SW9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | S | sing | 1.82Å | 1.77Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| O1 | S | doub | 1.42Å | 1.44Å | |
| S | O | doub | 1.42Å | 1.44Å | |
| S | C8 | sing | 1.82Å | 1.77Å | |
| C4 | N | sing | 1.46Å | 1.47Å | |
| C5 | N | sing | 1.46Å | 1.48Å | |
| C5 | C9 | sing | 1.53Å | 1.53Å | |
| N | C3 | sing | 1.38Å | 1.47Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | doub | 1.31Å | 1.47Å | |
| C2 | C1 | doub | 1.31Å | 1.20Å | |
| C1 | C | sing | 1.51Å | 1.46Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | S | 112.9° | 109.0° |
| C7 | C6 | C5 | 113.9° | 110.0° |
| C7 | C6 | H5 | 108.4° | 109.4° |
| C7 | C6 | H6 | 108.3° | 109.3° |
| C6 | C7 | H7 | 108.6° | 109.5° |
| C6 | C7 | H8 | 108.6° | 109.6° |
| C7 | S | O1 | 109.2° | 108.7° |
| C7 | S | O | 109.1° | 108.7° |
| C7 | S | C8 | 101.3° | 101.3° |
| S | C7 | H7 | 108.6° | 109.6° |
| S | C7 | H8 | 108.6° | 109.5° |
| C6 | C5 | N | 111.6° | 109.3° |
| C6 | C5 | C9 | 110.9° | 110.6° |
| C6 | C5 | H4 | 105.8° | 109.2° |
| C5 | C6 | H5 | 108.3° | 109.4° |
| C5 | C6 | H6 | 108.4° | 109.4° |
| O1 | S | O | 117.8° | 119.3° |
| O1 | S | C8 | 109.1° | 108.7° |
| O | S | C8 | 109.0° | 108.7° |
| S | C8 | C9 | 112.9° | 109.0° |
| S | C8 | H9 | 108.6° | 109.6° |
| S | C8 | H10 | 108.6° | 109.7° |
| C4 | N | C5 | 113.5° | 120.0° |
| C4 | N | C3 | 110.8° | 120.0° |
| N | C4 | H1 | 109.5° | 109.5° |
| N | C4 | H2 | 109.5° | 109.5° |
| N | C4 | H3 | 109.5° | 109.5° |
| N | C5 | C9 | 115.7° | 109.2° |
| C5 | N | C3 | 118.4° | 120.0° |
| N | C5 | H4 | 106.3° | 109.2° |
| C5 | C9 | C8 | 114.5° | 110.0° |
| C9 | C5 | H4 | 105.8° | 109.2° |
| C5 | C9 | H16 | 108.2° | 109.4° |
| C5 | C9 | H17 | 108.2° | 109.4° |
| N | C3 | C2 | 115.4° | 120.0° |
| N | C3 | H15 | 122.3° | 120.0° |
| C9 | C8 | H9 | 108.6° | 109.5° |
| C9 | C8 | H10 | 108.6° | 109.5° |
| C8 | C9 | H16 | 108.2° | 109.4° |
| C8 | C9 | H17 | 108.2° | 109.3° |
| C3 | C2 | C1 | 175.8° | 180.0° |
| C2 | C3 | H15 | 122.3° | 120.0° |
| C2 | C1 | C | 152.8° | 120.0° |
| C2 | C1 | H14 | 103.6° | 120.0° |
| C1 | C | H11 | 109.5° | 109.4° |
| C1 | C | H12 | 109.5° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C | C1 | H14 | 103.6° | 120.0° |
| H1 | C4 | H2 | 109.5° | 109.4° |
| H1 | C4 | H3 | 109.5° | 109.5° |
| H2 | C4 | H3 | 109.4° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.4° |
| H7 | C7 | H8 | 109.5° | 109.6° |
| H9 | C8 | H10 | 109.5° | 109.6° |
| H11 | C | H12 | 109.5° | 109.5° |
| H11 | C | H13 | 109.5° | 109.4° |
| H12 | C | H13 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | S | H7 | 120.5° | 119.8° |
| C6 | C7 | S | H8 | 120.5° | 119.9° |
| C7 | C6 | C5 | H5 | 120.7° | 120.1° |
| C7 | C6 | C5 | H6 | 120.7° | 120.0° |
| C6 | C7 | S | O1 | 137.1° | 60.0° |
| C6 | C7 | S | O | 92.8° | 168.7° |
| C6 | C7 | S | C8 | 22.1° | 54.3° |
| C7 | C6 | C5 | N | 159.6° | 169.7° |
| C7 | C6 | C5 | C9 | 69.8° | 70.0° |
| C7 | C6 | C5 | H4 | 44.4° | 50.2° |
| C7 | C6 | H5 | H6 | 118.0° | 119.7° |
| C6 | C7 | H7 | H8 | 118.4° | 120.3° |
| S | C7 | C6 | C5 | 37.3° | 63.7° |
| C7 | S | O1 | O | 125.2° | 125.3° |
| C7 | S | O1 | C8 | 109.9° | 109.4° |
| C7 | S | O | C8 | 109.8° | 109.5° |
| C7 | S | C8 | C9 | 59.8° | 54.3° |
| S | C7 | C6 | H5 | 157.9° | 56.5° |
| S | C7 | C6 | H6 | 83.4° | 176.2° |
| S | C7 | H7 | H8 | 118.4° | 120.2° |
| C7 | S | C8 | H9 | 60.7° | 65.5° |
| C7 | S | C8 | H10 | 179.7° | 174.2° |
| C6 | C5 | N | C4 | 82.4° | 118.9° |
| C6 | C5 | N | C9 | 128.0° | 121.2° |
| C6 | C5 | N | H4 | 114.9° | 119.5° |
| C6 | C5 | C9 | H4 | 114.3° | 120.3° |
| C6 | C5 | N | C3 | 145.2° | 61.2° |
| C6 | C5 | C9 | C8 | 28.3° | 70.0° |
| C5 | C6 | H5 | H6 | 118.0° | 119.8° |
| C5 | C6 | C7 | H7 | 157.8° | 176.5° |
| C5 | C6 | C7 | H8 | 83.2° | 56.2° |
| C6 | C5 | C9 | H16 | 149.1° | 169.9° |
| C6 | C5 | C9 | H17 | 92.4° | 50.2° |
| O1 | S | O | C8 | 125.0° | 125.3° |
| O1 | S | C8 | C9 | 174.9° | 60.1° |
| O1 | S | C7 | H7 | 16.6° | 59.8° |
| O1 | S | C7 | H8 | 102.3° | 179.9° |
| O1 | S | C8 | H9 | 54.4° | 179.9° |
| O1 | S | C8 | H10 | 64.6° | 59.8° |
| O | S | C8 | C9 | 55.1° | 168.7° |
| O | S | C7 | H7 | 146.7° | 71.4° |
| O | S | C7 | H8 | 27.7° | 48.8° |
| O | S | C8 | H9 | 175.6° | 48.9° |
| O | S | C8 | H10 | 65.4° | 71.5° |
| S | C8 | C9 | C5 | 35.8° | 63.6° |
| S | C8 | C9 | H9 | 120.5° | 119.9° |
| S | C8 | C9 | H10 | 120.5° | 120.0° |
| C8 | S | C7 | H7 | 98.4° | 174.2° |
| C8 | S | C7 | H8 | 142.6° | 65.6° |
| S | C8 | H9 | H10 | 118.4° | 120.4° |
| S | C8 | C9 | H16 | 85.0° | 176.2° |
| S | C8 | C9 | H17 | 156.5° | 56.5° |
| C4 | N | C5 | C3 | 132.4° | 180.0° |
| C4 | N | C5 | C9 | 149.6° | 120.0° |
| C4 | N | C3 | C2 | 70.4° | 0.0° |
| N | C4 | H1 | H2 | 120.0° | 120.0° |
| N | C4 | H1 | H3 | 120.0° | 120.0° |
| N | C4 | H2 | H3 | 120.0° | 120.1° |
| C4 | N | C5 | H4 | 32.5° | 0.6° |
| C4 | N | C3 | H15 | 109.6° | 180.0° |
| N | C5 | C9 | H4 | 117.3° | 119.4° |
| N | C5 | C9 | C8 | 156.7° | 169.7° |
| C5 | N | C3 | C2 | 63.2° | 180.0° |
| C5 | N | C4 | H1 | 180.0° | 90.0° |
| C5 | N | C4 | H2 | 60.0° | 150.0° |
| C5 | N | C4 | H3 | 60.0° | 30.0° |
| N | C5 | C6 | H5 | 39.0° | 70.2° |
| N | C5 | C6 | H6 | 79.7° | 49.7° |
| C5 | N | C3 | H15 | 116.8° | 0.0° |
| N | C5 | C9 | H16 | 82.5° | 49.5° |
| N | C5 | C9 | H17 | 36.0° | 70.2° |
| C9 | C5 | N | C3 | 17.2° | 60.0° |
| C5 | C9 | C8 | H16 | 120.8° | 120.2° |
| C5 | C9 | C8 | H17 | 120.7° | 120.1° |
| C9 | C5 | C6 | H5 | 169.5° | 50.2° |
| C9 | C5 | C6 | H6 | 50.8° | 170.0° |
| C5 | C9 | C8 | H9 | 84.7° | 56.3° |
| C5 | C9 | C8 | H10 | 156.3° | 176.4° |
| C5 | C9 | H16 | H17 | 117.7° | 119.8° |
| N | C3 | C2 | H15 | 180.0° | 180.0° |
| N | C3 | C2 | C1 | 158.0° | 109.3° |
| C3 | N | C4 | H1 | 44.1° | 90.0° |
| C3 | N | C4 | H2 | 76.0° | 29.9° |
| C3 | N | C4 | H3 | 164.1° | 150.0° |
| C3 | N | C5 | H4 | 99.8° | 179.4° |
| C8 | C9 | C5 | H4 | 86.0° | 50.3° |
| C9 | C8 | H9 | H10 | 118.5° | 120.1° |
| C8 | C9 | H16 | H17 | 117.7° | 119.7° |
| C3 | C2 | C1 | C | 0.9° | 160.8° |
| C3 | C2 | C1 | H14 | 179.1° | 19.3° |
| C2 | C1 | C | H14 | 180.0° | 179.9° |
| C2 | C1 | C | H11 | 180.0° | 60.1° |
| C2 | C1 | C | H12 | 60.0° | 60.0° |
| C2 | C1 | C | H13 | 60.0° | 180.0° |
| C1 | C2 | C3 | H15 | 22.0° | 70.7° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H13 | 120.0° | 120.0° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| H1 | C4 | H2 | H3 | 120.0° | 120.0° |
| H4 | C5 | C6 | H5 | 76.2° | 170.4° |
| H4 | C5 | C6 | H6 | 165.1° | 69.8° |
| H4 | C5 | C9 | H16 | 34.8° | 69.9° |
| H4 | C5 | C9 | H17 | 153.3° | 170.4° |
| H5 | C6 | C7 | H7 | 81.6° | 63.4° |
| H5 | C6 | C7 | H8 | 37.4° | 176.3° |
| H6 | C6 | C7 | H7 | 37.1° | 56.4° |
| H6 | C6 | C7 | H8 | 156.1° | 63.9° |
| H9 | C8 | C9 | H16 | 154.5° | 63.9° |
| H9 | C8 | C9 | H17 | 36.0° | 176.4° |
| H10 | C8 | C9 | H16 | 35.5° | 56.2° |
| H10 | C8 | C9 | H17 | 83.0° | 63.4° |
| H11 | C | H12 | H13 | 120.0° | 120.0° |
| H11 | C | C1 | H14 | 0.0° | 120.0° |
| H12 | C | C1 | H14 | 120.0° | 119.9° |
| H13 | C | C1 | H14 | 120.0° | 0.1° |
