UP6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.40Å | Aromatic |
| N1 | N6 | sing | 1.40Å | 1.41Å | Aromatic |
| N1 | C1' | sing | 1.46Å | 1.46Å | |
| C2 | N3 | sing | 1.35Å | 1.38Å | Aromatic |
| C2 | O2 | doub | 1.22Å | 1.21Å | |
| N3 | C4 | sing | 1.35Å | 1.42Å | Aromatic |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.47Å | 1.43Å | Aromatic |
| C4 | O4 | doub | 1.22Å | 1.22Å | |
| C5 | N6 | doub | 1.30Å | 1.31Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C1' | C2' | sing | 1.54Å | 1.51Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| C2' | C3' | sing | 1.54Å | 1.52Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| C3' | C4' | sing | 1.54Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.45Å | 1.42Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| O5' | P | sing | 1.61Å | 1.64Å | |
| P | O1P | doub | 1.48Å | 1.52Å | |
| P | O2P | sing | 1.61Å | 1.48Å | |
| P | O3P | sing | 1.61Å | 1.58Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | N6 | 121.5° | 120.9° |
| C2 | N1 | C1' | 121.2° | 119.5° |
| N1 | C2 | N3 | 116.1° | 121.0° |
| N1 | C2 | O2 | 119.7° | 119.5° |
| N6 | N1 | C1' | 117.3° | 119.6° |
| N1 | N6 | C5 | 120.5° | 119.9° |
| N1 | C1' | C2' | 119.6° | 110.4° |
| N1 | C1' | O4' | 109.5° | 110.4° |
| N1 | C1' | H1' | 101.4° | 110.4° |
| N3 | C2 | O2 | 124.2° | 119.5° |
| C2 | N3 | C4 | 124.1° | 120.0° |
| C2 | N3 | HN3 | 116.5° | 120.0° |
| C4 | N3 | HN3 | 119.4° | 120.0° |
| N3 | C4 | C5 | 115.5° | 119.2° |
| N3 | C4 | O4 | 118.9° | 120.4° |
| C5 | C4 | O4 | 125.6° | 120.4° |
| C4 | C5 | N6 | 122.2° | 119.0° |
| C4 | C5 | H5 | 123.5° | 120.5° |
| N6 | C5 | H5 | 114.3° | 120.5° |
| C2' | C1' | O4' | 107.1° | 104.8° |
| C2' | C1' | H1' | 104.0° | 110.4° |
| C1' | C2' | C3' | 101.9° | 104.1° |
| C1' | C2' | O2' | 111.4° | 110.7° |
| C1' | C2' | H2' | 114.8° | 110.5° |
| O4' | C1' | H1' | 115.4° | 110.4° |
| C1' | O4' | C4' | 111.0° | 105.4° |
| C3' | C2' | O2' | 113.9° | 110.5° |
| C3' | C2' | H2' | 112.3° | 110.5° |
| C2' | C3' | C4' | 103.3° | 104.2° |
| C2' | C3' | O3' | 109.2° | 110.5° |
| C2' | C3' | H3' | 114.5° | 110.5° |
| O2' | C2' | H2' | 103.0° | 110.4° |
| C2' | O2' | HO2' | 111.4° | 106.9° |
| C4' | C3' | O3' | 112.2° | 110.6° |
| C4' | C3' | H3' | 111.7° | 110.5° |
| C3' | C4' | O4' | 105.3° | 104.7° |
| C3' | C4' | C5' | 118.9° | 110.7° |
| C3' | C4' | H4' | 105.9° | 110.2° |
| O3' | C3' | H3' | 106.0° | 110.4° |
| C3' | O3' | HO3' | 109.2° | 106.8° |
| O4' | C4' | C5' | 109.1° | 110.4° |
| O4' | C4' | H4' | 116.3° | 110.4° |
| C5' | C4' | H4' | 101.8° | 110.3° |
| C4' | C5' | O5' | 104.2° | 109.5° |
| C4' | C5' | H5'1 | 114.2° | 109.5° |
| C4' | C5' | H5'2 | 114.2° | 109.4° |
| O5' | C5' | H5'1 | 114.2° | 109.4° |
| O5' | C5' | H5'2 | 114.2° | 109.4° |
| C5' | O5' | P | 121.0° | 106.9° |
| H5'1 | C5' | H5'2 | 96.3° | 109.5° |
| O5' | P | O1P | 109.9° | 109.4° |
| O5' | P | O2P | 103.0° | 109.5° |
| O5' | P | O3P | 110.1° | 109.5° |
| O1P | P | O2P | 111.4° | 109.5° |
| O1P | P | O3P | 111.7° | 109.5° |
| O2P | P | O3P | 110.3° | 109.5° |
| P | O2P | HOP2 | 103.0° | 106.8° |
| P | O3P | HOP3 | 110.1° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | N6 | C1' | 177.8° | 179.6° |
| N1 | C2 | N3 | O2 | 178.4° | 179.5° |
| N1 | C2 | N3 | C4 | 0.2° | 0.5° |
| N1 | C2 | N3 | HN3 | 179.9° | 179.7° |
| C2 | N1 | N6 | C5 | 0.0° | 0.3° |
| C2 | N1 | C1' | C2' | 56.9° | 149.7° |
| C2 | N1 | C1' | O4' | 67.1° | 94.9° |
| C2 | N1 | C1' | H1' | 170.5° | 27.4° |
| N6 | N1 | C2 | N3 | 0.2° | 0.6° |
| N6 | N1 | C2 | O2 | 178.7° | 179.9° |
| N1 | N6 | C5 | C4 | 0.3° | 0.0° |
| N1 | N6 | C5 | H5 | 179.7° | 179.9° |
| N6 | N1 | C1' | C2' | 125.3° | 29.9° |
| N6 | N1 | C1' | O4' | 110.7° | 85.5° |
| N6 | N1 | C1' | H1' | 11.7° | 152.2° |
| C1' | N1 | C2 | N3 | 177.5° | 179.8° |
| C1' | N1 | C2 | O2 | 1.0° | 0.3° |
| C1' | N1 | N6 | C5 | 177.8° | 179.9° |
| N1 | C1' | C2' | O4' | 125.2° | 118.9° |
| N1 | C1' | C2' | H1' | 112.2° | 122.3° |
| N1 | C1' | O4' | H1' | 113.6° | 122.3° |
| N1 | C1' | C2' | C3' | 149.5° | 142.9° |
| N1 | C1' | C2' | O2' | 88.7° | 98.4° |
| N1 | C1' | C2' | H2' | 27.8° | 24.2° |
| N1 | C1' | O4' | C4' | 136.7° | 159.3° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.7° |
| C2 | N3 | C4 | C5 | 0.1° | 0.2° |
| C2 | N3 | C4 | O4 | 179.3° | 179.7° |
| O2 | C2 | N3 | C4 | 178.6° | 180.0° |
| O2 | C2 | N3 | HN3 | 1.5° | 0.2° |
| N3 | C4 | C5 | O4 | 179.3° | 180.0° |
| N3 | C4 | C5 | N6 | 0.3° | 0.0° |
| N3 | C4 | C5 | H5 | 179.7° | 180.0° |
| HN3 | N3 | C4 | C5 | 179.9° | 180.0° |
| HN3 | N3 | C4 | O4 | 0.8° | 0.0° |
| C4 | C5 | N6 | H5 | 180.0° | 179.9° |
| O4 | C4 | C5 | N6 | 179.0° | 180.0° |
| O4 | C4 | C5 | H5 | 1.0° | 0.1° |
| C2' | C1' | O4' | H1' | 115.3° | 118.8° |
| C1' | C2' | C3' | O2' | 120.0° | 118.8° |
| C1' | C2' | C3' | H2' | 123.4° | 118.7° |
| C1' | C2' | O2' | H2' | 123.5° | 122.7° |
| C1' | C2' | C3' | C4' | 32.9° | 0.1° |
| C1' | C2' | C3' | O3' | 86.7° | 118.7° |
| C1' | C2' | C3' | H3' | 154.6° | 118.8° |
| C2' | C1' | O4' | C4' | 5.6° | 40.4° |
| C1' | C2' | O2' | HO2' | 180.0° | 176.2° |
| O4' | C1' | C2' | C3' | 24.3° | 24.0° |
| O4' | C1' | C2' | O2' | 146.1° | 142.7° |
| O4' | C1' | C2' | H2' | 97.4° | 94.7° |
| C1' | O4' | C4' | C3' | 16.0° | 40.3° |
| C1' | O4' | C4' | C5' | 112.7° | 159.5° |
| C1' | O4' | C4' | H4' | 132.9° | 78.3° |
| H1' | C1' | C2' | C3' | 98.4° | 94.8° |
| H1' | C1' | C2' | O2' | 23.4° | 23.9° |
| H1' | C1' | C2' | H2' | 140.0° | 146.5° |
| H1' | C1' | O4' | C4' | 109.7° | 78.4° |
| C3' | C2' | O2' | H2' | 121.9° | 122.6° |
| C2' | C3' | C4' | O3' | 117.5° | 118.8° |
| C2' | C3' | C4' | H3' | 123.6° | 118.7° |
| C2' | C3' | O3' | H3' | 123.9° | 122.5° |
| C2' | C3' | C4' | O4' | 30.6° | 23.8° |
| C2' | C3' | C4' | C5' | 92.0° | 142.8° |
| C2' | C3' | C4' | H4' | 154.4° | 94.9° |
| C3' | C2' | O2' | HO2' | 65.5° | 61.5° |
| C2' | C3' | O3' | HO3' | 180.0° | 63.3° |
| O2' | C2' | C3' | C4' | 153.0° | 118.9° |
| O2' | C2' | C3' | O3' | 33.4° | 0.1° |
| O2' | C2' | C3' | H3' | 85.4° | 122.4° |
| H2' | C2' | C3' | C4' | 90.4° | 118.5° |
| H2' | C2' | C3' | O3' | 150.0° | 122.7° |
| H2' | C2' | C3' | H3' | 31.2° | 0.2° |
| H2' | C2' | O2' | HO2' | 56.4° | 61.1° |
| C4' | C3' | O3' | H3' | 122.2° | 122.6° |
| C3' | C4' | O4' | C5' | 128.7° | 119.2° |
| C3' | C4' | O4' | H4' | 116.9° | 118.6° |
| C3' | C4' | C5' | H4' | 115.8° | 122.3° |
| C4' | C3' | O3' | HO3' | 66.1° | 178.1° |
| C3' | C4' | C5' | O5' | 56.5° | 176.9° |
| C3' | C4' | C5' | H5'1 | 68.8° | 63.1° |
| C3' | C4' | C5' | H5'2 | 178.3° | 57.0° |
| O3' | C3' | C4' | O4' | 86.8° | 142.5° |
| O3' | C3' | C4' | C5' | 150.5° | 98.5° |
| O3' | C3' | C4' | H4' | 36.9° | 23.8° |
| H3' | C3' | C4' | O4' | 154.2° | 94.9° |
| H3' | C3' | C4' | C5' | 31.6° | 24.1° |
| H3' | C3' | C4' | H4' | 82.0° | 146.4° |
| H3' | C3' | O3' | HO3' | 56.1° | 59.3° |
| O4' | C4' | C5' | H4' | 123.5° | 122.2° |
| O4' | C4' | C5' | O5' | 177.2° | 61.4° |
| O4' | C4' | C5' | H5'1 | 52.0° | 178.6° |
| O4' | C4' | C5' | H5'2 | 57.5° | 58.5° |
| C4' | C5' | O5' | H5'1 | 125.3° | 120.1° |
| C4' | C5' | O5' | H5'2 | 125.3° | 119.9° |
| C4' | C5' | H5'1 | H5'2 | 120.1° | 120.0° |
| C4' | C5' | O5' | P | 176.2° | 180.0° |
| H4' | C4' | C5' | O5' | 59.3° | 60.8° |
| H4' | C4' | C5' | H5'1 | 175.4° | 59.2° |
| H4' | C4' | C5' | H5'2 | 65.9° | 179.2° |
| O5' | C5' | H5'1 | H5'2 | 120.0° | 119.9° |
| C5' | O5' | P | O1P | 50.7° | 60.0° |
| C5' | O5' | P | O2P | 169.5° | 180.0° |
| C5' | O5' | P | O3P | 72.8° | 60.0° |
| H5'1 | C5' | O5' | P | 50.9° | 59.9° |
| H5'2 | C5' | O5' | P | 58.5° | 60.0° |
| O5' | P | O1P | O2P | 113.5° | 120.0° |
| O5' | P | O1P | O3P | 122.6° | 120.0° |
| O5' | P | O2P | O3P | 117.5° | 120.0° |
| O5' | P | O2P | HOP2 | 180.0° | 180.0° |
| O5' | P | O3P | HOP3 | 180.0° | 60.1° |
| O1P | P | O2P | O3P | 124.7° | 120.0° |
| O1P | P | O2P | HOP2 | 62.2° | 60.0° |
| O1P | P | O3P | HOP3 | 57.5° | 180.0° |
| O2P | P | O3P | HOP3 | 67.0° | 60.0° |
| O3P | P | O2P | HOP2 | 62.5° | 60.0° |
