TE0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.51Å | |
| C1 | S | sing | 1.81Å | 1.78Å | |
| C2 | N | sing | 1.47Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| O1 | S | doub | 1.42Å | 1.43Å | |
| S | N | sing | 1.66Å | 1.64Å | |
| S | O | doub | 1.42Å | 1.43Å | |
| N | C6 | sing | 1.47Å | 1.48Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C7 | sing | 1.51Å | 1.50Å | |
| C7 | O2 | doub | 1.21Å | 1.21Å | |
| C7 | O3 | sing | 1.34Å | 1.29Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| O3 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | S | 112.3° | 109.5° |
| C1 | C | H6 | 109.5° | 109.4° |
| C1 | C | H7 | 109.5° | 109.5° |
| C1 | C | H8 | 109.5° | 109.4° |
| C | C1 | H9 | 108.7° | 109.5° |
| C | C1 | H10 | 108.8° | 109.5° |
| C1 | S | O1 | 108.5° | 110.6° |
| C1 | S | N | 105.8° | 104.4° |
| C1 | S | O | 108.9° | 110.5° |
| S | C1 | H9 | 108.8° | 109.4° |
| S | C1 | H10 | 108.7° | 109.4° |
| N | C2 | C3 | 109.2° | 108.8° |
| C2 | N | S | 120.3° | 120.6° |
| C2 | N | C6 | 112.2° | 118.7° |
| N | C2 | H11 | 109.5° | 109.6° |
| N | C2 | H12 | 109.5° | 109.6° |
| C2 | C3 | C4 | 110.7° | 109.3° |
| C3 | C2 | H11 | 109.5° | 109.6° |
| C3 | C2 | H12 | 109.6° | 109.6° |
| C2 | C3 | H13 | 109.2° | 109.5° |
| C2 | C3 | H14 | 109.2° | 109.5° |
| O1 | S | N | 107.1° | 104.3° |
| O1 | S | O | 118.7° | 121.0° |
| N | S | O | 107.1° | 104.3° |
| S | N | C6 | 119.3° | 120.7° |
| N | C6 | C5 | 110.4° | 108.8° |
| N | C6 | H4 | 109.3° | 109.5° |
| N | C6 | H5 | 109.2° | 109.7° |
| C6 | C5 | C4 | 109.8° | 109.3° |
| C6 | C5 | H2 | 109.4° | 109.5° |
| C6 | C5 | H3 | 109.4° | 109.5° |
| C5 | C6 | H4 | 109.2° | 109.6° |
| C5 | C6 | H5 | 109.2° | 109.6° |
| C5 | C4 | C3 | 109.6° | 109.6° |
| C5 | C4 | C7 | 111.4° | 109.5° |
| C5 | C4 | H1 | 108.2° | 109.5° |
| C4 | C5 | H2 | 109.4° | 109.5° |
| C4 | C5 | H3 | 109.4° | 109.5° |
| C3 | C4 | C7 | 110.6° | 109.5° |
| C3 | C4 | H1 | 108.2° | 109.4° |
| C4 | C3 | H13 | 109.2° | 109.5° |
| C4 | C3 | H14 | 109.2° | 109.5° |
| C4 | C7 | O2 | 123.5° | 120.0° |
| C4 | C7 | O3 | 112.1° | 120.0° |
| C7 | C4 | H1 | 108.6° | 109.4° |
| O2 | C7 | O3 | 124.4° | 120.0° |
| C7 | O3 | H15 | 109.5° | 117.0° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.6° |
| H6 | C | H7 | 109.4° | 109.5° |
| H6 | C | H8 | 109.5° | 109.4° |
| H7 | C | H8 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H11 | C2 | H12 | 109.5° | 109.7° |
| H13 | C3 | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | S | H9 | 120.4° | 120.0° |
| C | C1 | S | H10 | 120.4° | 120.0° |
| C | C1 | S | O1 | 55.5° | 68.3° |
| C | C1 | S | N | 170.2° | 180.0° |
| C | C1 | S | O | 75.1° | 68.4° |
| C1 | C | H6 | H7 | 120.0° | 120.1° |
| C1 | C | H6 | H8 | 120.0° | 119.9° |
| C1 | C | H7 | H8 | 120.0° | 120.0° |
| C | C1 | H9 | H10 | 118.7° | 120.1° |
| C1 | S | N | C2 | 90.0° | 90.0° |
| C1 | S | O1 | N | 113.8° | 111.7° |
| C1 | S | O1 | O | 124.9° | 131.5° |
| C1 | S | N | O | 116.0° | 116.1° |
| C1 | S | N | C6 | 56.0° | 90.0° |
| S | C1 | C | H6 | 180.0° | 179.9° |
| S | C1 | C | H7 | 60.0° | 60.0° |
| S | C1 | C | H8 | 60.0° | 60.1° |
| S | C1 | H9 | H10 | 118.7° | 119.9° |
| N | C2 | C3 | H11 | 119.9° | 119.8° |
| N | C2 | C3 | H12 | 119.9° | 119.8° |
| C2 | N | S | O1 | 25.6° | 26.1° |
| C2 | N | S | C6 | 146.1° | 180.0° |
| C2 | N | S | O | 154.0° | 153.9° |
| C2 | N | C6 | C5 | 30.3° | 53.6° |
| N | C2 | C3 | C4 | 36.4° | 54.6° |
| C2 | N | C6 | H4 | 89.8° | 66.2° |
| C2 | N | C6 | H5 | 150.4° | 173.5° |
| N | C2 | H11 | H12 | 120.1° | 120.4° |
| N | C2 | C3 | H13 | 83.8° | 65.3° |
| N | C2 | C3 | H14 | 156.6° | 174.6° |
| C3 | C2 | N | S | 142.0° | 126.4° |
| C3 | C2 | N | C6 | 69.7° | 53.6° |
| C2 | C3 | C4 | C5 | 26.9° | 61.3° |
| C2 | C3 | C4 | H13 | 120.2° | 119.9° |
| C2 | C3 | C4 | H14 | 120.2° | 120.0° |
| C2 | C3 | C4 | C7 | 150.2° | 178.6° |
| C2 | C3 | C4 | H1 | 91.0° | 58.7° |
| C3 | C2 | H11 | H12 | 120.2° | 120.3° |
| C2 | C3 | H13 | H14 | 119.4° | 120.1° |
| O1 | S | N | O | 128.4° | 127.9° |
| O1 | S | N | C6 | 171.7° | 153.9° |
| O1 | S | C1 | H9 | 64.9° | 51.7° |
| O1 | S | C1 | H10 | 175.9° | 171.6° |
| S | N | C6 | C5 | 178.9° | 126.4° |
| S | N | C6 | H4 | 58.8° | 113.8° |
| S | N | C6 | H5 | 60.9° | 6.5° |
| N | S | C1 | H9 | 49.7° | 60.0° |
| N | S | C1 | H10 | 69.4° | 60.0° |
| S | N | C2 | H11 | 22.1° | 113.8° |
| S | N | C2 | H12 | 98.0° | 6.7° |
| O | S | N | C6 | 60.0° | 26.1° |
| O | S | C1 | H9 | 164.5° | 171.6° |
| O | S | C1 | H10 | 45.4° | 51.6° |
| N | C6 | C5 | H4 | 120.2° | 119.7° |
| N | C6 | C5 | H5 | 120.1° | 120.0° |
| N | C6 | C5 | C4 | 35.0° | 54.6° |
| N | C6 | C5 | H2 | 85.1° | 174.6° |
| N | C6 | C5 | H3 | 155.1° | 65.3° |
| N | C6 | H4 | H5 | 119.6° | 120.4° |
| C6 | N | C2 | H11 | 170.3° | 66.2° |
| C6 | N | C2 | H12 | 50.3° | 173.3° |
| C6 | C5 | C4 | H2 | 120.1° | 120.0° |
| C6 | C5 | C4 | H3 | 120.0° | 119.9° |
| C6 | C5 | C4 | C3 | 65.5° | 61.3° |
| C6 | C5 | C4 | C7 | 171.7° | 178.7° |
| C6 | C5 | C4 | H1 | 52.4° | 58.7° |
| C6 | C5 | H2 | H3 | 119.8° | 120.1° |
| C5 | C6 | H4 | H5 | 119.6° | 120.3° |
| C5 | C4 | C3 | C7 | 123.3° | 120.1° |
| C5 | C4 | C3 | H1 | 117.9° | 120.0° |
| C5 | C4 | C7 | H1 | 119.1° | 120.0° |
| C5 | C4 | C7 | O2 | 27.7° | 0.1° |
| C5 | C4 | C7 | O3 | 152.7° | 179.9° |
| C4 | C5 | H2 | H3 | 119.8° | 120.0° |
| C4 | C5 | C6 | H4 | 155.2° | 65.2° |
| C4 | C5 | C6 | H5 | 85.1° | 174.6° |
| C5 | C4 | C3 | H13 | 147.1° | 58.6° |
| C5 | C4 | C3 | H14 | 93.3° | 178.7° |
| C3 | C4 | C7 | H1 | 118.6° | 119.9° |
| C3 | C4 | C7 | O2 | 149.9° | 120.0° |
| C3 | C4 | C7 | O3 | 30.5° | 60.0° |
| C3 | C4 | C5 | H2 | 54.6° | 178.7° |
| C3 | C4 | C5 | H3 | 174.5° | 58.6° |
| C4 | C3 | C2 | H11 | 156.4° | 65.2° |
| C4 | C3 | C2 | H12 | 83.5° | 174.4° |
| C4 | C3 | H13 | H14 | 119.5° | 120.1° |
| C4 | C7 | O2 | O3 | 179.6° | 180.0° |
| C7 | C4 | C5 | H2 | 68.2° | 58.7° |
| C7 | C4 | C5 | H3 | 51.7° | 61.4° |
| C7 | C4 | C3 | H13 | 89.6° | 61.5° |
| C7 | C4 | C3 | H14 | 30.0° | 58.6° |
| C4 | C7 | O3 | H15 | 179.6° | 179.9° |
| O2 | C7 | C4 | H1 | 91.5° | 120.1° |
| O2 | C7 | O3 | H15 | 0.0° | 0.1° |
| O3 | C7 | C4 | H1 | 88.2° | 59.9° |
| H1 | C4 | C5 | H2 | 172.5° | 61.3° |
| H1 | C4 | C5 | H3 | 67.6° | 178.6° |
| H1 | C4 | C3 | H13 | 29.2° | 178.6° |
| H1 | C4 | C3 | H14 | 148.9° | 61.3° |
| H2 | C5 | C6 | H4 | 35.1° | 54.8° |
| H2 | C5 | C6 | H5 | 154.8° | 65.4° |
| H3 | C5 | C6 | H4 | 84.8° | 174.9° |
| H3 | C5 | C6 | H5 | 34.9° | 54.7° |
| H6 | C | H7 | H8 | 120.0° | 120.0° |
| H6 | C | C1 | H9 | 59.6° | 60.1° |
| H6 | C | C1 | H10 | 59.6° | 59.9° |
| H7 | C | C1 | H9 | 60.4° | 60.0° |
| H7 | C | C1 | H10 | 179.6° | 180.0° |
| H8 | C | C1 | H9 | 179.6° | 180.0° |
| H8 | C | C1 | H10 | 60.4° | 59.9° |
| H11 | C2 | C3 | H13 | 36.2° | 174.9° |
| H11 | C2 | C3 | H14 | 83.4° | 54.8° |
| H12 | C2 | C3 | H13 | 156.3° | 54.5° |
| H12 | C2 | C3 | H14 | 36.7° | 65.6° |
