6Z9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | S2 | doub | 1.42Å | 1.49Å | |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| O30 | S2 | doub | 1.42Å | 1.46Å | |
| C21 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| F28 | C27 | sing | 1.35Å | 1.33Å | |
| C22 | C17 | sing | 1.51Å | 1.49Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| S2 | N29 | sing | 1.66Å | 1.64Å | |
| S2 | C3 | sing | 1.76Å | 1.80Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | N16 | sing | 1.47Å | 1.48Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C27 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| N16 | C15 | sing | 1.40Å | 1.42Å | |
| C15 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | F5 | sing | 1.35Å | 1.35Å | |
| C4 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | S9 | sing | 1.76Å | 1.81Å | |
| C6 | F7 | sing | 1.35Å | 1.37Å | |
| O14 | S9 | doub | 1.42Å | 1.56Å | |
| O10 | S9 | doub | 1.42Å | 1.56Å | |
| S9 | C11 | sing | 1.81Å | 1.78Å | |
| O13 | C12 | sing | 1.43Å | 1.37Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| N29 | H16 | sing | 0.97Å | 1.00Å | |
| N29 | H17 | sing | 0.97Å | 1.00Å | |
| O13 | H18 | sing | 0.97Å | 0.95Å | |
| N16 | H19 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | S2 | O30 | 111.8° | 123.1° |
| O1 | S2 | N29 | 106.8° | 106.4° |
| O1 | S2 | C3 | 109.8° | 106.4° |
| C24 | C25 | C26 | 121.0° | 119.8° |
| C25 | C24 | C23 | 119.6° | 119.8° |
| C25 | C24 | H13 | 120.2° | 120.1° |
| C24 | C25 | H14 | 119.5° | 120.1° |
| C25 | C26 | C21 | 119.8° | 120.5° |
| C26 | C25 | H14 | 119.5° | 120.1° |
| C25 | C26 | H15 | 120.1° | 119.8° |
| C24 | C23 | C22 | 119.4° | 120.5° |
| C24 | C23 | H12 | 120.3° | 119.8° |
| C23 | C24 | H13 | 120.2° | 120.1° |
| C26 | C21 | C22 | 118.9° | 119.7° |
| C26 | C21 | C20 | 120.1° | 117.7° |
| C21 | C26 | H15 | 120.1° | 119.7° |
| C23 | C22 | C21 | 121.3° | 119.7° |
| C23 | C22 | C17 | 117.7° | 117.7° |
| C22 | C23 | H12 | 120.3° | 119.7° |
| O30 | S2 | N29 | 110.6° | 106.4° |
| O30 | S2 | C3 | 109.2° | 106.4° |
| C22 | C21 | C20 | 121.0° | 122.5° |
| C21 | C22 | C17 | 121.0° | 122.6° |
| C21 | C20 | C19 | 111.7° | 110.6° |
| C21 | C20 | H10 | 108.9° | 109.3° |
| C21 | C20 | H11 | 108.9° | 109.2° |
| F28 | C27 | C3 | 116.7° | 120.0° |
| F28 | C27 | C15 | 118.7° | 120.0° |
| C22 | C17 | C18 | 116.5° | 110.6° |
| C22 | C17 | N16 | 105.9° | 109.3° |
| C22 | C17 | H5 | 106.3° | 109.2° |
| C20 | C19 | C18 | 109.4° | 108.4° |
| C20 | C19 | H8 | 109.5° | 109.6° |
| C20 | C19 | H9 | 109.5° | 109.7° |
| C19 | C20 | H10 | 108.9° | 109.2° |
| C19 | C20 | H11 | 108.9° | 109.2° |
| N29 | S2 | C3 | 108.5° | 107.2° |
| S2 | N29 | H16 | 109.5° | 120.0° |
| S2 | N29 | H17 | 109.4° | 120.0° |
| S2 | C3 | C27 | 120.2° | 120.0° |
| S2 | C3 | C4 | 124.6° | 120.0° |
| C18 | C17 | N16 | 115.1° | 109.2° |
| C17 | C18 | C19 | 111.5° | 108.4° |
| C18 | C17 | H5 | 105.9° | 109.3° |
| C17 | C18 | H6 | 109.0° | 109.7° |
| C17 | C18 | H7 | 109.0° | 109.7° |
| C17 | N16 | C15 | 121.2° | 111.0° |
| N16 | C17 | H5 | 106.5° | 109.2° |
| C17 | N16 | H19 | 106.5° | 110.9° |
| C19 | C18 | H6 | 109.0° | 109.7° |
| C19 | C18 | H7 | 108.9° | 109.7° |
| C18 | C19 | H8 | 109.5° | 109.7° |
| C18 | C19 | H9 | 109.5° | 109.7° |
| C3 | C27 | C15 | 124.5° | 119.9° |
| C27 | C3 | C4 | 115.1° | 120.1° |
| C27 | C15 | N16 | 118.0° | 120.0° |
| C27 | C15 | C8 | 120.1° | 119.9° |
| C3 | C4 | F5 | 122.4° | 119.9° |
| C3 | C4 | C6 | 122.1° | 120.1° |
| N16 | C15 | C8 | 121.6° | 120.0° |
| C15 | N16 | H19 | 106.5° | 111.0° |
| C15 | C8 | C6 | 116.6° | 119.9° |
| C15 | C8 | S9 | 126.9° | 120.0° |
| F5 | C4 | C6 | 115.5° | 120.0° |
| C4 | C6 | C8 | 121.5° | 120.1° |
| C4 | C6 | F7 | 120.7° | 120.0° |
| C6 | C8 | S9 | 116.6° | 120.0° |
| C8 | C6 | F7 | 117.8° | 120.0° |
| C8 | S9 | O14 | 116.6° | 104.3° |
| C8 | S9 | O10 | 111.1° | 104.3° |
| C8 | S9 | C11 | 114.1° | 104.5° |
| O14 | S9 | O10 | 93.7° | 121.0° |
| O14 | S9 | C11 | 107.7° | 110.6° |
| O10 | S9 | C11 | 111.8° | 110.5° |
| S9 | C11 | C12 | 106.9° | 109.5° |
| S9 | C11 | H1 | 110.1° | 109.5° |
| S9 | C11 | H2 | 110.1° | 109.5° |
| O13 | C12 | C11 | 110.3° | 109.5° |
| O13 | C12 | H3 | 109.3° | 109.5° |
| O13 | C12 | H4 | 109.3° | 109.5° |
| C12 | O13 | H18 | 109.5° | 114.0° |
| C12 | C11 | H1 | 110.1° | 109.5° |
| C12 | C11 | H2 | 110.1° | 109.4° |
| C11 | C12 | H3 | 109.3° | 109.4° |
| C11 | C12 | H4 | 109.3° | 109.5° |
| H1 | C11 | H2 | 109.5° | 109.4° |
| H3 | C12 | H4 | 109.4° | 109.5° |
| H6 | C18 | H7 | 109.5° | 109.7° |
| H8 | C19 | H9 | 109.4° | 109.7° |
| H10 | C20 | H11 | 109.5° | 109.3° |
| H16 | N29 | H17 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | S2 | O30 | N29 | 118.9° | 123.0° |
| O1 | S2 | O30 | C3 | 121.7° | 122.9° |
| O1 | S2 | N29 | C3 | 118.3° | 113.6° |
| O1 | S2 | C3 | C27 | 66.3° | 156.2° |
| O1 | S2 | C3 | C4 | 116.3° | 23.6° |
| O1 | S2 | N29 | H16 | 180.0° | 66.4° |
| O1 | S2 | N29 | H17 | 60.0° | 113.6° |
| C24 | C25 | C26 | H14 | 180.0° | 179.9° |
| C25 | C24 | C23 | H13 | 180.0° | 180.0° |
| C24 | C25 | C26 | C21 | 0.4° | 0.1° |
| C25 | C24 | C23 | C22 | 0.8° | 0.0° |
| C25 | C24 | C23 | H12 | 179.1° | 180.0° |
| C24 | C25 | C26 | H15 | 179.6° | 179.9° |
| C26 | C25 | C24 | C23 | 0.3° | 0.1° |
| C25 | C26 | C21 | H15 | 180.0° | 179.9° |
| C25 | C26 | C21 | C22 | 0.5° | 0.2° |
| C25 | C26 | C21 | C20 | 179.0° | 179.7° |
| C26 | C25 | C24 | H13 | 179.7° | 179.9° |
| C24 | C23 | C22 | H12 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.7° | 0.2° |
| C24 | C23 | C22 | C17 | 178.6° | 179.7° |
| C23 | C24 | C25 | H14 | 179.7° | 179.9° |
| C26 | C21 | C22 | C23 | 0.0° | 0.3° |
| C26 | C21 | C22 | C20 | 179.5° | 179.9° |
| C26 | C21 | C22 | C17 | 177.9° | 179.7° |
| C26 | C21 | C20 | C19 | 152.0° | 162.6° |
| C26 | C21 | C20 | H10 | 31.7° | 42.3° |
| C26 | C21 | C20 | H11 | 87.6° | 77.1° |
| C21 | C26 | C25 | H14 | 179.6° | 180.0° |
| C23 | C22 | C21 | C17 | 177.8° | 180.0° |
| C23 | C22 | C21 | C20 | 179.6° | 179.6° |
| C23 | C22 | C17 | C18 | 177.0° | 162.3° |
| C23 | C22 | C17 | N16 | 53.6° | 42.1° |
| C23 | C22 | C17 | H5 | 59.4° | 77.4° |
| C22 | C23 | C24 | H13 | 179.1° | 180.0° |
| O30 | S2 | N29 | C3 | 119.8° | 113.5° |
| O30 | S2 | C3 | C27 | 56.6° | 23.3° |
| O30 | S2 | C3 | C4 | 120.8° | 156.5° |
| O30 | S2 | N29 | H16 | 58.1° | 66.5° |
| O30 | S2 | N29 | H17 | 178.2° | 113.5° |
| C22 | C21 | C20 | C19 | 28.4° | 17.5° |
| C21 | C22 | C17 | C18 | 5.1° | 17.7° |
| C21 | C22 | C17 | N16 | 124.3° | 138.0° |
| C21 | C22 | C17 | H5 | 122.7° | 102.6° |
| C22 | C21 | C20 | H10 | 148.8° | 137.8° |
| C22 | C21 | C20 | H11 | 91.9° | 102.7° |
| C21 | C22 | C23 | H12 | 179.3° | 179.8° |
| C22 | C21 | C26 | H15 | 179.5° | 179.7° |
| C20 | C21 | C22 | C17 | 2.6° | 0.5° |
| C21 | C20 | C19 | H10 | 120.3° | 120.3° |
| C21 | C20 | C19 | H11 | 120.3° | 120.2° |
| C21 | C20 | C19 | C18 | 56.1° | 51.0° |
| C21 | C20 | C19 | H8 | 63.9° | 68.7° |
| C21 | C20 | C19 | H9 | 176.1° | 170.7° |
| C21 | C20 | H10 | H11 | 119.0° | 119.4° |
| C20 | C21 | C26 | H15 | 1.0° | 0.4° |
| F28 | C27 | C3 | S2 | 2.2° | 0.2° |
| F28 | C27 | C3 | C15 | 176.1° | 179.9° |
| F28 | C27 | C3 | C4 | 175.4° | 180.0° |
| F28 | C27 | C15 | N16 | 7.1° | 0.1° |
| F28 | C27 | C15 | C8 | 178.5° | 180.0° |
| C22 | C17 | C18 | N16 | 124.8° | 120.3° |
| C22 | C17 | C18 | H5 | 117.9° | 120.3° |
| C22 | C17 | N16 | H5 | 112.9° | 119.5° |
| C22 | C17 | C18 | C19 | 33.7° | 51.2° |
| C22 | C17 | N16 | C15 | 162.5° | 136.8° |
| C22 | C17 | C18 | H6 | 86.7° | 170.9° |
| C22 | C17 | C18 | H7 | 153.9° | 68.6° |
| C17 | C22 | C23 | H12 | 1.4° | 0.3° |
| C22 | C17 | N16 | H19 | 40.9° | 12.8° |
| C20 | C19 | C18 | C17 | 58.9° | 69.9° |
| C20 | C19 | C18 | H8 | 120.0° | 119.6° |
| C20 | C19 | C18 | H9 | 120.0° | 119.8° |
| C20 | C19 | C18 | H6 | 61.4° | 170.4° |
| C20 | C19 | C18 | H7 | 179.2° | 49.9° |
| C20 | C19 | H8 | H9 | 120.0° | 120.6° |
| C19 | C20 | H10 | H11 | 119.0° | 119.4° |
| N29 | S2 | C3 | C27 | 177.3° | 90.2° |
| N29 | S2 | C3 | C4 | 0.1° | 90.0° |
| S2 | N29 | H16 | H17 | 120.0° | 180.0° |
| S2 | C3 | C27 | C4 | 177.6° | 179.8° |
| S2 | C3 | C27 | C15 | 178.3° | 179.7° |
| S2 | C3 | C4 | F5 | 2.7° | 0.2° |
| S2 | C3 | C4 | C6 | 179.7° | 179.7° |
| C3 | S2 | N29 | H16 | 61.7° | 180.0° |
| C3 | S2 | N29 | H17 | 58.3° | 0.0° |
| C18 | C17 | N16 | H5 | 117.0° | 119.5° |
| C17 | C18 | C19 | H6 | 120.3° | 119.7° |
| C17 | C18 | C19 | H7 | 120.3° | 119.8° |
| C18 | C17 | N16 | C15 | 67.3° | 102.1° |
| C17 | C18 | H6 | H7 | 119.1° | 120.6° |
| C17 | C18 | C19 | H8 | 61.1° | 49.7° |
| C17 | C18 | C19 | H9 | 178.9° | 170.3° |
| C18 | C17 | N16 | H19 | 171.0° | 133.9° |
| N16 | C17 | C18 | C19 | 91.1° | 171.5° |
| C17 | N16 | C15 | C27 | 60.2° | 64.7° |
| C17 | N16 | C15 | H19 | 121.6° | 123.9° |
| C17 | N16 | C15 | C8 | 114.1° | 115.2° |
| N16 | C17 | C18 | H6 | 148.5° | 68.9° |
| N16 | C17 | C18 | H7 | 29.2° | 51.7° |
| C19 | C18 | C17 | H5 | 151.5° | 69.1° |
| C19 | C18 | H6 | H7 | 119.1° | 120.5° |
| C18 | C19 | H8 | H9 | 120.0° | 120.5° |
| C18 | C19 | C20 | H10 | 176.5° | 171.3° |
| C18 | C19 | C20 | H11 | 64.2° | 69.3° |
| C3 | C27 | C15 | N16 | 176.9° | 180.0° |
| C3 | C27 | C15 | C8 | 2.6° | 0.0° |
| C27 | C3 | C4 | F5 | 179.8° | 180.0° |
| C27 | C3 | C4 | C6 | 2.2° | 0.1° |
| C15 | C27 | C3 | C4 | 0.7° | 0.1° |
| C27 | C15 | N16 | C8 | 174.2° | 179.9° |
| C27 | C15 | C8 | C6 | 4.0° | 0.0° |
| C27 | C15 | C8 | S9 | 176.8° | 180.0° |
| C27 | C15 | N16 | H19 | 61.4° | 59.2° |
| C3 | C4 | F5 | C6 | 177.7° | 179.9° |
| C3 | C4 | C6 | C8 | 0.7° | 0.0° |
| C3 | C4 | C6 | F7 | 179.5° | 180.0° |
| N16 | C15 | C8 | C6 | 178.1° | 180.0° |
| N16 | C15 | C8 | S9 | 2.7° | 0.0° |
| C15 | N16 | C17 | H5 | 49.6° | 17.3° |
| C15 | C8 | C6 | C4 | 2.5° | 0.0° |
| C15 | C8 | C6 | S9 | 179.2° | 180.0° |
| C15 | C8 | C6 | F7 | 177.3° | 180.0° |
| C15 | C8 | S9 | O14 | 2.9° | 15.4° |
| C15 | C8 | S9 | O10 | 102.8° | 143.2° |
| C15 | C8 | S9 | C11 | 129.6° | 100.7° |
| C8 | C15 | N16 | H19 | 124.3° | 120.9° |
| F5 | C4 | C6 | C8 | 178.4° | 180.0° |
| F5 | C4 | C6 | F7 | 1.8° | 0.1° |
| C4 | C6 | C8 | F7 | 179.8° | 180.0° |
| C4 | C6 | C8 | S9 | 178.2° | 180.0° |
| C6 | C8 | S9 | O14 | 176.2° | 164.6° |
| C6 | C8 | S9 | O10 | 78.0° | 36.8° |
| C6 | C8 | S9 | C11 | 49.6° | 79.3° |
| S9 | C8 | C6 | F7 | 1.9° | 0.0° |
| C8 | S9 | O14 | O10 | 115.9° | 116.8° |
| C8 | S9 | O14 | C11 | 129.8° | 111.8° |
| C8 | S9 | O10 | C11 | 128.8° | 111.8° |
| C8 | S9 | C11 | C12 | 58.0° | 176.9° |
| C8 | S9 | C11 | H1 | 177.5° | 63.1° |
| C8 | S9 | C11 | H2 | 61.6° | 56.8° |
| O14 | S9 | O10 | C11 | 110.7° | 131.5° |
| O14 | S9 | C11 | C12 | 73.2° | 71.5° |
| O14 | S9 | C11 | H1 | 46.3° | 48.6° |
| O14 | S9 | C11 | H2 | 167.2° | 168.5° |
| O10 | S9 | C11 | C12 | 174.8° | 65.2° |
| O10 | S9 | C11 | H1 | 55.3° | 174.7° |
| O10 | S9 | C11 | H2 | 65.6° | 54.8° |
| S9 | C11 | C12 | O13 | 91.2° | 180.0° |
| S9 | C11 | C12 | H1 | 119.6° | 120.1° |
| S9 | C11 | C12 | H2 | 119.6° | 120.0° |
| S9 | C11 | H1 | H2 | 121.2° | 120.0° |
| S9 | C11 | C12 | H3 | 148.7° | 60.0° |
| S9 | C11 | C12 | H4 | 29.0° | 60.0° |
| O13 | C12 | C11 | H3 | 120.1° | 120.0° |
| O13 | C12 | C11 | H4 | 120.2° | 120.0° |
| O13 | C12 | C11 | H1 | 149.2° | 59.9° |
| O13 | C12 | C11 | H2 | 28.4° | 60.0° |
| O13 | C12 | H3 | H4 | 119.6° | 120.0° |
| C12 | C11 | H1 | H2 | 121.2° | 119.9° |
| C11 | C12 | H3 | H4 | 119.6° | 120.0° |
| C11 | C12 | O13 | H18 | 180.0° | 180.0° |
| H1 | C11 | C12 | H3 | 29.1° | 60.0° |
| H1 | C11 | C12 | H4 | 90.6° | 180.0° |
| H2 | C11 | C12 | H3 | 91.7° | 179.9° |
| H2 | C11 | C12 | H4 | 148.6° | 60.1° |
| H3 | C12 | O13 | H18 | 59.9° | 60.0° |
| H4 | C12 | O13 | H18 | 59.8° | 60.0° |
| H5 | C17 | C18 | H6 | 31.2° | 50.6° |
| H5 | C17 | C18 | H7 | 88.2° | 171.1° |
| H5 | C17 | N16 | H19 | 72.0° | 106.6° |
| H6 | C18 | C19 | H8 | 178.6° | 70.0° |
| H6 | C18 | C19 | H9 | 58.6° | 50.6° |
| H7 | C18 | C19 | H8 | 59.2° | 169.5° |
| H7 | C18 | C19 | H9 | 60.8° | 69.9° |
| H8 | C19 | C20 | H10 | 56.5° | 51.7° |
| H8 | C19 | C20 | H11 | 175.8° | 171.1° |
| H9 | C19 | C20 | H10 | 63.5° | 68.9° |
| H9 | C19 | C20 | H11 | 55.8° | 50.5° |
| H12 | C23 | C24 | H13 | 0.9° | 0.0° |
| H13 | C24 | C25 | H14 | 0.3° | 0.1° |
| H14 | C25 | C26 | H15 | 0.3° | 0.1° |
