ZIG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O33 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C15 | C2 | doub | 1.40Å | 1.37Å | Aromatic |
| C2 | C4 | sing | 1.36Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C19 | C4 | doub | 1.41Å | 1.37Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C17 | sing | 1.40Å | 1.37Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | C7 | doub | 1.39Å | 1.37Å | Aromatic |
| C7 | C9 | sing | 1.39Å | 1.37Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | N27 | sing | 1.32Å | 1.34Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | N26 | doub | 1.31Å | 1.33Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C22 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | C12 | doub | 1.39Å | 1.37Å | Aromatic |
| C12 | C21 | sing | 1.40Å | 1.38Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N29 | C13 | sing | 1.32Å | 1.34Å | Aromatic |
| C17 | C13 | doub | 1.40Å | 1.37Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| N28 | C14 | sing | 1.32Å | 1.33Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | C15 | sing | 1.48Å | 1.44Å | Aromatic |
| C16 | F34 | sing | 1.35Å | 1.34Å | |
| C17 | C18 | sing | 1.48Å | 1.44Å | Aromatic |
| C18 | C22 | sing | 1.42Å | 1.38Å | Aromatic |
| C22 | C19 | sing | 1.42Å | 1.38Å | Aromatic |
| C19 | N26 | sing | 1.34Å | 1.33Å | Aromatic |
| S36 | C20 | sing | 1.76Å | 1.76Å | |
| C20 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| N30 | C23 | sing | 1.40Å | 1.43Å | |
| C23 | C25 | sing | 1.40Å | 1.37Å | Aromatic |
| F35 | C24 | sing | 1.35Å | 1.34Å | |
| O33 | C25 | sing | 1.36Å | 1.38Å | |
| C25 | N28 | doub | 1.32Å | 1.33Å | Aromatic |
| N27 | N29 | doub | 1.28Å | 1.25Å | Aromatic |
| S36 | N30 | sing | 1.66Å | 1.71Å | |
| N30 | HN30 | sing | 0.97Å | 1.00Å | |
| O31 | S36 | doub | 1.42Å | 1.45Å | |
| S36 | O32 | doub | 1.42Å | 1.45Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O33 | C1 | H1 | 109.5° | 109.5° |
| O33 | C1 | H1A | 109.5° | 109.4° |
| O33 | C1 | H1B | 109.5° | 109.4° |
| C1 | O33 | C25 | 104.6° | 116.9° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.4° | 109.5° |
| C15 | C2 | C4 | 120.8° | 120.9° |
| C15 | C2 | H2 | 119.6° | 119.5° |
| C2 | C15 | C10 | 118.4° | 120.4° |
| C2 | C15 | C21 | 116.6° | 119.8° |
| C4 | C2 | H2 | 119.6° | 119.6° |
| C2 | C4 | C19 | 121.6° | 120.1° |
| C2 | C4 | H4 | 119.2° | 120.0° |
| C5 | C3 | C16 | 119.9° | 120.0° |
| C5 | C3 | H3 | 120.0° | 120.0° |
| C3 | C5 | C20 | 118.0° | 120.0° |
| C3 | C5 | H5 | 121.0° | 120.0° |
| C16 | C3 | H3 | 120.0° | 119.9° |
| C3 | C16 | C11 | 121.7° | 120.0° |
| C3 | C16 | F34 | 119.2° | 120.0° |
| C19 | C4 | H4 | 119.2° | 120.0° |
| C4 | C19 | C22 | 117.8° | 119.3° |
| C4 | C19 | N26 | 118.5° | 120.7° |
| C20 | C5 | H5 | 121.0° | 120.0° |
| C5 | C20 | S36 | 119.2° | 120.0° |
| C5 | C20 | C24 | 122.3° | 120.0° |
| C8 | C6 | C17 | 115.0° | 117.8° |
| C8 | C6 | H6 | 122.5° | 121.1° |
| C6 | C8 | N27 | 126.5° | 120.0° |
| C6 | C8 | H8 | 116.7° | 120.0° |
| C17 | C6 | H6 | 122.5° | 121.1° |
| C6 | C17 | C13 | 115.1° | 117.7° |
| C6 | C17 | C18 | 121.5° | 121.1° |
| C18 | C7 | C9 | 119.3° | 119.6° |
| C18 | C7 | H7 | 120.4° | 120.2° |
| C7 | C18 | C17 | 117.2° | 121.1° |
| C7 | C18 | C22 | 118.2° | 117.8° |
| C9 | C7 | H7 | 120.4° | 120.2° |
| C7 | C9 | N26 | 123.9° | 121.9° |
| C7 | C9 | H9 | 118.0° | 119.0° |
| N27 | C8 | H8 | 116.8° | 120.0° |
| C8 | N27 | N29 | 118.4° | 122.5° |
| N26 | C9 | H9 | 118.1° | 119.0° |
| C9 | N26 | C19 | 116.4° | 121.8° |
| C15 | C10 | C22 | 120.6° | 119.4° |
| C15 | C10 | H10 | 119.7° | 120.3° |
| C10 | C15 | C21 | 124.9° | 119.8° |
| C22 | C10 | H10 | 119.7° | 120.2° |
| C10 | C22 | C18 | 120.8° | 121.2° |
| C10 | C22 | C19 | 120.8° | 119.9° |
| C24 | C11 | C16 | 118.4° | 119.9° |
| C24 | C11 | H11 | 120.8° | 120.0° |
| C11 | C24 | C20 | 119.8° | 120.0° |
| C11 | C24 | F35 | 120.6° | 120.0° |
| C16 | C11 | H11 | 120.8° | 120.0° |
| C11 | C16 | F34 | 119.1° | 120.0° |
| C23 | C12 | C21 | 117.6° | 118.3° |
| C23 | C12 | H12 | 121.2° | 120.8° |
| C12 | C23 | N30 | 122.6° | 120.5° |
| C12 | C23 | C25 | 119.4° | 119.1° |
| C21 | C12 | H12 | 121.2° | 120.8° |
| C12 | C21 | C14 | 118.0° | 119.1° |
| C12 | C21 | C15 | 122.5° | 120.5° |
| N29 | C13 | C17 | 126.5° | 119.6° |
| N29 | C13 | H13 | 116.8° | 120.2° |
| C13 | N29 | N27 | 118.6° | 122.3° |
| C17 | C13 | H13 | 116.8° | 120.2° |
| C13 | C17 | C18 | 123.4° | 121.2° |
| C21 | C14 | N28 | 125.9° | 120.8° |
| C21 | C14 | H14 | 117.0° | 119.6° |
| C14 | C21 | C15 | 119.4° | 120.5° |
| N28 | C14 | H14 | 117.0° | 119.6° |
| C14 | N28 | C25 | 114.2° | 121.8° |
| C17 | C18 | C22 | 124.6° | 121.1° |
| C18 | C22 | C19 | 118.4° | 118.9° |
| C22 | C19 | N26 | 123.8° | 119.9° |
| S36 | C20 | C24 | 118.5° | 120.0° |
| C20 | S36 | N30 | 101.2° | 107.2° |
| C20 | S36 | O31 | 104.9° | 106.4° |
| C20 | S36 | O32 | 108.0° | 106.4° |
| C20 | C24 | F35 | 119.6° | 120.0° |
| N30 | C23 | C25 | 118.0° | 120.4° |
| C23 | N30 | S36 | 116.7° | 120.0° |
| C23 | N30 | HN30 | 107.1° | 120.0° |
| C23 | C25 | O33 | 117.2° | 119.6° |
| C23 | C25 | N28 | 124.8° | 120.8° |
| O33 | C25 | N28 | 117.9° | 119.6° |
| S36 | N30 | HN30 | 107.1° | 120.0° |
| N30 | S36 | O31 | 108.8° | 106.4° |
| N30 | S36 | O32 | 109.8° | 106.4° |
| O31 | S36 | O32 | 121.9° | 123.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O33 | C1 | H1 | H1A | 120.0° | 120.0° |
| O33 | C1 | H1 | H1B | 120.0° | 119.9° |
| O33 | C1 | H1A | H1B | 120.0° | 119.9° |
| C1 | O33 | C25 | C23 | 115.9° | 180.0° |
| C1 | O33 | C25 | N28 | 64.9° | 0.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | O33 | C25 | 180.0° | 60.0° |
| H1A | C1 | O33 | C25 | 60.0° | 60.1° |
| H1B | C1 | O33 | C25 | 60.0° | 180.0° |
| C15 | C2 | C4 | H2 | 180.0° | 179.7° |
| C15 | C2 | C4 | C19 | 0.4° | 0.3° |
| C15 | C2 | C4 | H4 | 179.6° | 179.8° |
| C2 | C15 | C10 | C21 | 177.9° | 179.9° |
| C2 | C15 | C10 | C22 | 0.1° | 0.6° |
| C2 | C15 | C10 | H10 | 179.9° | 180.0° |
| C2 | C15 | C21 | C12 | 137.5° | 0.1° |
| C2 | C15 | C21 | C14 | 39.8° | 180.0° |
| C2 | C4 | C19 | H4 | 180.0° | 179.9° |
| C4 | C2 | C15 | C10 | 0.4° | 0.0° |
| C4 | C2 | C15 | C21 | 177.6° | 180.0° |
| C2 | C4 | C19 | C22 | 0.2° | 0.0° |
| C2 | C4 | C19 | N26 | 180.0° | 179.9° |
| H2 | C2 | C4 | C19 | 179.6° | 180.0° |
| H2 | C2 | C4 | H4 | 0.4° | 0.1° |
| H2 | C2 | C15 | C10 | 179.5° | 179.7° |
| H2 | C2 | C15 | C21 | 2.4° | 0.3° |
| C5 | C3 | C16 | H3 | 180.0° | 179.7° |
| C3 | C5 | C20 | H5 | 180.0° | 179.9° |
| C5 | C3 | C16 | C11 | 0.0° | 0.3° |
| C5 | C3 | C16 | F34 | 179.9° | 179.7° |
| C3 | C5 | C20 | S36 | 179.8° | 179.9° |
| C3 | C5 | C20 | C24 | 0.1° | 0.0° |
| C16 | C3 | C5 | C20 | 0.0° | 0.1° |
| C16 | C3 | C5 | H5 | 180.0° | 180.0° |
| C3 | C16 | C11 | C24 | 0.1° | 0.6° |
| C3 | C16 | C11 | F34 | 180.0° | 180.0° |
| C3 | C16 | C11 | H11 | 180.0° | 180.0° |
| H3 | C3 | C5 | C20 | 180.0° | 179.7° |
| H3 | C3 | C5 | H5 | 0.0° | 0.3° |
| H3 | C3 | C16 | C11 | 180.0° | 180.0° |
| H3 | C3 | C16 | F34 | 0.1° | 0.0° |
| C4 | C19 | N26 | C9 | 179.9° | 180.0° |
| C4 | C19 | C22 | C10 | 0.7° | 0.5° |
| C4 | C19 | C22 | C18 | 179.8° | 179.8° |
| C4 | C19 | C22 | N26 | 179.8° | 180.0° |
| H4 | C4 | C19 | C22 | 179.8° | 180.0° |
| H4 | C4 | C19 | N26 | 0.0° | 0.0° |
| C5 | C20 | C24 | C11 | 0.2° | 0.2° |
| C5 | C20 | S36 | C24 | 179.7° | 179.9° |
| C5 | C20 | C24 | F35 | 179.9° | 180.0° |
| C5 | C20 | S36 | N30 | 43.7° | 115.0° |
| C5 | C20 | S36 | O31 | 69.5° | 131.5° |
| C5 | C20 | S36 | O32 | 159.0° | 1.5° |
| H5 | C5 | C20 | S36 | 0.2° | 0.0° |
| H5 | C5 | C20 | C24 | 179.8° | 179.9° |
| C8 | C6 | C17 | H6 | 180.0° | 179.7° |
| C6 | C8 | N27 | H8 | 180.0° | 179.9° |
| C8 | C6 | C17 | C13 | 0.2° | 0.3° |
| C8 | C6 | C17 | C18 | 178.6° | 179.7° |
| C6 | C8 | N27 | N29 | 0.3° | 0.1° |
| C6 | C17 | C18 | C7 | 53.1° | 50.0° |
| C17 | C6 | C8 | N27 | 0.4° | 0.1° |
| C17 | C6 | C8 | H8 | 179.6° | 179.9° |
| C6 | C17 | C13 | N29 | 0.0° | 0.5° |
| C6 | C17 | C13 | C18 | 178.3° | 180.0° |
| C6 | C17 | C13 | H13 | 180.0° | 180.0° |
| C6 | C17 | C18 | C22 | 127.3° | 129.4° |
| H6 | C6 | C8 | N27 | 179.6° | 179.7° |
| H6 | C6 | C8 | H8 | 0.4° | 0.2° |
| H6 | C6 | C17 | C13 | 179.7° | 180.0° |
| H6 | C6 | C17 | C18 | 1.4° | 0.0° |
| C18 | C7 | C9 | H7 | 180.0° | 179.8° |
| C18 | C7 | C9 | N26 | 0.1° | 0.3° |
| C18 | C7 | C9 | H9 | 179.9° | 180.0° |
| C7 | C18 | C22 | C10 | 179.6° | 179.7° |
| C7 | C18 | C17 | C13 | 125.1° | 130.0° |
| C7 | C18 | C17 | C22 | 179.6° | 179.4° |
| C7 | C18 | C22 | C19 | 0.4° | 0.5° |
| C7 | C9 | N26 | H9 | 180.0° | 179.7° |
| C9 | C7 | C18 | C17 | 179.9° | 180.0° |
| C9 | C7 | C18 | C22 | 0.3° | 0.5° |
| C7 | C9 | N26 | C19 | 0.0° | 0.0° |
| H7 | C7 | C9 | N26 | 180.0° | 179.9° |
| H7 | C7 | C9 | H9 | 0.0° | 0.2° |
| H7 | C7 | C18 | C17 | 0.1° | 0.2° |
| H7 | C7 | C18 | C22 | 179.7° | 179.7° |
| C8 | N27 | N29 | C13 | 0.0° | 0.2° |
| H8 | C8 | N27 | N29 | 179.7° | 180.0° |
| C9 | N26 | C19 | C22 | 0.1° | 0.0° |
| H9 | C9 | N26 | C19 | 180.0° | 179.7° |
| C15 | C10 | C22 | H10 | 180.0° | 179.4° |
| C10 | C15 | C21 | C12 | 40.4° | 180.0° |
| C10 | C15 | C21 | C14 | 142.3° | 0.0° |
| C15 | C10 | C22 | C18 | 179.8° | 179.9° |
| C15 | C10 | C22 | C19 | 0.7° | 0.8° |
| C22 | C10 | C15 | C21 | 177.9° | 179.5° |
| C10 | C22 | C18 | C17 | 0.8° | 0.8° |
| C10 | C22 | C18 | C19 | 179.1° | 179.2° |
| C10 | C22 | C19 | N26 | 179.5° | 179.5° |
| H10 | C10 | C15 | C21 | 2.0° | 0.0° |
| H10 | C10 | C22 | C18 | 0.2° | 0.5° |
| H10 | C10 | C22 | C19 | 179.3° | 179.7° |
| C24 | C11 | C16 | H11 | 180.0° | 179.4° |
| C24 | C11 | C16 | F34 | 180.0° | 179.5° |
| C11 | C24 | C20 | S36 | 179.9° | 179.7° |
| C11 | C24 | C20 | F35 | 179.9° | 179.8° |
| C16 | C11 | C24 | C20 | 0.2° | 0.5° |
| C16 | C11 | C24 | F35 | 179.9° | 179.7° |
| H11 | C11 | C16 | F34 | 0.0° | 0.1° |
| H11 | C11 | C24 | C20 | 179.9° | 179.9° |
| H11 | C11 | C24 | F35 | 0.1° | 0.3° |
| C23 | C12 | C21 | H12 | 180.0° | 179.7° |
| C23 | C12 | C21 | C14 | 0.6° | 0.3° |
| C23 | C12 | C21 | C15 | 177.9° | 179.7° |
| C12 | C23 | N30 | C25 | 178.7° | 180.0° |
| C12 | C23 | C25 | O33 | 179.7° | 180.0° |
| C12 | C23 | C25 | N28 | 1.1° | 0.0° |
| C12 | C23 | N30 | S36 | 31.4° | 35.0° |
| C12 | C23 | N30 | HN30 | 151.4° | 145.0° |
| C12 | C21 | C14 | C15 | 177.4° | 180.0° |
| C12 | C21 | C14 | N28 | 0.0° | 0.6° |
| C12 | C21 | C14 | H14 | 180.0° | 180.0° |
| C21 | C12 | C23 | N30 | 179.8° | 180.0° |
| C21 | C12 | C23 | C25 | 1.1° | 0.0° |
| H12 | C12 | C21 | C14 | 179.5° | 180.0° |
| H12 | C12 | C21 | C15 | 2.1° | 0.1° |
| H12 | C12 | C23 | N30 | 0.2° | 0.3° |
| H12 | C12 | C23 | C25 | 178.9° | 179.7° |
| N29 | C13 | C17 | H13 | 180.0° | 179.5° |
| N29 | C13 | C17 | C18 | 178.3° | 179.5° |
| C13 | C17 | C18 | C22 | 54.5° | 50.6° |
| C17 | C13 | N29 | N27 | 0.2° | 0.5° |
| H13 | C13 | C17 | C18 | 1.7° | 0.0° |
| H13 | C13 | N29 | N27 | 179.8° | 179.9° |
| C21 | C14 | N28 | H14 | 180.0° | 179.5° |
| C21 | C14 | N28 | C25 | 0.0° | 0.6° |
| N28 | C14 | C21 | C15 | 177.4° | 179.5° |
| C14 | N28 | C25 | C23 | 0.5° | 0.3° |
| C14 | N28 | C25 | O33 | 179.7° | 179.8° |
| H14 | C14 | C21 | C15 | 2.6° | 0.0° |
| H14 | C14 | N28 | C25 | 180.0° | 180.0° |
| C17 | C18 | C22 | C19 | 180.0° | 180.0° |
| C18 | C22 | C19 | N26 | 0.4° | 0.3° |
| C20 | S36 | N30 | C23 | 60.3° | 65.0° |
| S36 | C20 | C24 | F35 | 0.2° | 0.1° |
| C20 | S36 | N30 | O31 | 110.2° | 113.6° |
| C20 | S36 | N30 | O32 | 114.0° | 113.6° |
| C20 | S36 | N30 | HN30 | 59.7° | 115.0° |
| C20 | S36 | O31 | O32 | 122.9° | 123.0° |
| C24 | C20 | S36 | N30 | 136.6° | 65.1° |
| C24 | C20 | S36 | O31 | 110.2° | 48.5° |
| C24 | C20 | S36 | O32 | 21.3° | 178.6° |
| N30 | C23 | C25 | O33 | 0.9° | 0.0° |
| N30 | C23 | C25 | N28 | 179.9° | 180.0° |
| C23 | N30 | S36 | HN30 | 120.0° | 179.9° |
| C23 | N30 | S36 | O31 | 170.4° | 48.5° |
| C23 | N30 | S36 | O32 | 53.7° | 178.6° |
| C23 | C25 | O33 | N28 | 179.2° | 180.0° |
| C25 | C23 | N30 | S36 | 149.9° | 145.0° |
| C25 | C23 | N30 | HN30 | 29.9° | 35.0° |
| N30 | S36 | O31 | O32 | 129.4° | 122.9° |
| HN30 | N30 | S36 | O31 | 50.5° | 131.4° |
| HN30 | N30 | S36 | O32 | 173.7° | 1.5° |
