XQA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7' | C7' | doub | 1.21Å | 1.23Å | |
| C8' | C7' | sing | 1.51Å | 1.51Å | |
| C7' | N2' | sing | 1.35Å | 1.34Å | |
| N2' | C2' | sing | 1.46Å | 1.46Å | |
| O2A | PA | doub | 1.48Å | 1.51Å | |
| C2' | C1' | sing | 1.53Å | 1.52Å | |
| C2' | C3' | sing | 1.53Å | 1.52Å | |
| O3' | C3' | sing | 1.43Å | 1.45Å | |
| O74 | C74 | doub | 1.21Å | 1.23Å | |
| C1' | O5' | sing | 1.43Å | 1.40Å | |
| C1' | O1' | sing | 1.43Å | 1.41Å | |
| C3' | C4' | sing | 1.53Å | 1.53Å | |
| C4' | N4A | sing | 1.46Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.58Å | |
| O1A | PA | sing | 1.61Å | 1.51Å | |
| PA | O3A | sing | 1.61Å | 1.57Å | |
| PA | O5B | sing | 1.61Å | 1.60Å | |
| C74 | N4A | sing | 1.35Å | 1.37Å | |
| C74 | C84 | sing | 1.51Å | 1.49Å | |
| O3A | PB | sing | 1.61Å | 1.61Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| O1' | PB | sing | 1.61Å | 1.61Å | |
| C5' | C6' | sing | 1.53Å | 1.54Å | |
| O1B | PB | doub | 1.48Å | 1.52Å | |
| O5B | C5B | sing | 1.43Å | 1.42Å | |
| PB | O2B | sing | 1.61Å | 1.49Å | |
| C5B | C4B | sing | 1.53Å | 1.53Å | |
| C5 | C6 | doub | 1.35Å | 1.40Å | |
| C5 | C4 | sing | 1.42Å | 1.39Å | |
| C6 | N1 | sing | 1.37Å | 1.36Å | |
| C3B | C2B | sing | 1.55Å | 1.52Å | |
| C3B | O2' | sing | 1.43Å | 1.42Å | |
| C3B | C1B | sing | 1.55Å | 1.51Å | |
| C2B | C4B | sing | 1.54Å | 1.51Å | |
| C2B | O3B | sing | 1.43Å | 1.44Å | |
| O4 | C4 | doub | 1.22Å | 1.28Å | |
| C4 | N3 | sing | 1.35Å | 1.35Å | |
| C4B | O4B | sing | 1.44Å | 1.42Å | |
| O4B | C1B | sing | 1.44Å | 1.43Å | |
| N1 | C1B | sing | 1.47Å | 1.45Å | |
| N1 | C2 | sing | 1.35Å | 1.40Å | |
| N3 | C2 | sing | 1.35Å | 1.37Å | |
| C2 | O2 | doub | 1.22Å | 1.26Å | |
| C84 | H1 | sing | 1.09Å | 1.10Å | |
| C84 | H2 | sing | 1.09Å | 1.10Å | |
| C84 | H3 | sing | 1.09Å | 1.10Å | |
| N4A | H4 | sing | 0.97Å | 1.00Å | |
| C4' | H5 | sing | 1.09Å | 1.10Å | |
| C3' | H6 | sing | 1.09Å | 1.10Å | |
| O3' | H7 | sing | 0.97Å | 0.95Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| C6' | H9 | sing | 1.09Å | 1.10Å | |
| C6' | H10 | sing | 1.09Å | 1.10Å | |
| C6' | H11 | sing | 1.09Å | 1.10Å | |
| C1' | H12 | sing | 1.09Å | 1.10Å | |
| C2' | H13 | sing | 1.09Å | 1.10Å | |
| N2' | H14 | sing | 0.97Å | 1.00Å | |
| C8' | H15 | sing | 1.09Å | 1.10Å | |
| C8' | H16 | sing | 1.09Å | 1.10Å | |
| C8' | H17 | sing | 1.09Å | 1.10Å | |
| O2B | H18 | sing | 0.97Å | 0.95Å | |
| O1A | H19 | sing | 0.97Å | 0.95Å | |
| C5B | H20 | sing | 1.09Å | 1.10Å | |
| C5B | H21 | sing | 1.09Å | 1.10Å | |
| C4B | H22 | sing | 1.09Å | 1.10Å | |
| C2B | H23 | sing | 1.09Å | 1.10Å | |
| O3B | H24 | sing | 0.97Å | 0.95Å | |
| C3B | H25 | sing | 1.09Å | 1.10Å | |
| O2' | H26 | sing | 0.97Å | 0.95Å | |
| C1B | H27 | sing | 1.09Å | 1.10Å | |
| C6 | H28 | sing | 1.08Å | 1.08Å | |
| C5 | H29 | sing | 1.08Å | 1.08Å | |
| N3 | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7' | C7' | C8' | 122.9° | 120.1° |
| O7' | C7' | N2' | 119.7° | 120.0° |
| C8' | C7' | N2' | 117.4° | 120.0° |
| C7' | C8' | H15 | 109.5° | 109.5° |
| C7' | C8' | H16 | 109.5° | 109.5° |
| C7' | C8' | H17 | 109.4° | 109.5° |
| C7' | N2' | C2' | 120.8° | 120.0° |
| C7' | N2' | H14 | 119.6° | 120.0° |
| N2' | C2' | C1' | 108.5° | 109.6° |
| N2' | C2' | C3' | 112.2° | 109.5° |
| N2' | C2' | H13 | 108.8° | 109.6° |
| C2' | N2' | H14 | 119.6° | 120.0° |
| O2A | PA | O1A | 112.6° | 109.5° |
| O2A | PA | O3A | 110.3° | 109.5° |
| O2A | PA | O5B | 108.6° | 109.4° |
| C1' | C2' | C3' | 111.3° | 109.2° |
| C2' | C1' | O5' | 113.5° | 109.4° |
| C2' | C1' | O1' | 109.4° | 109.5° |
| C2' | C1' | H12 | 108.3° | 109.5° |
| C1' | C2' | H13 | 108.0° | 109.6° |
| C2' | C3' | O3' | 109.3° | 109.7° |
| C2' | C3' | C4' | 105.5° | 109.0° |
| C2' | C3' | H6 | 108.6° | 109.5° |
| C3' | C2' | H13 | 107.9° | 109.4° |
| O3' | C3' | C4' | 115.1° | 109.6° |
| O3' | C3' | H6 | 109.5° | 109.5° |
| C3' | O3' | H7 | 109.5° | 114.0° |
| O74 | C74 | N4A | 129.9° | 120.0° |
| O74 | C74 | C84 | 117.3° | 120.0° |
| O5' | C1' | O1' | 106.1° | 109.5° |
| C1' | O5' | C5' | 114.1° | 114.1° |
| O5' | C1' | H12 | 109.8° | 109.5° |
| C1' | O1' | PB | 117.6° | 123.0° |
| O1' | C1' | H12 | 109.7° | 109.5° |
| C3' | C4' | N4A | 112.9° | 109.5° |
| C3' | C4' | C5' | 107.9° | 109.2° |
| C3' | C4' | H5 | 107.6° | 109.6° |
| C4' | C3' | H6 | 108.6° | 109.6° |
| N4A | C4' | C5' | 112.5° | 109.5° |
| C4' | N4A | C74 | 129.7° | 120.0° |
| C4' | N4A | H4 | 115.1° | 120.0° |
| N4A | C4' | H5 | 108.6° | 109.5° |
| C4' | C5' | O5' | 110.2° | 109.4° |
| C4' | C5' | C6' | 121.3° | 109.5° |
| C5' | C4' | H5 | 107.0° | 109.5° |
| C4' | C5' | H8 | 106.6° | 109.5° |
| O1A | PA | O3A | 107.4° | 109.5° |
| O1A | PA | O5B | 110.3° | 109.4° |
| PA | O1A | H19 | 109.5° | 114.0° |
| O3A | PA | O5B | 107.4° | 109.5° |
| PA | O3A | PB | 130.6° | 134.0° |
| PA | O5B | C5B | 127.4° | 123.0° |
| N4A | C74 | C84 | 112.8° | 120.0° |
| C74 | N4A | H4 | 115.2° | 120.0° |
| C74 | C84 | H1 | 109.5° | 109.4° |
| C74 | C84 | H2 | 109.4° | 109.5° |
| C74 | C84 | H3 | 109.4° | 109.4° |
| O3A | PB | O1' | 101.1° | 109.5° |
| O3A | PB | O1B | 101.1° | 109.4° |
| O3A | PB | O2B | 116.4° | 109.4° |
| O5' | C5' | C6' | 102.6° | 109.4° |
| O5' | C5' | H8 | 108.4° | 109.5° |
| O1' | PB | O1B | 113.7° | 109.5° |
| O1' | PB | O2B | 100.0° | 109.5° |
| C6' | C5' | H8 | 107.1° | 109.5° |
| C5' | C6' | H9 | 109.5° | 109.4° |
| C5' | C6' | H10 | 109.5° | 109.5° |
| C5' | C6' | H11 | 109.5° | 109.5° |
| O1B | PB | O2B | 122.9° | 109.5° |
| O5B | C5B | C4B | 107.5° | 109.5° |
| O5B | C5B | H20 | 110.0° | 109.4° |
| O5B | C5B | H21 | 110.0° | 109.5° |
| PB | O2B | H18 | 109.5° | 114.0° |
| C5B | C4B | C2B | 114.6° | 109.9° |
| C5B | C4B | O4B | 103.7° | 109.9° |
| C4B | C5B | H20 | 110.0° | 109.5° |
| C4B | C5B | H21 | 110.0° | 109.5° |
| C5B | C4B | H22 | 109.2° | 109.9° |
| C6 | C5 | C4 | 119.8° | 119.1° |
| C5 | C6 | N1 | 118.3° | 119.7° |
| C5 | C6 | H28 | 120.9° | 120.2° |
| C6 | C5 | H29 | 120.1° | 120.5° |
| C5 | C4 | O4 | 120.6° | 120.3° |
| C5 | C4 | N3 | 120.8° | 119.4° |
| C4 | C5 | H29 | 120.1° | 120.4° |
| C6 | N1 | C1B | 119.5° | 119.7° |
| C6 | N1 | C2 | 121.5° | 120.6° |
| N1 | C6 | H28 | 120.9° | 120.1° |
| C2B | C3B | O2' | 114.0° | 110.9° |
| C2B | C3B | C1B | 102.3° | 102.1° |
| C3B | C2B | C4B | 102.6° | 104.2° |
| C3B | C2B | O3B | 112.3° | 110.5° |
| C3B | C2B | H23 | 109.1° | 110.6° |
| C2B | C3B | H25 | 108.5° | 110.9° |
| O2' | C3B | C1B | 113.3° | 110.9° |
| O2' | C3B | H25 | 109.9° | 110.8° |
| C3B | O2' | H26 | 109.5° | 114.0° |
| C3B | C1B | O4B | 104.4° | 103.5° |
| C3B | C1B | N1 | 112.6° | 110.6° |
| C1B | C3B | H25 | 108.5° | 110.9° |
| C3B | C1B | H27 | 109.2° | 110.7° |
| C4B | C2B | O3B | 113.3° | 110.5° |
| C2B | C4B | O4B | 109.1° | 107.3° |
| C2B | C4B | H22 | 109.4° | 110.0° |
| C4B | C2B | H23 | 109.1° | 110.5° |
| O3B | C2B | H23 | 110.2° | 110.4° |
| C2B | O3B | H24 | 109.5° | 114.0° |
| O4 | C4 | N3 | 118.5° | 120.3° |
| C4 | N3 | C2 | 120.5° | 120.2° |
| C4 | N3 | H30 | 119.8° | 119.9° |
| C4B | O4B | C1B | 106.7° | 107.0° |
| O4B | C4B | H22 | 110.8° | 109.9° |
| O4B | C1B | N1 | 110.2° | 110.7° |
| O4B | C1B | H27 | 110.4° | 110.6° |
| C1B | N1 | C2 | 119.0° | 119.7° |
| N1 | C1B | H27 | 110.1° | 110.6° |
| N1 | C2 | N3 | 119.0° | 121.0° |
| N1 | C2 | O2 | 121.5° | 119.5° |
| N3 | C2 | O2 | 119.4° | 119.6° |
| C2 | N3 | H30 | 119.8° | 119.8° |
| H1 | C84 | H2 | 109.4° | 109.5° |
| H1 | C84 | H3 | 109.5° | 109.5° |
| H2 | C84 | H3 | 109.5° | 109.5° |
| H9 | C6' | H10 | 109.5° | 109.5° |
| H9 | C6' | H11 | 109.5° | 109.4° |
| H10 | C6' | H11 | 109.5° | 109.5° |
| H15 | C8' | H16 | 109.4° | 109.4° |
| H15 | C8' | H17 | 109.5° | 109.5° |
| H16 | C8' | H17 | 109.5° | 109.4° |
| H20 | C5B | H21 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7' | C7' | C8' | N2' | 178.0° | 180.0° |
| O7' | C7' | N2' | C2' | 3.9° | 0.0° |
| O7' | C7' | N2' | H14 | 176.2° | 180.0° |
| O7' | C7' | C8' | H15 | 0.0° | 90.0° |
| O7' | C7' | C8' | H16 | 120.0° | 30.0° |
| O7' | C7' | C8' | H17 | 120.0° | 149.9° |
| C8' | C7' | N2' | C2' | 174.3° | 180.0° |
| C8' | C7' | N2' | H14 | 5.7° | 0.0° |
| C7' | C8' | H15 | H16 | 120.0° | 120.0° |
| C7' | C8' | H15 | H17 | 120.0° | 120.1° |
| C7' | C8' | H16 | H17 | 120.0° | 120.0° |
| C7' | N2' | C2' | H14 | 180.0° | 180.0° |
| C7' | N2' | C2' | C1' | 126.6° | 85.0° |
| C7' | N2' | C2' | C3' | 110.1° | 155.3° |
| C7' | N2' | C2' | H13 | 9.3° | 35.2° |
| N2' | C7' | C8' | H15 | 178.0° | 90.0° |
| N2' | C7' | C8' | H16 | 58.0° | 150.0° |
| N2' | C7' | C8' | H17 | 62.0° | 30.1° |
| N2' | C2' | C1' | C3' | 123.9° | 119.9° |
| N2' | C2' | C1' | H13 | 117.8° | 120.2° |
| N2' | C2' | C3' | H13 | 119.9° | 120.1° |
| N2' | C2' | C3' | O3' | 54.8° | 63.2° |
| N2' | C2' | C1' | O5' | 178.6° | 177.5° |
| N2' | C2' | C1' | O1' | 60.3° | 57.5° |
| N2' | C2' | C3' | C4' | 179.1° | 176.9° |
| N2' | C2' | C3' | H6 | 64.7° | 57.0° |
| N2' | C2' | C1' | H12 | 59.2° | 62.5° |
| O2A | PA | O1A | O3A | 121.6° | 120.0° |
| O2A | PA | O1A | O5B | 121.6° | 120.0° |
| O2A | PA | O3A | O5B | 118.2° | 120.0° |
| O2A | PA | O3A | PB | 166.8° | 40.0° |
| O2A | PA | O5B | C5B | 61.1° | 55.0° |
| O2A | PA | O1A | H19 | 0.0° | 180.0° |
| C1' | C2' | C3' | H13 | 118.3° | 119.9° |
| C1' | C2' | C3' | O3' | 176.6° | 176.9° |
| C2' | C1' | O5' | O1' | 120.2° | 120.0° |
| C2' | C1' | O5' | H12 | 121.4° | 120.0° |
| C2' | C1' | O1' | H12 | 118.7° | 120.0° |
| C1' | C2' | C3' | C4' | 59.2° | 56.9° |
| C2' | C1' | O5' | C5' | 52.2° | 61.2° |
| C2' | C1' | O1' | PB | 144.3° | 150.1° |
| C1' | C2' | C3' | H6 | 57.1° | 62.9° |
| C1' | C2' | N2' | H14 | 53.5° | 95.0° |
| C2' | C3' | O3' | C4' | 118.4° | 119.6° |
| C2' | C3' | O3' | H6 | 118.9° | 120.2° |
| C3' | C2' | C1' | O5' | 54.7° | 57.6° |
| C3' | C2' | C1' | O1' | 63.6° | 62.4° |
| C2' | C3' | C4' | H6 | 116.3° | 119.8° |
| C2' | C3' | C4' | N4A | 173.4° | 176.8° |
| C2' | C3' | C4' | C5' | 61.6° | 56.9° |
| C2' | C3' | C4' | H5 | 53.5° | 63.0° |
| C2' | C3' | O3' | H7 | 131.5° | 60.3° |
| C3' | C2' | C1' | H12 | 176.9° | 177.6° |
| C3' | C2' | N2' | H14 | 69.9° | 24.7° |
| O3' | C3' | C4' | H6 | 123.2° | 120.2° |
| O3' | C3' | C4' | N4A | 52.8° | 63.1° |
| O3' | C3' | C4' | C5' | 177.8° | 176.9° |
| O3' | C3' | C4' | H5 | 67.0° | 57.0° |
| O3' | C3' | C2' | H13 | 65.1° | 57.0° |
| O74 | C74 | N4A | C4' | 9.2° | 0.0° |
| O74 | C74 | N4A | C84 | 179.1° | 179.7° |
| O74 | C74 | C84 | H1 | 0.0° | 90.0° |
| O74 | C74 | C84 | H2 | 120.0° | 150.0° |
| O74 | C74 | C84 | H3 | 120.0° | 30.0° |
| O74 | C74 | N4A | H4 | 170.7° | 179.9° |
| O5' | C1' | O1' | H12 | 118.5° | 120.0° |
| C1' | O5' | C5' | C4' | 55.0° | 61.2° |
| O5' | C1' | O1' | PB | 92.9° | 90.0° |
| C1' | O5' | C5' | C6' | 174.4° | 178.9° |
| C1' | O5' | C5' | H8 | 61.4° | 58.9° |
| O5' | C1' | C2' | H13 | 63.6° | 62.2° |
| C1' | O1' | PB | O3A | 65.5° | 175.0° |
| O1' | C1' | O5' | C5' | 68.0° | 58.8° |
| C1' | O1' | PB | O1B | 41.9° | 55.1° |
| C1' | O1' | PB | O2B | 174.8° | 65.0° |
| O1' | C1' | C2' | H13 | 178.1° | 177.7° |
| C3' | C4' | N4A | C5' | 122.5° | 119.7° |
| C3' | C4' | N4A | H5 | 119.3° | 120.2° |
| C3' | C4' | C5' | H5 | 115.6° | 120.0° |
| C3' | C4' | N4A | C74 | 68.8° | 155.3° |
| C3' | C4' | C5' | O5' | 60.7° | 57.6° |
| C3' | C4' | C5' | C6' | 179.6° | 177.6° |
| C3' | C4' | N4A | H4 | 111.2° | 24.7° |
| C4' | C3' | O3' | H7 | 13.1° | 180.0° |
| C3' | C4' | C5' | H8 | 56.8° | 62.4° |
| C4' | C3' | C2' | H13 | 59.1° | 63.0° |
| N4A | C4' | C5' | H5 | 119.2° | 120.1° |
| C4' | N4A | C74 | H4 | 180.0° | 179.9° |
| C4' | N4A | C74 | C84 | 169.8° | 179.7° |
| N4A | C4' | C5' | O5' | 174.1° | 177.5° |
| N4A | C4' | C5' | C6' | 54.3° | 62.5° |
| N4A | C4' | C3' | H6 | 70.3° | 57.0° |
| N4A | C4' | C5' | H8 | 68.5° | 57.5° |
| C5' | C4' | N4A | C74 | 168.7° | 85.0° |
| C4' | C5' | O5' | C6' | 130.6° | 120.0° |
| C4' | C5' | O5' | H8 | 116.4° | 120.0° |
| C4' | C5' | C6' | H8 | 122.6° | 120.0° |
| C5' | C4' | N4A | H4 | 11.3° | 94.9° |
| C5' | C4' | C3' | H6 | 54.7° | 62.9° |
| C4' | C5' | C6' | H9 | 180.0° | 60.0° |
| C4' | C5' | C6' | H10 | 60.0° | 180.0° |
| C4' | C5' | C6' | H11 | 60.0° | 60.0° |
| O1A | PA | O3A | O5B | 118.7° | 120.0° |
| O1A | PA | O3A | PB | 70.1° | 80.0° |
| O1A | PA | O5B | C5B | 175.0° | 65.0° |
| PA | O3A | PB | O1' | 104.2° | 160.0° |
| PA | O3A | PB | O1B | 138.7° | 40.0° |
| O3A | PA | O5B | C5B | 58.2° | 175.0° |
| PA | O3A | PB | O2B | 3.0° | 80.0° |
| O3A | PA | O1A | H19 | 121.6° | 60.0° |
| O5B | PA | O3A | PB | 48.6° | 160.0° |
| PA | O5B | C5B | C4B | 173.6° | 180.0° |
| O5B | PA | O1A | H19 | 121.6° | 60.1° |
| PA | O5B | C5B | H20 | 66.7° | 60.0° |
| PA | O5B | C5B | H21 | 53.9° | 60.0° |
| N4A | C74 | C84 | H1 | 179.1° | 89.7° |
| N4A | C74 | C84 | H2 | 59.2° | 30.3° |
| N4A | C74 | C84 | H3 | 60.8° | 150.3° |
| C74 | N4A | C4' | H5 | 50.5° | 35.1° |
| C74 | C84 | H1 | H2 | 120.0° | 120.0° |
| C74 | C84 | H1 | H3 | 120.0° | 119.9° |
| C74 | C84 | H2 | H3 | 120.0° | 119.9° |
| C84 | C74 | N4A | H4 | 10.2° | 0.2° |
| O3A | PB | O1' | O1B | 107.5° | 120.0° |
| O3A | PB | O1' | O2B | 119.6° | 120.0° |
| O3A | PB | O1B | O2B | 131.8° | 119.9° |
| O3A | PB | O2B | H18 | 125.2° | 60.1° |
| O5' | C5' | C6' | H8 | 114.0° | 120.0° |
| O5' | C5' | C4' | H5 | 54.9° | 62.3° |
| O5' | C5' | C6' | H9 | 56.6° | 60.0° |
| O5' | C5' | C6' | H10 | 176.6° | 60.1° |
| O5' | C5' | C6' | H11 | 63.4° | 179.9° |
| C5' | O5' | C1' | H12 | 173.6° | 178.9° |
| O1' | PB | O1B | O2B | 120.7° | 120.1° |
| PB | O1' | C1' | H12 | 25.6° | 30.0° |
| O1' | PB | O2B | H18 | 126.9° | 60.0° |
| C6' | C5' | C4' | H5 | 64.9° | 57.6° |
| C5' | C6' | H9 | H10 | 120.0° | 120.1° |
| C5' | C6' | H9 | H11 | 120.0° | 120.0° |
| C5' | C6' | H10 | H11 | 120.0° | 120.0° |
| O1B | PB | O2B | H18 | 0.0° | 180.0° |
| O5B | C5B | C4B | H20 | 119.7° | 120.0° |
| O5B | C5B | C4B | H21 | 119.7° | 120.0° |
| O5B | C5B | C4B | C2B | 58.2° | 175.7° |
| O5B | C5B | C4B | O4B | 177.1° | 66.5° |
| O5B | C5B | H20 | H21 | 120.9° | 120.0° |
| O5B | C5B | C4B | H22 | 64.8° | 54.5° |
| C5B | C4B | C2B | C3B | 107.4° | 121.5° |
| C5B | C4B | C2B | O4B | 115.7° | 119.4° |
| C5B | C4B | C2B | H22 | 123.0° | 121.1° |
| C5B | C4B | C2B | O3B | 131.3° | 119.8° |
| C5B | C4B | O4B | H22 | 117.0° | 121.0° |
| C5B | C4B | O4B | C1B | 138.8° | 145.9° |
| C4B | C5B | H20 | H21 | 120.9° | 120.0° |
| C5B | C4B | C2B | H23 | 8.2° | 2.6° |
| C6 | C5 | C4 | H29 | 180.0° | 180.0° |
| C5 | C6 | N1 | H28 | 180.0° | 180.0° |
| C6 | C5 | C4 | O4 | 178.6° | 180.0° |
| C6 | C5 | C4 | N3 | 2.9° | 0.3° |
| C5 | C6 | N1 | C1B | 177.7° | 180.0° |
| C5 | C6 | N1 | C2 | 2.9° | 0.3° |
| C4 | C5 | C6 | N1 | 2.3° | 0.0° |
| C5 | C4 | O4 | N3 | 178.6° | 179.7° |
| C5 | C4 | N3 | C2 | 3.9° | 0.3° |
| C4 | C5 | C6 | H28 | 177.7° | 180.0° |
| C5 | C4 | N3 | H30 | 176.0° | 180.0° |
| C6 | N1 | C1B | C3B | 64.6° | 65.2° |
| C6 | N1 | C1B | O4B | 51.5° | 48.9° |
| C6 | N1 | C1B | C2 | 179.4° | 179.8° |
| C6 | N1 | C2 | N3 | 3.9° | 0.3° |
| C6 | N1 | C2 | O2 | 180.0° | 179.7° |
| C6 | N1 | C1B | H27 | 173.4° | 171.8° |
| N1 | C6 | C5 | H29 | 177.7° | 180.0° |
| C2B | C3B | O2' | C1B | 116.4° | 112.7° |
| C2B | C3B | O2' | H25 | 122.0° | 123.6° |
| C2B | C3B | C1B | H25 | 114.6° | 118.2° |
| C3B | C2B | C4B | O3B | 121.3° | 118.7° |
| C3B | C2B | C4B | H23 | 115.6° | 118.8° |
| C3B | C2B | O3B | H23 | 121.8° | 122.7° |
| C3B | C2B | C4B | O4B | 8.3° | 2.0° |
| C2B | C3B | C1B | O4B | 38.8° | 37.0° |
| C2B | C3B | C1B | N1 | 158.3° | 155.6° |
| C3B | C2B | C4B | H22 | 129.6° | 117.4° |
| C3B | C2B | O3B | H24 | 180.0° | 65.2° |
| C2B | C3B | O2' | H26 | 180.0° | 61.5° |
| C2B | C3B | C1B | H27 | 79.2° | 81.5° |
| O2' | C3B | C1B | H25 | 122.3° | 123.6° |
| O2' | C3B | C2B | C4B | 150.5° | 139.1° |
| O2' | C3B | C2B | O3B | 28.5° | 20.4° |
| O2' | C3B | C1B | O4B | 162.0° | 155.2° |
| O2' | C3B | C1B | N1 | 78.6° | 86.2° |
| O2' | C3B | C2B | H23 | 93.9° | 102.2° |
| O2' | C3B | C1B | H27 | 44.0° | 36.7° |
| C1B | C3B | C2B | C4B | 27.9° | 20.9° |
| C1B | C3B | C2B | O3B | 94.2° | 97.8° |
| C3B | C1B | O4B | C4B | 34.4° | 40.1° |
| C3B | C1B | O4B | N1 | 121.1° | 118.6° |
| C3B | C1B | O4B | H27 | 117.2° | 118.5° |
| C3B | C1B | N1 | H27 | 122.1° | 123.0° |
| C3B | C1B | N1 | C2 | 116.0° | 115.0° |
| C1B | C3B | C2B | H23 | 143.4° | 139.6° |
| C1B | C3B | O2' | H26 | 63.5° | 174.2° |
| C4B | C2B | O3B | H23 | 122.5° | 122.5° |
| C2B | C4B | O4B | H22 | 120.5° | 119.6° |
| C2B | C4B | O4B | C1B | 16.3° | 26.5° |
| C2B | C4B | C5B | H20 | 178.0° | 64.3° |
| C2B | C4B | C5B | H21 | 61.5° | 55.7° |
| C4B | C2B | O3B | H24 | 64.3° | 180.0° |
| C4B | C2B | C3B | H25 | 86.7° | 97.3° |
| O3B | C2B | C4B | O4B | 113.0° | 120.7° |
| O3B | C2B | C4B | H22 | 8.3° | 1.3° |
| O3B | C2B | C3B | H25 | 151.2° | 144.0° |
| O4 | C4 | N3 | C2 | 177.5° | 180.0° |
| O4 | C4 | C5 | H29 | 1.4° | 0.0° |
| O4 | C4 | N3 | H30 | 2.5° | 0.3° |
| C4 | N3 | C2 | N1 | 4.3° | 0.0° |
| C4 | N3 | C2 | H30 | 180.0° | 179.7° |
| C4 | N3 | C2 | O2 | 179.4° | 180.0° |
| N3 | C4 | C5 | H29 | 177.1° | 179.7° |
| C4B | O4B | C1B | N1 | 155.5° | 158.6° |
| O4B | C4B | C5B | H20 | 63.2° | 53.5° |
| O4B | C4B | C5B | H21 | 57.4° | 173.5° |
| O4B | C4B | C2B | H23 | 123.9° | 116.8° |
| C4B | O4B | C1B | H27 | 82.8° | 78.5° |
| O4B | C1B | N1 | H27 | 121.9° | 122.9° |
| O4B | C1B | N1 | C2 | 127.9° | 130.8° |
| C1B | O4B | C4B | H22 | 104.2° | 93.1° |
| O4B | C1B | C3B | H25 | 75.8° | 81.2° |
| C1B | N1 | C2 | N3 | 176.7° | 180.0° |
| C1B | N1 | C2 | O2 | 0.6° | 0.0° |
| N1 | C1B | C3B | H25 | 43.7° | 37.5° |
| C1B | N1 | C6 | H28 | 2.3° | 0.0° |
| N1 | C2 | N3 | O2 | 176.2° | 180.0° |
| C2 | N1 | C1B | H27 | 6.0° | 8.0° |
| C2 | N1 | C6 | H28 | 177.1° | 179.7° |
| N1 | C2 | N3 | H30 | 175.6° | 179.7° |
| O2 | C2 | N3 | H30 | 0.6° | 0.3° |
| H1 | C84 | H2 | H3 | 120.0° | 120.1° |
| H4 | N4A | C4' | H5 | 129.5° | 144.9° |
| H5 | C4' | C3' | H6 | 169.8° | 177.2° |
| H5 | C4' | C5' | H8 | 172.3° | 177.6° |
| H6 | C3' | O3' | H7 | 109.6° | 59.8° |
| H6 | C3' | C2' | H13 | 175.4° | 177.2° |
| H8 | C5' | C6' | H9 | 57.4° | 180.0° |
| H8 | C5' | C6' | H10 | 62.6° | 60.0° |
| H8 | C5' | C6' | H11 | 177.4° | 60.1° |
| H9 | C6' | H10 | H11 | 120.0° | 119.9° |
| H12 | C1' | C2' | H13 | 58.6° | 57.7° |
| H13 | C2' | N2' | H14 | 170.7° | 144.8° |
| H15 | C8' | H16 | H17 | 120.0° | 120.0° |
| H20 | C5B | C4B | H22 | 54.9° | 174.5° |
| H21 | C5B | C4B | H22 | 175.5° | 65.5° |
| H22 | C4B | C2B | H23 | 114.8° | 123.7° |
| H23 | C2B | O3B | H24 | 58.2° | 57.5° |
| H23 | C2B | C3B | H25 | 28.9° | 21.4° |
| H25 | C3B | O2' | H26 | 58.0° | 62.1° |
| H25 | C3B | C1B | H27 | 166.2° | 160.3° |
| H28 | C6 | C5 | H29 | 2.3° | 0.0° |
