POB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | O2 | sing | 1.34Å | 1.24Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | O2P | sing | 1.43Å | 1.43Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C4 | H43 | sing | 1.09Å | 1.11Å | |
| O2P | P1 | sing | 1.61Å | 1.52Å | |
| P1 | O1P | doub | 1.48Å | 1.43Å | |
| P1 | O3P | sing | 1.61Å | 1.57Å | |
| P1 | C1' | sing | 1.82Å | 1.55Å | |
| O3P | P2 | sing | 1.61Å | 1.57Å | |
| P2 | O4P | doub | 1.48Å | 1.46Å | |
| P2 | O5P | sing | 1.61Å | 1.56Å | |
| P2 | O6P | sing | 1.61Å | 1.55Å | |
| O5P | HOP5 | sing | 0.97Å | 0.95Å | |
| O6P | HOP6 | sing | 0.97Å | 0.95Å | |
| C1' | N1' | sing | 1.47Å | 1.44Å | |
| C1' | C2' | sing | 1.53Å | 1.52Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N1' | HN11 | sing | 1.01Å | 1.02Å | |
| N1' | HN12 | sing | 1.01Å | 1.02Å | |
| C2' | H2'1 | sing | 1.09Å | 1.12Å | |
| C2' | H2'2 | sing | 1.09Å | 1.11Å | |
| C2' | H2'3 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 122.4° | 120.0° |
| O1 | C1 | C2 | 115.3° | 120.0° |
| O2 | C1 | C2 | 122.3° | 120.0° |
| C1 | O2 | HO2 | 122.4° | 120.0° |
| C1 | C2 | C3 | 109.1° | 109.5° |
| C1 | C2 | O2P | 107.9° | 109.5° |
| C1 | C2 | H2 | 110.1° | 109.5° |
| C3 | C2 | O2P | 107.3° | 109.5° |
| C3 | C2 | H2 | 110.6° | 109.5° |
| C2 | C3 | C4 | 116.2° | 109.5° |
| C2 | C3 | H31 | 109.8° | 109.5° |
| C2 | C3 | H32 | 109.8° | 109.5° |
| O2P | C2 | H2 | 111.7° | 109.4° |
| C2 | O2P | P1 | 121.3° | 106.8° |
| C4 | C3 | H31 | 109.8° | 109.4° |
| C4 | C3 | H32 | 109.8° | 109.5° |
| C3 | C4 | H41 | 116.1° | 109.5° |
| C3 | C4 | H42 | 109.7° | 109.5° |
| C3 | C4 | H43 | 109.7° | 109.5° |
| H31 | C3 | H32 | 100.4° | 109.5° |
| H41 | C4 | H42 | 109.8° | 109.5° |
| H41 | C4 | H43 | 109.8° | 109.5° |
| H42 | C4 | H43 | 100.5° | 109.4° |
| O2P | P1 | O1P | 118.0° | 109.5° |
| O2P | P1 | O3P | 105.8° | 109.5° |
| O2P | P1 | C1' | 108.4° | 109.5° |
| O1P | P1 | O3P | 102.7° | 109.5° |
| O1P | P1 | C1' | 111.3° | 109.4° |
| O3P | P1 | C1' | 110.1° | 109.5° |
| P1 | O3P | P2 | 130.6° | 106.8° |
| P1 | C1' | N1' | 124.5° | 109.5° |
| P1 | C1' | C2' | 112.4° | 109.4° |
| P1 | C1' | H1' | 94.8° | 109.5° |
| O3P | P2 | O4P | 119.3° | 109.5° |
| O3P | P2 | O5P | 101.9° | 109.5° |
| O3P | P2 | O6P | 102.2° | 109.5° |
| O4P | P2 | O5P | 115.7° | 109.5° |
| O4P | P2 | O6P | 108.3° | 109.4° |
| O5P | P2 | O6P | 108.2° | 109.4° |
| P2 | O5P | HOP5 | 101.9° | 106.9° |
| P2 | O6P | HOP6 | 102.1° | 106.8° |
| N1' | C1' | C2' | 110.6° | 109.4° |
| N1' | C1' | H1' | 97.5° | 109.5° |
| C1' | N1' | HN11 | 124.5° | 106.7° |
| C1' | N1' | HN12 | 106.9° | 106.6° |
| C2' | C1' | H1' | 115.0° | 109.4° |
| C1' | C2' | H2'1 | 112.3° | 109.4° |
| C1' | C2' | H2'2 | 111.1° | 109.5° |
| C1' | C2' | H2'3 | 111.1° | 109.5° |
| HN11 | N1' | HN12 | 106.9° | 106.7° |
| H2'1 | C2' | H2'2 | 111.2° | 109.5° |
| H2'1 | C2' | H2'3 | 111.1° | 109.5° |
| H2'2 | C2' | H2'3 | 99.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 179.1° | 180.0° |
| O1 | C1 | O2 | HO2 | 179.9° | 0.0° |
| O1 | C1 | C2 | C3 | 82.8° | 120.0° |
| O1 | C1 | C2 | O2P | 160.9° | 0.0° |
| O1 | C1 | C2 | H2 | 38.8° | 120.0° |
| O2 | C1 | C2 | C3 | 98.1° | 60.0° |
| O2 | C1 | C2 | O2P | 18.2° | 179.9° |
| O2 | C1 | C2 | H2 | 140.4° | 60.0° |
| C2 | C1 | O2 | HO2 | 0.9° | 180.0° |
| C1 | C2 | C3 | O2P | 116.7° | 120.0° |
| C1 | C2 | C3 | H2 | 121.2° | 120.0° |
| C1 | C2 | O2P | H2 | 121.1° | 120.0° |
| C1 | C2 | C3 | C4 | 4.5° | 180.0° |
| C1 | C2 | C3 | H31 | 120.7° | 60.0° |
| C1 | C2 | C3 | H32 | 129.8° | 60.0° |
| C1 | C2 | O2P | P1 | 103.6° | 120.0° |
| C3 | C2 | O2P | H2 | 121.4° | 120.0° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 115.5° | 120.0° |
| C2 | C3 | C4 | H41 | 180.0° | 180.0° |
| C2 | C3 | C4 | H42 | 54.8° | 60.0° |
| C2 | C3 | C4 | H43 | 54.8° | 60.0° |
| C3 | C2 | O2P | P1 | 139.0° | 120.0° |
| O2P | C2 | C3 | C4 | 121.2° | 59.9° |
| O2P | C2 | C3 | H31 | 4.1° | 60.1° |
| O2P | C2 | C3 | H32 | 113.5° | 180.0° |
| C2 | O2P | P1 | O1P | 46.0° | 60.0° |
| C2 | O2P | P1 | O3P | 68.2° | 60.0° |
| C2 | O2P | P1 | C1' | 173.6° | 179.9° |
| H2 | C2 | C3 | C4 | 116.7° | 60.0° |
| H2 | C2 | C3 | H31 | 118.0° | 180.0° |
| H2 | C2 | C3 | H32 | 8.6° | 60.0° |
| H2 | C2 | O2P | P1 | 17.6° | 0.0° |
| C4 | C3 | H31 | H32 | 115.6° | 120.0° |
| C3 | C4 | H41 | H42 | 125.2° | 120.0° |
| C3 | C4 | H41 | H43 | 125.2° | 120.0° |
| C3 | C4 | H42 | H43 | 115.5° | 120.0° |
| H31 | C3 | C4 | H41 | 54.7° | 60.0° |
| H31 | C3 | C4 | H42 | 180.0° | 60.1° |
| H31 | C3 | C4 | H43 | 70.5° | 180.0° |
| H32 | C3 | C4 | H41 | 54.7° | 60.0° |
| H32 | C3 | C4 | H42 | 70.5° | 180.0° |
| H32 | C3 | C4 | H43 | 180.0° | 60.0° |
| H41 | C4 | H42 | H43 | 115.7° | 120.0° |
| O2P | P1 | O1P | O3P | 115.9° | 120.0° |
| O2P | P1 | O1P | C1' | 126.2° | 120.0° |
| O2P | P1 | O3P | C1' | 117.0° | 120.1° |
| O2P | P1 | O3P | P2 | 75.8° | 179.7° |
| O2P | P1 | C1' | N1' | 152.3° | 55.7° |
| O2P | P1 | C1' | C2' | 69.7° | 64.2° |
| O2P | P1 | C1' | H1' | 49.8° | 175.8° |
| O1P | P1 | O3P | C1' | 118.6° | 119.9° |
| O1P | P1 | O3P | P2 | 159.8° | 60.3° |
| O1P | P1 | C1' | N1' | 76.3° | 64.3° |
| O1P | P1 | C1' | C2' | 61.7° | 175.8° |
| O1P | P1 | C1' | H1' | 178.8° | 55.8° |
| P1 | O3P | P2 | O4P | 154.8° | 44.5° |
| P1 | O3P | P2 | O5P | 76.3° | 164.6° |
| P1 | O3P | P2 | O6P | 35.6° | 75.5° |
| O3P | P1 | C1' | N1' | 36.9° | 175.7° |
| O3P | P1 | C1' | C2' | 174.9° | 55.8° |
| O3P | P1 | C1' | H1' | 65.6° | 64.1° |
| C1' | P1 | O3P | P2 | 41.2° | 59.6° |
| P1 | C1' | N1' | C2' | 138.6° | 119.9° |
| P1 | C1' | N1' | H1' | 101.1° | 120.1° |
| P1 | C1' | C2' | H1' | 107.0° | 120.0° |
| P1 | C1' | N1' | HN11 | 180.0° | 59.9° |
| P1 | C1' | N1' | HN12 | 54.7° | 53.8° |
| P1 | C1' | C2' | H2'1 | 180.0° | 180.0° |
| P1 | C1' | C2' | H2'2 | 54.7° | 60.0° |
| P1 | C1' | C2' | H2'3 | 54.8° | 60.0° |
| O3P | P2 | O4P | O5P | 122.3° | 120.1° |
| O3P | P2 | O4P | O6P | 116.1° | 120.0° |
| O3P | P2 | O5P | O6P | 107.2° | 120.0° |
| O3P | P2 | O5P | HOP5 | 180.0° | 180.0° |
| O3P | P2 | O6P | HOP6 | 180.0° | 60.0° |
| O4P | P2 | O5P | O6P | 121.6° | 119.9° |
| O4P | P2 | O5P | HOP5 | 48.8° | 59.9° |
| O4P | P2 | O6P | HOP6 | 53.2° | 180.0° |
| O5P | P2 | O6P | HOP6 | 72.9° | 60.0° |
| O6P | P2 | O5P | HOP5 | 72.8° | 60.0° |
| N1' | C1' | C2' | H1' | 109.1° | 120.0° |
| C1' | N1' | HN11 | HN12 | 125.3° | 113.7° |
| N1' | C1' | C2' | H2'1 | 36.1° | 60.0° |
| N1' | C1' | C2' | H2'2 | 161.4° | 180.0° |
| N1' | C1' | C2' | H2'3 | 89.1° | 60.0° |
| C2' | C1' | N1' | HN11 | 41.4° | 60.0° |
| C2' | C1' | N1' | HN12 | 166.6° | 173.7° |
| C1' | C2' | H2'1 | H2'2 | 125.2° | 120.0° |
| C1' | C2' | H2'1 | H2'3 | 125.2° | 120.0° |
| C1' | C2' | H2'2 | H2'3 | 117.0° | 120.0° |
| H1' | C1' | N1' | HN11 | 78.8° | 180.0° |
| H1' | C1' | N1' | HN12 | 46.4° | 66.3° |
| H1' | C1' | C2' | H2'1 | 73.1° | 60.0° |
| H1' | C1' | C2' | H2'2 | 52.2° | 60.0° |
| H1' | C1' | C2' | H2'3 | 161.8° | 180.0° |
| H2'1 | C2' | H2'2 | H2'3 | 117.1° | 120.0° |
