HDL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1A | HO1A | sing | 0.97Å | 0.95Å | |
| C1 | O1A | sing | 1.34Å | 1.26Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| O1B | C1 | doub | 1.21Å | 1.25Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.51Å | 1.55Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | doub | 1.21Å | 1.23Å | |
| C5 | N6 | sing | 1.35Å | 1.34Å | |
| N6 | O6 | sing | 1.42Å | 1.36Å | |
| N6 | H8 | sing | 0.97Å | 1.00Å | |
| O6 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| HO1A | O1A | C1 | 109.5° | 117.0° |
| O1A | C1 | C2 | 118.5° | 120.0° |
| O1A | C1 | O1B | 125.0° | 120.0° |
| C2 | C1 | O1B | 116.5° | 120.0° |
| C1 | C2 | O2 | 109.2° | 109.4° |
| C1 | C2 | H2 | 110.3° | 109.5° |
| C1 | C2 | C3 | 109.4° | 109.5° |
| O2 | C2 | H2 | 108.4° | 109.4° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| O2 | C2 | C3 | 111.2° | 109.5° |
| H2 | C2 | C3 | 108.3° | 109.5° |
| C2 | C3 | O3 | 111.4° | 109.4° |
| C2 | C3 | C4 | 114.9° | 109.5° |
| C2 | C3 | H3 | 103.5° | 109.5° |
| O3 | C3 | C4 | 107.1° | 109.5° |
| O3 | C3 | H3 | 111.9° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 108.1° | 109.5° |
| C3 | C4 | C5 | 114.2° | 109.5° |
| C3 | C4 | H4 | 104.6° | 109.5° |
| C3 | C4 | O4 | 110.7° | 109.4° |
| C5 | C4 | H4 | 108.3° | 109.5° |
| C5 | C4 | O4 | 107.3° | 109.5° |
| C4 | C5 | O5 | 122.3° | 120.0° |
| C4 | C5 | N6 | 117.1° | 119.9° |
| H4 | C4 | O4 | 111.9° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O5 | C5 | N6 | 120.6° | 120.0° |
| C5 | N6 | O6 | 122.3° | 120.0° |
| C5 | N6 | H8 | 118.8° | 120.0° |
| O6 | N6 | H8 | 118.8° | 120.0° |
| N6 | O6 | H9 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| HO1A | O1A | C1 | C2 | 179.8° | 179.9° |
| HO1A | O1A | C1 | O1B | 0.0° | 0.1° |
| O1A | C1 | C2 | O1B | 179.8° | 180.0° |
| O1A | C1 | C2 | O2 | 16.0° | 175.0° |
| O1A | C1 | C2 | H2 | 135.1° | 55.0° |
| O1A | C1 | C2 | C3 | 105.9° | 65.0° |
| C1 | C2 | O2 | H2 | 120.2° | 120.0° |
| C1 | C2 | O2 | C3 | 120.8° | 120.0° |
| C1 | C2 | H2 | C3 | 119.7° | 120.0° |
| C1 | C2 | O2 | HO2 | 118.2° | 60.0° |
| C1 | C2 | C3 | O3 | 67.2° | 55.0° |
| C1 | C2 | C3 | C4 | 170.8° | 174.9° |
| C1 | C2 | C3 | H3 | 53.1° | 65.0° |
| O1B | C1 | C2 | O2 | 163.8° | 5.0° |
| O1B | C1 | C2 | H2 | 44.7° | 125.0° |
| O1B | C1 | C2 | C3 | 74.3° | 115.0° |
| O2 | C2 | H2 | C3 | 120.8° | 120.0° |
| O2 | C2 | C3 | O3 | 53.5° | 65.0° |
| O2 | C2 | C3 | C4 | 68.5° | 55.0° |
| O2 | C2 | C3 | H3 | 173.9° | 175.0° |
| H2 | C2 | O2 | HO2 | 121.5° | 180.0° |
| H2 | C2 | C3 | O3 | 172.6° | 175.0° |
| H2 | C2 | C3 | C4 | 50.6° | 65.0° |
| H2 | C2 | C3 | H3 | 67.1° | 55.0° |
| HO2 | O2 | C2 | C3 | 2.6° | 60.0° |
| C2 | C3 | O3 | C4 | 126.4° | 120.0° |
| C2 | C3 | O3 | H3 | 115.3° | 120.0° |
| C2 | C3 | C4 | H3 | 115.0° | 120.0° |
| C2 | C3 | O3 | HO3 | 87.7° | 60.1° |
| C2 | C3 | C4 | C5 | 80.7° | 180.0° |
| C2 | C3 | C4 | H4 | 37.5° | 59.9° |
| C2 | C3 | C4 | O4 | 158.2° | 60.0° |
| O3 | C3 | C4 | H3 | 120.7° | 120.0° |
| O3 | C3 | C4 | C5 | 43.6° | 60.1° |
| O3 | C3 | C4 | H4 | 161.8° | 60.0° |
| O3 | C3 | C4 | O4 | 77.5° | 180.0° |
| C4 | C3 | O3 | HO3 | 145.9° | 59.9° |
| C3 | C4 | C5 | H4 | 116.0° | 120.1° |
| C3 | C4 | C5 | O4 | 123.0° | 119.9° |
| C3 | C4 | H4 | O4 | 119.9° | 119.9° |
| C3 | C4 | O4 | HO4 | 53.5° | 60.0° |
| C3 | C4 | C5 | O5 | 118.9° | 114.9° |
| C3 | C4 | C5 | N6 | 61.1° | 65.1° |
| H3 | C3 | O3 | HO3 | 27.6° | 180.0° |
| H3 | C3 | C4 | C5 | 164.3° | 59.9° |
| H3 | C3 | C4 | H4 | 77.5° | 180.0° |
| H3 | C3 | C4 | O4 | 43.2° | 60.0° |
| C5 | C4 | H4 | O4 | 118.0° | 120.0° |
| C5 | C4 | O4 | HO4 | 178.7° | 60.0° |
| C4 | C5 | O5 | N6 | 180.0° | 180.0° |
| C4 | C5 | N6 | O6 | 72.4° | 180.0° |
| C4 | C5 | N6 | H8 | 107.6° | 0.0° |
| H4 | C4 | O4 | HO4 | 62.7° | 180.0° |
| H4 | C4 | C5 | O5 | 125.1° | 125.0° |
| H4 | C4 | C5 | N6 | 54.9° | 55.0° |
| O4 | C4 | C5 | O5 | 4.2° | 5.0° |
| O4 | C4 | C5 | N6 | 175.8° | 175.0° |
| O5 | C5 | N6 | O6 | 107.6° | 0.0° |
| O5 | C5 | N6 | H8 | 72.4° | 180.0° |
| C5 | N6 | O6 | H8 | 180.0° | 180.0° |
| C5 | N6 | O6 | H9 | 113.4° | 180.0° |
| H8 | N6 | O6 | H9 | 66.6° | 0.0° |
