NOP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | O1 | sing | 1.42Å | 1.19Å | |
| N1 | C2 | sing | 1.32Å | 1.36Å | Aromatic |
| N1 | C6 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | C2A | sing | 1.51Å | 1.50Å | |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2A | H2A1 | sing | 1.09Å | 1.12Å | |
| C2A | H2A2 | sing | 1.09Å | 1.12Å | |
| C2A | H2A3 | sing | 1.09Å | 1.12Å | |
| C3 | O3 | sing | 1.36Å | 1.35Å | |
| C3 | C4 | sing | 1.41Å | 1.36Å | Aromatic |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C4A | sing | 1.47Å | 1.49Å | |
| C4 | C5 | doub | 1.40Å | 1.43Å | Aromatic |
| C4A | O4A | doub | 1.21Å | 1.27Å | |
| C4A | H4A | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.38Å | 1.34Å | Aromatic |
| C5 | C5A | sing | 1.51Å | 1.49Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C5A | O4P | sing | 1.43Å | 1.41Å | |
| C5A | H5A1 | sing | 1.09Å | 1.12Å | |
| C5A | H5A2 | sing | 1.09Å | 1.11Å | |
| O4P | P | sing | 1.61Å | 1.53Å | |
| P | O1P | doub | 1.61Å | 1.47Å | |
| P | O2P | sing | 1.61Å | 1.46Å | |
| P | O3P | sing | 1.48Å | 1.47Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 3.85Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | N1 | C2 | 124.0° | 118.9° |
| O1 | N1 | C6 | 115.1° | 118.9° |
| C2 | N1 | C6 | 120.9° | 122.2° |
| N1 | C2 | C2A | 119.4° | 119.6° |
| N1 | C2 | C3 | 119.8° | 120.8° |
| N1 | C6 | C5 | 121.3° | 121.1° |
| N1 | C6 | H6 | 119.1° | 119.4° |
| C2A | C2 | C3 | 120.8° | 119.6° |
| C2 | C2A | H2A1 | 119.4° | 109.5° |
| C2 | C2A | H2A2 | 108.7° | 109.4° |
| C2 | C2A | H2A3 | 108.7° | 109.5° |
| C2 | C3 | O3 | 120.9° | 120.6° |
| C2 | C3 | C4 | 120.6° | 118.8° |
| H2A1 | C2A | H2A2 | 108.6° | 109.5° |
| H2A1 | C2A | H2A3 | 108.6° | 109.6° |
| H2A2 | C2A | H2A3 | 101.3° | 109.5° |
| O3 | C3 | C4 | 118.5° | 120.6° |
| C3 | O3 | HO3 | 120.9° | 106.8° |
| C3 | C4 | C4A | 119.1° | 121.0° |
| C3 | C4 | C5 | 117.4° | 118.0° |
| C4A | C4 | C5 | 123.6° | 121.0° |
| C4 | C4A | O4A | 124.9° | 120.0° |
| C4 | C4A | H4A | 126.4° | 120.0° |
| C4 | C5 | C6 | 120.1° | 119.1° |
| C4 | C5 | C5A | 123.4° | 120.5° |
| O4A | C4A | H4A | 108.7° | 120.0° |
| C6 | C5 | C5A | 116.4° | 120.5° |
| C5 | C6 | H6 | 119.7° | 119.5° |
| C5 | C5A | O4P | 115.8° | 109.5° |
| C5 | C5A | H5A1 | 109.9° | 109.5° |
| C5 | C5A | H5A2 | 109.9° | 109.5° |
| O4P | C5A | H5A1 | 109.9° | 109.5° |
| O4P | C5A | H5A2 | 109.9° | 109.5° |
| C5A | O4P | P | 120.8° | 106.8° |
| H5A1 | C5A | H5A2 | 100.3° | 109.5° |
| O4P | P | O1P | 104.3° | 109.5° |
| O4P | P | O2P | 97.0° | 109.5° |
| O4P | P | O3P | 108.3° | 109.5° |
| O1P | P | O2P | 114.7° | 109.5° |
| O1P | P | O3P | 115.4° | 109.5° |
| O2P | P | O3P | 114.6° | 109.5° |
| P | O2P | HOP2 | 97.0° | 106.8° |
| P | O3P | HOP3 | 108.3° | 61.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | N1 | C2 | C6 | 177.9° | 179.5° |
| O1 | N1 | C2 | C2A | 2.5° | 0.2° |
| O1 | N1 | C2 | C3 | 176.6° | 180.0° |
| O1 | N1 | C6 | C5 | 177.1° | 179.9° |
| O1 | N1 | C6 | H6 | 3.0° | 0.3° |
| N1 | C2 | C2A | C3 | 179.1° | 179.7° |
| N1 | C2 | C2A | H2A1 | 180.0° | 90.2° |
| N1 | C2 | C2A | H2A2 | 54.7° | 29.7° |
| N1 | C2 | C2A | H2A3 | 54.7° | 149.7° |
| N1 | C2 | C3 | O3 | 177.4° | 179.7° |
| N1 | C2 | C3 | C4 | 1.2° | 0.3° |
| C2 | N1 | C6 | C5 | 1.0° | 0.6° |
| C2 | N1 | C6 | H6 | 178.9° | 179.7° |
| C6 | N1 | C2 | C2A | 179.6° | 179.7° |
| C6 | N1 | C2 | C3 | 1.3° | 0.6° |
| N1 | C6 | C5 | C4 | 0.7° | 0.3° |
| N1 | C6 | C5 | H6 | 180.0° | 179.7° |
| N1 | C6 | C5 | C5A | 176.1° | 179.7° |
| C2 | C2A | H2A1 | H2A2 | 125.3° | 119.9° |
| C2 | C2A | H2A1 | H2A3 | 125.3° | 120.1° |
| C2 | C2A | H2A2 | H2A3 | 114.3° | 120.0° |
| C2A | C2 | C3 | O3 | 1.7° | 0.0° |
| C2A | C2 | C3 | C4 | 179.6° | 180.0° |
| C3 | C2 | C2A | H2A1 | 0.9° | 90.0° |
| C3 | C2 | C2A | H2A2 | 124.4° | 150.0° |
| C3 | C2 | C2A | H2A3 | 126.2° | 30.1° |
| C2 | C3 | O3 | C4 | 178.7° | 180.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 90.0° |
| C2 | C3 | C4 | C4A | 178.3° | 179.9° |
| C2 | C3 | C4 | C5 | 0.9° | 0.0° |
| H2A1 | C2A | H2A2 | H2A3 | 114.3° | 120.1° |
| O3 | C3 | C4 | C4A | 3.0° | 0.0° |
| O3 | C3 | C4 | C5 | 177.8° | 179.9° |
| C4 | C3 | O3 | HO3 | 1.3° | 90.0° |
| C3 | C4 | C4A | C5 | 179.2° | 179.9° |
| C3 | C4 | C4A | O4A | 26.4° | 0.1° |
| C3 | C4 | C4A | H4A | 153.6° | 180.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.0° |
| C3 | C4 | C5 | C5A | 175.9° | 180.0° |
| C4 | C4A | O4A | H4A | 180.0° | 179.9° |
| C4A | C4 | C5 | C6 | 178.5° | 180.0° |
| C4A | C4 | C5 | C5A | 4.8° | 0.1° |
| C5 | C4 | C4A | O4A | 152.8° | 180.0° |
| C5 | C4 | C4A | H4A | 27.2° | 0.1° |
| C4 | C5 | C6 | C5A | 176.9° | 180.0° |
| C4 | C5 | C6 | H6 | 179.2° | 180.0° |
| C4 | C5 | C5A | O4P | 78.8° | 180.0° |
| C4 | C5 | C5A | H5A1 | 156.0° | 60.0° |
| C4 | C5 | C5A | H5A2 | 46.5° | 60.0° |
| C6 | C5 | C5A | O4P | 104.5° | 0.0° |
| C6 | C5 | C5A | H5A1 | 20.8° | 120.0° |
| C6 | C5 | C5A | H5A2 | 130.3° | 120.0° |
| C5A | C5 | C6 | H6 | 3.9° | 0.1° |
| C5 | C5A | O4P | H5A1 | 125.2° | 120.0° |
| C5 | C5A | O4P | H5A2 | 125.3° | 120.0° |
| C5 | C5A | H5A1 | H5A2 | 115.7° | 120.0° |
| C5 | C5A | O4P | P | 161.8° | 180.0° |
| O4P | C5A | H5A1 | H5A2 | 115.7° | 120.0° |
| C5A | O4P | P | O1P | 53.8° | 175.0° |
| C5A | O4P | P | O2P | 171.6° | 65.0° |
| C5A | O4P | P | O3P | 69.6° | 55.0° |
| H5A1 | C5A | O4P | P | 73.0° | 60.0° |
| H5A2 | C5A | O4P | P | 36.5° | 60.0° |
| O4P | P | O1P | O2P | 104.9° | 120.0° |
| O4P | P | O1P | O3P | 118.7° | 120.0° |
| O4P | P | O2P | O3P | 113.9° | 120.0° |
| O4P | P | O2P | HOP2 | 180.0° | 60.0° |
| O4P | P | O3P | HOP3 | 180.0° | 17.8° |
| O1P | P | O2P | O3P | 136.8° | 120.0° |
| O1P | P | O2P | HOP2 | 70.7° | 60.0° |
| O1P | P | O3P | HOP3 | 63.6° | 137.8° |
| O2P | P | O3P | HOP3 | 73.0° | 102.2° |
| O3P | P | O2P | HOP2 | 66.1° | 180.0° |
