34T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | C8 | sing | 1.76Å | 1.83Å | |
| S | HS | sing | 1.34Å | 1.30Å | |
| S | O2 | doub | 1.42Å | 1.68Å | |
| O1 | S | doub | 1.42Å | 1.49Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | C10 | sing | 1.53Å | 1.49Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.50Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C5 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C6 | sing | 1.38Å | 1.36Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.40Å | 1.36Å | Aromatic |
| C9 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | N | sing | 1.39Å | 1.34Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| N | C1 | sing | 1.46Å | 1.46Å | |
| HN | N | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | S | HS | 111.5° | 107.2° |
| C8 | S | O2 | 108.0° | 106.4° |
| C8 | S | O1 | 108.9° | 106.4° |
| S | C8 | C7 | 120.0° | 119.8° |
| S | C8 | C9 | 114.1° | 119.8° |
| HS | S | O2 | 108.9° | 106.4° |
| HS | S | O1 | 108.1° | 106.4° |
| O2 | S | O1 | 111.4° | 123.1° |
| C2 | C1 | H1 | 109.3° | 109.7° |
| C2 | C1 | H1A | 109.1° | 109.6° |
| C1 | C2 | C10 | 112.1° | 109.8° |
| C1 | C2 | H2 | 104.8° | 109.8° |
| C1 | C2 | C3 | 112.3° | 107.9° |
| C2 | C1 | N | 110.1° | 108.7° |
| H1 | C1 | H1A | 110.0° | 109.6° |
| H1 | C1 | N | 109.3° | 109.6° |
| H1A | C1 | N | 109.1° | 109.7° |
| C10 | C2 | H2 | 110.5° | 109.8° |
| C10 | C2 | C3 | 106.8° | 109.8° |
| C2 | C10 | H10 | 109.5° | 109.4° |
| C2 | C10 | H10A | 109.5° | 109.5° |
| C2 | C10 | H10B | 109.5° | 109.4° |
| H2 | C2 | C3 | 110.4° | 109.8° |
| C2 | C3 | H3 | 109.9° | 109.5° |
| C2 | C3 | H3A | 110.2° | 109.4° |
| C2 | C3 | C4 | 108.1° | 109.7° |
| H3 | C3 | H3A | 108.5° | 109.4° |
| H3 | C3 | C4 | 109.9° | 109.4° |
| H3A | C3 | C4 | 110.2° | 109.4° |
| C3 | C4 | C5 | 116.7° | 118.1° |
| C3 | C4 | C9 | 118.7° | 122.0° |
| C4 | C5 | H5 | 120.2° | 119.7° |
| C4 | C5 | C6 | 119.7° | 120.5° |
| C5 | C4 | C9 | 124.3° | 119.8° |
| H5 | C5 | C6 | 120.2° | 119.8° |
| C5 | C6 | H6 | 121.1° | 120.0° |
| C5 | C6 | C7 | 117.8° | 119.9° |
| H6 | C6 | C7 | 121.1° | 120.0° |
| C6 | C7 | C8 | 119.7° | 119.9° |
| C6 | C7 | H7 | 120.1° | 120.1° |
| C8 | C7 | H7 | 120.2° | 120.0° |
| C7 | C8 | C9 | 123.4° | 120.4° |
| C8 | C9 | C4 | 113.5° | 119.4° |
| C8 | C9 | N | 120.7° | 117.7° |
| C4 | C9 | N | 125.1° | 122.9° |
| C9 | N | C1 | 116.2° | 113.1° |
| C9 | N | HN | 107.3° | 111.0° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H10 | C10 | H10B | 109.4° | 109.4° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| C1 | N | HN | 107.3° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | S | HS | O2 | 119.1° | 113.6° |
| C8 | S | HS | O1 | 119.7° | 113.6° |
| C8 | S | O2 | O1 | 119.6° | 123.0° |
| S | C8 | C7 | C6 | 176.7° | 180.0° |
| S | C8 | C7 | C9 | 161.2° | 180.0° |
| S | C8 | C7 | H7 | 3.3° | 0.0° |
| S | C8 | C9 | C4 | 170.0° | 179.7° |
| S | C8 | C9 | N | 19.0° | 0.7° |
| HS | S | O2 | O1 | 119.2° | 122.9° |
| HS | S | C8 | C7 | 134.1° | 96.6° |
| HS | S | C8 | C9 | 63.1° | 83.4° |
| O2 | S | C8 | C7 | 106.3° | 149.8° |
| O2 | S | C8 | C9 | 56.6° | 30.2° |
| O1 | S | C8 | C7 | 14.9° | 16.9° |
| O1 | S | C8 | C9 | 177.7° | 163.1° |
| C2 | C1 | H1 | H1A | 119.7° | 120.4° |
| C2 | C1 | H1 | N | 120.5° | 119.2° |
| C2 | C1 | H1A | N | 120.3° | 119.3° |
| C1 | C2 | C10 | H2 | 116.5° | 120.7° |
| C1 | C2 | C10 | C3 | 123.4° | 118.4° |
| C1 | C2 | H2 | C3 | 121.1° | 118.5° |
| C1 | C2 | C3 | H3 | 68.3° | 72.8° |
| C1 | C2 | C3 | H3A | 172.2° | 167.4° |
| C1 | C2 | C3 | C4 | 51.7° | 47.3° |
| C2 | C1 | N | C9 | 41.8° | 53.4° |
| C1 | C2 | C10 | H10 | 114.8° | 60.0° |
| C1 | C2 | C10 | H10A | 125.2° | 180.0° |
| C1 | C2 | C10 | H10B | 5.2° | 60.0° |
| C2 | C1 | N | HN | 161.8° | 179.0° |
| H1 | C1 | H1A | N | 119.8° | 120.3° |
| H1 | C1 | C2 | C10 | 61.6° | 52.4° |
| H1 | C1 | C2 | H2 | 58.3° | 68.3° |
| H1 | C1 | C2 | C3 | 178.2° | 172.0° |
| H1 | C1 | N | C9 | 161.8° | 173.2° |
| H1 | C1 | N | HN | 78.2° | 61.2° |
| H1A | C1 | C2 | C10 | 58.6° | 67.9° |
| H1A | C1 | C2 | H2 | 178.6° | 171.4° |
| H1A | C1 | C2 | C3 | 61.6° | 51.7° |
| H1A | C1 | N | C9 | 77.9° | 66.4° |
| H1A | C1 | N | HN | 42.0° | 59.1° |
| C10 | C2 | H2 | C3 | 117.9° | 120.8° |
| C10 | C2 | C3 | H3 | 55.0° | 46.8° |
| C10 | C2 | C3 | H3A | 64.5° | 73.0° |
| C10 | C2 | C3 | C4 | 175.0° | 166.9° |
| C2 | C10 | H10 | H10A | 120.0° | 120.0° |
| C2 | C10 | H10 | H10B | 120.0° | 119.9° |
| C2 | C10 | H10A | H10B | 120.0° | 120.0° |
| C10 | C2 | C1 | N | 178.4° | 172.2° |
| H2 | C2 | C3 | H3 | 175.2° | 167.6° |
| H2 | C2 | C3 | H3A | 55.7° | 47.7° |
| H2 | C2 | C3 | C4 | 64.8° | 72.3° |
| H2 | C2 | C10 | H10 | 1.8° | 60.8° |
| H2 | C2 | C10 | H10A | 118.3° | 59.3° |
| H2 | C2 | C10 | H10B | 121.7° | 179.3° |
| H2 | C2 | C1 | N | 61.7° | 51.5° |
| C2 | C3 | H3 | H3A | 120.6° | 119.9° |
| C2 | C3 | H3 | C4 | 118.9° | 120.2° |
| C2 | C3 | H3A | C4 | 119.2° | 120.2° |
| C2 | C3 | C4 | C5 | 154.7° | 164.3° |
| C2 | C3 | C4 | C9 | 32.0° | 15.7° |
| C3 | C2 | C10 | H10 | 121.8° | 178.4° |
| C3 | C2 | C10 | H10A | 1.8° | 61.5° |
| C3 | C2 | C10 | H10B | 118.2° | 58.5° |
| C3 | C2 | C1 | N | 58.2° | 68.2° |
| H3 | C3 | H3A | C4 | 120.4° | 119.9° |
| H3 | C3 | C4 | C5 | 85.3° | 75.6° |
| H3 | C3 | C4 | C9 | 88.0° | 104.4° |
| H3A | C3 | C4 | C5 | 34.2° | 44.2° |
| H3A | C3 | C4 | C9 | 152.5° | 135.8° |
| C3 | C4 | C5 | C9 | 172.8° | 180.0° |
| C3 | C4 | C5 | H5 | 12.2° | 0.3° |
| C3 | C4 | C5 | C6 | 167.8° | 179.8° |
| C3 | C4 | C9 | C8 | 170.3° | 179.6° |
| C3 | C4 | C9 | N | 19.1° | 0.9° |
| C4 | C5 | H5 | C6 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 177.5° | 179.9° |
| C4 | C5 | C6 | C7 | 2.5° | 0.1° |
| C5 | C4 | C9 | C8 | 2.4° | 0.4° |
| C5 | C4 | C9 | N | 168.2° | 179.1° |
| H5 | C5 | C6 | H6 | 2.4° | 0.1° |
| H5 | C5 | C6 | C7 | 177.5° | 180.0° |
| H5 | C5 | C4 | C9 | 175.0° | 179.7° |
| C5 | C6 | H6 | C7 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 12.1° | 0.2° |
| C5 | C6 | C7 | H7 | 167.9° | 179.8° |
| C6 | C5 | C4 | C9 | 5.0° | 0.2° |
| H6 | C6 | C7 | C8 | 168.0° | 180.0° |
| H6 | C6 | C7 | H7 | 12.0° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 15.5° | 0.0° |
| C7 | C8 | C9 | C4 | 7.8° | 0.3° |
| C7 | C8 | C9 | N | 178.8° | 179.2° |
| H7 | C7 | C8 | C9 | 164.5° | 180.0° |
| C8 | C9 | C4 | N | 170.6° | 179.5° |
| C8 | C9 | N | C1 | 166.1° | 160.2° |
| C8 | C9 | N | HN | 46.1° | 34.6° |
| C4 | C9 | N | C1 | 24.0° | 20.3° |
| C4 | C9 | N | HN | 143.9° | 145.8° |
| C9 | N | C1 | HN | 120.0° | 125.6° |
| H10 | C10 | H10A | H10B | 119.9° | 120.0° |
