A1A30
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | S | sing | 1.81Å | 1.75Å | |
| O | S | doub | 1.42Å | 1.43Å | |
| O1 | S | doub | 1.42Å | 1.43Å | |
| S | N | sing | 1.66Å | 1.62Å | |
| N | C1 | sing | 1.47Å | 1.48Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| N | C5 | sing | 1.47Å | 1.47Å | |
| C4 | C6 | sing | 1.51Å | 1.50Å | |
| C6 | O2 | doub | 1.21Å | 1.21Å | |
| O3 | C6 | sing | 1.34Å | 1.30Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| O3 | H12 | sing | 0.97Å | 0.95Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | S | O | 108.5° | 110.5° |
| C | S | O1 | 108.4° | 110.6° |
| C | S | N | 106.9° | 104.5° |
| S | C | H | 109.5° | 109.5° |
| S | C | H1 | 109.5° | 109.5° |
| S | C | H2 | 109.5° | 109.4° |
| O | S | O1 | 118.6° | 121.0° |
| O | S | N | 106.9° | 104.3° |
| O1 | S | N | 107.1° | 104.3° |
| S | N | C1 | 115.8° | 120.6° |
| S | N | C5 | 119.4° | 120.7° |
| N | C1 | C2 | 110.1° | 108.8° |
| C1 | N | C5 | 112.9° | 118.7° |
| N | C1 | H3 | 109.3° | 109.6° |
| N | C1 | H4 | 109.3° | 109.7° |
| C1 | C2 | C3 | 110.5° | 109.3° |
| C1 | C2 | H5 | 109.2° | 109.5° |
| C1 | C2 | H6 | 109.2° | 109.5° |
| C2 | C1 | H3 | 109.3° | 109.6° |
| C2 | C1 | H4 | 109.3° | 109.6° |
| C2 | C3 | C4 | 111.7° | 109.5° |
| C2 | C3 | H7 | 108.9° | 109.4° |
| C2 | C3 | H8 | 108.9° | 109.4° |
| C3 | C2 | H5 | 109.2° | 109.5° |
| C3 | C2 | H6 | 109.2° | 109.5° |
| C3 | C4 | C5 | 110.7° | 109.3° |
| C3 | C4 | C6 | 111.0° | 109.5° |
| C3 | C4 | H9 | 107.8° | 109.5° |
| C4 | C3 | H7 | 108.9° | 109.5° |
| C4 | C3 | H8 | 108.9° | 109.5° |
| C4 | C5 | N | 108.0° | 108.7° |
| C5 | C4 | C6 | 111.2° | 109.5° |
| C5 | C4 | H9 | 107.8° | 109.5° |
| C4 | C5 | H10 | 109.8° | 109.6° |
| C4 | C5 | H11 | 109.8° | 109.6° |
| N | C5 | H10 | 109.8° | 109.6° |
| N | C5 | H11 | 109.8° | 109.6° |
| C4 | C6 | O2 | 122.9° | 120.0° |
| C4 | C6 | O3 | 113.1° | 120.0° |
| C6 | C4 | H9 | 108.2° | 109.5° |
| O2 | C6 | O3 | 124.0° | 120.0° |
| C6 | O3 | H12 | 109.5° | 117.0° |
| H10 | C5 | H11 | 109.5° | 109.6° |
| H7 | C3 | H8 | 109.4° | 109.4° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.6° |
| H | C | H1 | 109.5° | 109.5° |
| H | C | H2 | 109.5° | 109.5° |
| H1 | C | H2 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | S | O | O1 | 124.1° | 131.5° |
| C | S | O | N | 114.9° | 111.8° |
| C | S | O1 | N | 115.0° | 111.8° |
| C | S | N | C1 | 64.6° | 90.0° |
| C | S | N | C5 | 75.5° | 89.9° |
| S | C | H | H1 | 120.0° | 120.0° |
| S | C | H | H2 | 120.0° | 120.0° |
| S | C | H1 | H2 | 120.0° | 119.9° |
| O | S | O1 | N | 120.9° | 116.8° |
| O | S | N | C1 | 51.4° | 153.9° |
| O | S | N | C5 | 168.5° | 26.2° |
| O | S | C | H | 180.0° | 51.7° |
| O | S | C | H1 | 60.0° | 68.4° |
| O | S | C | H2 | 60.0° | 171.7° |
| O1 | S | N | C1 | 179.4° | 26.1° |
| O1 | S | N | C5 | 40.5° | 154.0° |
| O1 | S | C | H | 50.0° | 171.7° |
| O1 | S | C | H1 | 70.0° | 68.3° |
| O1 | S | C | H2 | 170.1° | 51.6° |
| S | N | C1 | C5 | 142.7° | 179.9° |
| S | N | C1 | C2 | 155.3° | 126.5° |
| S | N | C5 | C4 | 157.1° | 126.5° |
| S | N | C5 | H10 | 83.1° | 113.7° |
| S | N | C5 | H11 | 37.3° | 6.7° |
| S | N | C1 | H3 | 84.6° | 6.7° |
| S | N | C1 | H4 | 35.2° | 113.7° |
| N | S | C | H | 65.1° | 60.0° |
| N | S | C | H1 | 174.9° | 180.0° |
| N | S | C | H2 | 54.9° | 60.1° |
| N | C1 | C2 | H3 | 120.1° | 119.8° |
| N | C1 | C2 | H4 | 120.1° | 119.9° |
| N | C1 | C2 | C3 | 55.3° | 54.6° |
| C1 | N | C5 | C4 | 61.7° | 53.7° |
| C1 | N | C5 | H10 | 58.1° | 66.2° |
| C1 | N | C5 | H11 | 178.5° | 173.4° |
| N | C1 | C2 | H5 | 175.5° | 65.3° |
| N | C1 | C2 | H6 | 64.8° | 174.6° |
| N | C1 | H3 | H4 | 119.7° | 120.4° |
| C1 | C2 | C3 | H5 | 120.1° | 119.9° |
| C1 | C2 | C3 | H6 | 120.2° | 120.0° |
| C1 | C2 | C3 | C4 | 52.4° | 61.4° |
| C2 | C1 | N | C5 | 62.0° | 53.6° |
| C1 | C2 | C3 | H7 | 67.9° | 178.6° |
| C1 | C2 | C3 | H8 | 172.8° | 58.7° |
| C1 | C2 | H5 | H6 | 119.6° | 120.1° |
| C2 | C1 | H3 | H4 | 119.7° | 120.3° |
| C2 | C3 | C4 | H7 | 120.4° | 120.0° |
| C2 | C3 | C4 | H8 | 120.4° | 120.0° |
| C2 | C3 | C4 | C5 | 53.4° | 61.4° |
| C2 | C3 | C4 | C6 | 177.5° | 178.7° |
| C2 | C3 | C4 | H9 | 64.2° | 58.6° |
| C2 | C3 | H7 | H8 | 119.0° | 119.9° |
| C3 | C2 | H5 | H6 | 119.5° | 120.1° |
| C3 | C2 | C1 | H3 | 64.7° | 174.4° |
| C3 | C2 | C1 | H4 | 175.4° | 65.3° |
| C3 | C4 | C5 | C6 | 123.9° | 119.9° |
| C3 | C4 | C5 | H9 | 117.6° | 120.0° |
| C3 | C4 | C5 | N | 56.3° | 54.7° |
| C3 | C4 | C6 | H9 | 118.1° | 120.1° |
| C3 | C4 | C6 | O2 | 100.0° | 119.9° |
| C3 | C4 | C6 | O3 | 79.8° | 60.1° |
| C3 | C4 | C5 | H10 | 63.5° | 65.1° |
| C3 | C4 | C5 | H11 | 176.1° | 174.5° |
| C4 | C3 | H7 | H8 | 118.9° | 120.0° |
| C4 | C3 | C2 | H5 | 172.6° | 58.6° |
| C4 | C3 | C2 | H6 | 67.7° | 178.6° |
| C4 | C5 | N | H10 | 119.8° | 119.8° |
| C4 | C5 | N | H11 | 119.8° | 119.8° |
| C5 | C4 | C6 | H9 | 118.2° | 120.1° |
| C5 | C4 | C6 | O2 | 23.7° | 0.1° |
| C5 | C4 | C6 | O3 | 156.5° | 179.9° |
| C4 | C5 | H10 | H11 | 120.7° | 120.3° |
| C5 | C4 | C3 | H7 | 66.9° | 178.6° |
| C5 | C4 | C3 | H8 | 173.8° | 58.6° |
| N | C5 | C4 | C6 | 179.8° | 174.6° |
| N | C5 | C4 | H9 | 61.4° | 65.3° |
| N | C5 | H10 | H11 | 120.7° | 120.4° |
| C5 | N | C1 | H3 | 58.0° | 173.4° |
| C5 | N | C1 | H4 | 177.9° | 66.2° |
| C4 | C6 | O2 | O3 | 179.8° | 180.0° |
| C6 | C4 | C5 | H10 | 60.4° | 54.8° |
| C6 | C4 | C5 | H11 | 60.1° | 65.6° |
| C4 | C6 | O3 | H12 | 179.9° | 180.0° |
| C6 | C4 | C3 | H7 | 57.1° | 58.7° |
| C6 | C4 | C3 | H8 | 62.2° | 61.3° |
| O2 | C6 | C4 | H9 | 141.9° | 120.0° |
| O2 | C6 | O3 | H12 | 0.0° | 0.0° |
| O3 | C6 | C4 | H9 | 38.2° | 60.0° |
| H9 | C4 | C5 | H10 | 178.9° | 174.9° |
| H9 | C4 | C5 | H11 | 58.4° | 54.5° |
| H9 | C4 | C3 | H7 | 175.4° | 61.4° |
| H9 | C4 | C3 | H8 | 56.2° | 178.6° |
| H7 | C3 | C2 | H5 | 52.3° | 61.5° |
| H7 | C3 | C2 | H6 | 171.9° | 58.6° |
| H8 | C3 | C2 | H5 | 67.1° | 178.6° |
| H8 | C3 | C2 | H6 | 52.6° | 61.3° |
| H5 | C2 | C1 | H3 | 55.4° | 54.5° |
| H5 | C2 | C1 | H4 | 64.4° | 174.8° |
| H6 | C2 | C1 | H3 | 175.1° | 65.6° |
| H6 | C2 | C1 | H4 | 55.3° | 54.7° |
| H | C | H1 | H2 | 120.0° | 120.1° |
