T1V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | sing | 1.51Å | 1.52Å | |
| C1 | O | doub | 1.21Å | 1.23Å | |
| N | C1 | sing | 1.35Å | 1.35Å | |
| C2 | N | sing | 1.47Å | 1.46Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| N1 | C3 | sing | 1.47Å | 1.47Å | |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | N | sing | 1.47Å | 1.46Å | |
| S | N1 | sing | 1.66Å | 1.63Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| O2 | S | doub | 1.42Å | 1.43Å | |
| S | C6 | sing | 1.76Å | 1.75Å | |
| C6 | C7 | doub | 1.33Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | C8 | doub | 1.33Å | 1.35Å | Aromatic |
| S1 | C9 | sing | 1.76Å | 1.70Å | Aromatic |
| C6 | S1 | sing | 1.76Å | 1.71Å | Aromatic |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | O | 120.3° | 120.0° |
| C | C1 | N | 119.0° | 120.0° |
| C1 | C | H | 109.5° | 109.5° |
| C1 | C | H2 | 109.4° | 109.5° |
| C1 | C | H1 | 109.5° | 109.5° |
| O | C1 | N | 120.7° | 120.0° |
| C1 | N | C2 | 125.7° | 120.6° |
| C1 | N | C5 | 123.3° | 120.6° |
| N | C2 | C3 | 109.7° | 108.6° |
| C2 | N | C5 | 111.0° | 118.8° |
| N | C2 | H3 | 109.4° | 109.6° |
| N | C2 | H4 | 109.4° | 109.6° |
| C2 | C3 | N1 | 109.4° | 108.7° |
| C3 | C2 | H3 | 109.4° | 109.6° |
| C3 | C2 | H4 | 109.4° | 109.8° |
| C2 | C3 | H5 | 109.5° | 109.6° |
| C2 | C3 | H6 | 109.5° | 109.6° |
| C3 | N1 | C4 | 112.3° | 118.8° |
| C3 | N1 | S | 116.8° | 120.6° |
| N1 | C3 | H5 | 109.5° | 109.6° |
| N1 | C3 | H6 | 109.5° | 109.6° |
| N1 | C4 | C5 | 109.5° | 108.6° |
| C4 | N1 | S | 117.4° | 120.6° |
| N1 | C4 | H7 | 109.5° | 109.5° |
| N1 | C4 | H8 | 109.5° | 109.6° |
| C4 | C5 | N | 110.5° | 108.6° |
| C5 | C4 | H7 | 109.5° | 109.6° |
| C5 | C4 | H8 | 109.5° | 109.7° |
| C4 | C5 | H9 | 109.2° | 109.6° |
| C4 | C5 | H10 | 109.2° | 109.6° |
| N | C5 | H9 | 109.2° | 109.6° |
| N | C5 | H10 | 109.2° | 109.6° |
| N1 | S | O1 | 107.2° | 106.4° |
| N1 | S | O2 | 107.2° | 106.4° |
| N1 | S | C6 | 108.0° | 107.2° |
| O1 | S | O2 | 119.6° | 123.1° |
| O1 | S | C6 | 106.8° | 106.4° |
| O2 | S | C6 | 107.5° | 106.4° |
| S | C6 | C7 | 126.3° | 125.2° |
| S | C6 | S1 | 121.2° | 125.2° |
| C6 | C7 | C8 | 110.7° | 114.9° |
| C7 | C6 | S1 | 112.5° | 109.6° |
| C6 | C7 | H11 | 124.6° | 122.6° |
| C7 | C8 | C9 | 113.1° | 114.9° |
| C8 | C7 | H11 | 124.6° | 122.5° |
| C7 | C8 | H12 | 123.5° | 122.5° |
| C8 | C9 | S1 | 112.1° | 109.6° |
| C9 | C8 | H12 | 123.4° | 122.6° |
| C8 | C9 | H13 | 123.9° | 125.1° |
| C9 | S1 | C6 | 91.0° | 91.0° |
| S1 | C9 | H13 | 123.9° | 125.2° |
| H7 | C4 | H8 | 109.5° | 109.8° |
| H9 | C5 | H10 | 109.5° | 109.8° |
| H | C | H2 | 109.5° | 109.5° |
| H | C | H1 | 109.4° | 109.4° |
| H2 | C | H1 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.6° |
| H5 | C3 | H6 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | O | N | 178.2° | 179.9° |
| C | C1 | N | C2 | 2.2° | 5.1° |
| C | C1 | N | C5 | 178.6° | 174.9° |
| C1 | C | H | H2 | 120.0° | 120.0° |
| C1 | C | H | H1 | 120.0° | 119.9° |
| C1 | C | H2 | H1 | 120.0° | 120.0° |
| O | C1 | N | C2 | 176.0° | 174.9° |
| O | C1 | N | C5 | 3.1° | 5.2° |
| O | C1 | C | H | 0.0° | 174.7° |
| O | C1 | C | H2 | 120.0° | 54.7° |
| O | C1 | C | H1 | 120.0° | 65.4° |
| C1 | N | C2 | C5 | 179.2° | 179.9° |
| C1 | N | C2 | C3 | 119.5° | 124.7° |
| C1 | N | C5 | C4 | 120.4° | 124.7° |
| C1 | N | C5 | H9 | 119.5° | 115.6° |
| C1 | N | C5 | H10 | 0.2° | 4.9° |
| N | C1 | C | H | 178.2° | 5.2° |
| N | C1 | C | H2 | 58.2° | 125.3° |
| N | C1 | C | H1 | 61.8° | 114.6° |
| C1 | N | C2 | H3 | 120.4° | 115.6° |
| C1 | N | C2 | H4 | 0.5° | 4.8° |
| N | C2 | C3 | H3 | 120.0° | 119.7° |
| N | C2 | C3 | H4 | 120.1° | 119.8° |
| N | C2 | C3 | N1 | 57.9° | 49.4° |
| C2 | N | C5 | C4 | 58.8° | 55.2° |
| C2 | N | C5 | H9 | 61.3° | 64.5° |
| C2 | N | C5 | H10 | 179.0° | 175.0° |
| N | C2 | H3 | H4 | 119.9° | 120.3° |
| N | C2 | C3 | H5 | 177.9° | 70.3° |
| N | C2 | C3 | H6 | 62.1° | 169.2° |
| C2 | C3 | N1 | H5 | 120.0° | 119.7° |
| C2 | C3 | N1 | H6 | 120.0° | 119.8° |
| C2 | C3 | N1 | C4 | 57.3° | 55.2° |
| C3 | C2 | N | C5 | 59.7° | 55.2° |
| C2 | C3 | N1 | S | 162.8° | 125.0° |
| C3 | C2 | H3 | H4 | 119.9° | 120.6° |
| C2 | C3 | H5 | H6 | 120.1° | 120.4° |
| C3 | N1 | C4 | S | 139.7° | 179.7° |
| C3 | N1 | C4 | C5 | 56.2° | 55.2° |
| C3 | N1 | S | O1 | 167.4° | 156.4° |
| C3 | N1 | S | O2 | 37.7° | 23.5° |
| C3 | N1 | S | C6 | 77.9° | 90.0° |
| C3 | N1 | C4 | H7 | 176.1° | 174.9° |
| C3 | N1 | C4 | H8 | 63.8° | 64.6° |
| N1 | C3 | C2 | H3 | 62.1° | 70.3° |
| N1 | C3 | C2 | H4 | 178.0° | 169.2° |
| N1 | C3 | H5 | H6 | 120.0° | 120.4° |
| N1 | C4 | C5 | H7 | 120.0° | 119.6° |
| N1 | C4 | C5 | H8 | 120.0° | 119.8° |
| N1 | C4 | C5 | N | 55.9° | 49.5° |
| C4 | N1 | S | O1 | 54.8° | 23.8° |
| C4 | N1 | S | O2 | 175.6° | 156.7° |
| C4 | N1 | S | C6 | 60.0° | 89.7° |
| N1 | C4 | H7 | H8 | 120.0° | 120.4° |
| N1 | C4 | C5 | H9 | 64.3° | 70.3° |
| N1 | C4 | C5 | H10 | 176.0° | 169.2° |
| C4 | N1 | C3 | H5 | 177.3° | 64.5° |
| C4 | N1 | C3 | H6 | 62.7° | 175.0° |
| C4 | C5 | N | H9 | 120.1° | 119.7° |
| C4 | C5 | N | H10 | 120.2° | 119.8° |
| C5 | C4 | N1 | S | 164.2° | 125.0° |
| C5 | C4 | H7 | H8 | 120.0° | 120.5° |
| C4 | C5 | H9 | H10 | 119.5° | 120.5° |
| N | C5 | C4 | H7 | 175.8° | 169.1° |
| N | C5 | C4 | H8 | 64.1° | 70.3° |
| N | C5 | H9 | H10 | 119.6° | 120.4° |
| C5 | N | C2 | H3 | 60.3° | 64.5° |
| C5 | N | C2 | H4 | 179.8° | 175.1° |
| N1 | S | O1 | O2 | 122.2° | 123.0° |
| N1 | S | O1 | C6 | 115.6° | 114.1° |
| N1 | S | O2 | C6 | 115.9° | 114.1° |
| N1 | S | C6 | C7 | 89.0° | 90.0° |
| N1 | S | C6 | S1 | 90.5° | 89.7° |
| S | N1 | C4 | H7 | 44.2° | 5.4° |
| S | N1 | C4 | H8 | 75.8° | 115.1° |
| S | N1 | C3 | H5 | 42.8° | 115.2° |
| S | N1 | C3 | H6 | 77.3° | 5.3° |
| O1 | S | O2 | C6 | 121.9° | 122.9° |
| O1 | S | C6 | C7 | 26.0° | 23.5° |
| O1 | S | C6 | S1 | 154.4° | 156.8° |
| O2 | S | C6 | C7 | 155.6° | 156.4° |
| O2 | S | C6 | S1 | 24.9° | 23.9° |
| S | C6 | C7 | S1 | 179.6° | 179.8° |
| S | C6 | C7 | C8 | 178.8° | 179.7° |
| S | C6 | S1 | C9 | 175.5° | 179.7° |
| S | C6 | C7 | H11 | 1.3° | 0.2° |
| C6 | C7 | C8 | H11 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 3.6° | 0.0° |
| C7 | C6 | S1 | C9 | 4.9° | 0.0° |
| C6 | C7 | C8 | H12 | 176.4° | 179.9° |
| C7 | C8 | C9 | H12 | 180.0° | 180.0° |
| C7 | C8 | C9 | S1 | 7.3° | 0.0° |
| C8 | C7 | C6 | S1 | 1.7° | 0.0° |
| C7 | C8 | C9 | H13 | 172.7° | 180.0° |
| C8 | C9 | S1 | H13 | 180.0° | 180.0° |
| C8 | C9 | S1 | C6 | 6.9° | 0.0° |
| C9 | C8 | C7 | H11 | 176.4° | 179.9° |
| S1 | C9 | C8 | H12 | 172.7° | 180.0° |
| S1 | C6 | C7 | H11 | 178.3° | 179.9° |
| C6 | S1 | C9 | H13 | 173.0° | 180.0° |
| H7 | C4 | C5 | H9 | 55.7° | 49.4° |
| H7 | C4 | C5 | H10 | 64.0° | 71.2° |
| H8 | C4 | C5 | H9 | 175.7° | 170.0° |
| H8 | C4 | C5 | H10 | 56.0° | 49.4° |
| H11 | C7 | C8 | H12 | 3.6° | 0.0° |
| H12 | C8 | C9 | H13 | 7.3° | 0.0° |
| H | C | H2 | H1 | 120.0° | 119.9° |
| H3 | C2 | C3 | H5 | 57.8° | 170.0° |
| H3 | C2 | C3 | H6 | 177.9° | 49.5° |
| H4 | C2 | C3 | H5 | 62.1° | 49.5° |
| H4 | C2 | C3 | H6 | 58.0° | 71.0° |
