O4Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | S02 | doub | 1.42Å | 1.63Å | |
| O03 | S02 | doub | 1.42Å | 1.63Å | |
| S02 | N01 | sing | 1.66Å | 1.68Å | |
| S02 | C05 | sing | 1.76Å | 1.80Å | |
| C05 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
| C08 | N11 | sing | 1.40Å | 1.46Å | |
| O13 | C12 | doub | 1.22Å | 1.18Å | |
| N11 | C12 | sing | 1.35Å | 1.45Å | |
| C12 | N14 | sing | 1.35Å | 1.45Å | |
| C15 | N14 | sing | 1.46Å | 1.45Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | N17 | sing | 1.47Å | 1.45Å | |
| N17 | C18 | sing | 1.47Å | 1.45Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | F25 | sing | 1.35Å | 1.37Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| N01 | H15 | sing | 0.97Å | 1.00Å | |
| N01 | H16 | sing | 0.97Å | 1.00Å | |
| N11 | H17 | sing | 0.97Å | 1.00Å | |
| N14 | H18 | sing | 0.97Å | 1.00Å | |
| N17 | H19 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | S02 | O03 | 115.6° | 123.2° |
| O04 | S02 | N01 | 112.7° | 106.4° |
| O04 | S02 | C05 | 107.0° | 106.4° |
| O03 | S02 | N01 | 106.9° | 106.4° |
| O03 | S02 | C05 | 105.8° | 106.4° |
| N01 | S02 | C05 | 108.4° | 107.2° |
| S02 | N01 | H15 | 109.5° | 120.0° |
| S02 | N01 | H16 | 109.5° | 120.0° |
| S02 | C05 | C10 | 120.3° | 119.9° |
| S02 | C05 | C06 | 118.4° | 119.9° |
| C10 | C05 | C06 | 121.3° | 120.1° |
| C05 | C10 | C09 | 119.2° | 120.1° |
| C05 | C10 | H1 | 120.4° | 119.9° |
| C05 | C06 | C07 | 119.1° | 120.1° |
| C05 | C06 | H5 | 120.4° | 120.0° |
| C10 | C09 | C08 | 119.7° | 120.0° |
| C09 | C10 | H1 | 120.4° | 120.0° |
| C10 | C09 | H7 | 120.1° | 120.0° |
| C06 | C07 | C08 | 120.3° | 119.9° |
| C07 | C06 | H5 | 120.5° | 120.0° |
| C06 | C07 | H6 | 119.9° | 120.0° |
| C09 | C08 | C07 | 120.4° | 119.8° |
| C09 | C08 | N11 | 121.9° | 120.1° |
| C08 | C09 | H7 | 120.1° | 120.0° |
| C07 | C08 | N11 | 117.8° | 120.1° |
| C08 | C07 | H6 | 119.8° | 120.0° |
| C08 | N11 | C12 | 122.6° | 120.0° |
| C08 | N11 | H17 | 118.7° | 120.0° |
| O13 | C12 | N11 | 121.6° | 120.0° |
| O13 | C12 | N14 | 117.7° | 120.0° |
| N11 | C12 | N14 | 120.7° | 120.0° |
| C12 | N11 | H17 | 118.7° | 120.0° |
| C12 | N14 | C15 | 116.0° | 120.1° |
| C12 | N14 | H18 | 122.0° | 120.0° |
| N14 | C15 | C16 | 111.9° | 109.5° |
| N14 | C15 | H8 | 108.9° | 109.5° |
| N14 | C15 | H9 | 108.9° | 109.4° |
| C15 | N14 | H18 | 122.0° | 120.0° |
| C15 | C16 | N17 | 108.3° | 109.5° |
| C15 | C16 | H2 | 109.8° | 109.4° |
| C15 | C16 | H3 | 109.8° | 109.5° |
| C16 | C15 | H8 | 108.9° | 109.5° |
| C16 | C15 | H9 | 108.9° | 109.4° |
| C16 | N17 | C18 | 111.2° | 111.0° |
| N17 | C16 | H2 | 109.7° | 109.5° |
| N17 | C16 | H3 | 109.7° | 109.5° |
| C16 | N17 | H19 | 109.0° | 111.0° |
| N17 | C18 | C19 | 108.4° | 109.4° |
| N17 | C18 | H10 | 109.7° | 109.5° |
| N17 | C18 | H11 | 109.7° | 109.5° |
| C18 | N17 | H19 | 109.0° | 111.0° |
| C18 | C19 | C20 | 119.7° | 120.0° |
| C18 | C19 | C24 | 120.1° | 120.0° |
| C19 | C18 | H10 | 109.7° | 109.5° |
| C19 | C18 | H11 | 109.7° | 109.5° |
| C19 | C20 | C21 | 120.0° | 120.0° |
| C20 | C19 | C24 | 120.2° | 120.0° |
| C19 | C20 | H4 | 120.0° | 120.0° |
| C20 | C21 | C22 | 119.7° | 120.1° |
| C21 | C20 | H4 | 120.0° | 119.9° |
| C20 | C21 | H12 | 120.2° | 120.0° |
| C19 | C24 | F25 | 120.3° | 120.1° |
| C19 | C24 | C23 | 119.6° | 119.9° |
| C21 | C22 | C23 | 120.0° | 120.0° |
| C22 | C21 | H12 | 120.1° | 120.0° |
| C21 | C22 | H13 | 120.0° | 120.0° |
| F25 | C24 | C23 | 120.1° | 120.0° |
| C24 | C23 | C22 | 120.3° | 120.0° |
| C24 | C23 | H14 | 119.8° | 120.0° |
| C23 | C22 | H13 | 120.0° | 120.0° |
| C22 | C23 | H14 | 119.8° | 120.0° |
| H2 | C16 | H3 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.4° | 109.5° |
| H10 | C18 | H11 | 109.5° | 109.5° |
| H15 | N01 | H16 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | S02 | O03 | N01 | 126.4° | 123.0° |
| O04 | S02 | O03 | C05 | 118.2° | 122.9° |
| O04 | S02 | N01 | C05 | 118.3° | 113.5° |
| O04 | S02 | C05 | C10 | 12.8° | 23.5° |
| O04 | S02 | C05 | C06 | 168.5° | 156.4° |
| O04 | S02 | N01 | H15 | 180.0° | 23.5° |
| O04 | S02 | N01 | H16 | 60.0° | 156.5° |
| O03 | S02 | N01 | C05 | 113.7° | 113.5° |
| O03 | S02 | C05 | C10 | 111.0° | 156.4° |
| O03 | S02 | C05 | C06 | 67.8° | 23.5° |
| O03 | S02 | N01 | H15 | 51.9° | 156.5° |
| O03 | S02 | N01 | H16 | 68.1° | 23.5° |
| N01 | S02 | C05 | C10 | 134.6° | 90.1° |
| N01 | S02 | C05 | C06 | 46.6° | 90.1° |
| S02 | N01 | H15 | H16 | 120.0° | 180.0° |
| S02 | C05 | C10 | C06 | 178.7° | 179.9° |
| S02 | C05 | C10 | C09 | 179.5° | 180.0° |
| S02 | C05 | C06 | C07 | 179.3° | 180.0° |
| S02 | C05 | C10 | H1 | 0.5° | 0.4° |
| S02 | C05 | C06 | H5 | 0.6° | 0.1° |
| C05 | S02 | N01 | H15 | 61.7° | 90.0° |
| C05 | S02 | N01 | H16 | 178.3° | 90.0° |
| C05 | C10 | C09 | H1 | 180.0° | 179.7° |
| C10 | C05 | C06 | C07 | 0.6° | 0.1° |
| C05 | C10 | C09 | C08 | 0.8° | 0.1° |
| C10 | C05 | C06 | H5 | 179.4° | 180.0° |
| C05 | C10 | C09 | H7 | 179.2° | 179.7° |
| C06 | C05 | C10 | C09 | 0.8° | 0.1° |
| C05 | C06 | C07 | H5 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.4° | 0.1° |
| C06 | C05 | C10 | H1 | 179.2° | 179.8° |
| C05 | C06 | C07 | H6 | 179.6° | 179.9° |
| C10 | C09 | C08 | H7 | 180.0° | 179.8° |
| C10 | C09 | C08 | C07 | 0.7° | 0.1° |
| C10 | C09 | C08 | N11 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.5° | 0.1° |
| C06 | C07 | C08 | H6 | 180.0° | 179.8° |
| C06 | C07 | C08 | N11 | 179.9° | 179.9° |
| C09 | C08 | C07 | N11 | 179.4° | 180.0° |
| C09 | C08 | N11 | C12 | 46.5° | 145.0° |
| C08 | C09 | C10 | H1 | 179.2° | 179.7° |
| C09 | C08 | C07 | H6 | 179.5° | 179.9° |
| C09 | C08 | N11 | H17 | 133.5° | 35.0° |
| C07 | C08 | N11 | C12 | 134.2° | 35.0° |
| C08 | C07 | C06 | H5 | 179.5° | 180.0° |
| C07 | C08 | C09 | H7 | 179.3° | 179.7° |
| C07 | C08 | N11 | H17 | 45.8° | 145.0° |
| C08 | N11 | C12 | O13 | 0.5° | 4.6° |
| C08 | N11 | C12 | H17 | 180.0° | 180.0° |
| C08 | N11 | C12 | N14 | 179.2° | 175.4° |
| N11 | C08 | C07 | H6 | 0.2° | 0.1° |
| N11 | C08 | C09 | H7 | 0.0° | 0.3° |
| O13 | C12 | N11 | N14 | 179.8° | 180.0° |
| O13 | C12 | N14 | C15 | 1.0° | 0.0° |
| O13 | C12 | N11 | H17 | 179.5° | 175.4° |
| O13 | C12 | N14 | H18 | 179.0° | 180.0° |
| N11 | C12 | N14 | C15 | 179.2° | 180.0° |
| N11 | C12 | N14 | H18 | 0.8° | 0.1° |
| C12 | N14 | C15 | H18 | 180.0° | 180.0° |
| C12 | N14 | C15 | C16 | 112.1° | 180.0° |
| C12 | N14 | C15 | H8 | 127.5° | 60.0° |
| C12 | N14 | C15 | H9 | 8.2° | 60.0° |
| N14 | C12 | N11 | H17 | 0.8° | 4.6° |
| N14 | C15 | C16 | H8 | 120.4° | 120.0° |
| N14 | C15 | C16 | H9 | 120.4° | 120.0° |
| N14 | C15 | C16 | N17 | 162.7° | 180.0° |
| N14 | C15 | C16 | H2 | 77.5° | 60.0° |
| N14 | C15 | C16 | H3 | 42.9° | 60.0° |
| N14 | C15 | H8 | H9 | 118.9° | 120.0° |
| C15 | C16 | N17 | H2 | 119.8° | 120.0° |
| C15 | C16 | N17 | H3 | 119.8° | 120.0° |
| C15 | C16 | N17 | C18 | 114.2° | 180.0° |
| C15 | C16 | H2 | H3 | 120.6° | 120.0° |
| C16 | C15 | H8 | H9 | 118.9° | 120.0° |
| C16 | C15 | N14 | H18 | 67.9° | 0.0° |
| C15 | C16 | N17 | H19 | 6.0° | 56.1° |
| C16 | N17 | C18 | H19 | 120.2° | 123.9° |
| C16 | N17 | C18 | C19 | 70.0° | 180.0° |
| N17 | C16 | H2 | H3 | 120.5° | 120.0° |
| N17 | C16 | C15 | H8 | 42.3° | 60.0° |
| N17 | C16 | C15 | H9 | 76.9° | 60.0° |
| C16 | N17 | C18 | H10 | 49.9° | 60.0° |
| C16 | N17 | C18 | H11 | 170.2° | 60.0° |
| N17 | C18 | C19 | H10 | 119.8° | 119.9° |
| N17 | C18 | C19 | H11 | 119.8° | 120.0° |
| N17 | C18 | C19 | C20 | 81.7° | 105.0° |
| N17 | C18 | C19 | C24 | 97.7° | 75.0° |
| C18 | N17 | C16 | H2 | 126.0° | 60.0° |
| C18 | N17 | C16 | H3 | 5.6° | 60.0° |
| N17 | C18 | H10 | H11 | 120.5° | 120.0° |
| C18 | C19 | C20 | C24 | 179.4° | 179.9° |
| C18 | C19 | C20 | C21 | 179.4° | 180.0° |
| C18 | C19 | C24 | F25 | 0.2° | 0.0° |
| C18 | C19 | C24 | C23 | 179.2° | 180.0° |
| C18 | C19 | C20 | H4 | 0.6° | 0.3° |
| C19 | C18 | H10 | H11 | 120.5° | 120.0° |
| C19 | C18 | N17 | H19 | 169.8° | 56.1° |
| C19 | C20 | C21 | H4 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.3° | 0.0° |
| C20 | C19 | C24 | F25 | 179.6° | 180.0° |
| C20 | C19 | C24 | C23 | 0.3° | 0.0° |
| C20 | C19 | C18 | H10 | 158.4° | 135.0° |
| C20 | C19 | C18 | H11 | 38.1° | 15.0° |
| C19 | C20 | C21 | H12 | 179.7° | 180.0° |
| C21 | C20 | C19 | C24 | 0.1° | 0.0° |
| C20 | C21 | C22 | H12 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.8° | 0.0° |
| C20 | C21 | C22 | H13 | 179.2° | 179.9° |
| C19 | C24 | F25 | C23 | 179.3° | 180.0° |
| C19 | C24 | C23 | C22 | 0.7° | 0.0° |
| C24 | C19 | C20 | H4 | 180.0° | 179.7° |
| C24 | C19 | C18 | H10 | 22.1° | 44.9° |
| C24 | C19 | C18 | H11 | 142.5° | 165.0° |
| C19 | C24 | C23 | H14 | 179.3° | 180.0° |
| C21 | C22 | C23 | C24 | 1.0° | 0.0° |
| C21 | C22 | C23 | H13 | 180.0° | 180.0° |
| C22 | C21 | C20 | H4 | 179.7° | 179.7° |
| C21 | C22 | C23 | H14 | 179.0° | 180.0° |
| F25 | C24 | C23 | C22 | 180.0° | 180.0° |
| F25 | C24 | C23 | H14 | 0.0° | 0.0° |
| C24 | C23 | C22 | H14 | 180.0° | 180.0° |
| C24 | C23 | C22 | H13 | 179.0° | 179.9° |
| C23 | C22 | C21 | H12 | 179.2° | 180.0° |
| H1 | C10 | C09 | H7 | 0.8° | 0.0° |
| H2 | C16 | C15 | H8 | 162.1° | 60.0° |
| H2 | C16 | C15 | H9 | 42.9° | 180.0° |
| H2 | C16 | N17 | H19 | 113.8° | 176.0° |
| H3 | C16 | C15 | H8 | 77.5° | 180.0° |
| H3 | C16 | C15 | H9 | 163.2° | 60.0° |
| H3 | C16 | N17 | H19 | 125.8° | 63.9° |
| H4 | C20 | C21 | H12 | 0.3° | 0.3° |
| H5 | C06 | C07 | H6 | 0.4° | 0.1° |
| H8 | C15 | N14 | H18 | 52.5° | 120.0° |
| H9 | C15 | N14 | H18 | 171.8° | 120.0° |
| H10 | C18 | N17 | H19 | 70.4° | 63.9° |
| H11 | C18 | N17 | H19 | 50.0° | 176.1° |
| H12 | C21 | C22 | H13 | 0.8° | 0.0° |
| H13 | C22 | C23 | H14 | 1.0° | 0.1° |
