8TW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C11 | sing | 1.80Å | 1.74Å | |
| S05 | C04 | doub | 1.56Å | 1.51Å | |
| S05 | C06 | sing | 1.82Å | 1.79Å | |
| C04 | C03 | sing | 1.50Å | 1.50Å | |
| O01 | C02 | doub | 1.21Å | 1.26Å | |
| C11 | C06 | sing | 1.54Å | 1.52Å | |
| C11 | CL3 | sing | 1.80Å | 1.74Å | |
| C11 | C08 | sing | 1.54Å | 1.57Å | |
| C06 | C07 | sing | 1.55Å | 1.57Å | |
| O09 | C08 | sing | 1.43Å | 1.41Å | |
| C03 | C02 | sing | 1.51Å | 1.50Å | |
| C03 | C07 | sing | 1.53Å | 1.66Å | |
| C02 | O14 | sing | 1.34Å | 1.27Å | |
| C08 | C07 | sing | 1.54Å | 1.51Å | |
| C08 | O10 | sing | 1.43Å | 1.41Å | |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| O09 | H5 | sing | 0.97Å | 0.95Å | |
| O10 | H6 | sing | 0.97Å | 0.95Å | |
| O14 | H7 | sing | 0.97Å | 0.95Å | |
| S05 | H8 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C11 | C06 | 114.2° | 113.6° |
| CL2 | C11 | CL3 | 108.2° | 112.8° |
| CL2 | C11 | C08 | 114.4° | 113.7° |
| C04 | S05 | C06 | 105.7° | 100.3° |
| S05 | C04 | C03 | 110.9° | 110.9° |
| S05 | C04 | H2 | 124.5° | 124.6° |
| C04 | S05 | H8 | 110.4° | 103.0° |
| S05 | C06 | C11 | 128.1° | 113.3° |
| S05 | C06 | C07 | 105.7° | 102.9° |
| S05 | C06 | H3 | 108.2° | 115.5° |
| C06 | S05 | H8 | 110.4° | 103.0° |
| C04 | C03 | C02 | 118.3° | 108.8° |
| C04 | C03 | C07 | 112.1° | 112.6° |
| C04 | C03 | H1 | 100.9° | 108.8° |
| C03 | C04 | H2 | 124.6° | 124.6° |
| O01 | C02 | C03 | 118.3° | 120.0° |
| O01 | C02 | O14 | 121.0° | 120.0° |
| C06 | C11 | CL3 | 113.1° | 113.5° |
| C06 | C11 | C08 | 89.7° | 87.4° |
| C11 | C06 | C07 | 90.0° | 87.0° |
| C11 | C06 | H3 | 111.5° | 116.9° |
| CL3 | C11 | C08 | 116.5° | 113.5° |
| C11 | C08 | O09 | 113.4° | 113.6° |
| C11 | C08 | C07 | 89.8° | 87.5° |
| C11 | C08 | O10 | 115.0° | 113.6° |
| C06 | C07 | C03 | 104.8° | 106.4° |
| C06 | C07 | C08 | 90.1° | 87.0° |
| C07 | C06 | H3 | 110.9° | 117.2° |
| C06 | C07 | H4 | 108.8° | 115.7° |
| O09 | C08 | C07 | 112.6° | 113.5° |
| O09 | C08 | O10 | 112.1° | 112.8° |
| C08 | O09 | H5 | 109.5° | 114.0° |
| C02 | C03 | C07 | 119.7° | 108.8° |
| C03 | C02 | O14 | 120.7° | 120.0° |
| C02 | C03 | H1 | 100.9° | 108.8° |
| C03 | C07 | C08 | 132.5° | 114.2° |
| C07 | C03 | H1 | 99.8° | 108.9° |
| C03 | C07 | H4 | 107.7° | 114.5° |
| C02 | O14 | H7 | 109.5° | 117.0° |
| C07 | C08 | O10 | 112.1° | 113.6° |
| C08 | C07 | H4 | 109.5° | 115.8° |
| C08 | O10 | H6 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C11 | C06 | S05 | 2.0° | 36.8° |
| CL2 | C11 | C06 | CL3 | 124.4° | 130.7° |
| CL2 | C11 | C06 | C08 | 116.8° | 114.7° |
| CL2 | C11 | CL3 | C08 | 130.5° | 131.2° |
| CL2 | C11 | C06 | C07 | 112.1° | 139.5° |
| CL2 | C11 | C08 | O09 | 2.9° | 25.0° |
| CL2 | C11 | C08 | C07 | 111.8° | 139.7° |
| CL2 | C11 | C08 | O10 | 133.7° | 105.7° |
| CL2 | C11 | C06 | H3 | 135.4° | 101.3° |
| C04 | S05 | C06 | H8 | 119.4° | 106.1° |
| S05 | C04 | C03 | H2 | 180.0° | 179.9° |
| C04 | S05 | C06 | C11 | 97.4° | 114.1° |
| C04 | S05 | C06 | C07 | 5.3° | 21.8° |
| S05 | C04 | C03 | C02 | 154.7° | 127.2° |
| S05 | C04 | C03 | C07 | 8.9° | 6.4° |
| S05 | C04 | C03 | H1 | 96.5° | 114.4° |
| C04 | S05 | C06 | H3 | 124.1° | 107.2° |
| C06 | S05 | C04 | C03 | 8.5° | 9.5° |
| S05 | C06 | C11 | C07 | 110.1° | 102.8° |
| S05 | C06 | C11 | H3 | 137.4° | 138.1° |
| S05 | C06 | C11 | CL3 | 126.4° | 167.4° |
| S05 | C06 | C11 | C08 | 114.8° | 78.0° |
| S05 | C06 | C07 | H3 | 117.0° | 127.9° |
| S05 | C06 | C07 | C03 | 0.3° | 25.9° |
| S05 | C06 | C07 | C08 | 134.7° | 88.4° |
| C06 | S05 | C04 | H2 | 171.5° | 170.4° |
| S05 | C06 | C07 | H4 | 114.6° | 154.3° |
| C04 | C03 | C02 | O01 | 5.6° | 123.1° |
| C04 | C03 | C07 | C06 | 5.0° | 22.3° |
| C04 | C03 | C02 | C07 | 143.1° | 123.1° |
| C04 | C03 | C02 | H1 | 108.8° | 118.4° |
| C04 | C03 | C07 | H1 | 106.1° | 120.8° |
| C04 | C03 | C02 | O14 | 173.9° | 56.6° |
| C04 | C03 | C07 | C08 | 99.2° | 71.9° |
| C04 | C03 | C07 | H4 | 120.7° | 151.4° |
| C03 | C04 | S05 | H8 | 127.9° | 96.6° |
| O01 | C02 | C03 | O14 | 179.6° | 179.8° |
| O01 | C02 | C03 | C07 | 137.5° | 0.0° |
| O01 | C02 | C03 | H1 | 114.4° | 118.5° |
| O01 | C02 | O14 | H7 | 0.0° | 0.0° |
| C06 | C11 | CL3 | C08 | 101.9° | 97.8° |
| C11 | C06 | C07 | H3 | 113.1° | 118.9° |
| C06 | C11 | C08 | O09 | 119.5° | 89.6° |
| C11 | C06 | C07 | C03 | 129.6° | 139.2° |
| C06 | C11 | C08 | C07 | 4.8° | 25.0° |
| C06 | C11 | C08 | O10 | 109.6° | 139.7° |
| C11 | C06 | C07 | H4 | 115.5° | 92.5° |
| C11 | C06 | S05 | H8 | 21.9° | 8.1° |
| CL3 | C11 | C06 | C07 | 123.5° | 89.8° |
| CL3 | C11 | C08 | O09 | 124.6° | 155.7° |
| CL3 | C11 | C08 | C07 | 120.7° | 89.6° |
| CL3 | C11 | C08 | O10 | 6.2° | 25.1° |
| CL3 | C11 | C06 | H3 | 11.0° | 29.4° |
| C11 | C08 | O09 | C07 | 100.2° | 97.9° |
| C11 | C08 | O09 | O10 | 132.2° | 131.1° |
| C11 | C08 | C07 | C03 | 105.7° | 131.4° |
| C11 | C08 | C07 | O10 | 117.0° | 114.7° |
| C08 | C11 | C06 | H3 | 107.8° | 144.0° |
| C11 | C08 | C07 | H4 | 114.7° | 92.4° |
| C11 | C08 | O09 | H5 | 180.0° | 82.1° |
| C11 | C08 | O10 | H6 | 180.0° | 82.1° |
| C06 | C07 | C08 | O09 | 120.1° | 89.9° |
| C06 | C07 | C03 | C02 | 150.2° | 143.0° |
| C06 | C07 | C03 | C08 | 104.2° | 94.1° |
| C06 | C07 | C03 | H4 | 115.7° | 129.1° |
| C06 | C07 | C08 | H4 | 110.0° | 117.2° |
| C06 | C07 | C08 | O10 | 112.3° | 139.5° |
| C06 | C07 | C03 | H1 | 101.1° | 98.5° |
| C07 | C06 | S05 | H8 | 124.7° | 84.3° |
| O09 | C08 | C07 | C03 | 9.6° | 16.7° |
| O09 | C08 | C07 | O10 | 127.6° | 130.6° |
| O09 | C08 | C07 | H4 | 129.9° | 152.9° |
| O09 | C08 | O10 | H6 | 48.6° | 49.0° |
| C02 | C03 | C07 | H1 | 108.6° | 118.5° |
| C02 | C03 | C07 | C08 | 46.0° | 48.9° |
| C02 | C03 | C04 | H2 | 25.3° | 52.9° |
| C02 | C03 | C07 | H4 | 94.0° | 87.9° |
| C03 | C02 | O14 | H7 | 179.5° | 179.8° |
| C07 | C03 | C02 | O14 | 42.9° | 179.7° |
| C03 | C07 | C08 | H4 | 139.5° | 136.2° |
| C03 | C07 | C08 | O10 | 137.2° | 113.9° |
| C07 | C03 | C04 | H2 | 171.1° | 173.6° |
| C03 | C07 | C06 | H3 | 117.3° | 101.9° |
| O14 | C02 | C03 | H1 | 65.1° | 61.8° |
| C08 | C07 | C03 | H1 | 154.7° | 167.4° |
| C08 | C07 | C06 | H3 | 108.3° | 143.7° |
| C07 | C08 | O09 | H5 | 79.8° | 179.9° |
| C07 | C08 | O10 | H6 | 79.3° | 179.9° |
| O10 | C08 | C07 | H4 | 2.3° | 22.3° |
| O10 | C08 | O09 | H5 | 47.8° | 48.9° |
| H1 | C03 | C04 | H2 | 83.5° | 65.6° |
| H1 | C03 | C07 | H4 | 14.6° | 30.6° |
| H2 | C04 | S05 | H8 | 52.1° | 83.5° |
| H3 | C06 | C07 | H4 | 2.4° | 26.4° |
| H3 | C06 | S05 | H8 | 116.5° | 146.8° |
