T2C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C03 | sing | 1.56Å | 1.54Å | |
| C02 | N01 | sing | 1.47Å | 1.47Å | |
| S01 | C03 | sing | 1.84Å | 1.83Å | |
| S01 | C01 | sing | 1.84Å | 1.81Å | |
| O02 | C04 | doub | 1.21Å | 1.26Å | |
| C04 | O01 | sing | 1.34Å | 1.26Å | |
| C04 | C01 | sing | 1.51Å | 1.54Å | |
| N01 | C01 | sing | 1.47Å | 1.46Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| N01 | H6 | sing | 1.01Å | 1.00Å | |
| O01 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | N01 | 110.5° | 109.4° |
| C02 | C03 | S01 | 99.9° | 99.8° |
| C03 | C02 | H2 | 109.2° | 109.5° |
| C03 | C02 | H3 | 109.2° | 109.4° |
| C02 | C03 | H4 | 111.8° | 111.4° |
| C02 | C03 | H5 | 111.8° | 111.3° |
| C02 | N01 | C01 | 110.9° | 114.9° |
| N01 | C02 | H2 | 109.2° | 109.5° |
| N01 | C02 | H3 | 109.2° | 109.6° |
| C02 | N01 | H6 | 109.1° | 111.0° |
| C03 | S01 | C01 | 90.3° | 94.9° |
| S01 | C03 | H4 | 111.8° | 111.3° |
| S01 | C03 | H5 | 111.8° | 111.4° |
| S01 | C01 | C04 | 107.8° | 110.3° |
| S01 | C01 | N01 | 107.9° | 105.1° |
| S01 | C01 | H1 | 107.8° | 110.3° |
| O02 | C04 | O01 | 119.9° | 120.0° |
| O02 | C04 | C01 | 119.9° | 120.0° |
| O01 | C04 | C01 | 120.2° | 120.0° |
| C04 | O01 | H8 | 109.5° | 116.9° |
| C04 | C01 | N01 | 109.9° | 110.4° |
| C04 | C01 | H1 | 111.1° | 110.3° |
| N01 | C01 | H1 | 112.2° | 110.3° |
| C01 | N01 | H6 | 109.1° | 111.0° |
| H2 | C02 | H3 | 109.4° | 109.4° |
| H4 | C03 | H5 | 109.5° | 111.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | N01 | H2 | 120.2° | 120.0° |
| C03 | C02 | N01 | H3 | 120.2° | 120.0° |
| C02 | C03 | S01 | H4 | 118.4° | 117.7° |
| C02 | C03 | S01 | H5 | 118.4° | 117.7° |
| C02 | C03 | S01 | C01 | 40.7° | 33.3° |
| C03 | C02 | N01 | C01 | 19.5° | 30.6° |
| C03 | C02 | H2 | H3 | 119.5° | 119.9° |
| C02 | C03 | H4 | H5 | 124.5° | 124.8° |
| C03 | C02 | N01 | H6 | 139.7° | 157.5° |
| N01 | C02 | C03 | S01 | 41.0° | 40.4° |
| C02 | N01 | C01 | S01 | 12.7° | 3.9° |
| C02 | N01 | C01 | C04 | 130.0° | 114.9° |
| C02 | N01 | C01 | H6 | 120.2° | 126.9° |
| C02 | N01 | C01 | H1 | 105.9° | 122.9° |
| N01 | C02 | H2 | H3 | 119.5° | 120.1° |
| N01 | C02 | C03 | H4 | 77.4° | 77.2° |
| N01 | C02 | C03 | H5 | 159.5° | 158.1° |
| C03 | S01 | C01 | C04 | 151.3° | 137.6° |
| C03 | S01 | C01 | N01 | 32.7° | 18.6° |
| C03 | S01 | C01 | H1 | 88.7° | 100.3° |
| S01 | C03 | C02 | H2 | 79.1° | 79.6° |
| S01 | C03 | C02 | H3 | 161.2° | 160.4° |
| S01 | C03 | H4 | H5 | 124.5° | 124.8° |
| S01 | C01 | C04 | O02 | 108.9° | 132.9° |
| S01 | C01 | C04 | O01 | 70.6° | 47.2° |
| S01 | C01 | C04 | N01 | 117.3° | 115.6° |
| S01 | C01 | C04 | H1 | 117.9° | 122.2° |
| S01 | C01 | N01 | H1 | 118.6° | 118.9° |
| C01 | S01 | C03 | H4 | 77.7° | 84.4° |
| C01 | S01 | C03 | H5 | 159.2° | 150.9° |
| S01 | C01 | N01 | H6 | 107.5° | 130.8° |
| O02 | C04 | O01 | C01 | 179.5° | 179.9° |
| O02 | C04 | C01 | N01 | 8.5° | 111.5° |
| O02 | C04 | C01 | H1 | 133.3° | 10.7° |
| O02 | C04 | O01 | H8 | 0.0° | 0.0° |
| O01 | C04 | C01 | N01 | 172.1° | 68.5° |
| O01 | C04 | C01 | H1 | 47.3° | 169.4° |
| C04 | C01 | N01 | H1 | 124.1° | 122.2° |
| C04 | C01 | N01 | H6 | 9.7° | 11.9° |
| C01 | C04 | O01 | H8 | 179.4° | 180.0° |
| C01 | N01 | C02 | H2 | 100.7° | 89.4° |
| C01 | N01 | C02 | H3 | 139.7° | 150.6° |
| H1 | C01 | N01 | H6 | 133.9° | 110.2° |
| H2 | C02 | C03 | H4 | 162.5° | 162.8° |
| H2 | C02 | C03 | H5 | 39.3° | 38.1° |
| H2 | C02 | N01 | H6 | 19.6° | 37.5° |
| H3 | C02 | C03 | H4 | 42.8° | 42.8° |
| H3 | C02 | C03 | H5 | 80.4° | 81.8° |
| H3 | C02 | N01 | H6 | 100.1° | 82.5° |
