HZ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | S23 | sing | 1.81Å | 1.84Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | N09 | sing | 1.47Å | 1.48Å | |
| C12 | N09 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C08 | N09 | sing | 1.47Å | 1.43Å | |
| C08 | C07 | sing | 1.53Å | 1.56Å | |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C14 | O15 | sing | 1.43Å | 1.42Å | |
| C17 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| S23 | O26 | doub | 1.42Å | 1.46Å | |
| S23 | O25 | doub | 1.42Å | 1.48Å | |
| S23 | N22 | sing | 1.66Å | 1.74Å | |
| C13 | O27 | sing | 1.43Å | 1.37Å | |
| C07 | C06 | sing | 1.51Å | 1.57Å | |
| C01 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.41Å | Aromatic |
| N22 | C19 | sing | 1.40Å | 1.47Å | |
| C19 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | O15 | sing | 1.36Å | 1.42Å | |
| C16 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.41Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.41Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | CL2 | sing | 1.74Å | 1.79Å | |
| C04 | CL1 | sing | 1.74Å | 1.80Å | |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.08Å | 1.08Å | |
| N22 | H23 | sing | 0.97Å | 1.00Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| O27 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | S23 | O26 | 111.3° | 110.5° |
| C24 | S23 | O25 | 111.0° | 110.6° |
| C24 | S23 | N22 | 110.5° | 104.5° |
| S23 | C24 | H24 | 109.5° | 109.5° |
| S23 | C24 | H25 | 109.5° | 109.4° |
| S23 | C24 | H26 | 109.5° | 109.4° |
| C11 | C10 | N09 | 110.4° | 109.5° |
| C11 | C10 | H9 | 109.2° | 109.4° |
| C11 | C10 | H10 | 109.3° | 109.4° |
| C10 | C11 | H11 | 109.5° | 109.4° |
| C10 | C11 | H12 | 109.5° | 109.5° |
| C10 | C11 | H13 | 109.5° | 109.4° |
| C10 | N09 | C12 | 109.2° | 111.0° |
| C10 | N09 | C08 | 109.5° | 111.0° |
| N09 | C10 | H9 | 109.3° | 109.5° |
| N09 | C10 | H10 | 109.2° | 109.5° |
| N09 | C12 | C13 | 111.0° | 109.5° |
| C12 | N09 | C08 | 109.6° | 111.0° |
| N09 | C12 | H14 | 109.1° | 109.5° |
| N09 | C12 | H15 | 109.1° | 109.5° |
| C12 | C13 | C14 | 108.9° | 109.4° |
| C12 | C13 | O27 | 109.8° | 109.5° |
| C13 | C12 | H14 | 109.1° | 109.5° |
| C13 | C12 | H15 | 109.1° | 109.4° |
| C12 | C13 | H16 | 108.8° | 109.4° |
| N09 | C08 | C07 | 110.4° | 109.5° |
| N09 | C08 | H6 | 109.2° | 109.5° |
| N09 | C08 | H7 | 109.2° | 109.4° |
| C08 | C07 | C06 | 112.6° | 109.5° |
| C08 | C07 | H4 | 108.7° | 109.5° |
| C08 | C07 | H5 | 108.7° | 109.5° |
| C07 | C08 | H6 | 109.2° | 109.5° |
| C07 | C08 | H7 | 109.3° | 109.5° |
| C17 | C18 | C19 | 119.9° | 120.0° |
| C18 | C17 | C16 | 119.9° | 120.0° |
| C18 | C17 | H19 | 120.0° | 120.0° |
| C17 | C18 | H20 | 120.1° | 120.0° |
| C18 | C19 | N22 | 119.7° | 120.1° |
| C18 | C19 | C20 | 120.2° | 120.0° |
| C19 | C18 | H20 | 120.0° | 120.0° |
| C13 | C14 | O15 | 108.2° | 109.4° |
| C14 | C13 | O27 | 109.2° | 109.5° |
| C14 | C13 | H16 | 108.8° | 109.5° |
| C13 | C14 | H17 | 109.8° | 109.5° |
| C13 | C14 | H18 | 109.8° | 109.5° |
| C14 | O15 | C16 | 113.5° | 117.0° |
| O15 | C14 | H17 | 109.8° | 109.4° |
| O15 | C14 | H18 | 109.8° | 109.5° |
| C17 | C16 | O15 | 119.9° | 120.0° |
| C17 | C16 | C21 | 120.0° | 120.0° |
| C16 | C17 | H19 | 120.1° | 120.0° |
| O26 | S23 | O25 | 101.9° | 121.0° |
| O26 | S23 | N22 | 111.0° | 104.3° |
| O25 | S23 | N22 | 110.9° | 104.3° |
| S23 | N22 | C19 | 119.5° | 120.0° |
| S23 | N22 | H23 | 106.9° | 120.0° |
| O27 | C13 | H16 | 111.3° | 109.5° |
| C13 | O27 | H27 | 109.5° | 114.1° |
| C07 | C06 | C01 | 119.9° | 120.0° |
| C07 | C06 | C05 | 120.0° | 120.0° |
| C06 | C07 | H4 | 108.7° | 109.4° |
| C06 | C07 | H5 | 108.7° | 109.5° |
| C06 | C01 | C02 | 120.1° | 120.0° |
| C01 | C06 | C05 | 120.0° | 120.0° |
| C06 | C01 | H1 | 120.0° | 120.0° |
| C01 | C02 | C03 | 119.9° | 120.0° |
| C02 | C01 | H1 | 120.0° | 120.0° |
| C01 | C02 | H2 | 120.0° | 119.9° |
| N22 | C19 | C20 | 119.9° | 120.0° |
| C19 | N22 | H23 | 106.9° | 120.0° |
| C19 | C20 | C21 | 120.0° | 119.9° |
| C19 | C20 | H21 | 120.0° | 120.0° |
| C06 | C05 | C04 | 119.8° | 120.0° |
| C06 | C05 | H3 | 120.1° | 119.9° |
| O15 | C16 | C21 | 120.1° | 120.0° |
| C16 | C21 | C20 | 119.9° | 120.1° |
| C16 | C21 | H22 | 120.0° | 120.0° |
| C02 | C03 | C04 | 120.1° | 120.0° |
| C02 | C03 | CL2 | 120.7° | 120.0° |
| C03 | C02 | H2 | 120.1° | 120.0° |
| C05 | C04 | C03 | 120.1° | 119.9° |
| C05 | C04 | CL1 | 120.6° | 120.0° |
| C04 | C05 | H3 | 120.1° | 120.0° |
| C04 | C03 | CL2 | 119.3° | 120.0° |
| C03 | C04 | CL1 | 119.2° | 120.0° |
| C21 | C20 | H21 | 120.0° | 120.0° |
| C20 | C21 | H22 | 120.0° | 119.9° |
| H4 | C07 | H5 | 109.4° | 109.4° |
| H6 | C08 | H7 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H11 | C11 | H13 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H24 | C24 | H25 | 109.4° | 109.5° |
| H24 | C24 | H26 | 109.5° | 109.5° |
| H25 | C24 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | S23 | O26 | O25 | 118.3° | 131.5° |
| C24 | S23 | O26 | N22 | 123.5° | 111.7° |
| C24 | S23 | O25 | N22 | 123.2° | 111.8° |
| C24 | S23 | N22 | C19 | 64.3° | 62.9° |
| C24 | S23 | N22 | H23 | 174.2° | 117.1° |
| S23 | C24 | H24 | H25 | 120.0° | 120.0° |
| S23 | C24 | H24 | H26 | 120.0° | 120.0° |
| S23 | C24 | H25 | H26 | 120.0° | 120.0° |
| C11 | C10 | N09 | H9 | 120.1° | 120.0° |
| C11 | C10 | N09 | H10 | 120.1° | 120.0° |
| C11 | C10 | N09 | C12 | 59.2° | 72.2° |
| C11 | C10 | N09 | C08 | 179.3° | 163.8° |
| C11 | C10 | H9 | H10 | 119.6° | 119.9° |
| C10 | C11 | H11 | H12 | 120.0° | 120.0° |
| C10 | C11 | H11 | H13 | 120.0° | 120.0° |
| C10 | C11 | H12 | H13 | 120.0° | 120.0° |
| C10 | N09 | C12 | C08 | 120.0° | 124.0° |
| C10 | N09 | C12 | C13 | 175.9° | 159.9° |
| C10 | N09 | C08 | C07 | 151.1° | 66.0° |
| C10 | N09 | C08 | H6 | 31.0° | 174.0° |
| C10 | N09 | C08 | H7 | 88.7° | 54.0° |
| N09 | C10 | H9 | H10 | 119.6° | 120.1° |
| N09 | C10 | C11 | H11 | 180.0° | 66.2° |
| N09 | C10 | C11 | H12 | 60.0° | 173.9° |
| N09 | C10 | C11 | H13 | 60.0° | 53.8° |
| C10 | N09 | C12 | H14 | 63.9° | 80.1° |
| C10 | N09 | C12 | H15 | 55.7° | 39.9° |
| N09 | C12 | C13 | H14 | 120.2° | 120.0° |
| N09 | C12 | C13 | H15 | 120.2° | 120.0° |
| C12 | N09 | C08 | C07 | 89.1° | 170.0° |
| N09 | C12 | C13 | C14 | 172.8° | 177.4° |
| N09 | C12 | C13 | O27 | 53.3° | 62.5° |
| C12 | N09 | C08 | H6 | 150.8° | 49.9° |
| C12 | N09 | C08 | H7 | 31.0° | 70.0° |
| C12 | N09 | C10 | H9 | 179.4° | 47.8° |
| C12 | N09 | C10 | H10 | 60.9° | 167.8° |
| N09 | C12 | H14 | H15 | 119.3° | 120.0° |
| N09 | C12 | C13 | H16 | 68.7° | 57.5° |
| C13 | C12 | N09 | C08 | 64.1° | 76.1° |
| C12 | C13 | C14 | O27 | 119.8° | 120.0° |
| C12 | C13 | C14 | H16 | 118.5° | 119.9° |
| C12 | C13 | C14 | O15 | 158.6° | 175.0° |
| C12 | C13 | O27 | H16 | 120.6° | 120.0° |
| C13 | C12 | H14 | H15 | 119.3° | 120.0° |
| C12 | C13 | C14 | H17 | 81.6° | 55.0° |
| C12 | C13 | C14 | H18 | 38.8° | 65.1° |
| C12 | C13 | O27 | H27 | 180.0° | 55.1° |
| N09 | C08 | C07 | H6 | 120.1° | 120.0° |
| N09 | C08 | C07 | H7 | 120.1° | 119.9° |
| N09 | C08 | C07 | C06 | 148.9° | 180.0° |
| N09 | C08 | C07 | H4 | 90.7° | 60.0° |
| N09 | C08 | C07 | H5 | 28.4° | 60.0° |
| N09 | C08 | H6 | H7 | 119.6° | 119.9° |
| C08 | N09 | C10 | H9 | 60.6° | 76.2° |
| C08 | N09 | C10 | H10 | 59.2° | 43.8° |
| C08 | N09 | C12 | H14 | 56.1° | 43.9° |
| C08 | N09 | C12 | H15 | 175.7° | 163.9° |
| C08 | C07 | C06 | H4 | 120.5° | 120.0° |
| C08 | C07 | C06 | H5 | 120.5° | 120.0° |
| C08 | C07 | C06 | C01 | 51.3° | 90.0° |
| C08 | C07 | C06 | C05 | 129.4° | 90.0° |
| C08 | C07 | H4 | H5 | 118.6° | 120.0° |
| C07 | C08 | H6 | H7 | 119.6° | 120.1° |
| C17 | C18 | C19 | H20 | 180.0° | 180.0° |
| C18 | C17 | C16 | H19 | 180.0° | 180.0° |
| C17 | C18 | C19 | N22 | 177.9° | 180.0° |
| C17 | C18 | C19 | C20 | 3.0° | 0.0° |
| C18 | C17 | C16 | O15 | 179.5° | 180.0° |
| C18 | C17 | C16 | C21 | 0.4° | 0.3° |
| C19 | C18 | C17 | C16 | 1.7° | 0.0° |
| C18 | C19 | N22 | S23 | 76.9° | 105.8° |
| C18 | C19 | N22 | C20 | 174.9° | 180.0° |
| C18 | C19 | C20 | C21 | 3.0° | 0.3° |
| C19 | C18 | C17 | H19 | 178.3° | 180.0° |
| C18 | C19 | C20 | H21 | 177.1° | 180.0° |
| C18 | C19 | N22 | H23 | 161.7° | 74.2° |
| C13 | C14 | O15 | H17 | 119.8° | 120.0° |
| C13 | C14 | O15 | H18 | 119.8° | 120.0° |
| C14 | C13 | O27 | H16 | 120.2° | 120.0° |
| C13 | C14 | O15 | C16 | 168.1° | 180.0° |
| C14 | C13 | C12 | H14 | 67.0° | 57.4° |
| C14 | C13 | C12 | H15 | 52.6° | 62.6° |
| C13 | C14 | H17 | H18 | 120.6° | 120.0° |
| C14 | C13 | O27 | H27 | 60.7° | 64.9° |
| C14 | O15 | C16 | C17 | 3.7° | 0.2° |
| O15 | C14 | C13 | O27 | 38.7° | 65.0° |
| C14 | O15 | C16 | C21 | 176.3° | 180.0° |
| O15 | C14 | C13 | H16 | 83.0° | 55.0° |
| O15 | C14 | H17 | H18 | 120.5° | 120.0° |
| C17 | C16 | O15 | C21 | 180.0° | 179.8° |
| C17 | C16 | C21 | C20 | 0.4° | 0.5° |
| C16 | C17 | C18 | H20 | 178.3° | 180.0° |
| C17 | C16 | C21 | H22 | 179.6° | 179.7° |
| O26 | S23 | O25 | N22 | 118.2° | 116.8° |
| O26 | S23 | N22 | C19 | 171.7° | 53.2° |
| O26 | S23 | N22 | H23 | 50.3° | 126.9° |
| O26 | S23 | C24 | H24 | 180.0° | 56.3° |
| O26 | S23 | C24 | H25 | 60.0° | 176.3° |
| O26 | S23 | C24 | H26 | 60.0° | 63.7° |
| O25 | S23 | N22 | C19 | 59.2° | 179.0° |
| O25 | S23 | N22 | H23 | 62.2° | 1.0° |
| O25 | S23 | C24 | H24 | 67.3° | 167.0° |
| O25 | S23 | C24 | H25 | 172.7° | 47.0° |
| O25 | S23 | C24 | H26 | 52.7° | 73.0° |
| S23 | N22 | C19 | H23 | 121.4° | 180.0° |
| S23 | N22 | C19 | C20 | 98.0° | 74.2° |
| N22 | S23 | C24 | H24 | 56.2° | 55.3° |
| N22 | S23 | C24 | H25 | 63.8° | 64.7° |
| N22 | S23 | C24 | H26 | 176.2° | 175.3° |
| O27 | C13 | C12 | H14 | 173.5° | 177.4° |
| O27 | C13 | C12 | H15 | 66.9° | 57.5° |
| O27 | C13 | C14 | H17 | 158.5° | 175.0° |
| O27 | C13 | C14 | H18 | 81.1° | 54.9° |
| C07 | C06 | C01 | C05 | 179.3° | 180.0° |
| C07 | C06 | C01 | C02 | 179.9° | 180.0° |
| C07 | C06 | C05 | C04 | 179.8° | 180.0° |
| C07 | C06 | C01 | H1 | 0.1° | 0.3° |
| C07 | C06 | C05 | H3 | 0.2° | 0.0° |
| C06 | C07 | H4 | H5 | 118.6° | 120.0° |
| C06 | C07 | C08 | H6 | 28.8° | 60.0° |
| C06 | C07 | C08 | H7 | 91.0° | 60.0° |
| C06 | C01 | C02 | H1 | 180.0° | 179.7° |
| C06 | C01 | C02 | C03 | 0.2° | 0.0° |
| C01 | C06 | C05 | C04 | 0.9° | 0.0° |
| C06 | C01 | C02 | H2 | 179.8° | 179.9° |
| C01 | C06 | C05 | H3 | 179.1° | 179.9° |
| C01 | C06 | C07 | H4 | 171.7° | 150.0° |
| C01 | C06 | C07 | H5 | 69.2° | 30.0° |
| C02 | C01 | C06 | C05 | 0.5° | 0.0° |
| C01 | C02 | C03 | H2 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 0.6° | 0.0° |
| C01 | C02 | C03 | CL2 | 179.6° | 180.0° |
| N22 | C19 | C20 | C21 | 177.8° | 179.7° |
| N22 | C19 | C18 | H20 | 2.1° | 0.0° |
| N22 | C19 | C20 | H21 | 2.2° | 0.1° |
| C19 | C20 | C21 | C16 | 1.7° | 0.5° |
| C19 | C20 | C21 | H21 | 180.0° | 179.7° |
| C20 | C19 | C18 | H20 | 177.0° | 180.0° |
| C19 | C20 | C21 | H22 | 178.3° | 179.7° |
| C20 | C19 | N22 | H23 | 23.4° | 105.9° |
| C06 | C05 | C04 | H3 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 0.6° | 0.1° |
| C06 | C05 | C04 | CL1 | 179.3° | 180.0° |
| C05 | C06 | C01 | H1 | 179.4° | 179.7° |
| C05 | C06 | C07 | H4 | 8.9° | 30.0° |
| C05 | C06 | C07 | H5 | 110.1° | 150.0° |
| O15 | C16 | C21 | C20 | 179.5° | 179.7° |
| C16 | O15 | C14 | H17 | 72.1° | 60.0° |
| C16 | O15 | C14 | H18 | 48.3° | 60.0° |
| O15 | C16 | C17 | H19 | 0.5° | 0.0° |
| O15 | C16 | C21 | H22 | 0.5° | 0.1° |
| C16 | C21 | C20 | H22 | 180.0° | 179.8° |
| C21 | C16 | C17 | H19 | 179.6° | 179.7° |
| C16 | C21 | C20 | H21 | 178.3° | 179.8° |
| C02 | C03 | C04 | C05 | 0.2° | 0.1° |
| C02 | C03 | C04 | CL2 | 179.8° | 180.0° |
| C02 | C03 | C04 | CL1 | 180.0° | 180.0° |
| C03 | C02 | C01 | H1 | 179.8° | 179.7° |
| C05 | C04 | C03 | CL1 | 179.8° | 179.9° |
| C05 | C04 | C03 | CL2 | 180.0° | 179.9° |
| C04 | C03 | C02 | H2 | 179.4° | 180.0° |
| C03 | C04 | C05 | H3 | 179.4° | 180.0° |
| CL2 | C03 | C04 | CL1 | 0.1° | 0.0° |
| CL2 | C03 | C02 | H2 | 0.4° | 0.0° |
| CL1 | C04 | C05 | H3 | 0.7° | 0.1° |
| H1 | C01 | C02 | H2 | 0.2° | 0.3° |
| H4 | C07 | C08 | H6 | 149.2° | 180.0° |
| H4 | C07 | C08 | H7 | 29.5° | 59.9° |
| H5 | C07 | C08 | H6 | 91.7° | 60.0° |
| H5 | C07 | C08 | H7 | 148.5° | 179.9° |
| H9 | C10 | C11 | H11 | 59.9° | 53.8° |
| H9 | C10 | C11 | H12 | 60.1° | 66.1° |
| H9 | C10 | C11 | H13 | 179.9° | 173.8° |
| H10 | C10 | C11 | H11 | 59.9° | 173.8° |
| H10 | C10 | C11 | H12 | 179.9° | 53.8° |
| H10 | C10 | C11 | H13 | 60.1° | 66.2° |
| H11 | C11 | H12 | H13 | 120.0° | 120.0° |
| H14 | C12 | C13 | H16 | 51.5° | 62.6° |
| H15 | C12 | C13 | H16 | 171.0° | 177.5° |
| H16 | C13 | C14 | H17 | 36.8° | 64.9° |
| H16 | C13 | C14 | H18 | 157.2° | 175.0° |
| H16 | C13 | O27 | H27 | 59.5° | 175.1° |
| H19 | C17 | C18 | H20 | 1.7° | 0.0° |
| H21 | C20 | C21 | H22 | 1.7° | 0.0° |
| H24 | C24 | H25 | H26 | 120.0° | 120.1° |
