FOS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.43Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.38Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C | O | sing | 1.45Å | 1.43Å | |
| C | H1 | sing | 1.09Å | 1.11Å | |
| C | H2A | sing | 1.09Å | 1.11Å | |
| O | C' | sing | 1.34Å | 1.36Å | |
| C' | O' | doub | 1.22Å | 1.20Å | |
| C' | N | sing | 1.35Å | 1.34Å | |
| N | CM | sing | 1.47Å | 1.43Å | |
| N | HN | sing | 0.97Å | 1.02Å | |
| CM | P | sing | 1.82Å | 1.81Å | |
| CM | HM1 | sing | 1.09Å | 1.12Å | |
| CM | HM2 | sing | 1.09Å | 1.12Å | |
| P | O1P | doub | 1.48Å | 1.45Å | |
| P | O2P | sing | 1.61Å | 1.42Å | |
| P | O3P | sing | 1.61Å | 1.61Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 122.4° | 120.0° |
| C2 | C1 | C | 118.5° | 120.0° |
| C1 | C2 | C3 | 117.2° | 120.0° |
| C1 | C2 | H2 | 121.5° | 120.0° |
| C6 | C1 | C | 119.0° | 120.0° |
| C1 | C6 | C5 | 118.7° | 120.0° |
| C1 | C6 | H6 | 121.0° | 120.0° |
| C1 | C | O | 111.2° | 109.5° |
| C1 | C | H1 | 111.6° | 109.5° |
| C1 | C | H2A | 111.6° | 109.5° |
| C3 | C2 | H2 | 121.3° | 120.0° |
| C2 | C3 | C4 | 118.9° | 120.0° |
| C2 | C3 | H3 | 121.4° | 120.0° |
| C4 | C3 | H3 | 119.6° | 120.0° |
| C3 | C4 | C5 | 123.4° | 120.0° |
| C3 | C4 | H4 | 119.0° | 120.0° |
| C5 | C4 | H4 | 117.6° | 120.0° |
| C4 | C5 | C6 | 119.3° | 120.0° |
| C4 | C5 | H5 | 119.5° | 120.0° |
| C6 | C5 | H5 | 121.1° | 120.0° |
| C5 | C6 | H6 | 120.3° | 120.0° |
| O | C | H1 | 111.6° | 109.4° |
| O | C | H2A | 111.6° | 109.5° |
| C | O | C' | 117.6° | 120.1° |
| H1 | C | H2A | 98.8° | 109.5° |
| O | C' | O' | 118.5° | 120.0° |
| O | C' | N | 122.3° | 120.0° |
| O' | C' | N | 119.1° | 120.0° |
| C' | N | CM | 116.6° | 120.0° |
| C' | N | HN | 118.5° | 120.0° |
| CM | N | HN | 124.8° | 120.0° |
| N | CM | P | 103.7° | 109.5° |
| N | CM | HM1 | 114.4° | 109.5° |
| N | CM | HM2 | 114.4° | 109.5° |
| P | CM | HM1 | 114.4° | 109.5° |
| P | CM | HM2 | 114.4° | 109.4° |
| CM | P | O1P | 115.6° | 109.4° |
| CM | P | O2P | 119.0° | 109.5° |
| CM | P | O3P | 101.2° | 109.5° |
| HM1 | CM | HM2 | 96.0° | 109.4° |
| O1P | P | O2P | 98.3° | 109.5° |
| O1P | P | O3P | 106.9° | 109.5° |
| O2P | P | O3P | 115.9° | 109.5° |
| P | O2P | HOP2 | 118.9° | 106.8° |
| P | O3P | HOP3 | 101.2° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C | 176.5° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.4° | 0.0° |
| C1 | C2 | C3 | H3 | 178.6° | 179.9° |
| C2 | C1 | C6 | C5 | 1.6° | 0.6° |
| C2 | C1 | C6 | H6 | 178.4° | 179.9° |
| C2 | C1 | C | O | 34.0° | 90.0° |
| C2 | C1 | C | H1 | 159.2° | 30.0° |
| C2 | C1 | C | H2A | 91.3° | 150.0° |
| C6 | C1 | C2 | C3 | 1.8° | 0.3° |
| C6 | C1 | C2 | H2 | 178.2° | 179.7° |
| C1 | C6 | C5 | C4 | 1.1° | 0.5° |
| C1 | C6 | C5 | H6 | 180.0° | 179.5° |
| C1 | C6 | C5 | H5 | 178.9° | 179.7° |
| C6 | C1 | C | O | 149.4° | 90.3° |
| C6 | C1 | C | H1 | 24.1° | 149.7° |
| C6 | C1 | C | H2A | 85.4° | 29.7° |
| C | C1 | C2 | C3 | 178.3° | 180.0° |
| C | C1 | C2 | H2 | 1.7° | 0.0° |
| C | C1 | C6 | C5 | 178.2° | 179.8° |
| C | C1 | C6 | H6 | 1.9° | 0.2° |
| C1 | C | O | H1 | 125.2° | 120.0° |
| C1 | C | O | H2A | 125.3° | 120.0° |
| C1 | C | H1 | H2A | 117.5° | 120.0° |
| C1 | C | O | C' | 151.9° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.0° | 0.0° |
| C2 | C3 | C4 | H4 | 179.0° | 180.0° |
| H2 | C2 | C3 | C4 | 178.6° | 180.0° |
| H2 | C2 | C3 | H3 | 1.4° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.9° | 0.2° |
| C3 | C4 | C5 | H5 | 179.1° | 180.0° |
| H3 | C3 | C4 | C5 | 178.9° | 179.9° |
| H3 | C3 | C4 | H4 | 1.0° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C4 | C5 | C6 | H6 | 178.9° | 180.0° |
| H4 | C4 | C5 | C6 | 179.1° | 179.8° |
| H4 | C4 | C5 | H5 | 0.8° | 0.0° |
| H5 | C5 | C6 | H6 | 1.1° | 0.2° |
| O | C | H1 | H2A | 117.5° | 120.0° |
| C | O | C' | O' | 172.1° | 0.0° |
| C | O | C' | N | 9.9° | 180.0° |
| H1 | C | O | C' | 26.6° | 60.0° |
| H2A | C | O | C' | 82.9° | 59.9° |
| O | C' | O' | N | 178.0° | 180.0° |
| O | C' | N | CM | 179.2° | 180.0° |
| O | C' | N | HN | 0.8° | 0.0° |
| O' | C' | N | CM | 1.2° | 0.0° |
| O' | C' | N | HN | 178.8° | 180.0° |
| C' | N | CM | HN | 180.0° | 180.0° |
| C' | N | CM | P | 139.1° | 90.0° |
| C' | N | CM | HM1 | 95.6° | 30.0° |
| C' | N | CM | HM2 | 13.8° | 150.0° |
| N | CM | P | HM1 | 125.3° | 120.1° |
| N | CM | P | HM2 | 125.2° | 120.0° |
| N | CM | HM1 | HM2 | 120.2° | 120.0° |
| N | CM | P | O1P | 67.5° | 60.0° |
| N | CM | P | O2P | 49.1° | 180.0° |
| N | CM | P | O3P | 177.4° | 60.0° |
| HN | N | CM | P | 40.9° | 89.9° |
| HN | N | CM | HM1 | 84.4° | 150.0° |
| HN | N | CM | HM2 | 166.1° | 30.0° |
| P | CM | HM1 | HM2 | 120.3° | 119.9° |
| CM | P | O1P | O2P | 127.8° | 120.0° |
| CM | P | O1P | O3P | 111.8° | 120.0° |
| CM | P | O2P | O3P | 121.1° | 120.0° |
| CM | P | O2P | HOP2 | 180.0° | 180.0° |
| CM | P | O3P | HOP3 | 179.9° | 60.0° |
| HM1 | CM | P | O1P | 167.2° | 60.1° |
| HM1 | CM | P | O2P | 76.2° | 59.9° |
| HM1 | CM | P | O3P | 52.1° | 179.9° |
| HM2 | CM | P | O1P | 57.7° | 180.0° |
| HM2 | CM | P | O2P | 174.3° | 60.0° |
| HM2 | CM | P | O3P | 57.4° | 60.0° |
| O1P | P | O2P | O3P | 113.5° | 120.0° |
| O1P | P | O2P | HOP2 | 54.6° | 60.0° |
| O1P | P | O3P | HOP3 | 58.6° | 180.0° |
| O2P | P | O3P | HOP3 | 49.9° | 60.0° |
| O3P | P | O2P | HOP2 | 58.9° | 60.0° |
