AIR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.36Å | 1.49Å | Aromatic |
| N1 | C5 | sing | 1.37Å | 1.45Å | Aromatic |
| N1 | C1' | sing | 1.46Å | 1.57Å | |
| C2 | N3 | doub | 1.30Å | 1.40Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.34Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.35Å | 1.44Å | Aromatic |
| C4 | HC4 | sing | 1.08Å | 1.10Å | |
| C5 | N6 | sing | 1.40Å | 1.48Å | |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| C1' | C2' | sing | 1.54Å | 1.54Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C1' | HC1' | sing | 1.09Å | 1.11Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | HC2' | sing | 1.09Å | 1.12Å | |
| C3' | C4' | sing | 1.54Å | 1.54Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | HC3' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.55Å | |
| C4' | HC4' | sing | 1.09Å | 1.12Å | |
| O2' | HO'2 | sing | 0.97Å | 0.95Å | |
| O3' | HO'3 | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.45Å | |
| C5' | HC51 | sing | 1.09Å | 1.12Å | |
| C5' | HC52 | sing | 1.09Å | 1.12Å | |
| O5' | P | sing | 1.61Å | 1.61Å | |
| P | O6 | sing | 1.61Å | 1.52Å | |
| P | O7 | sing | 1.61Å | 1.52Å | |
| P | O8 | doub | 1.48Å | 1.51Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C5 | 96.0° | 107.1° |
| C2 | N1 | C1' | 129.8° | 126.5° |
| N1 | C2 | N3 | 120.5° | 108.6° |
| N1 | C2 | HC2 | 122.9° | 125.7° |
| C5 | N1 | C1' | 133.8° | 126.5° |
| N1 | C5 | C4 | 111.0° | 106.8° |
| N1 | C5 | N6 | 124.5° | 126.6° |
| N1 | C1' | C2' | 112.4° | 110.4° |
| N1 | C1' | O4' | 112.4° | 110.4° |
| N1 | C1' | HC1' | 104.1° | 110.4° |
| N3 | C2 | HC2 | 116.6° | 125.7° |
| C2 | N3 | C4 | 99.4° | 109.4° |
| N3 | C4 | C5 | 113.1° | 108.1° |
| N3 | C4 | HC4 | 122.2° | 125.9° |
| C5 | C4 | HC4 | 124.7° | 126.0° |
| C4 | C5 | N6 | 124.5° | 126.6° |
| C5 | N6 | HN61 | 124.5° | 120.0° |
| C5 | N6 | HN62 | 106.9° | 120.0° |
| HN61 | N6 | HN62 | 106.9° | 120.0° |
| C2' | C1' | O4' | 104.6° | 104.9° |
| C2' | C1' | HC1' | 111.9° | 110.3° |
| C1' | C2' | C3' | 104.0° | 104.0° |
| C1' | C2' | O2' | 112.2° | 110.8° |
| C1' | C2' | HC2' | 111.5° | 110.4° |
| O4' | C1' | HC1' | 111.8° | 110.4° |
| C1' | O4' | C4' | 107.5° | 105.3° |
| C3' | C2' | O2' | 110.0° | 110.5° |
| C3' | C2' | HC2' | 113.7° | 110.5° |
| C2' | C3' | C4' | 104.9° | 104.1° |
| C2' | C3' | O3' | 112.0° | 110.5° |
| C2' | C3' | HC3' | 111.2° | 110.5° |
| O2' | C2' | HC2' | 105.7° | 110.5° |
| C2' | O2' | HO'2 | 112.2° | 106.8° |
| C4' | C3' | O3' | 110.5° | 110.5° |
| C4' | C3' | HC3' | 112.7° | 110.5° |
| C3' | C4' | O4' | 105.8° | 104.8° |
| C3' | C4' | C5' | 115.1° | 110.5° |
| C3' | C4' | HC4' | 108.4° | 110.4° |
| O3' | C3' | HC3' | 105.7° | 110.5° |
| C3' | O3' | HO'3 | 112.0° | 106.8° |
| O4' | C4' | C5' | 110.0° | 110.4° |
| O4' | C4' | HC4' | 113.7° | 110.3° |
| C5' | C4' | HC4' | 104.0° | 110.3° |
| C4' | C5' | O5' | 112.5° | 109.5° |
| C4' | C5' | HC51 | 111.1° | 109.5° |
| C4' | C5' | HC52 | 111.1° | 109.5° |
| O5' | C5' | HC51 | 111.1° | 109.4° |
| O5' | C5' | HC52 | 111.1° | 109.5° |
| C5' | O5' | P | 123.8° | 106.8° |
| HC51 | C5' | HC52 | 99.2° | 109.5° |
| O5' | P | O6 | 111.5° | 109.5° |
| O5' | P | O7 | 111.0° | 109.5° |
| O5' | P | O8 | 111.9° | 109.5° |
| O6 | P | O7 | 108.5° | 109.4° |
| O6 | P | O8 | 106.3° | 109.5° |
| P | O6 | HO6 | 111.5° | 106.8° |
| O7 | P | O8 | 107.4° | 109.5° |
| P | O7 | HO7 | 111.0° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C5 | C1' | 173.5° | 179.7° |
| N1 | C2 | N3 | HC2 | 180.0° | 179.8° |
| N1 | C2 | N3 | C4 | 0.1° | 0.1° |
| C2 | N1 | C5 | C4 | 0.0° | 0.4° |
| C2 | N1 | C5 | N6 | 179.5° | 179.9° |
| C2 | N1 | C1' | C2' | 120.6° | 88.6° |
| C2 | N1 | C1' | O4' | 3.0° | 26.9° |
| C2 | N1 | C1' | HC1' | 118.2° | 149.2° |
| C5 | N1 | C2 | N3 | 0.0° | 0.3° |
| C5 | N1 | C2 | HC2 | 180.0° | 179.8° |
| N1 | C5 | C4 | N3 | 0.1° | 0.3° |
| N1 | C5 | C4 | N6 | 179.5° | 179.7° |
| N1 | C5 | C4 | HC4 | 179.9° | 179.8° |
| N1 | C5 | N6 | HN61 | 180.0° | 179.7° |
| N1 | C5 | N6 | HN62 | 54.7° | 0.5° |
| C5 | N1 | C1' | C2' | 67.9° | 91.1° |
| C5 | N1 | C1' | O4' | 174.5° | 153.4° |
| C5 | N1 | C1' | HC1' | 53.3° | 31.1° |
| C1' | N1 | C2 | N3 | 173.9° | 180.0° |
| C1' | N1 | C2 | HC2 | 6.1° | 0.1° |
| C1' | N1 | C5 | C4 | 173.4° | 179.9° |
| C1' | N1 | C5 | N6 | 6.0° | 0.2° |
| N1 | C1' | C2' | O4' | 122.1° | 118.9° |
| N1 | C1' | C2' | HC1' | 116.6° | 122.2° |
| N1 | C1' | O4' | HC1' | 116.6° | 122.3° |
| N1 | C1' | C2' | C3' | 151.4° | 142.7° |
| N1 | C1' | C2' | O2' | 89.8° | 98.5° |
| N1 | C1' | C2' | HC2' | 28.5° | 24.2° |
| N1 | C1' | O4' | C4' | 160.0° | 159.3° |
| C2 | N3 | C4 | C5 | 0.1° | 0.1° |
| C2 | N3 | C4 | HC4 | 179.9° | 180.0° |
| HC2 | C2 | N3 | C4 | 179.9° | 180.0° |
| N3 | C4 | C5 | HC4 | 180.0° | 179.9° |
| N3 | C4 | C5 | N6 | 179.6° | 180.0° |
| C4 | C5 | N6 | HN61 | 0.6° | 0.1° |
| C4 | C5 | N6 | HN62 | 124.7° | 179.9° |
| HC4 | C4 | C5 | N6 | 0.5° | 0.1° |
| C5 | N6 | HN61 | HN62 | 125.3° | 179.8° |
| C2' | C1' | O4' | HC1' | 121.2° | 118.8° |
| C1' | C2' | C3' | O2' | 120.3° | 118.9° |
| C1' | C2' | C3' | HC2' | 121.4° | 118.5° |
| C1' | C2' | O2' | HC2' | 121.7° | 122.7° |
| C1' | C2' | C3' | C4' | 10.8° | 0.1° |
| C1' | C2' | C3' | O3' | 109.1° | 118.8° |
| C1' | C2' | C3' | HC3' | 132.9° | 118.5° |
| C2' | C1' | O4' | C4' | 37.9° | 40.4° |
| C1' | C2' | O2' | HO'2 | 180.0° | 176.2° |
| O4' | C1' | C2' | C3' | 29.2° | 23.8° |
| O4' | C1' | C2' | O2' | 148.1° | 142.5° |
| O4' | C1' | C2' | HC2' | 93.6° | 94.7° |
| C1' | O4' | C4' | C3' | 30.8° | 40.5° |
| C1' | O4' | C4' | C5' | 155.7° | 159.5° |
| C1' | O4' | C4' | HC4' | 88.1° | 78.3° |
| HC1' | C1' | C2' | C3' | 92.0° | 95.0° |
| HC1' | C1' | C2' | O2' | 26.8° | 23.7° |
| HC1' | C1' | C2' | HC2' | 145.2° | 146.4° |
| HC1' | C1' | O4' | C4' | 83.3° | 78.4° |
| C3' | C2' | O2' | HC2' | 123.1° | 122.6° |
| C2' | C3' | C4' | O3' | 120.9° | 118.7° |
| C2' | C3' | C4' | HC3' | 121.1° | 118.7° |
| C2' | C3' | O3' | HC3' | 121.2° | 122.7° |
| C2' | C3' | C4' | O4' | 11.1° | 24.0° |
| C2' | C3' | C4' | C5' | 132.8° | 142.9° |
| C2' | C3' | C4' | HC4' | 111.3° | 94.8° |
| C3' | C2' | O2' | HO'2 | 64.8° | 61.5° |
| C2' | C3' | O3' | HO'3 | 180.0° | 65.3° |
| O2' | C2' | C3' | C4' | 131.1° | 118.8° |
| O2' | C2' | C3' | O3' | 11.3° | 0.1° |
| O2' | C2' | C3' | HC3' | 106.7° | 122.5° |
| HC2' | C2' | C3' | C4' | 110.6° | 118.6° |
| HC2' | C2' | C3' | O3' | 129.5° | 122.7° |
| HC2' | C2' | C3' | HC3' | 11.5° | 0.1° |
| HC2' | C2' | O2' | HO'2 | 58.3° | 61.1° |
| C4' | C3' | O3' | HC3' | 122.2° | 122.7° |
| C3' | C4' | O4' | C5' | 124.9° | 119.0° |
| C3' | C4' | O4' | HC4' | 118.9° | 118.8° |
| C3' | C4' | C5' | HC4' | 118.4° | 122.3° |
| C4' | C3' | O3' | HO'3 | 63.4° | 180.0° |
| C3' | C4' | C5' | O5' | 136.2° | 177.0° |
| C3' | C4' | C5' | HC51 | 98.5° | 63.1° |
| C3' | C4' | C5' | HC52 | 10.9° | 56.9° |
| O3' | C3' | C4' | O4' | 132.0° | 142.7° |
| O3' | C3' | C4' | C5' | 106.3° | 98.4° |
| O3' | C3' | C4' | HC4' | 9.6° | 23.9° |
| HC3' | C3' | C4' | O4' | 110.0° | 94.6° |
| HC3' | C3' | C4' | C5' | 11.7° | 24.3° |
| HC3' | C3' | C4' | HC4' | 127.6° | 146.6° |
| HC3' | C3' | O3' | HO'3 | 58.8° | 57.3° |
| O4' | C4' | C5' | HC4' | 122.2° | 122.2° |
| O4' | C4' | C5' | O5' | 16.8° | 61.5° |
| O4' | C4' | C5' | HC51 | 142.1° | 178.5° |
| O4' | C4' | C5' | HC52 | 108.5° | 58.6° |
| C4' | C5' | O5' | HC51 | 125.3° | 120.0° |
| C4' | C5' | O5' | HC52 | 125.3° | 120.0° |
| C4' | C5' | HC51 | HC52 | 116.9° | 120.0° |
| C4' | C5' | O5' | P | 123.2° | 180.0° |
| HC4' | C4' | C5' | O5' | 105.4° | 60.7° |
| HC4' | C4' | C5' | HC51 | 19.9° | 59.3° |
| HC4' | C4' | C5' | HC52 | 129.3° | 179.2° |
| O5' | C5' | HC51 | HC52 | 117.0° | 120.0° |
| C5' | O5' | P | O6 | 57.2° | 180.0° |
| C5' | O5' | P | O7 | 64.0° | 60.1° |
| C5' | O5' | P | O8 | 176.1° | 60.0° |
| HC51 | C5' | O5' | P | 111.6° | 60.0° |
| HC52 | C5' | O5' | P | 2.1° | 60.0° |
| O5' | P | O6 | O7 | 122.5° | 120.0° |
| O5' | P | O6 | O8 | 122.3° | 120.0° |
| O5' | P | O7 | O8 | 122.6° | 120.0° |
| O5' | P | O6 | HO6 | 180.0° | 180.0° |
| O5' | P | O7 | HO7 | 180.0° | 60.0° |
| O6 | P | O7 | O8 | 114.5° | 120.0° |
| O6 | P | O7 | HO7 | 57.1° | 60.1° |
| O7 | P | O6 | HO6 | 57.4° | 60.0° |
| O8 | P | O6 | HO6 | 57.8° | 60.0° |
| O8 | P | O7 | HO7 | 57.4° | 180.0° |
