PBW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C7' | sing | 1.43Å | 1.46Å | |
| C1' | C7' | sing | 1.53Å | 1.52Å | |
| C1' | C2' | sing | 1.53Å | 1.54Å | |
| O2' | C2' | sing | 1.43Å | 1.46Å | |
| C7' | C5' | sing | 1.53Å | 1.52Å | |
| C2' | C3' | sing | 1.53Å | 1.55Å | |
| C5' | C6' | sing | 1.53Å | 1.56Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C3' | C4' | sing | 1.53Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C6' | O6' | sing | 1.43Å | 1.43Å | |
| C4' | O4' | sing | 1.43Å | 1.42Å | |
| O4' | H1 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C1' | H1'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| O6' | HO6' | sing | 0.97Å | 0.95Å | |
| C6' | H6'2 | sing | 1.09Å | 1.10Å | |
| C6' | H6'1 | sing | 1.09Å | 1.10Å | |
| C7' | H7' | sing | 1.09Å | 1.10Å | |
| C1' | O1' | sing | 1.43Å | 1.42Å | |
| O1' | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C7' | C1' | 109.8° | 109.4° |
| O7 | C7' | C5' | 109.5° | 109.5° |
| C7' | O7 | HO7 | 109.5° | 114.0° |
| O7 | C7' | H7' | 108.5° | 109.5° |
| C7' | C1' | C2' | 112.6° | 109.4° |
| C1' | C7' | C5' | 113.5° | 109.5° |
| C7' | C1' | H1'1 | 110.7° | 109.5° |
| C1' | C7' | H7' | 107.7° | 109.5° |
| C7' | C1' | O1' | 105.4° | 109.5° |
| C1' | C2' | O2' | 110.5° | 109.4° |
| C1' | C2' | C3' | 113.7° | 109.5° |
| C2' | C1' | H1'1 | 110.4° | 109.5° |
| C1' | C2' | H2' | 107.0° | 109.4° |
| C2' | C1' | O1' | 105.5° | 109.4° |
| O2' | C2' | C3' | 110.5° | 109.5° |
| O2' | C2' | H2' | 108.0° | 109.5° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C7' | C5' | C6' | 111.5° | 109.5° |
| C7' | C5' | C4' | 109.8° | 109.5° |
| C7' | C5' | H5' | 108.0° | 109.4° |
| C5' | C7' | H7' | 107.7° | 109.5° |
| C2' | C3' | C4' | 106.8° | 109.5° |
| C2' | C3' | O3' | 110.7° | 109.5° |
| C3' | C2' | H2' | 106.9° | 109.5° |
| C2' | C3' | H3' | 108.7° | 109.4° |
| C6' | C5' | C4' | 112.0° | 109.5° |
| C5' | C6' | O6' | 112.4° | 109.5° |
| C6' | C5' | H5' | 107.5° | 109.5° |
| C5' | C6' | H6'2 | 108.8° | 109.5° |
| C5' | C6' | H6'1 | 108.7° | 109.5° |
| C5' | C4' | C3' | 107.7° | 109.5° |
| C5' | C4' | O4' | 114.6° | 109.5° |
| C5' | C4' | H4' | 108.0° | 109.5° |
| C4' | C5' | H5' | 108.0° | 109.5° |
| C4' | C3' | O3' | 111.1° | 109.5° |
| C3' | C4' | O4' | 109.0° | 109.5° |
| C4' | C3' | H3' | 109.1° | 109.5° |
| C3' | C4' | H4' | 108.1° | 109.4° |
| O3' | C3' | H3' | 110.3° | 109.5° |
| C3' | O3' | HO3' | 109.5° | 114.1° |
| C6' | O6' | HO6' | 109.5° | 114.1° |
| O6' | C6' | H6'2 | 108.7° | 109.5° |
| O6' | C6' | H6'1 | 108.8° | 109.5° |
| C4' | O4' | H1 | 109.5° | 114.0° |
| O4' | C4' | H4' | 109.2° | 109.5° |
| H1'1 | C1' | O1' | 112.1° | 109.5° |
| H6'2 | C6' | H6'1 | 109.4° | 109.4° |
| C1' | O1' | H2 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C7' | C1' | C5' | 122.9° | 120.0° |
| O7 | C7' | C1' | H7' | 117.9° | 120.0° |
| O7 | C7' | C1' | C2' | 165.9° | 180.0° |
| O7 | C7' | C5' | H7' | 117.8° | 120.0° |
| O7 | C7' | C5' | C6' | 57.9° | 60.0° |
| O7 | C7' | C5' | C4' | 177.4° | 180.0° |
| O7 | C7' | C1' | H1'1 | 41.9° | 60.0° |
| O7 | C7' | C5' | H5' | 59.9° | 60.0° |
| O7 | C7' | C1' | O1' | 79.6° | 60.1° |
| C7' | C1' | C2' | H1'1 | 124.2° | 120.0° |
| C7' | C1' | C2' | O1' | 114.5° | 120.0° |
| C7' | C1' | C2' | O2' | 169.8° | 180.0° |
| C1' | C7' | C5' | H7' | 119.1° | 120.1° |
| C7' | C1' | C2' | C3' | 44.8° | 60.0° |
| C1' | C7' | C5' | C6' | 179.0° | 179.9° |
| C1' | C7' | C5' | C4' | 54.3° | 60.0° |
| C1' | C7' | O7 | HO7 | 180.0° | 60.1° |
| C7' | C1' | H1'1 | O1' | 117.4° | 120.0° |
| C7' | C1' | C2' | H2' | 72.9° | 60.0° |
| C1' | C7' | C5' | H5' | 63.1° | 60.0° |
| C7' | C1' | O1' | H2 | 180.0° | 180.0° |
| C1' | C2' | O2' | C3' | 126.8° | 120.0° |
| C1' | C2' | O2' | H2' | 116.6° | 120.0° |
| C2' | C1' | C7' | C5' | 43.0° | 60.0° |
| C1' | C2' | C3' | H2' | 117.8° | 120.0° |
| C1' | C2' | C3' | C4' | 56.6° | 60.0° |
| C1' | C2' | C3' | O3' | 177.6° | 180.0° |
| C2' | C1' | H1'1 | O1' | 117.3° | 120.0° |
| C1' | C2' | O2' | HO2' | 180.0° | 179.9° |
| C1' | C2' | C3' | H3' | 61.1° | 60.0° |
| C2' | C1' | C7' | H7' | 76.2° | 60.0° |
| C2' | C1' | O1' | H2 | 60.6° | 60.0° |
| O2' | C2' | C3' | H2' | 117.2° | 120.1° |
| O2' | C2' | C3' | C4' | 178.5° | 179.9° |
| O2' | C2' | C3' | O3' | 57.5° | 60.0° |
| O2' | C2' | C1' | H1'1 | 45.6° | 60.0° |
| O2' | C2' | C3' | H3' | 63.9° | 60.0° |
| O2' | C2' | C1' | O1' | 75.7° | 60.0° |
| C7' | C5' | C6' | C4' | 123.5° | 120.0° |
| C7' | C5' | C6' | H5' | 118.1° | 119.9° |
| C7' | C5' | C4' | H5' | 117.5° | 120.0° |
| C7' | C5' | C4' | C3' | 66.8° | 60.0° |
| C7' | C5' | C6' | O6' | 65.0° | 65.0° |
| C7' | C5' | C4' | O4' | 171.7° | 180.0° |
| C5' | C7' | O7 | HO7 | 54.7° | 179.9° |
| C5' | C7' | C1' | H1'1 | 81.1° | 60.0° |
| C7' | C5' | C4' | H4' | 49.7° | 60.0° |
| C7' | C5' | C6' | H6'2 | 55.5° | 175.0° |
| C7' | C5' | C6' | H6'1 | 174.6° | 55.1° |
| C5' | C7' | C1' | O1' | 157.5° | 180.0° |
| C2' | C3' | C4' | C5' | 66.7° | 60.0° |
| C2' | C3' | C4' | O3' | 120.8° | 120.0° |
| C2' | C3' | C4' | H3' | 117.4° | 119.9° |
| C2' | C3' | O3' | H3' | 120.3° | 120.0° |
| C2' | C3' | C4' | O4' | 168.4° | 180.0° |
| C3' | C2' | C1' | H1'1 | 79.4° | 60.0° |
| C3' | C2' | O2' | HO2' | 53.2° | 60.0° |
| C2' | C3' | O3' | HO3' | 180.0° | 60.0° |
| C2' | C3' | C4' | H4' | 49.8° | 60.0° |
| C3' | C2' | C1' | O1' | 159.3° | 180.0° |
| C6' | C5' | C4' | H5' | 118.1° | 120.0° |
| C6' | C5' | C4' | C3' | 168.8° | 180.0° |
| C5' | C6' | O6' | H6'2 | 120.5° | 120.0° |
| C5' | C6' | O6' | H6'1 | 120.5° | 120.0° |
| C6' | C5' | C4' | O4' | 47.3° | 60.0° |
| C6' | C5' | C4' | H4' | 74.7° | 60.0° |
| C5' | C6' | O6' | HO6' | 180.0° | 180.0° |
| C5' | C6' | H6'2 | H6'1 | 118.7° | 120.0° |
| C6' | C5' | C7' | H7' | 59.9° | 60.0° |
| C5' | C4' | C3' | O4' | 124.9° | 120.0° |
| C5' | C4' | C3' | H4' | 116.5° | 120.0° |
| C5' | C4' | C3' | O3' | 172.6° | 180.0° |
| C4' | C5' | C6' | O6' | 58.5° | 175.0° |
| C5' | C4' | O4' | H4' | 121.4° | 120.0° |
| C5' | C4' | O4' | H1 | 180.0° | 180.0° |
| C5' | C4' | C3' | H3' | 50.7° | 59.9° |
| C4' | C5' | C6' | H6'2 | 178.9° | 55.0° |
| C4' | C5' | C6' | H6'1 | 62.0° | 65.0° |
| C4' | C5' | C7' | H7' | 64.8° | 60.1° |
| C4' | C3' | O3' | H3' | 121.2° | 120.0° |
| C3' | C4' | O4' | H4' | 117.8° | 120.0° |
| C3' | C4' | O4' | H1 | 59.2° | 59.9° |
| C4' | C3' | C2' | H2' | 61.2° | 60.0° |
| C4' | C3' | O3' | HO3' | 61.6° | 180.0° |
| C3' | C4' | C5' | H5' | 50.7° | 60.0° |
| O3' | C3' | C4' | O4' | 47.6° | 60.0° |
| O3' | C3' | C2' | H2' | 59.8° | 60.1° |
| O3' | C3' | C4' | H4' | 70.9° | 60.0° |
| O6' | C6' | C5' | H5' | 176.9° | 55.0° |
| O6' | C6' | H6'2 | H6'1 | 118.7° | 120.0° |
| O4' | C4' | C3' | H3' | 74.3° | 60.1° |
| O4' | C4' | C5' | H5' | 70.8° | 60.1° |
| H1 | O4' | C4' | H4' | 58.6° | 60.0° |
| HO7 | O7 | C7' | H7' | 62.6° | 60.0° |
| H1'1 | C1' | C2' | H2' | 162.8° | 180.0° |
| H1'1 | C1' | C7' | H7' | 159.8° | 180.0° |
| H1'1 | C1' | O1' | H2 | 59.5° | 60.0° |
| H2' | C2' | O2' | HO2' | 63.4° | 60.1° |
| H2' | C2' | C3' | H3' | 178.9° | 179.9° |
| H2' | C2' | C1' | O1' | 41.5° | 60.0° |
| H3' | C3' | O3' | HO3' | 59.6° | 59.9° |
| H3' | C3' | C4' | H4' | 167.2° | 179.9° |
| H4' | C4' | C5' | H5' | 167.2° | 180.0° |
| H5' | C5' | C6' | H6'2 | 62.7° | 65.1° |
| H5' | C5' | C6' | H6'1 | 56.4° | 175.0° |
| H5' | C5' | C7' | H7' | 177.7° | 179.9° |
| HO6' | O6' | C6' | H6'2 | 59.6° | 60.0° |
| HO6' | O6' | C6' | H6'1 | 59.5° | 60.0° |
| H7' | C7' | C1' | O1' | 38.3° | 59.9° |
