APO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.47Å | 1.47Å | |
| C1 | C3 | sing | 1.51Å | 1.57Å | |
| C1 | C6 | sing | 1.53Å | 1.58Å | |
| C1 | HC1 | sing | 1.09Å | 1.12Å | |
| N2 | HN21 | sing | 1.01Å | 1.02Å | |
| N2 | HN22 | sing | 1.01Å | 1.02Å | |
| C3 | O4 | doub | 1.21Å | 1.22Å | |
| C3 | O5 | sing | 1.34Å | 1.38Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C6 | P7 | sing | 1.82Å | 1.79Å | |
| C6 | HC61 | sing | 1.09Å | 1.11Å | |
| C6 | HC62 | sing | 1.09Å | 1.12Å | |
| P7 | O8 | sing | 1.61Å | 1.61Å | |
| P7 | O9 | sing | 1.61Å | 1.62Å | |
| P7 | O10 | doub | 1.48Å | 1.61Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C3 | 112.7° | 109.4° |
| N2 | C1 | C6 | 106.5° | 109.5° |
| N2 | C1 | HC1 | 111.9° | 109.4° |
| C1 | N2 | HN21 | 111.0° | 106.7° |
| C1 | N2 | HN22 | 112.7° | 106.7° |
| C3 | C1 | C6 | 116.0° | 109.5° |
| C3 | C1 | HC1 | 101.5° | 109.5° |
| C1 | C3 | O4 | 121.9° | 120.1° |
| C1 | C3 | O5 | 114.9° | 120.0° |
| C6 | C1 | HC1 | 108.2° | 109.5° |
| C1 | C6 | P7 | 113.6° | 109.4° |
| C1 | C6 | HC61 | 110.7° | 109.5° |
| C1 | C6 | HC62 | 110.7° | 109.5° |
| HN21 | N2 | HN22 | 111.1° | 106.7° |
| O4 | C3 | O5 | 123.3° | 119.9° |
| C3 | O5 | HO5 | 114.9° | 120.0° |
| P7 | C6 | HC61 | 110.7° | 109.5° |
| P7 | C6 | HC62 | 110.7° | 109.5° |
| C6 | P7 | O8 | 105.5° | 109.4° |
| C6 | P7 | O9 | 111.0° | 109.5° |
| C6 | P7 | O10 | 113.2° | 109.5° |
| HC61 | C6 | HC62 | 99.6° | 109.5° |
| O8 | P7 | O9 | 108.8° | 109.4° |
| O8 | P7 | O10 | 105.1° | 109.4° |
| P7 | O8 | HO8 | 105.5° | 106.8° |
| O9 | P7 | O10 | 112.7° | 109.5° |
| P7 | O9 | HO9 | 111.0° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C3 | C6 | 123.2° | 120.0° |
| N2 | C1 | C3 | HC1 | 119.8° | 119.9° |
| N2 | C1 | C6 | HC1 | 120.5° | 120.0° |
| C1 | N2 | HN21 | HN22 | 126.2° | 113.9° |
| N2 | C1 | C3 | O4 | 160.2° | 30.1° |
| N2 | C1 | C3 | O5 | 21.0° | 150.1° |
| N2 | C1 | C6 | P7 | 87.2° | 60.0° |
| N2 | C1 | C6 | HC61 | 38.0° | 180.0° |
| N2 | C1 | C6 | HC62 | 147.5° | 60.0° |
| C3 | C1 | C6 | HC1 | 113.2° | 120.1° |
| C3 | C1 | N2 | HN21 | 54.7° | 60.1° |
| C3 | C1 | N2 | HN22 | 180.0° | 53.8° |
| C1 | C3 | O4 | O5 | 178.8° | 179.9° |
| C1 | C3 | O5 | HO5 | 180.0° | 180.0° |
| C3 | C1 | C6 | P7 | 146.4° | 179.9° |
| C3 | C1 | C6 | HC61 | 88.3° | 60.1° |
| C3 | C1 | C6 | HC62 | 21.2° | 60.0° |
| C6 | C1 | N2 | HN21 | 177.0° | 60.0° |
| C6 | C1 | N2 | HN22 | 51.7° | 173.8° |
| C6 | C1 | C3 | O4 | 37.0° | 89.9° |
| C6 | C1 | C3 | O5 | 144.1° | 89.9° |
| C1 | C6 | P7 | HC61 | 125.3° | 120.0° |
| C1 | C6 | P7 | HC62 | 125.3° | 120.0° |
| C1 | C6 | HC61 | HC62 | 116.5° | 120.0° |
| C1 | C6 | P7 | O8 | 66.9° | 180.0° |
| C1 | C6 | P7 | O9 | 50.8° | 60.1° |
| C1 | C6 | P7 | O10 | 178.7° | 60.0° |
| HC1 | C1 | N2 | HN21 | 58.9° | 180.0° |
| HC1 | C1 | N2 | HN22 | 66.4° | 66.2° |
| HC1 | C1 | C3 | O4 | 80.0° | 150.0° |
| HC1 | C1 | C3 | O5 | 98.8° | 30.1° |
| HC1 | C1 | C6 | P7 | 33.2° | 60.0° |
| HC1 | C1 | C6 | HC61 | 158.5° | 60.0° |
| HC1 | C1 | C6 | HC62 | 92.0° | 180.0° |
| O4 | C3 | O5 | HO5 | 1.2° | 0.1° |
| P7 | C6 | HC61 | HC62 | 116.6° | 120.0° |
| C6 | P7 | O8 | O9 | 119.1° | 120.0° |
| C6 | P7 | O8 | O10 | 119.9° | 120.0° |
| C6 | P7 | O9 | O10 | 128.2° | 120.1° |
| C6 | P7 | O8 | HO8 | 180.0° | 180.0° |
| C6 | P7 | O9 | HO9 | 180.0° | 59.9° |
| HC61 | C6 | P7 | O8 | 58.4° | 60.0° |
| HC61 | C6 | P7 | O9 | 176.0° | 180.0° |
| HC61 | C6 | P7 | O10 | 56.1° | 59.9° |
| HC62 | C6 | P7 | O8 | 167.9° | 60.0° |
| HC62 | C6 | P7 | O9 | 74.5° | 59.9° |
| HC62 | C6 | P7 | O10 | 53.4° | 180.0° |
| O8 | P7 | O9 | O10 | 116.2° | 120.0° |
| O8 | P7 | O9 | HO9 | 64.4° | 60.0° |
| O9 | P7 | O8 | HO8 | 60.9° | 60.0° |
| O10 | P7 | O8 | HO8 | 60.1° | 60.0° |
| O10 | P7 | O9 | HO9 | 51.8° | 180.0° |
