8NW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | S2 | sing | 1.83Å | 1.84Å | |
| C5 | C6 | sing | 1.54Å | 1.51Å | |
| S2 | S1 | sing | 2.07Å | 2.05Å | |
| C6 | C2 | sing | 1.54Å | 1.56Å | |
| S1 | C2 | sing | 1.83Å | 1.80Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C7 | C1 | sing | 1.53Å | 1.55Å | |
| C10 | N1 | sing | 1.35Å | 1.47Å | |
| C10 | O1 | doub | 1.21Å | 1.17Å | |
| N1 | C13 | sing | 1.47Å | 1.32Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | O3 | sing | 1.43Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| O3 | H5 | sing | 0.97Å | 0.95Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S2 | C5 | C6 | 101.4° | 105.8° |
| C5 | S2 | S1 | 97.7° | 97.3° |
| S2 | C5 | H6 | 111.4° | 110.2° |
| S2 | C5 | H7 | 111.5° | 110.2° |
| C5 | C6 | C2 | 111.3° | 110.7° |
| C6 | C5 | H6 | 111.5° | 110.2° |
| C6 | C5 | H7 | 111.4° | 110.1° |
| C5 | C6 | H8 | 109.0° | 109.3° |
| C5 | C6 | H9 | 109.0° | 109.2° |
| S2 | S1 | C2 | 97.1° | 97.3° |
| C6 | C2 | S1 | 99.6° | 105.8° |
| C6 | C2 | C1 | 104.9° | 110.2° |
| C6 | C2 | H3 | 111.3° | 110.1° |
| C2 | C6 | H8 | 109.0° | 109.4° |
| C2 | C6 | H9 | 109.0° | 109.1° |
| S1 | C2 | C1 | 119.7° | 110.2° |
| S1 | C2 | H3 | 108.4° | 110.2° |
| C2 | C1 | C7 | 112.5° | 109.5° |
| C2 | C1 | H1 | 108.7° | 109.5° |
| C2 | C1 | H2 | 108.7° | 109.5° |
| C1 | C2 | H3 | 112.2° | 110.2° |
| C9 | C8 | C7 | 104.9° | 109.5° |
| C8 | C9 | C10 | 110.3° | 109.5° |
| C9 | C8 | H12 | 110.6° | 109.4° |
| C9 | C8 | H13 | 110.6° | 109.5° |
| C8 | C9 | H14 | 109.3° | 109.4° |
| C8 | C9 | H15 | 109.3° | 109.5° |
| C8 | C7 | C1 | 117.4° | 109.5° |
| C8 | C7 | H10 | 107.5° | 109.5° |
| C8 | C7 | H11 | 107.4° | 109.5° |
| C7 | C8 | H12 | 110.6° | 109.5° |
| C7 | C8 | H13 | 110.6° | 109.5° |
| C9 | C10 | N1 | 119.9° | 120.0° |
| C9 | C10 | O1 | 118.0° | 120.0° |
| C10 | C9 | H14 | 109.2° | 109.5° |
| C10 | C9 | H15 | 109.3° | 109.5° |
| C7 | C1 | H1 | 108.7° | 109.5° |
| C7 | C1 | H2 | 108.7° | 109.4° |
| C1 | C7 | H10 | 107.4° | 109.4° |
| C1 | C7 | H11 | 107.5° | 109.4° |
| N1 | C10 | O1 | 122.0° | 120.0° |
| C10 | N1 | C13 | 114.1° | 120.0° |
| C10 | N1 | H4 | 122.9° | 120.1° |
| N1 | C13 | C14 | 98.7° | 109.5° |
| C13 | N1 | H4 | 123.0° | 119.9° |
| N1 | C13 | H16 | 112.1° | 109.5° |
| N1 | C13 | H17 | 112.1° | 109.4° |
| C13 | C14 | C15 | 113.1° | 109.5° |
| C14 | C13 | H16 | 112.1° | 109.5° |
| C14 | C13 | H17 | 112.1° | 109.5° |
| C13 | C14 | H18 | 108.6° | 109.5° |
| C13 | C14 | H19 | 108.5° | 109.5° |
| C14 | C15 | O3 | 112.2° | 109.5° |
| C15 | C14 | H18 | 108.5° | 109.5° |
| C15 | C14 | H19 | 108.6° | 109.5° |
| C14 | C15 | H20 | 108.8° | 109.4° |
| C14 | C15 | H21 | 108.8° | 109.5° |
| C15 | O3 | H5 | 109.5° | 114.0° |
| O3 | C15 | H20 | 108.8° | 109.5° |
| O3 | C15 | H21 | 108.8° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H6 | C5 | H7 | 109.5° | 110.2° |
| H8 | C6 | H9 | 109.5° | 109.2° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.4° |
| H14 | C9 | H15 | 109.5° | 109.4° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S2 | C5 | C6 | H6 | 118.6° | 119.2° |
| S2 | C5 | C6 | H7 | 118.7° | 119.1° |
| S2 | C5 | C6 | C2 | 55.8° | 50.0° |
| C5 | S2 | S1 | C2 | 7.8° | 0.0° |
| S2 | C5 | H6 | H7 | 123.8° | 121.9° |
| S2 | C5 | C6 | H8 | 176.1° | 170.5° |
| S2 | C5 | C6 | H9 | 64.4° | 70.1° |
| C6 | C5 | S2 | S1 | 23.2° | 26.0° |
| C5 | C6 | C2 | H8 | 120.3° | 120.4° |
| C5 | C6 | C2 | H9 | 120.3° | 120.2° |
| C5 | C6 | C2 | S1 | 62.3° | 50.0° |
| C5 | C6 | C2 | C1 | 62.0° | 169.2° |
| C5 | C6 | C2 | H3 | 176.4° | 69.1° |
| C6 | C5 | H6 | H7 | 123.8° | 121.7° |
| C5 | C6 | H8 | H9 | 119.2° | 119.4° |
| S2 | S1 | C2 | C6 | 35.3° | 26.1° |
| S2 | S1 | C2 | C1 | 78.0° | 145.2° |
| S2 | S1 | C2 | H3 | 151.7° | 93.0° |
| S1 | S2 | C5 | H6 | 95.5° | 145.1° |
| S1 | S2 | C5 | H7 | 141.9° | 93.0° |
| C6 | C2 | S1 | C1 | 113.3° | 119.1° |
| C6 | C2 | S1 | H3 | 116.4° | 119.0° |
| C6 | C2 | C1 | H3 | 121.0° | 121.7° |
| C6 | C2 | C1 | C7 | 56.7° | 176.1° |
| C6 | C2 | C1 | H1 | 177.1° | 63.9° |
| C6 | C2 | C1 | H2 | 63.7° | 56.1° |
| C2 | C6 | C5 | H6 | 62.8° | 169.2° |
| C2 | C6 | C5 | H7 | 174.6° | 69.1° |
| C2 | C6 | H8 | H9 | 119.2° | 119.3° |
| S1 | C2 | C1 | H3 | 128.6° | 121.8° |
| S1 | C2 | C1 | C7 | 167.1° | 67.5° |
| S1 | C2 | C1 | H1 | 72.5° | 52.5° |
| S1 | C2 | C1 | H2 | 46.7° | 172.5° |
| S1 | C2 | C6 | H8 | 177.4° | 170.5° |
| S1 | C2 | C6 | H9 | 57.9° | 70.2° |
| C2 | C1 | C7 | C8 | 117.1° | 180.0° |
| C2 | C1 | C7 | H1 | 120.4° | 120.0° |
| C2 | C1 | C7 | H2 | 120.5° | 120.0° |
| C2 | C1 | H1 | H2 | 118.6° | 120.0° |
| C1 | C2 | C6 | H8 | 58.3° | 70.4° |
| C1 | C2 | C6 | H9 | 177.7° | 49.0° |
| C2 | C1 | C7 | H10 | 121.7° | 60.0° |
| C2 | C1 | C7 | H11 | 4.0° | 60.0° |
| C9 | C8 | C7 | H12 | 119.3° | 120.0° |
| C9 | C8 | C7 | H13 | 119.3° | 120.0° |
| C8 | C9 | C10 | H14 | 120.1° | 119.9° |
| C8 | C9 | C10 | H15 | 120.1° | 120.1° |
| C9 | C8 | C7 | C1 | 172.8° | 180.0° |
| C8 | C9 | C10 | N1 | 95.1° | 180.0° |
| C8 | C9 | C10 | O1 | 88.5° | 0.0° |
| C9 | C8 | C7 | H10 | 51.6° | 60.1° |
| C9 | C8 | C7 | H11 | 66.1° | 60.0° |
| C9 | C8 | H12 | H13 | 122.1° | 119.9° |
| C8 | C9 | H14 | H15 | 119.6° | 120.0° |
| C7 | C8 | C9 | C10 | 85.3° | 180.0° |
| C8 | C7 | C1 | H10 | 121.2° | 120.0° |
| C8 | C7 | C1 | H11 | 121.1° | 120.0° |
| C8 | C7 | C1 | H1 | 122.5° | 59.9° |
| C8 | C7 | C1 | H2 | 3.4° | 60.0° |
| C8 | C7 | H10 | H11 | 116.4° | 120.1° |
| C7 | C8 | H12 | H13 | 122.1° | 120.0° |
| C7 | C8 | C9 | H14 | 154.6° | 60.0° |
| C7 | C8 | C9 | H15 | 34.8° | 59.9° |
| C9 | C10 | N1 | O1 | 176.2° | 180.0° |
| C9 | C10 | N1 | C13 | 170.1° | 180.0° |
| C9 | C10 | N1 | H4 | 9.9° | 0.0° |
| C10 | C9 | C8 | H12 | 155.5° | 60.0° |
| C10 | C9 | C8 | H13 | 34.0° | 60.0° |
| C10 | C9 | H14 | H15 | 119.6° | 120.1° |
| C7 | C1 | H1 | H2 | 118.6° | 119.9° |
| C7 | C1 | C2 | H3 | 64.3° | 54.3° |
| C1 | C7 | H10 | H11 | 116.4° | 120.0° |
| C1 | C7 | C8 | H12 | 68.0° | 60.0° |
| C1 | C7 | C8 | H13 | 53.5° | 60.0° |
| C10 | N1 | C13 | H4 | 180.0° | 180.0° |
| C10 | N1 | C13 | C14 | 65.6° | 180.0° |
| N1 | C10 | C9 | H14 | 25.0° | 60.0° |
| N1 | C10 | C9 | H15 | 144.8° | 60.0° |
| C10 | N1 | C13 | H16 | 176.2° | 60.0° |
| C10 | N1 | C13 | H17 | 52.6° | 60.0° |
| O1 | C10 | N1 | C13 | 13.6° | 0.0° |
| O1 | C10 | N1 | H4 | 166.4° | 180.0° |
| O1 | C10 | C9 | H14 | 151.3° | 120.0° |
| O1 | C10 | C9 | H15 | 31.6° | 120.0° |
| N1 | C13 | C14 | H16 | 118.2° | 120.0° |
| N1 | C13 | C14 | H17 | 118.2° | 120.0° |
| N1 | C13 | C14 | C15 | 115.9° | 180.0° |
| N1 | C13 | H16 | H17 | 125.0° | 119.9° |
| N1 | C13 | C14 | H18 | 123.6° | 60.0° |
| N1 | C13 | C14 | H19 | 4.6° | 60.0° |
| C13 | C14 | C15 | H18 | 120.6° | 120.0° |
| C13 | C14 | C15 | H19 | 120.5° | 120.0° |
| C13 | C14 | C15 | O3 | 116.7° | 180.0° |
| C14 | C13 | N1 | H4 | 114.4° | 0.0° |
| C14 | C13 | H16 | H17 | 125.1° | 120.1° |
| C13 | C14 | H18 | H19 | 118.3° | 120.0° |
| C13 | C14 | C15 | H20 | 122.9° | 60.0° |
| C13 | C14 | C15 | H21 | 3.7° | 60.0° |
| C14 | C15 | O3 | H20 | 120.4° | 119.9° |
| C14 | C15 | O3 | H21 | 120.4° | 120.0° |
| C14 | C15 | O3 | H5 | 180.0° | 180.0° |
| C15 | C14 | C13 | H16 | 2.3° | 60.0° |
| C15 | C14 | C13 | H17 | 125.9° | 60.0° |
| C15 | C14 | H18 | H19 | 118.3° | 120.0° |
| C14 | C15 | H20 | H21 | 118.8° | 120.0° |
| O3 | C15 | C14 | H18 | 3.9° | 60.0° |
| O3 | C15 | C14 | H19 | 122.8° | 60.0° |
| O3 | C15 | H20 | H21 | 118.7° | 120.1° |
| H1 | C1 | C2 | H3 | 56.2° | 174.3° |
| H1 | C1 | C7 | H10 | 1.3° | 180.0° |
| H1 | C1 | C7 | H11 | 116.4° | 60.1° |
| H2 | C1 | C2 | H3 | 175.3° | 65.7° |
| H2 | C1 | C7 | H10 | 117.8° | 60.0° |
| H2 | C1 | C7 | H11 | 124.5° | 180.0° |
| H3 | C2 | C6 | H8 | 63.3° | 51.4° |
| H3 | C2 | C6 | H9 | 56.2° | 170.7° |
| H4 | N1 | C13 | H16 | 3.9° | 120.0° |
| H4 | N1 | C13 | H17 | 127.4° | 120.0° |
| H5 | O3 | C15 | H20 | 59.6° | 60.1° |
| H5 | O3 | C15 | H21 | 59.6° | 59.9° |
| H6 | C5 | C6 | H8 | 57.5° | 70.3° |
| H6 | C5 | C6 | H9 | 177.0° | 49.0° |
| H7 | C5 | C6 | H8 | 65.2° | 51.4° |
| H7 | C5 | C6 | H9 | 54.3° | 170.8° |
| H10 | C7 | C8 | H12 | 170.9° | 179.9° |
| H10 | C7 | C8 | H13 | 67.6° | 59.9° |
| H11 | C7 | C8 | H12 | 53.2° | 60.0° |
| H11 | C7 | C8 | H13 | 174.6° | NaN° |
| H12 | C8 | C9 | H14 | 35.3° | 180.0° |
| H12 | C8 | C9 | H15 | 84.4° | 60.1° |
| H13 | C8 | C9 | H14 | 86.1° | 60.0° |
| H13 | C8 | C9 | H15 | 154.1° | 180.0° |
| H16 | C13 | C14 | H18 | 118.3° | 180.0° |
| H16 | C13 | C14 | H19 | 122.8° | 60.0° |
| H17 | C13 | C14 | H18 | 5.3° | 59.9° |
| H17 | C13 | C14 | H19 | 113.6° | 180.0° |
| H18 | C14 | C15 | H20 | 116.6° | 60.0° |
| H18 | C14 | C15 | H21 | 124.3° | 179.9° |
| H19 | C14 | C15 | H20 | 2.3° | 180.0° |
| H19 | C14 | C15 | H21 | 116.8° | 60.0° |
