MEY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C4 | sing | 1.36Å | 1.38Å | Aromatic |
| C2 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C3 | C6 | doub | 1.36Å | 1.38Å | Aromatic |
| C3 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C13 | doub | 1.41Å | 1.38Å | Aromatic |
| C5 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C13 | sing | 1.41Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | C21 | doub | 1.36Å | 1.38Å | Aromatic |
| C10 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.42Å | 1.39Å | Aromatic |
| C14 | C21 | sing | 1.41Å | 1.39Å | Aromatic |
| C15 | C24 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | doub | 1.40Å | 1.37Å | Aromatic |
| C16 | N26 | sing | 1.39Å | 1.40Å | |
| C17 | N25 | sing | 1.39Å | 1.42Å | |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | N26 | sing | 1.40Å | 1.42Å | |
| C19 | O31 | sing | 1.36Å | 1.38Å | |
| C20 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | O32 | sing | 1.36Å | 1.39Å | |
| C21 | S33 | sing | 1.76Å | 1.79Å | |
| C22 | CL34 | sing | 1.74Å | 1.75Å | |
| C23 | N25 | sing | 1.35Å | 1.39Å | |
| C23 | N26 | sing | 1.35Å | 1.39Å | |
| C23 | O28 | doub | 1.22Å | 1.22Å | |
| C24 | N27 | sing | 1.47Å | 1.49Å | |
| N27 | S33 | sing | 1.66Å | 1.71Å | |
| O29 | S33 | doub | 1.42Å | 1.45Å | |
| O30 | S33 | doub | 1.42Å | 1.44Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| N25 | HN25 | sing | 0.97Å | 1.00Å | |
| N27 | HN27 | sing | 0.97Å | 1.00Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C4 | 120.4° | 121.0° |
| C1 | C2 | C5 | 119.1° | 121.0° |
| C2 | C1 | H1 | 119.8° | 119.5° |
| C1 | C2 | H2 | 120.5° | 119.5° |
| C1 | C4 | C13 | 120.0° | 119.7° |
| C4 | C1 | H1 | 119.8° | 119.5° |
| C1 | C4 | H4 | 120.0° | 120.2° |
| C2 | C5 | C14 | 120.6° | 119.7° |
| C5 | C2 | H2 | 120.5° | 119.5° |
| C2 | C5 | H5 | 119.7° | 120.2° |
| C6 | C3 | C9 | 118.8° | 121.0° |
| C3 | C6 | C13 | 121.7° | 119.6° |
| C6 | C3 | H3 | 120.6° | 119.5° |
| C3 | C6 | H6 | 119.2° | 120.2° |
| C3 | C9 | C21 | 119.2° | 121.0° |
| C9 | C3 | H3 | 120.6° | 119.5° |
| C3 | C9 | H9 | 120.4° | 119.5° |
| C4 | C13 | C6 | 119.4° | 121.3° |
| C4 | C13 | C14 | 120.1° | 119.3° |
| C13 | C4 | H4 | 120.0° | 120.2° |
| C5 | C14 | C13 | 119.8° | 119.4° |
| C5 | C14 | C21 | 123.5° | 121.3° |
| C14 | C5 | H5 | 119.7° | 120.2° |
| C6 | C13 | C14 | 120.5° | 119.4° |
| C13 | C6 | H6 | 119.1° | 120.2° |
| C8 | C7 | C15 | 122.9° | 120.3° |
| C7 | C8 | C16 | 116.4° | 119.8° |
| C8 | C7 | H7 | 118.6° | 119.8° |
| C7 | C8 | H8 | 121.8° | 120.1° |
| C7 | C15 | C10 | 119.4° | 120.3° |
| C7 | C15 | C24 | 121.0° | 119.8° |
| C15 | C7 | H7 | 118.6° | 119.9° |
| C8 | C16 | C17 | 121.0° | 119.8° |
| C8 | C16 | N26 | 131.2° | 133.3° |
| C16 | C8 | H8 | 121.8° | 120.1° |
| C9 | C21 | C14 | 123.0° | 119.7° |
| C9 | C21 | S33 | 114.0° | 120.2° |
| C21 | C9 | H9 | 120.4° | 119.5° |
| C15 | C10 | C17 | 117.5° | 119.8° |
| C10 | C15 | C24 | 119.6° | 119.9° |
| C15 | C10 | H10 | 121.3° | 120.1° |
| C10 | C17 | C16 | 122.7° | 119.9° |
| C10 | C17 | N25 | 128.8° | 133.3° |
| C17 | C10 | H10 | 121.3° | 120.1° |
| C18 | C11 | C22 | 119.8° | 120.0° |
| C11 | C18 | C19 | 119.1° | 119.9° |
| C11 | C18 | N26 | 121.0° | 120.0° |
| C18 | C11 | H11 | 120.1° | 120.0° |
| C11 | C22 | C20 | 120.5° | 120.1° |
| C11 | C22 | CL34 | 119.3° | 119.9° |
| C22 | C11 | H11 | 120.1° | 120.0° |
| C19 | C12 | C20 | 118.9° | 120.0° |
| C12 | C19 | C18 | 121.1° | 119.9° |
| C12 | C19 | O31 | 119.9° | 120.1° |
| C19 | C12 | H12 | 120.6° | 120.0° |
| C12 | C20 | C22 | 120.2° | 120.0° |
| C12 | C20 | O32 | 120.4° | 120.0° |
| C20 | C12 | H12 | 120.6° | 120.0° |
| C13 | C14 | C21 | 116.7° | 119.3° |
| C14 | C21 | S33 | 122.9° | 120.2° |
| C15 | C24 | N27 | 113.3° | 109.4° |
| C15 | C24 | H24 | 108.2° | 109.4° |
| C15 | C24 | H24A | 108.2° | 109.5° |
| C17 | C16 | N26 | 107.7° | 106.8° |
| C16 | C17 | N25 | 108.5° | 106.8° |
| C16 | N26 | C18 | 124.7° | 125.9° |
| C16 | N26 | C23 | 108.7° | 108.3° |
| C17 | N25 | C23 | 107.3° | 108.4° |
| C17 | N25 | HN25 | 126.3° | 125.9° |
| C19 | C18 | N26 | 119.6° | 120.0° |
| C18 | C19 | O31 | 118.9° | 120.0° |
| C18 | N26 | C23 | 126.2° | 125.8° |
| C19 | O31 | HO31 | 109.5° | 114.0° |
| C22 | C20 | O32 | 119.3° | 119.9° |
| C20 | C22 | CL34 | 120.2° | 120.0° |
| C20 | O32 | HO32 | 109.5° | 114.0° |
| C21 | S33 | N27 | 105.5° | 107.2° |
| C21 | S33 | O29 | 109.6° | 106.4° |
| C21 | S33 | O30 | 105.8° | 106.4° |
| N25 | C23 | N26 | 107.7° | 109.7° |
| N25 | C23 | O28 | 127.1° | 125.1° |
| C23 | N25 | HN25 | 126.3° | 125.8° |
| N26 | C23 | O28 | 125.1° | 125.2° |
| C24 | N27 | S33 | 115.6° | 120.0° |
| N27 | C24 | H24 | 108.2° | 109.5° |
| N27 | C24 | H24A | 108.2° | 109.5° |
| C24 | N27 | HN27 | 107.5° | 120.0° |
| N27 | S33 | O29 | 105.9° | 106.4° |
| N27 | S33 | O30 | 109.2° | 106.4° |
| S33 | N27 | HN27 | 107.5° | 120.1° |
| O29 | S33 | O30 | 120.0° | 123.2° |
| H24 | C24 | H24A | 110.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C4 | H1 | 180.0° | 179.6° |
| C1 | C2 | C5 | H2 | 180.0° | 179.9° |
| C2 | C1 | C4 | C13 | 0.2° | 0.1° |
| C1 | C2 | C5 | C14 | 0.3° | 0.1° |
| C2 | C1 | C4 | H4 | 179.8° | 179.9° |
| C1 | C2 | C5 | H5 | 179.7° | 179.9° |
| C4 | C1 | C2 | C5 | 0.5° | 0.1° |
| C1 | C4 | C13 | H4 | 180.0° | 180.0° |
| C1 | C4 | C13 | C6 | 179.8° | 180.0° |
| C1 | C4 | C13 | C14 | 1.7° | 0.0° |
| C4 | C1 | C2 | H2 | 179.5° | 180.0° |
| C2 | C5 | C14 | H5 | 180.0° | 180.0° |
| C2 | C5 | C14 | C13 | 1.7° | 0.1° |
| C2 | C5 | C14 | C21 | 179.6° | 180.0° |
| C5 | C2 | C1 | H1 | 179.5° | 179.8° |
| C6 | C3 | C9 | H3 | 180.0° | 180.0° |
| C3 | C6 | C13 | C4 | 179.3° | 180.0° |
| C3 | C6 | C13 | H6 | 180.0° | 180.0° |
| C6 | C3 | C9 | C21 | 0.4° | 0.0° |
| C3 | C6 | C13 | C14 | 1.2° | 0.0° |
| C6 | C3 | C9 | H9 | 179.6° | 179.9° |
| C9 | C3 | C6 | C13 | 0.3° | 0.0° |
| C3 | C9 | C21 | H9 | 180.0° | 179.9° |
| C3 | C9 | C21 | C14 | 0.1° | 0.0° |
| C3 | C9 | C21 | S33 | 177.6° | 180.0° |
| C9 | C3 | C6 | H6 | 179.7° | 180.0° |
| C4 | C13 | C14 | C5 | 2.5° | 0.0° |
| C4 | C13 | C6 | C14 | 178.1° | 180.0° |
| C4 | C13 | C14 | C21 | 179.5° | 180.0° |
| C13 | C4 | C1 | H1 | 179.8° | 179.7° |
| C4 | C13 | C6 | H6 | 0.7° | 0.0° |
| C5 | C14 | C13 | C6 | 179.5° | 180.0° |
| C5 | C14 | C21 | C9 | 178.7° | 180.0° |
| C5 | C14 | C13 | C21 | 178.0° | 180.0° |
| C5 | C14 | C21 | S33 | 1.5° | 0.0° |
| C14 | C5 | C2 | H2 | 179.8° | 180.0° |
| C6 | C13 | C14 | C21 | 1.4° | 0.0° |
| C13 | C6 | C3 | H3 | 179.7° | 180.0° |
| C6 | C13 | C4 | H4 | 0.2° | 0.0° |
| C8 | C7 | C15 | H7 | 180.0° | 179.8° |
| C7 | C8 | C16 | H8 | 180.0° | 180.0° |
| C8 | C7 | C15 | C10 | 2.5° | 0.0° |
| C8 | C7 | C15 | C24 | 178.0° | 180.0° |
| C7 | C8 | C16 | C17 | 0.7° | 0.0° |
| C7 | C8 | C16 | N26 | 177.0° | 180.0° |
| C15 | C7 | C8 | C16 | 1.7° | 0.0° |
| C7 | C15 | C10 | C24 | 179.5° | 180.0° |
| C7 | C15 | C10 | C17 | 1.0° | 0.0° |
| C7 | C15 | C24 | N27 | 37.9° | 90.0° |
| C15 | C7 | C8 | H8 | 178.3° | 179.9° |
| C7 | C15 | C10 | H10 | 179.0° | 180.0° |
| C7 | C15 | C24 | H24 | 157.9° | 150.0° |
| C7 | C15 | C24 | H24A | 82.1° | 30.0° |
| C8 | C16 | C17 | C10 | 2.2° | 0.0° |
| C8 | C16 | C17 | N26 | 177.1° | 180.0° |
| C8 | C16 | C17 | N25 | 177.8° | 180.0° |
| C8 | C16 | N26 | C18 | 9.1° | 0.0° |
| C8 | C16 | N26 | C23 | 176.7° | 180.0° |
| C16 | C8 | C7 | H7 | 178.3° | 179.7° |
| C9 | C21 | C14 | C13 | 0.8° | 0.0° |
| C9 | C21 | C14 | S33 | 177.3° | 180.0° |
| C9 | C21 | S33 | N27 | 108.0° | 116.0° |
| C9 | C21 | S33 | O29 | 138.4° | 2.5° |
| C9 | C21 | S33 | O30 | 7.7° | 130.5° |
| C21 | C9 | C3 | H3 | 179.6° | 180.0° |
| C15 | C10 | C17 | H10 | 180.0° | 180.0° |
| C15 | C10 | C17 | C16 | 1.3° | 0.0° |
| C15 | C10 | C17 | N25 | 178.7° | 179.9° |
| C10 | C15 | C24 | N27 | 142.6° | 90.0° |
| C10 | C15 | C7 | H7 | 177.5° | 179.7° |
| C10 | C15 | C24 | H24 | 22.6° | 30.0° |
| C10 | C15 | C24 | H24A | 97.4° | 150.0° |
| C17 | C10 | C15 | C24 | 179.5° | 180.0° |
| C10 | C17 | C16 | N25 | 180.0° | 180.0° |
| C10 | C17 | C16 | N26 | 179.3° | 180.0° |
| C10 | C17 | N25 | C23 | 178.8° | 180.0° |
| C10 | C17 | N25 | HN25 | 1.2° | 0.1° |
| C18 | C11 | C22 | H11 | 180.0° | 179.8° |
| C11 | C18 | C19 | C12 | 4.2° | 0.0° |
| C11 | C18 | N26 | C16 | 64.6° | 90.0° |
| C11 | C18 | C19 | N26 | 174.3° | 180.0° |
| C11 | C18 | C19 | O31 | 174.1° | 180.0° |
| C18 | C11 | C22 | C20 | 4.8° | 0.0° |
| C18 | C11 | C22 | CL34 | 178.6° | 180.0° |
| C11 | C18 | N26 | C23 | 108.6° | 90.0° |
| C11 | C22 | C20 | C12 | 7.6° | 0.0° |
| C22 | C11 | C18 | C19 | 1.0° | 0.0° |
| C22 | C11 | C18 | N26 | 173.3° | 180.0° |
| C11 | C22 | C20 | CL34 | 176.5° | 180.0° |
| C11 | C22 | C20 | O32 | 176.7° | 180.0° |
| C19 | C12 | C20 | H12 | 180.0° | 180.0° |
| C12 | C19 | C18 | O31 | 178.3° | 179.9° |
| C12 | C19 | C18 | N26 | 170.2° | 180.0° |
| C19 | C12 | C20 | C22 | 4.4° | 0.0° |
| C19 | C12 | C20 | O32 | 180.0° | 180.0° |
| C12 | C19 | O31 | HO31 | 180.0° | 90.0° |
| C20 | C12 | C19 | C18 | 1.5° | 0.0° |
| C20 | C12 | C19 | O31 | 176.8° | 180.0° |
| C12 | C20 | C22 | O32 | 175.7° | 180.0° |
| C12 | C20 | C22 | CL34 | 175.9° | 180.0° |
| C12 | C20 | O32 | HO32 | 180.0° | 90.0° |
| C13 | C14 | C21 | S33 | 176.5° | 180.0° |
| C14 | C13 | C4 | H4 | 178.3° | 180.0° |
| C13 | C14 | C5 | H5 | 178.2° | 180.0° |
| C14 | C13 | C6 | H6 | 178.8° | 180.0° |
| C14 | C21 | S33 | N27 | 69.5° | 64.0° |
| C14 | C21 | S33 | O29 | 44.1° | 177.6° |
| C14 | C21 | S33 | O30 | 174.8° | 49.5° |
| C21 | C14 | C5 | H5 | 0.3° | 0.0° |
| C14 | C21 | C9 | H9 | 179.9° | 180.0° |
| C15 | C24 | N27 | H24 | 120.0° | 119.9° |
| C15 | C24 | N27 | H24A | 120.0° | 120.0° |
| C15 | C24 | N27 | S33 | 88.5° | 163.8° |
| C24 | C15 | C7 | H7 | 2.0° | 0.2° |
| C24 | C15 | C10 | H10 | 0.5° | 0.0° |
| C15 | C24 | H24 | H24A | 118.4° | 120.0° |
| C15 | C24 | N27 | HN27 | 151.5° | 16.2° |
| C17 | C16 | N26 | C18 | 174.2° | 180.0° |
| C16 | C17 | N25 | C23 | 1.1° | 0.0° |
| C17 | C16 | N26 | C23 | 0.0° | 0.0° |
| C17 | C16 | C8 | H8 | 179.4° | 180.0° |
| C16 | C17 | C10 | H10 | 178.7° | 180.0° |
| C16 | C17 | N25 | HN25 | 178.9° | 180.0° |
| N26 | C16 | C17 | N25 | 0.7° | 0.0° |
| C16 | N26 | C18 | C19 | 109.6° | 90.1° |
| C16 | N26 | C18 | C23 | 173.2° | 180.0° |
| C16 | N26 | C23 | N25 | 0.7° | 0.0° |
| C16 | N26 | C23 | O28 | 178.2° | 180.0° |
| N26 | C16 | C8 | H8 | 3.0° | 0.0° |
| C17 | N25 | C23 | HN25 | 180.0° | 179.9° |
| C17 | N25 | C23 | N26 | 1.1° | 0.0° |
| C17 | N25 | C23 | O28 | 178.5° | 180.0° |
| N25 | C17 | C10 | H10 | 1.3° | 0.0° |
| C19 | C18 | N26 | C23 | 77.2° | 89.9° |
| C19 | C18 | C11 | H11 | 179.0° | 179.8° |
| C18 | C19 | C12 | H12 | 178.5° | 180.0° |
| C18 | C19 | O31 | HO31 | 1.7° | 90.0° |
| N26 | C18 | C19 | O31 | 11.5° | 0.1° |
| C18 | N26 | C23 | N25 | 173.4° | 180.0° |
| C18 | N26 | C23 | O28 | 4.0° | 0.0° |
| N26 | C18 | C11 | H11 | 6.8° | 0.3° |
| O31 | C19 | C12 | H12 | 3.2° | 0.1° |
| C20 | C22 | C11 | H11 | 175.2° | 179.7° |
| C22 | C20 | C12 | H12 | 175.7° | 180.0° |
| C22 | C20 | O32 | HO32 | 4.3° | 90.0° |
| O32 | C20 | C22 | CL34 | 0.2° | 0.0° |
| O32 | C20 | C12 | H12 | 0.0° | 0.0° |
| C21 | S33 | N27 | C24 | 58.2° | 63.9° |
| C21 | S33 | N27 | O29 | 116.2° | 113.5° |
| C21 | S33 | N27 | O30 | 113.3° | 113.5° |
| C21 | S33 | O29 | O30 | 122.6° | 123.0° |
| S33 | C21 | C9 | H9 | 2.4° | 0.1° |
| C21 | S33 | N27 | HN27 | 178.2° | 116.1° |
| CL34 | C22 | C11 | H11 | 1.3° | 0.2° |
| N25 | C23 | N26 | O28 | 177.4° | 180.0° |
| N26 | C23 | N25 | HN25 | 178.9° | 180.0° |
| O28 | C23 | N25 | HN25 | 1.5° | 0.0° |
| C24 | N27 | S33 | HN27 | 120.0° | 180.0° |
| C24 | N27 | S33 | O29 | 174.4° | 49.6° |
| C24 | N27 | S33 | O30 | 55.1° | 177.5° |
| N27 | C24 | H24 | H24A | 118.4° | 120.1° |
| N27 | S33 | O29 | O30 | 124.0° | 122.9° |
| S33 | N27 | C24 | H24 | 31.5° | 43.8° |
| S33 | N27 | C24 | H24A | 151.5° | 76.2° |
| O29 | S33 | N27 | HN27 | 65.6° | 130.4° |
| O30 | S33 | N27 | HN27 | 64.9° | 2.5° |
| H1 | C1 | C2 | H2 | 0.5° | 0.4° |
| H1 | C1 | C4 | H4 | 0.2° | 0.3° |
| H2 | C2 | C5 | H5 | 0.3° | 0.1° |
| H3 | C3 | C6 | H6 | 0.2° | 0.0° |
| H3 | C3 | C9 | H9 | 0.4° | 0.0° |
| H7 | C7 | C8 | H8 | 1.7° | 0.3° |
| H24 | C24 | N27 | HN27 | 88.5° | 136.2° |
| H24A | C24 | N27 | HN27 | 31.5° | 103.8° |
