H6S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | N13 | sing | 1.47Å | 1.46Å | |
| N13 | C15 | sing | 1.47Å | 1.46Å | |
| N13 | C12 | sing | 1.48Å | 1.49Å | |
| C15 | C16 | sing | 1.54Å | 1.51Å | |
| C16 | C17 | sing | 1.55Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C12 | C17 | sing | 1.55Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| C10 | O09 | sing | 1.43Å | 1.42Å | |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C18 | doub | 1.32Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.45Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | O09 | sing | 1.43Å | 1.43Å | |
| C08 | C07 | sing | 1.51Å | 1.52Å | |
| C08 | C18 | sing | 1.51Å | 1.51Å | |
| N29 | C21 | doub | 1.34Å | 1.36Å | Aromatic |
| N29 | C28 | sing | 1.31Å | 1.35Å | Aromatic |
| C07 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | S19 | sing | 1.75Å | 1.76Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | CL | sing | 1.74Å | 1.73Å | |
| C22 | S19 | sing | 1.76Å | 1.79Å | Aromatic |
| C22 | C23 | doub | 1.41Å | 1.46Å | Aromatic |
| C27 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.48Å | 1.49Å | |
| C24 | O26 | doub | 1.21Å | 1.32Å | |
| C24 | O25 | sing | 1.35Å | 1.23Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| O25 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | N13 | C15 | 109.0° | 111.0° |
| C14 | N13 | C12 | 114.1° | 111.0° |
| N13 | C14 | H11 | 109.5° | 109.5° |
| N13 | C14 | H12 | 109.5° | 109.4° |
| N13 | C14 | H13 | 109.5° | 109.5° |
| C15 | N13 | C12 | 107.9° | 108.6° |
| N13 | C15 | C16 | 106.1° | 107.2° |
| N13 | C15 | H14 | 110.3° | 109.9° |
| N13 | C15 | H15 | 110.3° | 110.0° |
| N13 | C12 | C11 | 110.4° | 110.4° |
| N13 | C12 | C17 | 106.6° | 104.8° |
| N13 | C12 | H10 | 109.0° | 110.5° |
| C15 | C16 | C17 | 104.1° | 103.0° |
| C16 | C15 | H14 | 110.3° | 109.9° |
| C16 | C15 | H15 | 110.3° | 109.9° |
| C15 | C16 | H16 | 110.8° | 110.7° |
| C15 | C16 | H17 | 110.8° | 110.7° |
| C16 | C17 | C12 | 104.7° | 101.7° |
| C17 | C16 | H16 | 110.8° | 110.7° |
| C17 | C16 | H17 | 110.8° | 110.7° |
| C16 | C17 | H18 | 110.7° | 111.0° |
| C16 | C17 | H19 | 110.7° | 110.9° |
| C11 | C12 | C17 | 113.7° | 110.3° |
| C12 | C11 | C10 | 113.2° | 109.4° |
| C12 | C11 | H8 | 108.5° | 109.5° |
| C12 | C11 | H9 | 108.5° | 109.5° |
| C11 | C12 | H10 | 108.6° | 110.3° |
| C17 | C12 | H10 | 108.4° | 110.4° |
| C12 | C17 | H18 | 110.6° | 111.0° |
| C12 | C17 | H19 | 110.7° | 111.0° |
| C11 | C10 | O09 | 108.0° | 109.5° |
| C11 | C10 | H6 | 109.9° | 109.5° |
| C11 | C10 | H7 | 109.9° | 109.5° |
| C10 | C11 | H8 | 108.5° | 109.5° |
| C10 | C11 | H9 | 108.5° | 109.4° |
| C10 | O09 | C08 | 114.6° | 114.0° |
| O09 | C10 | H6 | 109.8° | 109.4° |
| O09 | C10 | H7 | 109.8° | 109.5° |
| C05 | C06 | C07 | 121.7° | 120.1° |
| C06 | C05 | C04 | 120.1° | 120.0° |
| C06 | C05 | H3 | 120.0° | 120.0° |
| C05 | C06 | H4 | 119.2° | 120.0° |
| C06 | C07 | C08 | 118.1° | 120.0° |
| C06 | C07 | C02 | 117.4° | 119.9° |
| C07 | C06 | H4 | 119.2° | 119.9° |
| C18 | C20 | C21 | 116.1° | 115.0° |
| C20 | C18 | C08 | 126.9° | 124.3° |
| C20 | C18 | S19 | 109.0° | 111.4° |
| C18 | C20 | H20 | 122.0° | 122.5° |
| C20 | C21 | N29 | 123.1° | 129.1° |
| C20 | C21 | C22 | 114.1° | 111.7° |
| C21 | C20 | H20 | 121.9° | 122.5° |
| C05 | C04 | C03 | 119.4° | 120.0° |
| C05 | C04 | H2 | 120.3° | 120.0° |
| C04 | C05 | H3 | 120.0° | 120.0° |
| O09 | C08 | C07 | 111.6° | 109.5° |
| O09 | C08 | C18 | 108.8° | 109.5° |
| O09 | C08 | H5 | 109.0° | 109.4° |
| C07 | C08 | C18 | 111.7° | 109.5° |
| C08 | C07 | C02 | 124.5° | 120.0° |
| C07 | C08 | H5 | 107.8° | 109.5° |
| C08 | C18 | S19 | 124.1° | 124.3° |
| C18 | C08 | H5 | 107.9° | 109.5° |
| C21 | N29 | C28 | 118.5° | 122.6° |
| N29 | C21 | C22 | 122.8° | 119.3° |
| N29 | C28 | C27 | 123.0° | 121.5° |
| N29 | C28 | H22 | 118.5° | 119.2° |
| C07 | C02 | C03 | 120.6° | 120.0° |
| C07 | C02 | CL | 122.0° | 120.0° |
| C18 | S19 | C22 | 92.7° | 92.2° |
| C21 | C22 | S19 | 108.0° | 109.8° |
| C21 | C22 | C23 | 118.1° | 119.3° |
| C28 | C27 | C23 | 120.0° | 119.0° |
| C28 | C27 | H21 | 120.0° | 120.5° |
| C27 | C28 | H22 | 118.5° | 119.3° |
| C04 | C03 | C02 | 120.9° | 120.0° |
| C04 | C03 | H1 | 119.6° | 120.1° |
| C03 | C04 | H2 | 120.3° | 120.0° |
| C03 | C02 | CL | 117.5° | 120.0° |
| C02 | C03 | H1 | 119.6° | 120.0° |
| S19 | C22 | C23 | 133.9° | 130.9° |
| C22 | C23 | C27 | 117.5° | 118.3° |
| C22 | C23 | C24 | 122.3° | 120.9° |
| C27 | C23 | C24 | 120.1° | 120.8° |
| C23 | C27 | H21 | 120.0° | 120.5° |
| C23 | C24 | O26 | 119.1° | 120.0° |
| C23 | C24 | O25 | 121.5° | 120.0° |
| O26 | C24 | O25 | 119.4° | 120.0° |
| C24 | O25 | H24 | 109.5° | 117.0° |
| H6 | C10 | H7 | 109.4° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H13 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.4° |
| H14 | C15 | H15 | 109.5° | 109.9° |
| H16 | C16 | H17 | 109.5° | 110.8° |
| H18 | C17 | H19 | 109.4° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | N13 | C15 | C12 | 124.5° | 122.3° |
| C14 | N13 | C15 | C16 | 147.4° | 123.2° |
| C14 | N13 | C12 | C11 | 110.6° | 94.8° |
| C14 | N13 | C12 | C17 | 125.4° | 146.4° |
| C14 | N13 | C12 | H10 | 8.6° | 27.5° |
| N13 | C14 | H11 | H12 | 120.0° | 120.0° |
| N13 | C14 | H11 | H13 | 120.0° | 120.1° |
| N13 | C14 | H12 | H13 | 120.0° | 119.9° |
| C14 | N13 | C15 | H14 | 27.9° | 117.4° |
| C14 | N13 | C15 | H15 | 93.2° | 3.8° |
| N13 | C15 | C16 | H14 | 119.4° | 119.4° |
| N13 | C15 | C16 | H15 | 119.4° | 119.5° |
| N13 | C15 | C16 | C17 | 32.8° | 22.3° |
| C15 | N13 | C12 | C11 | 128.0° | 142.9° |
| C15 | N13 | C12 | C17 | 4.1° | 24.1° |
| C15 | N13 | C12 | H10 | 112.8° | 94.8° |
| C15 | N13 | C14 | H11 | 180.0° | 65.2° |
| C15 | N13 | C14 | H12 | 60.0° | 174.8° |
| C15 | N13 | C14 | H13 | 60.0° | 54.9° |
| N13 | C15 | H14 | H15 | 121.6° | 121.2° |
| N13 | C15 | C16 | H16 | 152.0° | 96.1° |
| N13 | C15 | C16 | H17 | 86.3° | 140.7° |
| C12 | N13 | C15 | C16 | 22.9° | 1.0° |
| N13 | C12 | C17 | C16 | 16.2° | 37.1° |
| N13 | C12 | C11 | C17 | 119.8° | 115.4° |
| N13 | C12 | C11 | H10 | 119.4° | 122.4° |
| N13 | C12 | C17 | H10 | 117.2° | 118.9° |
| N13 | C12 | C11 | C10 | 101.5° | 70.2° |
| N13 | C12 | C11 | H8 | 137.9° | 49.8° |
| N13 | C12 | C11 | H9 | 19.0° | 169.9° |
| C12 | N13 | C14 | H11 | 59.3° | 55.7° |
| C12 | N13 | C14 | H12 | 179.3° | 64.4° |
| C12 | N13 | C14 | H13 | 60.7° | 175.8° |
| C12 | N13 | C15 | H14 | 96.5° | 120.4° |
| C12 | N13 | C15 | H15 | 142.4° | 118.5° |
| N13 | C12 | C17 | H18 | 103.1° | 81.0° |
| N13 | C12 | C17 | H19 | 135.5° | 155.1° |
| C15 | C16 | C17 | H16 | 119.1° | 118.3° |
| C15 | C16 | C17 | H17 | 119.1° | 118.3° |
| C15 | C16 | C17 | C12 | 29.6° | 35.7° |
| C16 | C15 | H14 | H15 | 121.6° | 121.1° |
| C15 | C16 | H16 | H17 | 122.5° | 123.2° |
| C15 | C16 | C17 | H18 | 89.6° | 82.4° |
| C15 | C16 | C17 | H19 | 148.9° | 153.8° |
| C16 | C17 | C12 | C11 | 105.7° | 155.9° |
| C16 | C17 | C12 | H18 | 119.3° | 118.1° |
| C16 | C17 | C12 | H19 | 119.3° | 118.0° |
| C16 | C17 | C12 | H10 | 133.4° | 81.9° |
| C17 | C16 | C15 | H14 | 86.6° | 97.1° |
| C17 | C16 | C15 | H15 | 152.3° | 141.8° |
| C17 | C16 | H16 | H17 | 122.5° | 123.3° |
| C16 | C17 | H18 | H19 | 122.2° | 123.8° |
| C11 | C12 | C17 | H10 | 120.9° | 122.2° |
| C12 | C11 | C10 | H8 | 120.6° | 120.0° |
| C12 | C11 | C10 | H9 | 120.6° | 119.9° |
| C12 | C11 | C10 | O09 | 41.4° | 174.5° |
| C12 | C11 | C10 | H6 | 161.2° | 65.5° |
| C12 | C11 | C10 | H7 | 78.3° | 54.5° |
| C12 | C11 | H8 | H9 | 118.3° | 120.0° |
| C11 | C12 | C17 | H18 | 135.0° | 37.8° |
| C11 | C12 | C17 | H19 | 13.6° | 86.1° |
| C17 | C12 | C11 | C10 | 138.7° | 174.4° |
| C17 | C12 | C11 | H8 | 18.1° | 65.6° |
| C17 | C12 | C11 | H9 | 100.8° | 54.5° |
| C12 | C17 | C16 | H16 | 148.8° | 82.7° |
| C12 | C17 | C16 | H17 | 89.5° | 154.0° |
| C12 | C17 | H18 | H19 | 122.2° | 123.9° |
| C11 | C10 | O09 | H6 | 119.8° | 120.0° |
| C11 | C10 | O09 | H7 | 119.8° | 120.1° |
| C11 | C10 | O09 | C08 | 152.4° | 180.0° |
| C11 | C10 | H6 | H7 | 120.7° | 120.0° |
| C10 | C11 | H8 | H9 | 118.3° | 120.0° |
| C10 | C11 | C12 | H10 | 17.9° | 52.2° |
| C10 | O09 | C08 | C07 | 72.4° | 90.0° |
| C10 | O09 | C08 | C18 | 164.0° | 150.0° |
| C10 | O09 | C08 | H5 | 46.6° | 30.0° |
| O09 | C10 | H6 | H7 | 120.7° | 120.0° |
| O09 | C10 | C11 | H8 | 79.1° | 65.4° |
| O09 | C10 | C11 | H9 | 162.0° | 54.6° |
| C05 | C06 | C07 | H4 | 180.0° | 179.7° |
| C06 | C05 | C04 | H3 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 179.6° | 180.0° |
| C05 | C06 | C07 | C02 | 0.6° | 0.5° |
| C06 | C05 | C04 | C03 | 0.0° | 0.0° |
| C06 | C05 | C04 | H2 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 0.2° | 0.2° |
| C06 | C07 | C08 | O09 | 143.5° | 25.0° |
| C06 | C07 | C08 | C02 | 179.0° | 179.5° |
| C06 | C07 | C08 | C18 | 94.5° | 95.0° |
| C06 | C07 | C02 | C03 | 0.6° | 0.5° |
| C06 | C07 | C02 | CL | 179.8° | 179.8° |
| C07 | C06 | C05 | H3 | 179.8° | 179.7° |
| C06 | C07 | C08 | H5 | 23.9° | 145.0° |
| C18 | C20 | C21 | H20 | 180.0° | 179.9° |
| C20 | C18 | C08 | O09 | 128.8° | 139.7° |
| C20 | C18 | C08 | C07 | 107.5° | 100.3° |
| C20 | C18 | C08 | S19 | 179.1° | 179.7° |
| C18 | C20 | C21 | N29 | 179.8° | 179.9° |
| C18 | C20 | C21 | C22 | 0.1° | 0.0° |
| C20 | C18 | S19 | C22 | 0.2° | 0.4° |
| C20 | C18 | C08 | H5 | 10.8° | 19.8° |
| C21 | C20 | C18 | C08 | 179.5° | 180.0° |
| C20 | C21 | N29 | C22 | 180.0° | 179.9° |
| C20 | C21 | N29 | C28 | 179.9° | 180.0° |
| C21 | C20 | C18 | S19 | 0.3° | 0.3° |
| C20 | C21 | C22 | S19 | 0.0° | 0.2° |
| C20 | C21 | C22 | C23 | 180.0° | 179.9° |
| C05 | C04 | C03 | H2 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.0° | 0.0° |
| C05 | C04 | C03 | H1 | 180.0° | 179.9° |
| C04 | C05 | C06 | H4 | 179.7° | 180.0° |
| O09 | C08 | C07 | C18 | 122.0° | 120.0° |
| O09 | C08 | C07 | H5 | 119.6° | 120.0° |
| O09 | C08 | C18 | H5 | 118.1° | 119.9° |
| O09 | C08 | C07 | C02 | 37.5° | 154.5° |
| O09 | C08 | C18 | S19 | 52.0° | 40.0° |
| C08 | O09 | C10 | H6 | 87.8° | 60.0° |
| C08 | O09 | C10 | H7 | 32.6° | 60.0° |
| C07 | C08 | C18 | H5 | 118.3° | 120.0° |
| C07 | C08 | C18 | S19 | 71.6° | 80.0° |
| C08 | C07 | C02 | C03 | 179.6° | 180.0° |
| C08 | C07 | C02 | CL | 0.8° | 0.3° |
| C08 | C07 | C06 | H4 | 0.4° | 0.3° |
| C18 | C08 | C07 | C02 | 84.5° | 85.5° |
| C08 | C18 | S19 | C22 | 179.5° | 179.9° |
| C08 | C18 | C20 | H20 | 0.5° | 0.0° |
| C21 | N29 | C28 | C27 | 0.2° | 0.1° |
| N29 | C21 | C22 | S19 | 180.0° | 179.7° |
| N29 | C21 | C22 | C23 | 0.0° | 0.0° |
| N29 | C21 | C20 | H20 | 0.2° | 0.1° |
| C21 | N29 | C28 | H22 | 179.8° | 180.0° |
| C28 | N29 | C21 | C22 | 0.1° | 0.1° |
| N29 | C28 | C27 | H22 | 180.0° | 179.9° |
| N29 | C28 | C27 | C23 | 0.2° | 0.1° |
| N29 | C28 | C27 | H21 | 179.8° | 180.0° |
| C07 | C02 | C03 | C04 | 0.4° | 0.3° |
| C07 | C02 | C03 | CL | 179.6° | 179.7° |
| C07 | C02 | C03 | H1 | 179.6° | 179.8° |
| C02 | C07 | C06 | H4 | 179.4° | 179.7° |
| C02 | C07 | C08 | H5 | 157.2° | 34.5° |
| C18 | S19 | C22 | C21 | 0.2° | 0.3° |
| C18 | S19 | C22 | C23 | 179.9° | 180.0° |
| S19 | C18 | C08 | H5 | 170.1° | 159.9° |
| S19 | C18 | C20 | H20 | 179.7° | 179.8° |
| C21 | C22 | S19 | C23 | 180.0° | 179.7° |
| C21 | C22 | C23 | C27 | 0.0° | 0.0° |
| C21 | C22 | C23 | C24 | 179.9° | 180.0° |
| C22 | C21 | C20 | H20 | 179.9° | 179.9° |
| C28 | C27 | C23 | C22 | 0.1° | 0.0° |
| C28 | C27 | C23 | H21 | 180.0° | 180.0° |
| C28 | C27 | C23 | C24 | 180.0° | 179.9° |
| C04 | C03 | C02 | H1 | 180.0° | 180.0° |
| C04 | C03 | C02 | CL | 180.0° | 180.0° |
| C03 | C04 | C05 | H3 | 179.9° | 180.0° |
| C02 | C03 | C04 | H2 | 180.0° | 180.0° |
| CL | C02 | C03 | H1 | 0.0° | 0.1° |
| S19 | C22 | C23 | C27 | 180.0° | 179.6° |
| S19 | C22 | C23 | C24 | 0.1° | 0.4° |
| C22 | C23 | C27 | C24 | 179.9° | 180.0° |
| C22 | C23 | C24 | O26 | 11.9° | 0.0° |
| C22 | C23 | C24 | O25 | 167.7° | 179.9° |
| C22 | C23 | C27 | H21 | 179.9° | 180.0° |
| C27 | C23 | C24 | O26 | 168.2° | 180.0° |
| C27 | C23 | C24 | O25 | 12.2° | 0.0° |
| C23 | C27 | C28 | H22 | 179.8° | 180.0° |
| C23 | C24 | O26 | O25 | 179.6° | 180.0° |
| C24 | C23 | C27 | H21 | 0.0° | 0.0° |
| C23 | C24 | O25 | H24 | 179.6° | 180.0° |
| O26 | C24 | O25 | H24 | 0.0° | 0.0° |
| H1 | C03 | C04 | H2 | 0.0° | 0.1° |
| H2 | C04 | C05 | H3 | 0.0° | 0.0° |
| H3 | C05 | C06 | H4 | 0.2° | 0.0° |
| H6 | C10 | C11 | H8 | 40.6° | 54.5° |
| H6 | C10 | C11 | H9 | 78.2° | 174.6° |
| H7 | C10 | C11 | H8 | 161.1° | 174.5° |
| H7 | C10 | C11 | H9 | 42.2° | 65.4° |
| H8 | C11 | C12 | H10 | 102.7° | 172.2° |
| H9 | C11 | C12 | H10 | 138.4° | 67.7° |
| H10 | C12 | C17 | H18 | 14.1° | 160.0° |
| H10 | C12 | C17 | H19 | 107.3° | 36.1° |
| H11 | C14 | H12 | H13 | 120.0° | 120.0° |
| H14 | C15 | C16 | H16 | 32.6° | 144.5° |
| H14 | C15 | C16 | H17 | 154.3° | 21.3° |
| H15 | C15 | C16 | H16 | 88.6° | 23.4° |
| H15 | C15 | C16 | H17 | 33.1° | 99.8° |
| H16 | C16 | C17 | H18 | 29.5° | 159.2° |
| H16 | C16 | C17 | H19 | 91.9° | 35.4° |
| H17 | C16 | C17 | H18 | 151.3° | 35.9° |
| H17 | C16 | C17 | H19 | 29.8° | 87.9° |
| H21 | C27 | C28 | H22 | 0.2° | 0.0° |
