6MD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | doub | 1.32Å | 1.32Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.32Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.33Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.33Å | Aromatic |
| CZ | N6 | sing | 1.46Å | 1.33Å | |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| C6 | C5 | doub | 1.41Å | 1.46Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.45Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.31Å | Aromatic |
| C4' | O4' | sing | 1.44Å | 1.41Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C4' | C3' | sing | 1.54Å | 1.50Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C5 | N7 | sing | 1.35Å | 1.32Å | Aromatic |
| C5' | O5' | sing | 1.43Å | 1.41Å | |
| O3' | C3' | sing | 1.43Å | 1.39Å | |
| C1' | N9 | sing | 1.46Å | 1.48Å | |
| C1' | C2' | sing | 1.55Å | 1.52Å | |
| N9 | C8 | sing | 1.36Å | 1.34Å | Aromatic |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C2' | O2' | sing | 1.43Å | 1.40Å | |
| N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| O5' | H1 | sing | 0.97Å | 0.95Å | |
| C5' | H2 | sing | 1.09Å | 1.10Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C4' | H4 | sing | 1.09Å | 1.10Å | |
| C3' | H5 | sing | 1.09Å | 1.10Å | |
| O3' | H6 | sing | 0.97Å | 0.95Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| O2' | H8 | sing | 0.97Å | 0.95Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| N6 | H11 | sing | 0.97Å | 1.00Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| CZ | H13 | sing | 1.09Å | 1.10Å | |
| CZ | H14 | sing | 1.09Å | 1.10Å | |
| CZ | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | N3 | 122.6° | 122.5° |
| C2 | N1 | C6 | 122.8° | 121.1° |
| N1 | C2 | H12 | 118.7° | 118.7° |
| C2 | N3 | C4 | 120.7° | 120.7° |
| N3 | C2 | H12 | 118.7° | 118.8° |
| N1 | C6 | N6 | 119.6° | 120.7° |
| N1 | C6 | C5 | 118.0° | 118.5° |
| N3 | C4 | C5 | 120.0° | 119.1° |
| N3 | C4 | N9 | 132.2° | 134.9° |
| CZ | N6 | C6 | 113.0° | 120.0° |
| CZ | N6 | H11 | 108.6° | 120.0° |
| N6 | CZ | H13 | 109.5° | 109.4° |
| N6 | CZ | H14 | 109.5° | 109.5° |
| N6 | CZ | H15 | 109.5° | 109.5° |
| N6 | C6 | C5 | 122.5° | 120.8° |
| C6 | N6 | H11 | 108.6° | 120.0° |
| C6 | C5 | C4 | 115.9° | 118.1° |
| C6 | C5 | N7 | 137.9° | 134.7° |
| C5 | C4 | N9 | 107.7° | 106.0° |
| C4 | C5 | N7 | 106.2° | 107.1° |
| C4 | N9 | C1' | 121.4° | 126.3° |
| C4 | N9 | C8 | 107.7° | 107.4° |
| O4' | C4' | C5' | 115.4° | 109.9° |
| O4' | C4' | C3' | 106.0° | 107.3° |
| C4' | O4' | C1' | 105.1° | 107.0° |
| O4' | C4' | H4 | 108.3° | 109.9° |
| C5' | C4' | C3' | 112.7° | 109.9° |
| C4' | C5' | O5' | 110.8° | 109.5° |
| C4' | C5' | H2 | 109.1° | 109.5° |
| C4' | C5' | H3 | 109.1° | 109.5° |
| C5' | C4' | H4 | 106.9° | 109.8° |
| C4' | C3' | O3' | 106.2° | 110.5° |
| C4' | C3' | C2' | 104.4° | 104.1° |
| C3' | C4' | H4 | 107.2° | 110.0° |
| C4' | C3' | H5 | 110.6° | 110.5° |
| O4' | C1' | N9 | 113.4° | 110.6° |
| O4' | C1' | C2' | 102.0° | 103.5° |
| O4' | C1' | H9 | 108.4° | 110.6° |
| C5 | N7 | C8 | 107.7° | 109.5° |
| C5' | O5' | H1 | 109.5° | 114.0° |
| O5' | C5' | H2 | 109.2° | 109.5° |
| O5' | C5' | H3 | 109.1° | 109.5° |
| O3' | C3' | C2' | 112.9° | 110.5° |
| O3' | C3' | H5 | 112.1° | 110.6° |
| C3' | O3' | H6 | 109.5° | 114.0° |
| N9 | C1' | C2' | 117.8° | 110.6° |
| C1' | N9 | C8 | 130.9° | 126.3° |
| N9 | C1' | H9 | 107.6° | 110.6° |
| C1' | C2' | C3' | 101.8° | 102.1° |
| C1' | C2' | O2' | 116.0° | 110.9° |
| C1' | C2' | H7 | 108.3° | 111.0° |
| C2' | C1' | H9 | 107.2° | 110.7° |
| N9 | C8 | N7 | 110.6° | 110.0° |
| N9 | C8 | H10 | 124.7° | 125.1° |
| C3' | C2' | O2' | 112.0° | 110.9° |
| C2' | C3' | H5 | 110.2° | 110.5° |
| C3' | C2' | H7 | 108.3° | 110.9° |
| O2' | C2' | H7 | 109.9° | 110.8° |
| C2' | O2' | H8 | 109.5° | 114.0° |
| N7 | C8 | H10 | 124.7° | 125.0° |
| H2 | C5' | H3 | 109.5° | 109.5° |
| H13 | CZ | H14 | 109.4° | 109.5° |
| H13 | CZ | H15 | 109.5° | 109.5° |
| H14 | CZ | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H12 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.9° | 0.2° |
| C2 | N1 | C6 | N6 | 179.5° | 180.0° |
| C2 | N1 | C6 | C5 | 0.6° | 0.1° |
| N3 | C2 | N1 | C6 | 0.4° | 0.1° |
| C2 | N3 | C4 | C5 | 1.5° | 0.5° |
| C2 | N3 | C4 | N9 | 179.8° | 179.5° |
| N1 | C6 | N6 | CZ | 14.9° | 0.0° |
| N1 | C6 | N6 | C5 | 179.9° | 180.0° |
| N1 | C6 | C5 | C4 | 1.2° | 0.2° |
| N1 | C6 | C5 | N7 | 179.7° | 180.0° |
| N1 | C6 | N6 | H11 | 135.4° | 180.0° |
| C6 | N1 | C2 | H12 | 179.6° | 180.0° |
| N3 | C4 | C5 | C6 | 1.7° | 0.5° |
| N3 | C4 | C5 | N9 | 178.6° | 179.3° |
| N3 | C4 | C5 | N7 | 179.3° | 179.7° |
| N3 | C4 | N9 | C1' | 1.1° | 0.7° |
| N3 | C4 | N9 | C8 | 179.1° | 179.5° |
| C4 | N3 | C2 | H12 | 179.1° | 179.7° |
| CZ | N6 | C6 | H11 | 120.5° | 180.0° |
| CZ | N6 | C6 | C5 | 165.2° | 180.0° |
| N6 | CZ | H13 | H14 | 120.0° | 120.0° |
| N6 | CZ | H13 | H15 | 120.0° | 120.0° |
| N6 | CZ | H14 | H15 | 120.0° | 120.0° |
| N6 | C6 | C5 | C4 | 178.9° | 179.7° |
| N6 | C6 | C5 | N7 | 0.4° | 0.0° |
| C6 | N6 | CZ | H13 | 180.0° | 60.0° |
| C6 | N6 | CZ | H14 | 60.0° | 60.0° |
| C6 | N6 | CZ | H15 | 60.0° | 180.0° |
| C6 | C5 | C4 | N7 | 179.0° | 179.8° |
| C6 | C5 | C4 | N9 | 179.7° | 179.8° |
| C6 | C5 | N7 | C8 | 179.1° | 180.0° |
| C5 | C6 | N6 | H11 | 44.7° | 0.0° |
| C5 | C4 | N9 | C1' | 179.5° | 179.9° |
| C5 | C4 | N9 | C8 | 0.7° | 0.4° |
| C4 | C5 | N7 | C8 | 0.5° | 0.3° |
| C4 | N9 | C1' | O4' | 103.7° | 156.7° |
| N9 | C4 | C5 | N7 | 0.7° | 0.4° |
| C4 | N9 | C1' | C8 | 179.8° | 179.7° |
| C4 | N9 | C1' | C2' | 137.4° | 89.2° |
| C4 | N9 | C8 | N7 | 0.4° | 0.2° |
| C4 | N9 | C1' | H9 | 16.2° | 33.8° |
| C4 | N9 | C8 | H10 | 179.6° | 179.8° |
| O4' | C4' | C5' | C3' | 122.0° | 117.9° |
| O4' | C4' | C5' | H4 | 120.5° | 121.0° |
| O4' | C4' | C3' | H4 | 115.5° | 119.5° |
| O4' | C4' | C5' | O5' | 31.7° | 66.4° |
| O4' | C4' | C3' | O3' | 129.3° | 120.6° |
| C4' | O4' | C1' | N9 | 174.1° | 158.5° |
| C4' | O4' | C1' | C2' | 46.4° | 40.0° |
| O4' | C4' | C3' | C2' | 9.7° | 2.0° |
| O4' | C4' | C5' | H2 | 88.6° | 53.6° |
| O4' | C4' | C5' | H3 | 151.9° | 173.5° |
| O4' | C4' | C3' | H5 | 108.8° | 116.6° |
| C4' | O4' | C1' | H9 | 66.5° | 78.6° |
| C5' | C4' | C3' | H4 | 117.4° | 121.0° |
| C5' | C4' | O4' | C1' | 160.9° | 145.9° |
| C4' | C5' | O5' | H2 | 120.2° | 120.0° |
| C4' | C5' | O5' | H3 | 120.2° | 120.0° |
| C5' | C4' | C3' | O3' | 103.6° | 119.9° |
| C5' | C4' | C3' | C2' | 136.9° | 121.5° |
| C4' | C5' | O5' | H1 | 180.0° | 180.0° |
| C4' | C5' | H2 | H3 | 119.4° | 120.0° |
| C5' | C4' | C3' | H5 | 18.3° | 2.8° |
| C3' | C4' | O4' | C1' | 35.4° | 26.5° |
| C3' | C4' | C5' | O5' | 90.3° | 175.7° |
| C4' | C3' | O3' | C2' | 113.9° | 114.7° |
| C4' | C3' | O3' | H5 | 120.9° | 122.7° |
| C4' | C3' | C2' | C1' | 17.3° | 20.9° |
| C4' | C3' | C2' | H5 | 118.8° | 118.7° |
| C4' | C3' | C2' | O2' | 141.9° | 139.1° |
| C3' | C4' | C5' | H2 | 149.5° | 64.3° |
| C3' | C4' | C5' | H3 | 29.9° | 55.7° |
| C4' | C3' | O3' | H6 | 180.0° | 61.5° |
| C4' | C3' | C2' | H7 | 96.8° | 97.4° |
| O4' | C1' | N9 | C2' | 118.9° | 114.1° |
| O4' | C1' | N9 | H9 | 119.9° | 122.9° |
| O4' | C1' | C2' | H9 | 113.8° | 118.5° |
| O4' | C1' | N9 | C8 | 76.5° | 23.5° |
| O4' | C1' | C2' | C3' | 38.3° | 37.0° |
| O4' | C1' | C2' | O2' | 160.2° | 155.2° |
| C1' | O4' | C4' | H4 | 79.3° | 93.1° |
| O4' | C1' | C2' | H7 | 75.7° | 81.2° |
| C5 | N7 | C8 | N9 | 0.1° | 0.0° |
| C5 | N7 | C8 | H10 | 179.9° | 180.0° |
| O5' | C5' | H2 | H3 | 119.4° | 120.0° |
| O5' | C5' | C4' | H4 | 152.2° | 54.6° |
| O3' | C3' | C2' | C1' | 97.7° | 97.8° |
| O3' | C3' | C2' | H5 | 126.3° | 122.7° |
| O3' | C3' | C2' | O2' | 26.9° | 20.5° |
| O3' | C3' | C4' | H4 | 13.8° | 1.2° |
| O3' | C3' | C2' | H7 | 148.2° | 144.0° |
| N9 | C1' | C2' | H9 | 121.4° | 123.0° |
| N9 | C1' | C2' | C3' | 163.1° | 155.5° |
| N9 | C1' | C2' | O2' | 75.1° | 86.3° |
| C1' | N9 | C8 | N7 | 179.8° | 180.0° |
| N9 | C1' | C2' | H7 | 49.1° | 37.3° |
| C1' | N9 | C8 | H10 | 0.2° | 0.0° |
| C2' | C1' | N9 | C8 | 42.4° | 90.5° |
| C1' | C2' | C3' | O2' | 124.6° | 118.2° |
| C1' | C2' | C3' | H7 | 114.1° | 118.3° |
| C1' | C2' | O2' | H7 | 123.3° | 123.7° |
| C1' | C2' | C3' | H5 | 136.1° | 139.5° |
| C1' | C2' | O2' | H8 | 180.0° | 174.2° |
| N9 | C8 | N7 | H10 | 180.0° | 180.0° |
| C8 | N9 | C1' | H9 | 163.6° | 146.5° |
| C3' | C2' | O2' | H7 | 120.4° | 123.5° |
| C2' | C3' | C4' | H4 | 105.8° | 117.5° |
| C2' | C3' | O3' | H6 | 66.1° | 176.2° |
| C3' | C2' | O2' | H8 | 63.7° | 61.5° |
| C3' | C2' | C1' | H9 | 75.5° | 81.5° |
| O2' | C2' | C3' | H5 | 99.4° | 102.3° |
| O2' | C2' | C1' | H9 | 46.4° | 36.6° |
| H1 | O5' | C5' | H2 | 59.8° | 60.0° |
| H1 | O5' | C5' | H3 | 59.8° | 60.0° |
| H2 | C5' | C4' | H4 | 31.9° | 174.6° |
| H3 | C5' | C4' | H4 | 87.6° | 65.5° |
| H4 | C4' | C3' | H5 | 135.7° | 123.9° |
| H5 | C3' | O3' | H6 | 59.1° | 61.2° |
| H5 | C3' | C2' | H7 | 22.0° | 21.3° |
| H7 | C2' | O2' | H8 | 56.7° | 62.1° |
| H7 | C2' | C1' | H9 | 170.5° | 160.3° |
| H11 | N6 | CZ | H13 | 59.5° | 120.0° |
| H11 | N6 | CZ | H14 | 60.5° | 120.0° |
| H11 | N6 | CZ | H15 | 179.5° | 0.0° |
| H13 | CZ | H14 | H15 | 120.0° | 120.0° |
