A1ADI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | S1 | doub | 1.42Å | 1.48Å | |
| C19 | C3' | sing | 1.54Å | 1.53Å | |
| C19 | C4 | sing | 1.51Å | 1.51Å | |
| O1' | S1' | doub | 1.42Å | 1.49Å | |
| S1 | O3 | doub | 1.42Å | 1.50Å | |
| S1 | O2 | sing | 1.52Å | 1.48Å | |
| S1 | C1 | sing | 1.81Å | 1.69Å | |
| C3' | N1' | sing | 1.48Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.47Å | 1.48Å | |
| C4 | N1 | sing | 1.48Å | 1.47Å | |
| O2' | S1' | doub | 1.42Å | 1.50Å | |
| S1' | C1' | sing | 1.81Å | 1.69Å | |
| S1' | O3' | sing | 1.52Å | 1.48Å | |
| C1' | C2' | sing | 1.53Å | 1.53Å | |
| N1' | C2' | sing | 1.47Å | 1.51Å | |
| N1' | C4' | sing | 1.45Å | 1.49Å | |
| N1 | C3 | sing | 1.40Å | 1.49Å | |
| C3 | C4' | sing | 1.54Å | 1.54Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C1' | H4 | sing | 1.09Å | 1.10Å | |
| C1' | H5 | sing | 1.09Å | 1.10Å | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C4' | H9 | sing | 1.09Å | 1.10Å | |
| C4' | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3' | H13 | sing | 1.09Å | 1.10Å | |
| C3' | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| O3' | H1 | sing | 0.97Å | 0.95Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | S1 | O3 | 111.1° | 121.0° |
| O1 | S1 | O2 | 109.3° | 104.3° |
| O1 | S1 | C1 | 113.9° | 110.6° |
| C3' | C19 | C4 | 115.1° | 112.1° |
| C19 | C3' | N1' | 110.4° | 112.5° |
| C19 | C3' | H13 | 109.3° | 108.9° |
| C19 | C3' | H14 | 109.3° | 108.8° |
| C3' | C19 | H15 | 108.0° | 109.0° |
| C3' | C19 | H16 | 108.0° | 108.9° |
| C19 | C4 | N1 | 114.3° | 108.6° |
| C19 | C4 | H2 | 108.2° | 109.6° |
| C19 | C4 | H3 | 108.3° | 109.8° |
| C4 | C19 | H15 | 108.0° | 109.0° |
| C4 | C19 | H16 | 108.0° | 108.9° |
| O1' | S1' | O2' | 113.6° | 121.0° |
| O1' | S1' | C1' | 100.7° | 110.6° |
| O1' | S1' | O3' | 108.0° | 104.2° |
| O3 | S1 | O2 | 110.0° | 104.3° |
| O3 | S1 | C1 | 109.8° | 110.6° |
| O2 | S1 | C1 | 102.4° | 104.5° |
| S1 | O2 | H8 | 109.5° | 114.0° |
| S1 | C1 | C2 | 118.0° | 109.5° |
| S1 | C1 | H19 | 107.3° | 109.5° |
| S1 | C1 | H20 | 107.3° | 109.5° |
| C3' | N1' | C2' | 117.7° | 111.0° |
| C3' | N1' | C4' | 113.1° | 113.9° |
| N1' | C3' | H13 | 109.2° | 108.9° |
| N1' | C3' | H14 | 109.2° | 108.9° |
| C1 | C2 | N1 | 108.1° | 109.5° |
| C1 | C2 | H17 | 109.8° | 109.5° |
| C1 | C2 | H18 | 109.8° | 109.5° |
| C2 | C1 | H19 | 107.3° | 109.5° |
| C2 | C1 | H20 | 107.3° | 109.4° |
| C2 | N1 | C4 | 109.1° | 111.0° |
| C2 | N1 | C3 | 112.5° | 111.0° |
| N1 | C2 | H17 | 109.8° | 109.5° |
| N1 | C2 | H18 | 109.8° | 109.5° |
| C4 | N1 | C3 | 114.6° | 114.1° |
| N1 | C4 | H2 | 108.3° | 109.6° |
| N1 | C4 | H3 | 108.3° | 109.6° |
| O2' | S1' | C1' | 116.5° | 110.6° |
| O2' | S1' | O3' | 106.1° | 104.3° |
| C1' | S1' | O3' | 111.7° | 104.4° |
| S1' | C1' | C2' | 117.6° | 109.5° |
| S1' | C1' | H4 | 107.4° | 109.5° |
| S1' | C1' | H5 | 107.4° | 109.4° |
| S1' | O3' | H1 | 109.5° | 114.0° |
| C1' | C2' | N1' | 118.5° | 109.5° |
| C2' | C1' | H4 | 107.4° | 109.5° |
| C2' | C1' | H5 | 107.4° | 109.5° |
| C1' | C2' | H6 | 107.1° | 109.5° |
| C1' | C2' | H7 | 107.2° | 109.5° |
| C2' | N1' | C4' | 114.4° | 111.1° |
| N1' | C2' | H6 | 107.2° | 109.4° |
| N1' | C2' | H7 | 107.2° | 109.4° |
| N1' | C4' | C3 | 108.8° | 108.9° |
| N1' | C4' | H9 | 109.6° | 109.6° |
| N1' | C4' | H10 | 109.6° | 109.6° |
| N1 | C3 | C4' | 113.2° | 112.1° |
| N1 | C3 | H11 | 108.5° | 109.0° |
| N1 | C3 | H12 | 108.5° | 109.0° |
| C3 | C4' | H9 | 109.6° | 109.5° |
| C3 | C4' | H10 | 109.6° | 109.7° |
| C4' | C3 | H11 | 108.5° | 109.0° |
| C4' | C3 | H12 | 108.5° | 109.0° |
| H2 | C4 | H3 | 109.5° | 109.6° |
| H4 | C1' | H5 | 109.5° | 109.5° |
| H6 | C2' | H7 | 109.5° | 109.5° |
| H9 | C4' | H10 | 109.5° | 109.6° |
| H11 | C3 | H12 | 109.5° | 108.8° |
| H13 | C3' | H14 | 109.4° | 108.8° |
| H15 | C19 | H16 | 109.5° | 108.8° |
| H17 | C2 | H18 | 109.5° | 109.4° |
| H19 | C1 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | S1 | O3 | O2 | 121.2° | 116.7° |
| O1 | S1 | O3 | C1 | 126.8° | 131.5° |
| O1 | S1 | O2 | C1 | 121.0° | 116.1° |
| O1 | S1 | C1 | C2 | 64.4° | 68.4° |
| O1 | S1 | C1 | H19 | 56.8° | 51.6° |
| O1 | S1 | C1 | H20 | 174.4° | 171.7° |
| O1 | S1 | O2 | H8 | 0.0° | 63.9° |
| C3' | C19 | C4 | H15 | 120.8° | 120.7° |
| C3' | C19 | C4 | H16 | 120.8° | 120.7° |
| C19 | C3' | N1' | H13 | 120.2° | 120.8° |
| C19 | C3' | N1' | H14 | 120.2° | 120.7° |
| C3' | C19 | C4 | N1 | 89.8° | 92.5° |
| C19 | C3' | N1' | C2' | 162.5° | 167.8° |
| C19 | C3' | N1' | C4' | 60.4° | 41.6° |
| C3' | C19 | C4 | H2 | 30.9° | 27.2° |
| C3' | C19 | C4 | H3 | 149.4° | 147.6° |
| C19 | C3' | H13 | H14 | 119.6° | 118.5° |
| C3' | C19 | H15 | H16 | 117.4° | 118.7° |
| C4 | C19 | C3' | N1' | 73.2° | 41.4° |
| C19 | C4 | N1 | C2 | 86.6° | 153.8° |
| C19 | C4 | N1 | H2 | 120.7° | 119.7° |
| C19 | C4 | N1 | H3 | 120.7° | 119.9° |
| C19 | C4 | N1 | C3 | 40.6° | 79.9° |
| C19 | C4 | H2 | H3 | 117.8° | 120.6° |
| C4 | C19 | C3' | H13 | 166.7° | 162.2° |
| C4 | C19 | C3' | H14 | 47.0° | 79.3° |
| C4 | C19 | H15 | H16 | 117.4° | 118.7° |
| O1' | S1' | O2' | C1' | 116.4° | 131.6° |
| O1' | S1' | O2' | O3' | 118.5° | 116.7° |
| O1' | S1' | C1' | O3' | 114.4° | 111.6° |
| O1' | S1' | C1' | C2' | 139.9° | 68.4° |
| O1' | S1' | C1' | H4 | 98.9° | 171.6° |
| O1' | S1' | C1' | H5 | 18.8° | 51.6° |
| O1' | S1' | O3' | H1 | 122.2° | 63.9° |
| O3 | S1 | O2 | C1 | 116.6° | 116.1° |
| O3 | S1 | C1 | C2 | 60.9° | 68.4° |
| O3 | S1 | C1 | H19 | 177.9° | 171.6° |
| O3 | S1 | C1 | H20 | 60.3° | 51.6° |
| O3 | S1 | O2 | H8 | 122.3° | 63.9° |
| O2 | S1 | C1 | C2 | 177.8° | 180.0° |
| O2 | S1 | C1 | H19 | 61.0° | 60.0° |
| O2 | S1 | C1 | H20 | 56.5° | 60.1° |
| S1 | C1 | C2 | H19 | 121.2° | 120.0° |
| S1 | C1 | C2 | H20 | 121.2° | 120.0° |
| S1 | C1 | C2 | N1 | 167.8° | 180.0° |
| S1 | C1 | C2 | H17 | 72.4° | 60.0° |
| S1 | C1 | C2 | H18 | 48.0° | 60.0° |
| S1 | C1 | H19 | H20 | 116.1° | 120.0° |
| C1 | S1 | O2 | H8 | 121.0° | 180.0° |
| C3' | N1' | C2' | C1' | 5.2° | 62.3° |
| C3' | N1' | C2' | C4' | 136.5° | 127.7° |
| C3' | N1' | C4' | C3 | 83.5° | 94.2° |
| C3' | N1' | C2' | H6 | 116.0° | 177.7° |
| C3' | N1' | C2' | H7 | 126.5° | 57.8° |
| C3' | N1' | C4' | H9 | 156.7° | 146.0° |
| C3' | N1' | C4' | H10 | 36.4° | 25.8° |
| N1' | C3' | H13 | H14 | 119.5° | 118.6° |
| N1' | C3' | C19 | H15 | 166.0° | 162.2° |
| N1' | C3' | C19 | H16 | 47.7° | 79.2° |
| C1 | C2 | N1 | H17 | 119.8° | 120.0° |
| C1 | C2 | N1 | H18 | 119.8° | 120.0° |
| C1 | C2 | N1 | C4 | 95.8° | 62.0° |
| C1 | C2 | N1 | C3 | 135.8° | 170.0° |
| C1 | C2 | H17 | H18 | 120.6° | 120.0° |
| C2 | C1 | H19 | H20 | 116.2° | 120.0° |
| C2 | N1 | C4 | C3 | 127.2° | 126.3° |
| C2 | N1 | C3 | C4' | 162.4° | 171.9° |
| C2 | N1 | C4 | H2 | 152.7° | 86.5° |
| C2 | N1 | C4 | H3 | 34.2° | 33.8° |
| C2 | N1 | C3 | H11 | 77.1° | 51.2° |
| C2 | N1 | C3 | H12 | 41.8° | 67.4° |
| N1 | C2 | H17 | H18 | 120.6° | 120.0° |
| N1 | C2 | C1 | H19 | 46.6° | 60.0° |
| N1 | C2 | C1 | H20 | 71.0° | 60.0° |
| C4 | N1 | C3 | C4' | 36.9° | 61.8° |
| N1 | C4 | H2 | H3 | 117.8° | 120.4° |
| C4 | N1 | C3 | H11 | 157.5° | 177.5° |
| C4 | N1 | C3 | H12 | 83.6° | 58.9° |
| N1 | C4 | C19 | H15 | 149.4° | 146.8° |
| N1 | C4 | C19 | H16 | 31.0° | 28.1° |
| C4 | N1 | C2 | H17 | 144.4° | 58.0° |
| C4 | N1 | C2 | H18 | 24.0° | 178.0° |
| O2' | S1' | C1' | O3' | 122.2° | 111.6° |
| O2' | S1' | C1' | C2' | 16.6° | 68.4° |
| O2' | S1' | C1' | H4 | 137.7° | 51.6° |
| O2' | S1' | C1' | H5 | 104.6° | 171.6° |
| O2' | S1' | O3' | H1 | 0.0° | 63.9° |
| S1' | C1' | C2' | H4 | 121.2° | 120.0° |
| S1' | C1' | C2' | H5 | 121.2° | 120.0° |
| S1' | C1' | C2' | N1' | 150.6° | 180.0° |
| S1' | C1' | H4 | H5 | 116.3° | 119.9° |
| S1' | C1' | C2' | H6 | 29.3° | 60.0° |
| S1' | C1' | C2' | H7 | 88.1° | 60.0° |
| C1' | S1' | O3' | H1 | 127.9° | 180.0° |
| O3' | S1' | C1' | C2' | 105.6° | 180.0° |
| O3' | S1' | C1' | H4 | 15.5° | 60.0° |
| O3' | S1' | C1' | H5 | 133.2° | 60.0° |
| C1' | C2' | N1' | H6 | 121.3° | 120.0° |
| C1' | C2' | N1' | H7 | 121.3° | 120.0° |
| C1' | C2' | N1' | C4' | 131.3° | 170.0° |
| C2' | C1' | H4 | H5 | 116.3° | 120.1° |
| C1' | C2' | H6 | H7 | 115.9° | 120.1° |
| C2' | N1' | C4' | C3 | 138.0° | 139.6° |
| N1' | C2' | C1' | H4 | 88.2° | 60.0° |
| N1' | C2' | C1' | H5 | 29.4° | 60.0° |
| N1' | C2' | H6 | H7 | 115.9° | 119.9° |
| C2' | N1' | C4' | H9 | 18.2° | 19.9° |
| C2' | N1' | C4' | H10 | 102.1° | 100.4° |
| C2' | N1' | C3' | H13 | 42.4° | 47.1° |
| C2' | N1' | C3' | H14 | 77.3° | 71.5° |
| N1' | C4' | C3 | N1 | 93.5° | 78.8° |
| N1' | C4' | C3 | H9 | 119.9° | 119.8° |
| N1' | C4' | C3 | H10 | 119.9° | 119.9° |
| C4' | N1' | C2' | H6 | 107.5° | 50.0° |
| C4' | N1' | C2' | H7 | 10.0° | 70.0° |
| N1' | C4' | H9 | H10 | 120.3° | 120.2° |
| N1' | C4' | C3 | H11 | 146.0° | 160.5° |
| N1' | C4' | C3 | H12 | 27.1° | 41.9° |
| C4' | N1' | C3' | H13 | 179.4° | 79.1° |
| C4' | N1' | C3' | H14 | 59.7° | 162.3° |
| N1 | C3 | C4' | H11 | 120.5° | 120.7° |
| N1 | C3 | C4' | H12 | 120.6° | 120.7° |
| C3 | N1 | C4 | H2 | 80.0° | 39.8° |
| C3 | N1 | C4 | H3 | 161.4° | 160.2° |
| N1 | C3 | C4' | H9 | 146.6° | 161.4° |
| N1 | C3 | C4' | H10 | 26.4° | 41.1° |
| N1 | C3 | H11 | H12 | 118.3° | 118.7° |
| C3 | N1 | C2 | H17 | 16.1° | 70.0° |
| C3 | N1 | C2 | H18 | 104.4° | 50.0° |
| C3 | C4' | H9 | H10 | 120.3° | 120.4° |
| C4' | C3 | H11 | H12 | 118.3° | 118.7° |
| H2 | C4 | C19 | H15 | 89.9° | 93.5° |
| H2 | C4 | C19 | H16 | 151.7° | 147.8° |
| H3 | C4 | C19 | H15 | 28.6° | 26.9° |
| H3 | C4 | C19 | H16 | 89.7° | 91.7° |
| H4 | C1' | C2' | H6 | 150.5° | 180.0° |
| H4 | C1' | C2' | H7 | 33.1° | 60.0° |
| H5 | C1' | C2' | H6 | 91.8° | 60.0° |
| H5 | C1' | C2' | H7 | 150.7° | 180.0° |
| H9 | C4' | C3 | H11 | 26.1° | 40.7° |
| H9 | C4' | C3 | H12 | 92.8° | 77.9° |
| H10 | C4' | C3 | H11 | 94.1° | 79.6° |
| H10 | C4' | C3 | H12 | 147.0° | 161.8° |
| H13 | C3' | C19 | H15 | 45.9° | 77.1° |
| H13 | C3' | C19 | H16 | 72.5° | 41.6° |
| H14 | C3' | C19 | H15 | 73.8° | 41.4° |
| H14 | C3' | C19 | H16 | 167.8° | 160.0° |
| H17 | C2 | C1 | H19 | 166.4° | 180.0° |
| H17 | C2 | C1 | H20 | 48.8° | 60.0° |
| H18 | C2 | C1 | H19 | 73.2° | 60.0° |
| H18 | C2 | C1 | H20 | 169.2° | 180.0° |
