7VZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | S4 | sing | 1.66Å | 1.58Å | |
| O6 | S4 | doub | 1.42Å | 1.46Å | |
| C17 | O16 | sing | 1.45Å | 1.41Å | |
| O16 | C14 | sing | 1.35Å | 1.43Å | |
| S4 | C7 | sing | 1.76Å | 1.62Å | |
| S4 | O5 | doub | 1.42Å | 1.41Å | |
| C12 | C7 | doub | 1.37Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.49Å | Aromatic |
| C14 | C11 | sing | 1.47Å | 1.49Å | |
| C14 | O15 | doub | 1.22Å | 1.23Å | |
| C11 | C10 | doub | 1.40Å | 1.46Å | Aromatic |
| C8 | S21 | sing | 1.76Å | 1.69Å | |
| C8 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | CL | sing | 1.74Å | 1.78Å | |
| S21 | C22 | sing | 1.81Å | 1.76Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C27 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | S4 | O6 | 112.6° | 106.4° |
| N1 | S4 | C7 | 105.1° | 107.2° |
| N1 | S4 | O5 | 111.1° | 106.4° |
| S4 | N1 | H5 | 109.5° | 120.0° |
| S4 | N1 | H6 | 109.5° | 119.9° |
| O6 | S4 | C7 | 104.7° | 106.4° |
| O6 | S4 | O5 | 111.6° | 123.1° |
| C17 | O16 | C14 | 121.5° | 117.0° |
| O16 | C17 | H1 | 109.5° | 109.5° |
| O16 | C17 | H2 | 109.5° | 109.5° |
| O16 | C17 | H3 | 109.5° | 109.4° |
| O16 | C14 | C11 | 117.9° | 120.0° |
| O16 | C14 | O15 | 116.4° | 120.0° |
| C7 | S4 | O5 | 111.5° | 106.4° |
| S4 | C7 | C12 | 121.9° | 119.9° |
| S4 | C7 | C8 | 120.4° | 119.9° |
| C7 | C12 | C11 | 121.8° | 120.1° |
| C12 | C7 | C8 | 117.7° | 120.2° |
| C7 | C12 | H7 | 119.1° | 119.9° |
| C12 | C11 | C14 | 123.3° | 120.1° |
| C12 | C11 | C10 | 118.1° | 119.8° |
| C11 | C12 | H7 | 119.1° | 120.0° |
| C7 | C8 | S21 | 121.4° | 119.9° |
| C7 | C8 | C9 | 120.2° | 120.1° |
| C11 | C14 | O15 | 125.7° | 120.0° |
| C14 | C11 | C10 | 118.6° | 120.1° |
| C11 | C10 | C9 | 121.8° | 119.8° |
| C11 | C10 | CL | 119.6° | 120.1° |
| S21 | C8 | C9 | 118.4° | 120.0° |
| C8 | S21 | C22 | 109.3° | 103.0° |
| C8 | C9 | C10 | 120.3° | 120.0° |
| C8 | C9 | H4 | 119.9° | 120.0° |
| C9 | C10 | CL | 118.6° | 120.1° |
| C10 | C9 | H4 | 119.8° | 120.1° |
| S21 | C22 | C27 | 111.6° | 109.5° |
| S21 | C22 | C23 | 106.9° | 109.4° |
| S21 | C22 | H8 | 107.8° | 109.5° |
| C27 | C26 | C25 | 112.1° | 109.5° |
| C26 | C27 | C22 | 114.5° | 109.5° |
| C27 | C26 | H15 | 108.8° | 109.5° |
| C27 | C26 | H16 | 108.8° | 109.4° |
| C26 | C27 | H17 | 108.2° | 109.5° |
| C26 | C27 | H18 | 108.2° | 109.4° |
| C26 | C25 | C24 | 113.7° | 109.4° |
| C26 | C25 | H13 | 108.4° | 109.5° |
| C26 | C25 | H14 | 108.4° | 109.4° |
| C25 | C26 | H15 | 108.8° | 109.5° |
| C25 | C26 | H16 | 108.8° | 109.5° |
| C27 | C22 | C23 | 109.2° | 109.4° |
| C27 | C22 | H8 | 110.5° | 109.5° |
| C22 | C27 | H17 | 108.2° | 109.5° |
| C22 | C27 | H18 | 108.2° | 109.5° |
| C22 | C23 | C24 | 109.3° | 109.4° |
| C23 | C22 | H8 | 110.8° | 109.5° |
| C22 | C23 | H9 | 109.5° | 109.5° |
| C22 | C23 | H10 | 109.5° | 109.5° |
| C23 | C24 | C25 | 106.8° | 109.5° |
| C24 | C23 | H9 | 109.5° | 109.4° |
| C24 | C23 | H10 | 109.5° | 109.5° |
| C23 | C24 | H11 | 110.1° | 109.5° |
| C23 | C24 | H12 | 110.2° | 109.5° |
| C25 | C24 | H11 | 110.1° | 109.5° |
| C25 | C24 | H12 | 110.1° | 109.4° |
| C24 | C25 | H13 | 108.4° | 109.5° |
| C24 | C25 | H14 | 108.4° | 109.5° |
| H1 | C17 | H2 | 109.5° | 109.5° |
| H1 | C17 | H3 | 109.4° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H5 | N1 | H6 | 109.5° | 120.1° |
| H9 | C23 | H10 | 109.5° | 109.5° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| H13 | C25 | H14 | 109.5° | 109.5° |
| H15 | C26 | H16 | 109.5° | 109.5° |
| H17 | C27 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | S4 | O6 | C7 | 113.6° | 114.1° |
| N1 | S4 | O6 | O5 | 125.7° | 122.9° |
| N1 | S4 | C7 | O5 | 120.4° | 113.5° |
| N1 | S4 | C7 | C12 | 4.3° | 114.5° |
| N1 | S4 | C7 | C8 | 179.1° | 65.0° |
| S4 | N1 | H5 | H6 | 120.0° | 180.0° |
| O6 | S4 | C7 | O5 | 120.8° | 132.9° |
| O6 | S4 | C7 | C12 | 114.5° | 0.9° |
| O6 | S4 | C7 | C8 | 62.2° | 178.6° |
| O6 | S4 | N1 | H5 | 180.0° | 96.4° |
| O6 | S4 | N1 | H6 | 60.0° | 83.5° |
| C17 | O16 | C14 | C11 | 152.6° | 180.0° |
| C17 | O16 | C14 | O15 | 26.3° | 0.0° |
| O16 | C17 | H1 | H2 | 120.0° | 120.0° |
| O16 | C17 | H1 | H3 | 120.0° | 120.0° |
| O16 | C17 | H2 | H3 | 120.0° | 119.9° |
| O16 | C14 | C11 | C12 | 17.4° | 0.0° |
| O16 | C14 | C11 | O15 | 178.8° | 180.0° |
| O16 | C14 | C11 | C10 | 160.7° | 180.0° |
| C14 | O16 | C17 | H1 | 180.0° | 60.0° |
| C14 | O16 | C17 | H2 | 60.0° | 60.0° |
| C14 | O16 | C17 | H3 | 60.0° | 180.0° |
| S4 | C7 | C12 | C8 | 176.7° | 179.4° |
| S4 | C7 | C12 | C11 | 180.0° | 179.7° |
| S4 | C7 | C8 | S21 | 2.4° | 0.0° |
| S4 | C7 | C8 | C9 | 179.4° | 180.0° |
| C7 | S4 | N1 | H5 | 66.7° | 150.0° |
| C7 | S4 | N1 | H6 | 53.3° | 30.0° |
| S4 | C7 | C12 | H7 | 0.0° | 0.6° |
| O5 | S4 | C7 | C12 | 124.7° | 132.0° |
| O5 | S4 | C7 | C8 | 58.6° | 48.6° |
| O5 | S4 | N1 | H5 | 54.0° | 36.5° |
| O5 | S4 | N1 | H6 | 174.0° | 143.6° |
| C7 | C12 | C11 | H7 | 180.0° | 179.2° |
| C7 | C12 | C11 | C14 | 179.0° | 179.4° |
| C7 | C12 | C11 | C10 | 2.9° | 0.6° |
| C12 | C7 | C8 | S21 | 179.2° | 179.4° |
| C12 | C7 | C8 | C9 | 2.6° | 0.6° |
| C11 | C12 | C7 | C8 | 3.3° | 0.9° |
| C12 | C11 | C14 | C10 | 178.1° | 180.0° |
| C12 | C11 | C14 | O15 | 161.4° | 180.0° |
| C12 | C11 | C10 | C9 | 1.9° | 0.0° |
| C12 | C11 | C10 | CL | 178.6° | 179.7° |
| C7 | C8 | S21 | C9 | 178.3° | 180.0° |
| C7 | C8 | C9 | C10 | 1.6° | 0.0° |
| C7 | C8 | S21 | C22 | 170.6° | 174.0° |
| C7 | C8 | C9 | H4 | 178.4° | 180.0° |
| C8 | C7 | C12 | H7 | 176.7° | 180.0° |
| C14 | C11 | C10 | C9 | 180.0° | 180.0° |
| C14 | C11 | C10 | CL | 0.4° | 0.3° |
| C14 | C11 | C12 | H7 | 1.0° | 0.3° |
| O15 | C14 | C11 | C10 | 20.5° | 0.0° |
| C11 | C10 | C9 | C8 | 1.2° | 0.3° |
| C11 | C10 | C9 | CL | 179.6° | 179.7° |
| C11 | C10 | C9 | H4 | 178.8° | 179.7° |
| C10 | C11 | C12 | H7 | 177.1° | 179.7° |
| S21 | C8 | C9 | C10 | 179.9° | 180.0° |
| C8 | S21 | C22 | C27 | 66.7° | 70.5° |
| C8 | S21 | C22 | C23 | 174.0° | 169.5° |
| S21 | C8 | C9 | H4 | 0.2° | 0.0° |
| C8 | S21 | C22 | H8 | 54.8° | 49.6° |
| C8 | C9 | C10 | H4 | 180.0° | 180.0° |
| C8 | C9 | C10 | CL | 179.2° | 180.0° |
| C9 | C8 | S21 | C22 | 7.7° | 6.0° |
| CL | C10 | C9 | H4 | 0.8° | 0.0° |
| S21 | C22 | C27 | C26 | 109.2° | 180.0° |
| S21 | C22 | C27 | C23 | 117.9° | 119.9° |
| S21 | C22 | C27 | H8 | 119.9° | 120.1° |
| S21 | C22 | C23 | H8 | 117.2° | 120.0° |
| S21 | C22 | C23 | C24 | 174.3° | 180.0° |
| S21 | C22 | C23 | H9 | 65.7° | 60.0° |
| S21 | C22 | C23 | H10 | 54.4° | 60.0° |
| S21 | C22 | C27 | H17 | 130.0° | 59.9° |
| S21 | C22 | C27 | H18 | 11.5° | 60.1° |
| C27 | C26 | C25 | H15 | 120.4° | 120.0° |
| C27 | C26 | C25 | H16 | 120.4° | 120.0° |
| C26 | C27 | C22 | H17 | 120.7° | 120.1° |
| C26 | C27 | C22 | H18 | 120.8° | 120.0° |
| C26 | C27 | C22 | C23 | 8.7° | 60.1° |
| C27 | C26 | C25 | C24 | 29.6° | 60.0° |
| C26 | C27 | C22 | H8 | 130.9° | 59.9° |
| C27 | C26 | C25 | H13 | 150.2° | 180.0° |
| C27 | C26 | C25 | H14 | 91.0° | 60.0° |
| C27 | C26 | H15 | H16 | 118.8° | 119.9° |
| C26 | C27 | H17 | H18 | 117.7° | 120.0° |
| C25 | C26 | C27 | C22 | 50.5° | 60.1° |
| C26 | C25 | C24 | C23 | 29.0° | 60.0° |
| C26 | C25 | C24 | H13 | 120.6° | 120.0° |
| C26 | C25 | C24 | H14 | 120.6° | 119.9° |
| C26 | C25 | C24 | H11 | 90.6° | 60.1° |
| C26 | C25 | C24 | H12 | 148.6° | 180.0° |
| C26 | C25 | H13 | H14 | 118.1° | 120.0° |
| C25 | C26 | H15 | H16 | 118.8° | 120.0° |
| C25 | C26 | C27 | H17 | 70.2° | 60.0° |
| C25 | C26 | C27 | H18 | 171.3° | 180.0° |
| C27 | C22 | C23 | H8 | 122.0° | 120.0° |
| C27 | C22 | C23 | C24 | 53.5° | 60.0° |
| C27 | C22 | C23 | H9 | 173.5° | 180.0° |
| C27 | C22 | C23 | H10 | 66.5° | 60.0° |
| C22 | C27 | C26 | H15 | 69.8° | 60.0° |
| C22 | C27 | C26 | H16 | 170.9° | 179.9° |
| C22 | C27 | H17 | H18 | 117.7° | 120.0° |
| C22 | C23 | C24 | H9 | 120.0° | 120.0° |
| C22 | C23 | C24 | H10 | 119.9° | 120.0° |
| C22 | C23 | C24 | C25 | 74.4° | 60.0° |
| C22 | C23 | H9 | H10 | 120.1° | 120.1° |
| C22 | C23 | C24 | H11 | 45.2° | 60.0° |
| C22 | C23 | C24 | H12 | 166.0° | 180.0° |
| C23 | C22 | C27 | H17 | 112.0° | 60.0° |
| C23 | C22 | C27 | H18 | 129.5° | 180.0° |
| C23 | C24 | C25 | H11 | 119.6° | 120.1° |
| C23 | C24 | C25 | H12 | 119.6° | 120.0° |
| C24 | C23 | C22 | H8 | 68.5° | 60.0° |
| C24 | C23 | H9 | H10 | 120.1° | 120.0° |
| C23 | C24 | H11 | H12 | 121.2° | 120.0° |
| C23 | C24 | C25 | H13 | 91.6° | 180.0° |
| C23 | C24 | C25 | H14 | 149.6° | 59.9° |
| C25 | C24 | C23 | H9 | 165.6° | 179.9° |
| C25 | C24 | C23 | H10 | 45.5° | 60.0° |
| C25 | C24 | H11 | H12 | 121.2° | 119.9° |
| C24 | C25 | H13 | H14 | 118.0° | 120.1° |
| C24 | C25 | C26 | H15 | 90.8° | 60.0° |
| C24 | C25 | C26 | H16 | 150.0° | 180.0° |
| H1 | C17 | H2 | H3 | 120.0° | 120.0° |
| H8 | C22 | C23 | H9 | 51.5° | 60.0° |
| H8 | C22 | C23 | H10 | 171.6° | 180.0° |
| H8 | C22 | C27 | H17 | 10.1° | 180.0° |
| H8 | C22 | C27 | H18 | 108.4° | 60.0° |
| H9 | C23 | C24 | H11 | 74.8° | 60.0° |
| H9 | C23 | C24 | H12 | 46.0° | 60.0° |
| H10 | C23 | C24 | H11 | 165.1° | 180.0° |
| H10 | C23 | C24 | H12 | 74.1° | 59.9° |
| H11 | C24 | C25 | H13 | 148.8° | 59.9° |
| H11 | C24 | C25 | H14 | 30.0° | NaN° |
| H12 | C24 | C25 | H13 | 28.0° | 60.1° |
| H12 | C24 | C25 | H14 | 90.8° | 60.0° |
| H13 | C25 | C26 | H15 | 29.8° | 60.0° |
| H13 | C25 | C26 | H16 | 89.4° | 60.0° |
| H14 | C25 | C26 | H15 | 148.6° | 180.0° |
| H14 | C25 | C26 | H16 | 29.4° | 60.0° |
| H15 | C26 | C27 | H17 | 169.4° | 180.0° |
| H15 | C26 | C27 | H18 | 50.9° | 60.0° |
| H16 | C26 | C27 | H17 | 50.2° | 60.0° |
| H16 | C26 | C27 | H18 | 68.3° | 60.0° |
