | 1.36Å | 1.31Å | |
| C3 | C4 | sing | 1.38Å | 1.47Å | Aromatic |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | doub | 1.38Å | 1.43Å | Aromatic |
| C4 | C7 | sing | 1.47Å | 1.40Å | |
| C5 | C6 | sing | 1.39Å | 1.47Å | Aromatic |
| C5 | C5A | sing | 1.49Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C5A | O4P | sing | 1.42Å | 1.44Å | |
| C5A | H5A1 | sing | 1.10Å | 1.12Å | |
| C5A | H5A2 | sing | 1.10Å | 1.11Å | |
| O4P | P | sing | 1.62Å | 1.43Å | |
| P | O1P | sing | 1.62Å | 1.42Å | |
| P | O2P | doub | 1.50Å | 1.41Å | |
| P | O3P | sing | 1.62Å | 1.42Å | |
| O1P | H1P | sing | 0.98Å | 0.95Å | |
| O3P | H3P | sing | 0.98Å | 0.95Å | |
| N | CA | doub | 1.29Å | 1.22Å | |
| N | H | sing | 1.03Å | 1.02Å | |
| CA | C | sing | 1.50Å | 1.44Å | |
| CA | CB | sing | 1.48Å | 1.44Å | |
| C | O | sing | 1.34Å | 1.36Å | |
| C | OXT | doub | 1.21Å | 1.24Å | |
| O | HA | sing | 0.98Å | 0.95Å | |
| CB | C7 | doub | 1.34Å | 1.40Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 119.9° | 116.4° |
| N1 | C2 | C2A | 120.6° | 115.8° |
| N1 | C2 | C3 | 119.9° | 124.1° |
| N1 | C6 | C5 | 124.5° | 124.0° |
| N1 | C6 | H6 | 112.5° | 114.7° |
| C2A | C2 | C3 | 119.1° | 120.1° |
| C2 | C2A | H2A1 | 108.2° | 110.3° |
| C2 | C2A | H2A2 | 108.2° | 111.1° |
| C2 | C2A | H2A3 | 120.6° | 111.2° |
| C2 | C3 | O3 | 116.6° | 120.7° |
| C2 | C3 | C4 | 120.1° | 117.3° |
| H2A1 | C2A | H2A2 | 101.7° | 108.6° |
| H2A1 | C2A | H2A3 | 108.2° | 108.7° |
| H2A2 | C2A | H2A3 | 108.2° | 107.0° |
| O3 | C3 | C4 | 123.3° | 122.0° |
| C3 | O3 | H3 | 116.6° | 110.3° |
| C3 | C4 | C5 | 115.0° | 120.8° |
| C3 | C4 | C7 | 122.1° | 119.4° |
| C5 | C4 | C7 | 122.8° | 119.7° |
| C4 | C5 | C6 | 119.9° | 117.4° |
| C4 | C5 | C5A | 124.5° | 123.1° |
| C4 | C7 | CB | 134.3° | 124.5° |
| C4 | C7 | H7 | 112.8° | 114.8° |
| C6 | C5 | C5A | 113.1° | 119.5° |
| C5 | C6 | H6 | 123.0° | 121.3° |
| C5 | C5A | O4P | 120.7° | 109.4° |
| C5 | C5A | H5A1 | 108.2° | 111.4° |
| C5 | C5A | H5A2 | 108.2° | 111.2° |
| O4P | C5A | H5A1 | 108.2° | 108.6° |
| O4P | C5A | H5A2 | 108.2° | 108.7° |
| C5A | O4P | P | 108.6° | 118.3° |
| H5A1 | C5A | H5A2 | 101.8° | 107.4° |
| O4P | P | O1P | 111.3° | 103.8° |
| O4P | P | O2P | 112.6° | 115.1° |
| O4P | P | O3P | 120.9° | 102.7° |
| O1P | P | O2P | 100.1° | 115.3° |
| O1P | P | O3P | 106.9° | 103.3° |
| P | O1P | H1P | 111.3° | 119.0° |
| O2P | P | O3P | 102.8° | 115.0° |
| P | O3P | H3P | 120.9° | 119.0° |
| CA | N | H | 65.8° | 110.7° |
| N | CA | C | 122.7° | 117.7° |
| N | CA | CB | 123.3° | 122.5° |
| C | CA | CB | 113.2° | 119.7° |
| CA | C | O | 114.8° | 109.1° |
| CA | C | OXT | 126.9° | 122.4° |
| CA | CB | C7 | 128.6° | 122.8° |
| CA | CB | HB | 117.4° | 115.4° |
| O | C | OXT | 118.0° | 128.4° |
| C | O | HA | 114.8° | 112.3° |
| C7 | CB | HB | 114.0° | 121.8° |
| CB | C7 | H7 | 112.9° | 120.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C2A | C3 | 173.5° | 180.0° |
| N1 | C2 | C2A | H2A1 | 54.7° | 129.7° |
| N1 | C2 | C2A | H2A2 | 54.7° | 9.3° |
| N1 | C2 | C2A | H2A3 | 180.0° | 109.7° |
| N1 | C2 | C3 | O3 | 178.2° | 180.0° |
| N1 | C2 | C3 | C4 | 4.5° | 0.1° |
| C2 | N1 | C6 | C5 | 5.5° | 0.0° |
| C2 | N1 | C6 | H6 | 174.5° | 179.9° |
| C6 | N1 | C2 | C2A | 177.1° | 180.0° |
| C6 | N1 | C2 | C3 | 3.7° | 0.0° |
| N1 | C6 | C5 | C4 | 8.2° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | C5A | 171.2° | 180.0° |
| C2 | C2A | H2A1 | H2A2 | 113.8° | 121.9° |
| C2 | C2A | H2A1 | H2A3 | 132.3° | 122.1° |
| C2 | C2A | H2A2 | H2A3 | 132.3° | 121.5° |
| C2A | C2 | C3 | O3 | 4.6° | 0.0° |
| C2A | C2 | C3 | C4 | 178.1° | 179.9° |
| C3 | C2 | C2A | H2A1 | 131.8° | 50.3° |
| C3 | C2 | C2A | H2A2 | 118.8° | 170.7° |
| C3 | C2 | C2A | H2A3 | 6.5° | 70.3° |
| C2 | C3 | O3 | C4 | 177.2° | 179.9° |
| C2 | C3 | O3 | H3 | 180.0° | 3.4° |
| C2 | C3 | C4 | C5 | 6.8° | 0.1° |
| C2 | C3 | C4 | C7 | 175.0° | 180.0° |
| H2A1 | C2A | H2A2 | H2A3 | 113.8° | 117.1° |
| O3 | C3 | C4 | C5 | 176.2° | 180.0° |
| O3 | C3 | C4 | C7 | 2.1° | 0.1° |
| C4 | C3 | O3 | H3 | 2.8° | 176.7° |
| C3 | C4 | C5 | C7 | 178.2° | 179.9° |
| C3 | C4 | C5 | C6 | 8.3° | 0.1° |
| C3 | C4 | C5 | C5A | 169.3° | 179.9° |
| C3 | C4 | C7 | CB | 21.7° | 91.2° |
| C3 | C4 | C7 | H7 | 158.3° | 90.1° |
| C4 | C5 | C6 | C5A | 163.0° | 180.0° |
| C4 | C5 | C6 | H6 | 171.8° | 180.0° |
| C4 | C5 | C5A | O4P | 35.9° | 90.0° |
| C4 | C5 | C5A | H5A1 | 89.3° | 30.1° |
| C4 | C5 | C5A | H5A2 | 161.2° | 149.9° |
| C5 | C4 | C7 | CB | 156.4° | 88.7° |
| C5 | C4 | C7 | H7 | 23.6° | 90.0° |
| C7 | C4 | C5 | C6 | 173.5° | 180.0° |
| C7 | C4 | C5 | C5A | 12.5° | 0.1° |
| C4 | C7 | CB | CA | 177.0° | 179.5° |
| C4 | C7 | CB | H7 | 180.0° | 178.6° |
| C4 | C7 | CB | HB | 3.0° | 0.2° |
| C6 | C5 | C5A | O4P | 126.2° | 90.0° |
| C6 | C5 | C5A | H5A1 | 108.6° | 149.9° |
| C6 | C5 | C5A | H5A2 | 0.9° | 30.1° |
| C5A | C5 | C6 | H6 | 8.8° | 0.1° |
| C5 | C5A | O4P | H5A1 | 125.2° | 121.8° |
| C5 | C5A | O4P | H5A2 | 125.3° | 121.6° |
| C5 | C5A | H5A1 | H5A2 | 113.8° | 122.1° |
| C5 | C5A | O4P | P | 125.0° | 180.0° |
| O4P | C5A | H5A1 | H5A2 | 113.8° | 117.4° |
| C5A | O4P | P | O1P | 64.5° | 53.1° |
| C5A | O4P | P | O2P | 176.0° | 180.0° |
| C5A | O4P | P | O3P | 62.1° | 54.3° |
| H5A1 | C5A | O4P | P | 109.8° | 58.2° |
| H5A2 | C5A | O4P | P | 0.2° | 58.4° |
| O4P | P | O1P | O2P | 119.2° | 126.8° |
| O4P | P | O1P | O3P | 134.0° | 106.9° |
| O4P | P | O2P | O3P | 131.7° | 119.1° |
| O4P | P | O1P | H1P | 180.0° | 175.6° |
| O4P | P | O3P | H3P | 180.0° | 173.8° |
| O1P | P | O2P | O3P | 110.0° | 120.1° |
| O1P | P | O3P | H3P | 51.3° | 78.5° |
| O2P | P | O1P | H1P | 60.8° | 48.8° |
| O2P | P | O3P | H3P | 53.5° | 48.0° |
| O3P | P | O1P | H1P | 46.0° | 77.5° |
| N | CA | C | CB | 169.9° | 179.6° |
| N | CA | C | O | 157.5° | 89.9° |
| N | CA | C | OXT | 29.2° | 89.6° |
| N | CA | CB | C7 | 43.8° | 179.8° |
| N | CA | CB | HB | 136.2° | 0.5° |
| H | N | CA | C | 50.5° | 0.2° |
| H | N | CA | CB | 140.6° | 179.8° |
| CA | C | O | OXT | 173.9° | 179.4° |
| CA | C | O | HA | 180.0° | 179.3° |
| C | CA | CB | C7 | 126.1° | 0.7° |
| C | CA | CB | HB | 53.9° | 180.0° |
| CB | CA | C | O | 32.6° | 90.6° |
| CB | CA | C | OXT | 140.7° | 90.0° |
| CA | CB | C7 | HB | 180.0° | 179.3° |
| CA | CB | C7 | H7 | 3.0° | 0.9° |
| OXT | C | O | HA | 6.1° | 0.0° |
| HB | CB | C7 | H7 | 177.0° | 178.4° |
