DJ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C6 | sing | 1.38Å | 1.29Å | |
| N7 | C8 | doub | 1.30Å | 1.29Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.29Å | Aromatic |
| C6 | C5 | doub | 1.41Å | 1.35Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.30Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.29Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.35Å | Aromatic |
| O4' | C4' | sing | 1.44Å | 1.39Å | |
| O4' | C1' | sing | 1.44Å | 1.36Å | |
| C5' | O5' | sing | 1.43Å | 1.40Å | |
| C5' | C4' | sing | 1.53Å | 1.48Å | |
| N1 | C2 | doub | 1.32Å | 1.28Å | Aromatic |
| NAA | O5' | sing | 1.46Å | 1.41Å | |
| N9 | C4 | sing | 1.37Å | 1.30Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.48Å | |
| C4 | N3 | doub | 1.33Å | 1.31Å | Aromatic |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| C2 | N3 | sing | 1.32Å | 1.28Å | Aromatic |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.39Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C1' | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C2' | H4 | sing | 1.09Å | 1.10Å | |
| C3' | H5 | sing | 1.09Å | 1.10Å | |
| C4' | H6 | sing | 1.09Å | 1.10Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| N6 | H9 | sing | 0.97Å | 1.00Å | |
| N6 | H10 | sing | 0.97Å | 1.00Å | |
| NAA | H11 | sing | 1.01Å | 1.00Å | |
| NAA | H12 | sing | 1.01Å | 1.00Å | |
| O2' | H13 | sing | 0.97Å | 0.95Å | |
| O3' | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C6 | C5 | 122.3° | 120.8° |
| N6 | C6 | N1 | 120.2° | 120.7° |
| C6 | N6 | H9 | 109.5° | 120.0° |
| C6 | N6 | H10 | 109.5° | 120.0° |
| C8 | N7 | C5 | 108.1° | 109.5° |
| N7 | C8 | N9 | 109.8° | 110.0° |
| N7 | C8 | H1 | 125.1° | 125.0° |
| N7 | C5 | C6 | 134.3° | 134.7° |
| N7 | C5 | C4 | 107.1° | 107.1° |
| C5 | C6 | N1 | 117.5° | 118.5° |
| C6 | C5 | C4 | 118.6° | 118.2° |
| C6 | N1 | C2 | 122.4° | 121.2° |
| C8 | N9 | C4 | 107.5° | 107.4° |
| C8 | N9 | C1' | 128.6° | 126.3° |
| N9 | C8 | H1 | 125.1° | 125.0° |
| C5 | C4 | N9 | 107.4° | 106.0° |
| C5 | C4 | N3 | 120.1° | 119.0° |
| C4' | O4' | C1' | 109.4° | 107.0° |
| O4' | C4' | C5' | 105.9° | 110.0° |
| O4' | C4' | C3' | 106.6° | 107.3° |
| O4' | C4' | H6 | 113.2° | 109.9° |
| O4' | C1' | N9 | 109.7° | 110.8° |
| O4' | C1' | C2' | 105.0° | 103.5° |
| O4' | C1' | H2 | 111.6° | 110.6° |
| O5' | C5' | C4' | 111.6° | 109.5° |
| C5' | O5' | NAA | 121.8° | 114.0° |
| O5' | C5' | H7 | 108.9° | 109.5° |
| O5' | C5' | H8 | 108.9° | 109.5° |
| C5' | C4' | C3' | 108.1° | 109.9° |
| C5' | C4' | H6 | 111.6° | 109.9° |
| C4' | C5' | H7 | 108.9° | 109.5° |
| C4' | C5' | H8 | 108.9° | 109.5° |
| N1 | C2 | N3 | 122.0° | 122.5° |
| N1 | C2 | H3 | 119.0° | 118.8° |
| O5' | NAA | H11 | 109.5° | 111.0° |
| O5' | NAA | H12 | 109.5° | 111.0° |
| C4 | N9 | C1' | 123.9° | 126.3° |
| N9 | C4 | N3 | 132.5° | 134.9° |
| N9 | C1' | C2' | 111.9° | 110.6° |
| N9 | C1' | H2 | 109.7° | 110.5° |
| C4 | N3 | C2 | 119.4° | 120.7° |
| C4' | C3' | C2' | 104.5° | 104.2° |
| C4' | C3' | O3' | 105.8° | 110.5° |
| C4' | C3' | H5 | 112.2° | 110.6° |
| C3' | C4' | H6 | 111.1° | 109.9° |
| N3 | C2 | H3 | 119.0° | 118.8° |
| C1' | C2' | C3' | 99.1° | 102.1° |
| C1' | C2' | O2' | 108.8° | 110.9° |
| C2' | C1' | H2 | 108.9° | 110.6° |
| C1' | C2' | H4 | 111.5° | 110.9° |
| C2' | C3' | O3' | 107.3° | 110.5° |
| C3' | C2' | O2' | 111.4° | 110.9° |
| C3' | C2' | H4 | 111.8° | 111.0° |
| C2' | C3' | H5 | 112.1° | 110.5° |
| O3' | C3' | H5 | 114.3° | 110.4° |
| C3' | O3' | H14 | 109.5° | 114.0° |
| O2' | C2' | H4 | 113.4° | 110.8° |
| C2' | O2' | H13 | 109.5° | 114.0° |
| H7 | C5' | H8 | 109.5° | 109.5° |
| H9 | N6 | H10 | 109.5° | 120.0° |
| H11 | NAA | H12 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C6 | C5 | N7 | 0.9° | 0.1° |
| N6 | C6 | C5 | N1 | 179.5° | 179.9° |
| N6 | C6 | C5 | C4 | 179.6° | 180.0° |
| N6 | C6 | N1 | C2 | 180.0° | 180.0° |
| C6 | N6 | H9 | H10 | 120.0° | 180.0° |
| C8 | N7 | C5 | C6 | 179.3° | 180.0° |
| N7 | C8 | N9 | H1 | 180.0° | 179.6° |
| C8 | N7 | C5 | C4 | 0.5° | 0.1° |
| N7 | C8 | N9 | C4 | 1.8° | 0.4° |
| N7 | C8 | N9 | C1' | 179.6° | 180.0° |
| N7 | C5 | C6 | C4 | 178.7° | 179.9° |
| N7 | C5 | C6 | N1 | 179.6° | 180.0° |
| C5 | N7 | C8 | N9 | 0.8° | 0.3° |
| N7 | C5 | C4 | N9 | 1.6° | 0.2° |
| N7 | C5 | C4 | N3 | 179.5° | 180.0° |
| C5 | N7 | C8 | H1 | 179.2° | 179.9° |
| C5 | C6 | N1 | C2 | 0.5° | 0.0° |
| C6 | C5 | C4 | N9 | 179.4° | 179.8° |
| C6 | C5 | C4 | N3 | 0.5° | 0.0° |
| C5 | C6 | N6 | H9 | 179.5° | 0.1° |
| C5 | C6 | N6 | H10 | 60.5° | 180.0° |
| N1 | C6 | C5 | C4 | 0.9° | 0.1° |
| C6 | N1 | C2 | N3 | 0.3° | 0.0° |
| C6 | N1 | C2 | H3 | 179.6° | 179.9° |
| N1 | C6 | N6 | H9 | 0.0° | 180.0° |
| N1 | C6 | N6 | H10 | 120.0° | 0.1° |
| C8 | N9 | C4 | C5 | 2.1° | 0.3° |
| C8 | N9 | C1' | O4' | 48.9° | 19.1° |
| C8 | N9 | C4 | C1' | 177.9° | 179.7° |
| C8 | N9 | C4 | N3 | 179.2° | 179.9° |
| C8 | N9 | C1' | C2' | 67.3° | 95.0° |
| C8 | N9 | C1' | H2 | 171.7° | 142.1° |
| C5 | C4 | N9 | N3 | 178.7° | 179.7° |
| C5 | C4 | N9 | C1' | 180.0° | 180.0° |
| C5 | C4 | N3 | C2 | 0.3° | 0.0° |
| O4' | C4' | C5' | O5' | 66.8° | 67.1° |
| O4' | C4' | C5' | C3' | 113.9° | 117.9° |
| O4' | C4' | C5' | H6 | 123.6° | 121.1° |
| C4' | O4' | C1' | N9 | 157.8° | 158.6° |
| O4' | C4' | C3' | H6 | 123.7° | 119.4° |
| C4' | O4' | C1' | C2' | 37.3° | 40.0° |
| O4' | C4' | C3' | C2' | 6.6° | 2.0° |
| O4' | C4' | C3' | O3' | 106.6° | 120.7° |
| C4' | O4' | C1' | H2 | 80.5° | 78.5° |
| O4' | C4' | C3' | H5 | 128.2° | 116.7° |
| O4' | C4' | C5' | H7 | 172.9° | 172.9° |
| O4' | C4' | C5' | H8 | 53.5° | 52.9° |
| C1' | O4' | C4' | C5' | 134.3° | 146.0° |
| O4' | C1' | N9 | C4 | 128.6° | 160.5° |
| O4' | C1' | N9 | C2' | 116.1° | 114.2° |
| O4' | C1' | N9 | H2 | 122.8° | 122.9° |
| C1' | O4' | C4' | C3' | 19.4° | 26.5° |
| O4' | C1' | C2' | H2 | 119.6° | 118.5° |
| O4' | C1' | C2' | C3' | 38.5° | 37.0° |
| O4' | C1' | C2' | O2' | 154.9° | 155.2° |
| O4' | C1' | C2' | H4 | 79.3° | 81.3° |
| C1' | O4' | C4' | H6 | 103.1° | 92.9° |
| O5' | C5' | C4' | H7 | 120.3° | 120.0° |
| O5' | C5' | C4' | H8 | 120.3° | 120.0° |
| O5' | C5' | C4' | C3' | 47.2° | 175.0° |
| O5' | C5' | C4' | H6 | 169.6° | 54.0° |
| O5' | C5' | H7 | H8 | 119.0° | 120.0° |
| C5' | O5' | NAA | H11 | 180.0° | 56.1° |
| C5' | O5' | NAA | H12 | 60.0° | 180.0° |
| C4' | C5' | O5' | NAA | 45.6° | 180.0° |
| C5' | C4' | C3' | H6 | 122.8° | 121.0° |
| C5' | C4' | C3' | C2' | 106.9° | 121.6° |
| C5' | C4' | C3' | O3' | 140.0° | 119.7° |
| C5' | C4' | C3' | H5 | 14.7° | 2.9° |
| C4' | C5' | H7 | H8 | 119.0° | 120.0° |
| N1 | C2 | N3 | C4 | 0.8° | 0.0° |
| N1 | C2 | N3 | H3 | 180.0° | 179.9° |
| NAA | O5' | C5' | H7 | 165.9° | 60.0° |
| NAA | O5' | C5' | H8 | 74.7° | 60.0° |
| O5' | NAA | H11 | H12 | 120.0° | 124.0° |
| N9 | C4 | N3 | C2 | 178.2° | 179.7° |
| C4 | N9 | C1' | C2' | 115.2° | 85.4° |
| C4 | N9 | C8 | H1 | 178.2° | 180.0° |
| C4 | N9 | C1' | H2 | 5.8° | 37.5° |
| C1' | N9 | C4 | N3 | 1.3° | 0.3° |
| N9 | C1' | C2' | H2 | 121.5° | 122.8° |
| N9 | C1' | C2' | C3' | 157.5° | 155.7° |
| N9 | C1' | C2' | O2' | 86.2° | 86.1° |
| C1' | N9 | C8 | H1 | 0.4° | 0.4° |
| N9 | C1' | C2' | H4 | 39.6° | 37.4° |
| C4 | N3 | C2 | H3 | 179.2° | 179.9° |
| C4' | C3' | C2' | C1' | 26.0° | 20.9° |
| C4' | C3' | C2' | O3' | 112.1° | 118.7° |
| C4' | C3' | C2' | H5 | 121.7° | 118.8° |
| C4' | C3' | O3' | H5 | 123.9° | 122.7° |
| C4' | C3' | C2' | O2' | 140.4° | 139.0° |
| C4' | C3' | C2' | H4 | 91.6° | 97.3° |
| C3' | C4' | C5' | H7 | 73.2° | 55.0° |
| C3' | C4' | C5' | H8 | 167.5° | 65.0° |
| C4' | C3' | O3' | H14 | 180.0° | 176.3° |
| C1' | C2' | C3' | O2' | 114.4° | 118.2° |
| C1' | C2' | C3' | H4 | 117.6° | 118.2° |
| C1' | C2' | C3' | O3' | 86.1° | 97.8° |
| C1' | C2' | O2' | H4 | 124.7° | 123.6° |
| C1' | C2' | C3' | H5 | 147.7° | 139.7° |
| C1' | C2' | O2' | H13 | 180.0° | 180.0° |
| C2' | C3' | O3' | H5 | 124.9° | 122.5° |
| C3' | C2' | O2' | H4 | 127.1° | 123.7° |
| C3' | C2' | C1' | H2 | 81.1° | 81.5° |
| C2' | C3' | C4' | H6 | 130.3° | 117.4° |
| C3' | C2' | O2' | H13 | 71.8° | 67.3° |
| C2' | C3' | O3' | H14 | 68.8° | 61.5° |
| O3' | C3' | C2' | O2' | 28.3° | 20.4° |
| O3' | C3' | C2' | H4 | 156.3° | 144.0° |
| O3' | C3' | C4' | H6 | 17.2° | 1.3° |
| O2' | C2' | C1' | H2 | 35.3° | 36.7° |
| O2' | C2' | C3' | H5 | 98.0° | 102.2° |
| H2 | C1' | C2' | H4 | 161.1° | 160.2° |
| H4 | C2' | C3' | H5 | 30.0° | 21.5° |
| H4 | C2' | O2' | H13 | 55.3° | 56.4° |
| H5 | C3' | C4' | H6 | 108.0° | 123.9° |
| H5 | C3' | O3' | H14 | 56.1° | 61.1° |
| H6 | C4' | C5' | H7 | 49.3° | 66.0° |
| H6 | C4' | C5' | H8 | 70.1° | 174.0° |
