0ME
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C20 | C19 | sing | 1.53Å | 1.56Å | |
| O18 | C17 | doub | 1.21Å | 1.23Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C17 | C19 | sing | 1.51Å | 1.52Å | |
| C17 | N16 | sing | 1.35Å | 1.37Å | |
| C19 | C24 | sing | 1.53Å | 1.55Å | |
| N16 | C15 | sing | 1.47Å | 1.48Å | |
| C15 | C4 | sing | 1.53Å | 1.56Å | |
| C22 | N23 | sing | 1.47Å | 1.47Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | N23 | sing | 1.47Å | 1.49Å | |
| C12 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C4 | sing | 1.50Å | 1.54Å | |
| C9 | C10 | doub | 1.39Å | 1.43Å | Aromatic |
| C4 | C1 | sing | 1.50Å | 1.54Å | |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | O3 | sing | 1.35Å | 1.40Å | |
| O3 | C2 | sing | 1.36Å | 1.40Å | |
| C1 | C2 | doub | 1.38Å | 1.43Å | Aromatic |
| C1 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| N16 | H12 | sing | 0.97Å | 1.00Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| N23 | H20 | sing | 1.01Å | 1.00Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C20 | C19 | 114.4° | 109.2° |
| C20 | C21 | C22 | 111.7° | 109.3° |
| C21 | C20 | H14 | 108.2° | 109.5° |
| C21 | C20 | H15 | 108.2° | 109.6° |
| C20 | C21 | H16 | 108.9° | 109.5° |
| C20 | C21 | H17 | 108.9° | 109.5° |
| C20 | C19 | C17 | 112.9° | 109.5° |
| C20 | C19 | C24 | 107.1° | 109.3° |
| C20 | C19 | H13 | 108.0° | 109.5° |
| C19 | C20 | H14 | 108.2° | 109.6° |
| C19 | C20 | H15 | 108.2° | 109.5° |
| O18 | C17 | C19 | 118.8° | 120.0° |
| O18 | C17 | N16 | 123.2° | 120.0° |
| C21 | C22 | N23 | 109.3° | 109.5° |
| C22 | C21 | H16 | 108.9° | 109.5° |
| C22 | C21 | H17 | 108.9° | 109.5° |
| C21 | C22 | H18 | 109.5° | 109.4° |
| C21 | C22 | H19 | 109.6° | 109.5° |
| C19 | C17 | N16 | 118.0° | 120.0° |
| C17 | C19 | C24 | 112.2° | 109.5° |
| C17 | C19 | H13 | 108.5° | 109.5° |
| C17 | N16 | C15 | 126.5° | 120.0° |
| C17 | N16 | H12 | 116.7° | 120.0° |
| C19 | C24 | N23 | 113.3° | 109.5° |
| C24 | C19 | H13 | 108.1° | 109.5° |
| C19 | C24 | H22 | 108.5° | 109.5° |
| C19 | C24 | H23 | 108.5° | 109.4° |
| N16 | C15 | C4 | 113.6° | 109.5° |
| N16 | C15 | H10 | 108.4° | 109.4° |
| N16 | C15 | H11 | 108.4° | 109.5° |
| C15 | N16 | H12 | 116.7° | 120.0° |
| C15 | C4 | C9 | 108.9° | 109.2° |
| C15 | C4 | C1 | 108.7° | 109.3° |
| C15 | C4 | H1 | 110.1° | 109.2° |
| C4 | C15 | H10 | 108.4° | 109.5° |
| C4 | C15 | H11 | 108.4° | 109.5° |
| C22 | N23 | C24 | 115.8° | 111.2° |
| N23 | C22 | H18 | 109.5° | 109.5° |
| N23 | C22 | H19 | 109.5° | 109.5° |
| C22 | N23 | H20 | 107.9° | 111.0° |
| C14 | C13 | C12 | 120.5° | 120.0° |
| C13 | C14 | C9 | 119.2° | 120.3° |
| C14 | C13 | H8 | 119.8° | 120.0° |
| C13 | C14 | H9 | 120.4° | 119.9° |
| C13 | C12 | C11 | 121.0° | 120.0° |
| C13 | C12 | H7 | 119.5° | 120.0° |
| C12 | C13 | H8 | 119.8° | 120.0° |
| C14 | C9 | C4 | 119.8° | 119.4° |
| C14 | C9 | C10 | 120.1° | 119.8° |
| C9 | C14 | H9 | 120.4° | 119.7° |
| C24 | N23 | H20 | 107.9° | 111.0° |
| N23 | C24 | H22 | 108.5° | 109.5° |
| N23 | C24 | H23 | 108.5° | 109.5° |
| C12 | C11 | C10 | 118.9° | 120.2° |
| C12 | C11 | H6 | 120.6° | 119.9° |
| C11 | C12 | H7 | 119.5° | 120.0° |
| C4 | C9 | C10 | 120.2° | 120.8° |
| C9 | C4 | C1 | 108.2° | 110.6° |
| C9 | C4 | H1 | 110.4° | 109.2° |
| C9 | C10 | C11 | 120.4° | 119.7° |
| C9 | C10 | O3 | 121.5° | 120.9° |
| C4 | C1 | C2 | 119.9° | 120.8° |
| C4 | C1 | C8 | 119.6° | 119.4° |
| C1 | C4 | H1 | 110.5° | 109.3° |
| C11 | C10 | O3 | 118.1° | 119.3° |
| C10 | C11 | H6 | 120.6° | 120.0° |
| C10 | O3 | C2 | 115.4° | 120.1° |
| O3 | C2 | C1 | 121.9° | 121.0° |
| O3 | C2 | C7 | 117.8° | 119.2° |
| C2 | C1 | C8 | 120.5° | 119.8° |
| C1 | C2 | C7 | 120.3° | 119.8° |
| C1 | C8 | C5 | 118.4° | 120.2° |
| C1 | C8 | H5 | 120.8° | 119.9° |
| C2 | C7 | C6 | 119.0° | 120.1° |
| C2 | C7 | H4 | 120.5° | 120.0° |
| C8 | C5 | C6 | 121.1° | 120.1° |
| C8 | C5 | H2 | 119.4° | 120.0° |
| C5 | C8 | H5 | 120.8° | 119.9° |
| C7 | C6 | C5 | 120.6° | 120.0° |
| C7 | C6 | H3 | 119.7° | 120.0° |
| C6 | C7 | H4 | 120.5° | 119.9° |
| C6 | C5 | H2 | 119.5° | 119.9° |
| C5 | C6 | H3 | 119.7° | 120.0° |
| H10 | C15 | H11 | 109.4° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.6° |
| H16 | C21 | H17 | 109.5° | 109.6° |
| H18 | C22 | H19 | 109.4° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | C19 | H14 | 120.7° | 120.0° |
| C21 | C20 | C19 | H15 | 120.7° | 119.9° |
| C20 | C21 | C22 | H16 | 120.3° | 120.0° |
| C20 | C21 | C22 | H17 | 120.3° | 119.9° |
| C21 | C20 | C19 | C17 | 175.1° | 177.6° |
| C21 | C20 | C19 | C24 | 51.2° | 57.7° |
| C20 | C21 | C22 | N23 | 50.9° | 59.2° |
| C21 | C20 | C19 | H13 | 65.0° | 62.3° |
| C21 | C20 | H14 | H15 | 117.7° | 120.2° |
| C20 | C21 | H16 | H17 | 119.0° | 120.1° |
| C20 | C21 | C22 | H18 | 170.9° | 179.2° |
| C20 | C21 | C22 | H19 | 69.1° | 60.8° |
| C20 | C19 | C17 | O18 | 4.0° | 0.2° |
| C19 | C20 | C21 | C22 | 52.5° | 57.7° |
| C20 | C19 | C17 | C24 | 121.1° | 119.8° |
| C20 | C19 | C17 | H13 | 119.6° | 120.1° |
| C20 | C19 | C17 | N16 | 175.4° | 179.9° |
| C20 | C19 | C24 | H13 | 116.1° | 119.9° |
| C20 | C19 | C24 | N23 | 52.5° | 59.2° |
| C19 | C20 | H14 | H15 | 117.8° | 120.1° |
| C19 | C20 | C21 | H16 | 67.8° | 62.3° |
| C19 | C20 | C21 | H17 | 172.8° | 177.5° |
| C20 | C19 | C24 | H22 | 68.1° | 60.9° |
| C20 | C19 | C24 | H23 | 173.1° | 179.2° |
| O18 | C17 | C19 | N16 | 179.4° | 180.0° |
| O18 | C17 | C19 | C24 | 117.1° | 120.0° |
| O18 | C17 | N16 | C15 | 1.3° | 0.1° |
| O18 | C17 | N16 | H12 | 178.7° | 180.0° |
| O18 | C17 | C19 | H13 | 123.6° | 119.9° |
| C21 | C22 | N23 | H18 | 120.0° | 120.0° |
| C21 | C22 | N23 | H19 | 120.0° | 120.0° |
| C21 | C22 | N23 | C24 | 55.2° | 61.8° |
| C22 | C21 | C20 | H14 | 68.2° | 177.6° |
| C22 | C21 | C20 | H15 | 173.3° | 62.2° |
| C22 | C21 | H16 | H17 | 119.0° | 120.1° |
| C21 | C22 | H18 | H19 | 120.1° | 120.0° |
| C21 | C22 | N23 | H20 | 65.7° | 62.4° |
| C17 | C19 | C24 | H13 | 119.5° | 120.1° |
| C19 | C17 | N16 | C15 | 179.3° | 179.9° |
| C17 | C19 | C24 | N23 | 176.9° | 179.1° |
| C19 | C17 | N16 | H12 | 0.7° | 0.0° |
| C17 | C19 | C20 | H14 | 54.4° | 62.4° |
| C17 | C19 | C20 | H15 | 64.2° | 57.7° |
| C17 | C19 | C24 | H22 | 56.3° | 59.1° |
| C17 | C19 | C24 | H23 | 62.6° | 60.9° |
| N16 | C17 | C19 | C24 | 63.6° | 60.1° |
| C17 | N16 | C15 | H12 | 180.0° | 179.9° |
| C17 | N16 | C15 | C4 | 108.3° | 174.1° |
| C17 | N16 | C15 | H10 | 12.3° | 65.9° |
| C17 | N16 | C15 | H11 | 131.1° | 54.1° |
| N16 | C17 | C19 | H13 | 55.7° | 60.1° |
| C19 | C24 | N23 | C22 | 58.4° | 61.8° |
| C19 | C24 | N23 | H22 | 120.6° | 120.1° |
| C19 | C24 | N23 | H23 | 120.6° | 120.0° |
| C24 | C19 | C20 | H14 | 69.5° | 177.6° |
| C24 | C19 | C20 | H15 | 171.9° | 62.2° |
| C19 | C24 | N23 | H20 | 62.5° | 62.3° |
| C19 | C24 | H22 | H23 | 118.2° | 119.9° |
| N16 | C15 | C4 | H10 | 120.6° | 120.0° |
| N16 | C15 | C4 | H11 | 120.6° | 120.0° |
| N16 | C15 | C4 | C9 | 166.2° | 172.7° |
| N16 | C15 | C4 | C1 | 48.5° | 66.2° |
| N16 | C15 | C4 | H1 | 72.6° | 53.2° |
| N16 | C15 | H10 | H11 | 118.1° | 120.0° |
| C15 | C4 | C9 | C14 | 90.2° | 77.5° |
| C15 | C4 | C9 | C1 | 118.0° | 120.3° |
| C15 | C4 | C9 | H1 | 121.0° | 119.4° |
| C15 | C4 | C9 | C10 | 90.8° | 102.9° |
| C15 | C4 | C1 | H1 | 120.9° | 119.5° |
| C15 | C4 | C1 | C2 | 89.1° | 102.4° |
| C15 | C4 | C1 | C8 | 90.2° | 77.4° |
| C4 | C15 | H10 | H11 | 118.1° | 120.0° |
| C4 | C15 | N16 | H12 | 71.7° | 5.8° |
| C22 | N23 | C24 | H20 | 120.9° | 124.1° |
| N23 | C22 | C21 | H16 | 69.5° | 60.8° |
| N23 | C22 | C21 | H17 | 171.2° | 179.1° |
| N23 | C22 | H18 | H19 | 120.1° | 120.0° |
| C22 | N23 | C24 | H22 | 62.2° | 58.3° |
| C22 | N23 | C24 | H23 | 179.0° | 178.2° |
| C14 | C13 | C12 | H8 | 180.0° | 179.1° |
| C13 | C14 | C9 | H9 | 180.0° | 179.1° |
| C14 | C13 | C12 | C11 | 1.4° | 0.6° |
| C13 | C14 | C9 | C4 | 179.7° | 179.6° |
| C13 | C14 | C9 | C10 | 0.7° | 0.8° |
| C14 | C13 | C12 | H7 | 178.6° | 179.5° |
| C12 | C13 | C14 | C9 | 1.2° | 1.0° |
| C13 | C12 | C11 | H7 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 1.0° | 0.1° |
| C13 | C12 | C11 | H6 | 179.0° | 180.0° |
| C12 | C13 | C14 | H9 | 178.8° | 180.0° |
| C14 | C9 | C4 | C10 | 179.0° | 179.6° |
| C14 | C9 | C4 | C1 | 151.8° | 162.3° |
| C14 | C9 | C10 | C11 | 0.4° | 0.3° |
| C14 | C9 | C10 | O3 | 179.3° | 179.6° |
| C14 | C9 | C4 | H1 | 30.8° | 42.0° |
| C9 | C14 | C13 | H8 | 178.8° | 180.0° |
| N23 | C24 | C19 | H13 | 63.6° | 60.7° |
| C24 | N23 | C22 | H18 | 175.2° | 178.3° |
| C24 | N23 | C22 | H19 | 64.8° | 58.2° |
| N23 | C24 | H22 | H23 | 118.2° | 120.0° |
| C12 | C11 | C10 | C9 | 0.5° | 0.1° |
| C12 | C11 | C10 | H6 | 180.0° | 179.9° |
| C12 | C11 | C10 | O3 | 179.2° | 179.2° |
| C11 | C12 | C13 | H8 | 178.6° | 179.7° |
| C9 | C4 | C1 | H1 | 121.0° | 120.3° |
| C4 | C9 | C10 | C11 | 179.4° | 179.9° |
| C4 | C9 | C10 | O3 | 0.3° | 0.8° |
| C9 | C4 | C1 | C2 | 29.1° | 17.9° |
| C9 | C4 | C1 | C8 | 151.6° | 162.3° |
| C4 | C9 | C14 | H9 | 0.3° | 0.5° |
| C9 | C4 | C15 | H10 | 45.5° | 52.7° |
| C9 | C4 | C15 | H11 | 73.2° | 67.3° |
| C10 | C9 | C4 | C1 | 27.2° | 17.4° |
| C9 | C10 | C11 | O3 | 179.7° | 179.3° |
| C9 | C10 | O3 | C2 | 28.8° | 20.9° |
| C10 | C9 | C4 | H1 | 148.2° | 137.6° |
| C9 | C10 | C11 | H6 | 179.5° | 179.9° |
| C10 | C9 | C14 | H9 | 179.3° | 179.9° |
| C4 | C1 | C2 | O3 | 3.6° | 0.3° |
| C4 | C1 | C2 | C8 | 179.3° | 179.8° |
| C4 | C1 | C2 | C7 | 178.6° | 179.6° |
| C4 | C1 | C8 | C5 | 178.1° | 179.7° |
| C4 | C1 | C8 | H5 | 1.8° | 0.3° |
| C1 | C4 | C15 | H10 | 72.2° | 173.8° |
| C1 | C4 | C15 | H11 | 169.1° | 53.8° |
| C11 | C10 | O3 | C2 | 151.0° | 159.7° |
| C10 | C11 | C12 | H7 | 179.0° | 180.0° |
| C10 | O3 | C2 | C1 | 26.8° | 20.4° |
| C10 | O3 | C2 | C7 | 151.1° | 159.6° |
| O3 | C10 | C11 | H6 | 0.8° | 0.8° |
| O3 | C2 | C1 | C7 | 177.8° | 180.0° |
| O3 | C2 | C1 | C8 | 177.1° | 179.9° |
| O3 | C2 | C7 | C6 | 179.6° | 180.0° |
| O3 | C2 | C7 | H4 | 0.4° | 0.1° |
| C2 | C1 | C8 | C5 | 1.1° | 0.1° |
| C1 | C2 | C7 | C6 | 1.7° | 0.0° |
| C2 | C1 | C4 | H1 | 150.0° | 138.2° |
| C1 | C2 | C7 | H4 | 178.3° | 179.9° |
| C2 | C1 | C8 | H5 | 178.9° | 179.9° |
| C8 | C1 | C2 | C7 | 0.7° | 0.1° |
| C1 | C8 | C5 | H5 | 180.0° | 180.0° |
| C1 | C8 | C5 | C6 | 0.8° | 0.0° |
| C8 | C1 | C4 | H1 | 30.7° | 42.1° |
| C1 | C8 | C5 | H2 | 179.2° | 180.0° |
| C2 | C7 | C6 | H4 | 180.0° | 179.9° |
| C2 | C7 | C6 | C5 | 3.6° | 0.1° |
| C2 | C7 | C6 | H3 | 176.4° | 179.9° |
| C8 | C5 | C6 | C7 | 3.2° | 0.1° |
| C8 | C5 | C6 | H2 | 180.0° | 179.9° |
| C8 | C5 | C6 | H3 | 176.8° | 179.9° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | H2 | 176.8° | 180.0° |
| C5 | C6 | C7 | H4 | 176.4° | 180.0° |
| C6 | C5 | C8 | H5 | 179.2° | 180.0° |
| H1 | C4 | C15 | H10 | 166.7° | 66.7° |
| H1 | C4 | C15 | H11 | 48.0° | 173.3° |
| H2 | C5 | C6 | H3 | 3.2° | 0.0° |
| H2 | C5 | C8 | H5 | 0.8° | 0.1° |
| H3 | C6 | C7 | H4 | 3.6° | 0.0° |
| H6 | C11 | C12 | H7 | 1.0° | 0.0° |
| H7 | C12 | C13 | H8 | 1.4° | 0.4° |
| H8 | C13 | C14 | H9 | 1.2° | 0.9° |
| H10 | C15 | N16 | H12 | 167.7° | 114.2° |
| H11 | C15 | N16 | H12 | 48.9° | 125.8° |
| H13 | C19 | C20 | H14 | 174.3° | 57.6° |
| H13 | C19 | C20 | H15 | 55.7° | 177.8° |
| H13 | C19 | C24 | H22 | 175.8° | 179.2° |
| H13 | C19 | C24 | H23 | 57.0° | 59.2° |
| H14 | C20 | C21 | H16 | 171.4° | 57.7° |
| H14 | C20 | C21 | H17 | 52.1° | 62.5° |
| H15 | C20 | C21 | H16 | 52.9° | 177.9° |
| H15 | C20 | C21 | H17 | 66.4° | 57.7° |
| H16 | C21 | C22 | H18 | 50.5° | 59.2° |
| H16 | C21 | C22 | H19 | 170.6° | 179.2° |
| H17 | C21 | C22 | H18 | 68.8° | 60.9° |
| H17 | C21 | C22 | H19 | 51.2° | 59.1° |
| H18 | C22 | N23 | H20 | 54.3° | 57.6° |
| H19 | C22 | N23 | H20 | 174.3° | 177.6° |
| H20 | N23 | C24 | H22 | 176.9° | 177.6° |
| H20 | N23 | C24 | H23 | 58.1° | 57.6° |
