MYE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.52Å | 84.06Å | |
| C2 | H21A | sing | 1.10Å | 1.11Å | |
| C2 | H22 | sing | 1.10Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | H31 | sing | 1.10Å | 1.12Å | |
| C3 | H32 | sing | 1.10Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | H41 | sing | 1.10Å | 1.11Å | |
| C4 | H42 | sing | 1.10Å | 1.12Å | |
| C5 | N6 | sing | 1.45Å | 1.45Å | |
| C5 | C26 | sing | 1.51Å | 1.50Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| N6 | C7 | sing | 1.39Å | 1.33Å | |
| N6 | HN6 | sing | 1.02Å | 1.02Å | |
| C7 | O8 | doub | 1.23Å | 1.22Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | N14 | sing | 1.44Å | 1.44Å | |
| C9 | H9 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.54Å | 1.55Å | |
| C10 | H101 | sing | 1.10Å | 1.12Å | |
| C10 | H102 | sing | 1.10Å | 1.12Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C11 | H11 | sing | 1.10Å | 1.11Å | |
| C12 | H121 | sing | 1.10Å | 1.12Å | |
| C12 | H122 | sing | 1.10Å | 1.12Å | |
| C12 | H123 | sing | 1.10Å | 1.12Å | |
| C13 | H131 | sing | 1.10Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C13 | H133 | sing | 1.09Å | 1.11Å | |
| N14 | C15 | sing | 1.38Å | 1.35Å | |
| N14 | H14 | sing | 1.02Å | 1.02Å | |
| C15 | O16 | doub | 1.23Å | 1.23Å | |
| C15 | O17 | sing | 1.37Å | 1.32Å | |
| O17 | C18 | sing | 1.43Å | 1.40Å | |
| C18 | C19 | sing | 1.50Å | 1.51Å | |
| C18 | H181 | sing | 1.10Å | 1.11Å | |
| C18 | H182 | sing | 1.10Å | 1.11Å | |
| C19 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | BR2 | sing | 1.89Å | 1.93Å | |
| C22 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.40Å | 1.38Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | O27 | doub | 1.23Å | 1.38Å | |
| C26 | H26 | sing | 1.10Å | 1.10Å | |
| C1 | H11A | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 160.6° | 111.5° |
| C3 | C2 | H21A | 95.7° | 109.9° |
| C3 | C2 | H22 | 95.6° | 109.9° |
| C2 | C3 | C4 | 110.1° | 111.2° |
| C2 | C3 | H31 | 112.0° | 109.5° |
| C2 | C3 | H32 | 112.0° | 109.2° |
| C1 | C2 | H21A | 95.6° | 109.1° |
| C1 | C2 | H22 | 95.6° | 109.1° |
| C2 | C1 | H11A | 95.6° | 111.0° |
| C2 | C1 | H12 | 160.6° | 111.0° |
| C2 | C1 | H13 | 95.6° | 110.3° |
| H21A | C2 | H22 | 108.7° | 107.2° |
| C4 | C3 | H31 | 112.0° | 109.5° |
| C4 | C3 | H32 | 112.0° | 110.3° |
| C3 | C4 | C5 | 109.7° | 112.6° |
| C3 | C4 | H41 | 112.1° | 108.3° |
| C3 | C4 | H42 | 112.2° | 109.6° |
| H31 | C3 | H32 | 98.4° | 107.1° |
| C5 | C4 | H41 | 112.1° | 109.3° |
| C5 | C4 | H42 | 112.1° | 110.1° |
| C4 | C5 | N6 | 109.9° | 111.0° |
| C4 | C5 | C26 | 110.0° | 113.3° |
| C4 | C5 | H5 | 108.5° | 112.2° |
| H41 | C4 | H42 | 98.2° | 106.6° |
| N6 | C5 | C26 | 108.4° | 105.0° |
| N6 | C5 | H5 | 110.1° | 106.2° |
| C5 | N6 | C7 | 119.7° | 123.3° |
| C5 | N6 | HN6 | 124.5° | 117.4° |
| C26 | C5 | H5 | 109.9° | 108.7° |
| C5 | C26 | O27 | 109.6° | 123.8° |
| C5 | C26 | H26 | 128.4° | 116.6° |
| C7 | N6 | HN6 | 115.9° | 119.3° |
| N6 | C7 | O8 | 119.6° | 125.0° |
| N6 | C7 | C9 | 120.4° | 112.0° |
| O8 | C7 | C9 | 120.1° | 122.9° |
| C7 | C9 | C10 | 108.3° | 110.3° |
| C7 | C9 | N14 | 108.3° | 107.1° |
| C7 | C9 | H9 | 110.4° | 108.7° |
| C10 | C9 | N14 | 107.9° | 112.3° |
| C10 | C9 | H9 | 110.9° | 111.3° |
| C9 | C10 | C11 | 112.4° | 114.8° |
| C9 | C10 | H101 | 111.1° | 108.8° |
| C9 | C10 | H102 | 111.1° | 109.4° |
| N14 | C9 | H9 | 110.9° | 107.0° |
| C9 | N14 | C15 | 122.1° | 123.9° |
| C9 | N14 | H14 | 122.0° | 118.0° |
| C11 | C10 | H101 | 111.1° | 108.6° |
| C11 | C10 | H102 | 111.1° | 109.1° |
| C10 | C11 | C12 | 108.9° | 109.7° |
| C10 | C11 | C13 | 111.3° | 112.4° |
| C10 | C11 | H11 | 108.6° | 109.2° |
| H101 | C10 | H102 | 99.3° | 105.7° |
| C12 | C11 | C13 | 109.5° | 109.7° |
| C12 | C11 | H11 | 110.4° | 107.5° |
| C11 | C12 | H121 | 112.4° | 110.8° |
| C11 | C12 | H122 | 108.9° | 110.8° |
| C11 | C12 | H123 | 112.4° | 111.3° |
| C13 | C11 | H11 | 108.1° | 108.2° |
| C11 | C13 | H131 | 111.5° | 111.2° |
| C11 | C13 | H132 | 111.3° | 110.8° |
| C11 | C13 | H133 | 111.6° | 111.4° |
| H121 | C12 | H122 | 112.4° | 107.6° |
| H121 | C12 | H123 | 98.0° | 108.1° |
| H122 | C12 | H123 | 112.4° | 108.1° |
| H131 | C13 | H132 | 111.5° | 107.9° |
| H131 | C13 | H133 | 98.9° | 108.2° |
| H132 | C13 | H133 | 111.5° | 107.2° |
| C15 | N14 | H14 | 115.9° | 118.1° |
| N14 | C15 | O16 | 121.1° | 125.6° |
| N14 | C15 | O17 | 118.7° | 109.8° |
| O16 | C15 | O17 | 120.2° | 124.6° |
| C15 | O17 | C18 | 112.7° | 115.9° |
| O17 | C18 | C19 | 109.5° | 109.1° |
| O17 | C18 | H181 | 112.2° | 109.0° |
| O17 | C18 | H182 | 112.2° | 109.2° |
| C19 | C18 | H181 | 112.2° | 111.0° |
| C19 | C18 | H182 | 112.2° | 110.7° |
| C18 | C19 | C20 | 119.6° | 119.7° |
| C18 | C19 | C25 | 120.3° | 119.7° |
| H181 | C18 | H182 | 98.2° | 107.9° |
| C20 | C19 | C25 | 120.1° | 120.6° |
| C19 | C20 | C21 | 120.0° | 119.7° |
| C19 | C20 | H20 | 119.9° | 120.8° |
| C19 | C25 | C24 | 120.0° | 119.7° |
| C19 | C25 | H25 | 120.5° | 120.9° |
| C21 | C20 | H20 | 120.0° | 119.5° |
| C20 | C21 | C22 | 120.2° | 120.0° |
| C20 | C21 | H21 | 119.5° | 119.0° |
| C22 | C21 | H21 | 120.3° | 121.0° |
| C21 | C22 | BR2 | 119.7° | 120.0° |
| C21 | C22 | C24 | 119.9° | 120.0° |
| BR2 | C22 | C24 | 120.4° | 120.0° |
| C22 | C24 | C25 | 119.8° | 120.0° |
| C22 | C24 | H24 | 120.2° | 121.0° |
| C25 | C24 | H24 | 120.0° | 119.1° |
| C24 | C25 | H25 | 119.6° | 119.5° |
| O27 | C26 | H26 | 122.0° | 119.4° |
| H11A | C1 | H12 | 95.6° | 108.3° |
| H11A | C1 | H13 | 108.7° | 108.1° |
| H12 | C1 | H13 | 95.7° | 108.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H21A | 125.3° | 121.6° |
| C3 | C2 | C1 | H22 | 125.3° | 121.6° |
| C3 | C2 | H21A | H22 | 97.9° | 119.4° |
| C2 | C3 | C4 | H31 | 125.3° | 121.1° |
| C2 | C3 | C4 | H32 | 125.3° | 121.3° |
| C2 | C3 | H31 | H32 | 117.9° | 118.3° |
| C2 | C3 | C4 | C5 | 171.3° | 178.9° |
| C2 | C3 | C4 | H41 | 46.0° | 60.0° |
| C2 | C3 | C4 | H42 | 63.4° | 55.9° |
| C3 | C2 | C1 | H11A | 54.7° | 60.3° |
| C3 | C2 | C1 | H12 | 179.9° | 60.1° |
| C3 | C2 | C1 | H13 | 54.7° | 179.9° |
| C1 | C2 | H21A | H22 | 97.9° | 118.0° |
| C1 | C2 | C3 | C4 | 13.2° | 178.9° |
| C1 | C2 | C3 | H31 | 112.0° | 60.0° |
| C1 | C2 | C3 | H32 | 138.5° | 57.0° |
| C2 | C1 | H11A | H12 | 164.2° | 122.1° |
| C2 | C1 | H11A | H13 | 97.9° | 121.1° |
| C2 | C1 | H12 | H13 | 125.3° | 121.0° |
| H21A | C2 | C3 | C4 | 112.0° | 60.0° |
| H21A | C2 | C3 | H31 | 122.7° | 61.1° |
| H21A | C2 | C3 | H32 | 13.3° | 178.1° |
| H21A | C2 | C1 | H11A | 180.0° | 178.1° |
| H21A | C2 | C1 | H12 | 54.8° | 61.5° |
| H21A | C2 | C1 | H13 | 70.5° | 58.3° |
| H22 | C2 | C3 | C4 | 138.5° | 57.8° |
| H22 | C2 | C3 | H31 | 13.2° | 178.9° |
| H22 | C2 | C3 | H32 | 96.2° | 64.2° |
| H22 | C2 | C1 | H11A | 70.5° | 61.3° |
| H22 | C2 | C1 | H12 | 54.7° | 178.3° |
| H22 | C2 | C1 | H13 | 180.0° | 58.5° |
| C4 | C3 | H31 | H32 | 117.9° | 119.6° |
| C3 | C4 | C5 | H41 | 125.3° | 120.5° |
| C3 | C4 | C5 | H42 | 125.3° | 122.7° |
| C3 | C4 | H41 | H42 | 118.1° | 117.9° |
| C3 | C4 | C5 | N6 | 70.2° | 62.6° |
| C3 | C4 | C5 | C26 | 170.5° | 179.5° |
| C3 | C4 | C5 | H5 | 50.2° | 56.0° |
| H31 | C3 | C4 | C5 | 63.5° | 60.0° |
| H31 | C3 | C4 | H41 | 171.3° | 61.1° |
| H31 | C3 | C4 | H42 | 61.8° | 177.0° |
| H32 | C3 | C4 | C5 | 46.0° | 57.6° |
| H32 | C3 | C4 | H41 | 79.3° | 178.7° |
| H32 | C3 | C4 | H42 | 171.3° | 65.4° |
| C5 | C4 | H41 | H42 | 118.0° | 119.0° |
| C4 | C5 | N6 | C26 | 120.2° | 122.8° |
| C4 | C5 | N6 | H5 | 119.5° | 122.2° |
| C4 | C5 | C26 | H5 | 119.5° | 125.4° |
| C4 | C5 | N6 | C7 | 130.8° | 122.2° |
| C4 | C5 | N6 | HN6 | 49.2° | 57.1° |
| C4 | C5 | C26 | O27 | 52.2° | 35.4° |
| C4 | C5 | C26 | H26 | 127.8° | 150.1° |
| H41 | C4 | C5 | N6 | 55.0° | 57.9° |
| H41 | C4 | C5 | C26 | 64.2° | 60.0° |
| H41 | C4 | C5 | H5 | 175.5° | 176.5° |
| H42 | C4 | C5 | N6 | 164.5° | 174.6° |
| H42 | C4 | C5 | C26 | 45.2° | 56.8° |
| H42 | C4 | C5 | H5 | 75.1° | 66.7° |
| N6 | C5 | C26 | H5 | 120.4° | 113.3° |
| C5 | N6 | C7 | HN6 | 180.0° | 179.3° |
| C5 | N6 | C7 | O8 | 2.0° | 0.1° |
| C5 | N6 | C7 | C9 | 178.3° | 177.7° |
| N6 | C5 | C26 | O27 | 172.4° | 156.7° |
| N6 | C5 | C26 | H26 | 7.6° | 28.8° |
| C26 | C5 | N6 | C7 | 109.0° | 115.1° |
| C26 | C5 | N6 | HN6 | 71.0° | 65.6° |
| C5 | C26 | O27 | H26 | 180.0° | 174.4° |
| H5 | C5 | N6 | C7 | 11.3° | 0.0° |
| H5 | C5 | N6 | HN6 | 168.7° | 179.3° |
| H5 | C5 | C26 | O27 | 67.2° | 90.0° |
| H5 | C5 | C26 | H26 | 112.7° | 84.5° |
| N6 | C7 | O8 | C9 | 179.7° | 177.5° |
| N6 | C7 | C9 | C10 | 106.6° | 94.6° |
| N6 | C7 | C9 | N14 | 136.7° | 143.0° |
| N6 | C7 | C9 | H9 | 15.0° | 27.7° |
| HN6 | N6 | C7 | O8 | 178.0° | 179.3° |
| HN6 | N6 | C7 | C9 | 1.7° | 1.6° |
| O8 | C7 | C9 | C10 | 73.7° | 87.7° |
| O8 | C7 | C9 | N14 | 43.0° | 34.8° |
| O8 | C7 | C9 | H9 | 164.7° | 150.0° |
| C7 | C9 | C10 | N14 | 117.1° | 119.4° |
| C7 | C9 | C10 | H9 | 121.3° | 120.7° |
| C7 | C9 | N14 | H9 | 121.3° | 116.4° |
| C7 | C9 | C10 | C11 | 137.8° | 178.0° |
| C7 | C9 | C10 | H101 | 12.6° | 60.0° |
| C7 | C9 | C10 | H102 | 96.9° | 55.1° |
| C7 | C9 | N14 | C15 | 76.5° | 86.4° |
| C7 | C9 | N14 | H14 | 103.5° | 93.6° |
| C10 | C9 | N14 | H9 | 121.6° | 122.4° |
| C9 | C10 | C11 | H101 | 125.2° | 122.1° |
| C9 | C10 | C11 | H102 | 125.2° | 123.1° |
| C9 | C10 | H101 | H102 | 117.0° | 117.4° |
| C9 | C10 | C11 | C12 | 152.9° | 57.9° |
| C9 | C10 | C11 | C13 | 32.0° | 64.4° |
| C9 | C10 | C11 | H11 | 86.8° | 175.5° |
| C10 | C9 | N14 | C15 | 166.5° | 152.4° |
| C10 | C9 | N14 | H14 | 13.5° | 27.6° |
| N14 | C9 | C10 | C11 | 105.1° | 58.7° |
| N14 | C9 | C10 | H101 | 129.7° | 179.3° |
| N14 | C9 | C10 | H102 | 20.1° | 64.3° |
| C9 | N14 | C15 | H14 | 180.0° | 180.0° |
| C9 | N14 | C15 | O16 | 14.1° | 0.0° |
| C9 | N14 | C15 | O17 | 166.0° | 180.0° |
| H9 | C9 | C10 | C11 | 16.5° | 61.2° |
| H9 | C9 | C10 | H101 | 108.7° | 60.8° |
| H9 | C9 | C10 | H102 | 141.8° | 175.8° |
| H9 | C9 | N14 | C15 | 44.9° | 30.0° |
| H9 | C9 | N14 | H14 | 135.1° | 150.0° |
| C11 | C10 | H101 | H102 | 117.0° | 117.0° |
| C10 | C11 | C12 | C13 | 121.9° | 123.9° |
| C10 | C11 | C12 | H11 | 119.2° | 118.6° |
| C10 | C11 | C13 | H11 | 119.2° | 120.7° |
| C10 | C11 | C12 | H121 | 54.7° | 177.7° |
| C10 | C11 | C12 | H122 | 180.0° | 58.4° |
| C10 | C11 | C12 | H123 | 54.7° | 61.9° |
| C10 | C11 | C13 | H131 | 54.8° | 55.7° |
| C10 | C11 | C13 | H132 | 180.0° | 175.7° |
| C10 | C11 | C13 | H133 | 54.8° | 65.1° |
| H101 | C10 | C11 | C12 | 81.9° | 180.0° |
| H101 | C10 | C11 | C13 | 157.3° | 57.7° |
| H101 | C10 | C11 | H11 | 38.5° | 62.4° |
| H102 | C10 | C11 | C12 | 27.7° | 65.2° |
| H102 | C10 | C11 | C13 | 93.2° | 172.5° |
| H102 | C10 | C11 | H11 | 148.0° | 52.4° |
| C12 | C11 | C13 | H11 | 120.3° | 117.0° |
| C11 | C12 | H121 | H122 | 123.3° | 121.3° |
| C11 | C12 | H121 | H123 | 118.3° | 122.2° |
| C11 | C12 | H122 | H123 | 125.3° | 122.2° |
| C12 | C11 | C13 | H131 | 65.7° | 66.7° |
| C12 | C11 | C13 | H132 | 59.5° | 53.3° |
| C12 | C11 | C13 | H133 | 175.2° | 172.5° |
| C13 | C11 | C12 | H121 | 176.6° | 58.3° |
| C13 | C11 | C12 | H122 | 58.1° | 177.7° |
| C13 | C11 | C12 | H123 | 67.2° | 62.0° |
| C11 | C13 | H131 | H132 | 125.1° | 121.7° |
| C11 | C13 | H131 | H133 | 117.5° | 122.7° |
| C11 | C13 | H132 | H133 | 125.3° | 121.7° |
| H11 | C11 | C12 | H121 | 64.5° | 59.1° |
| H11 | C11 | C12 | H122 | 60.8° | 60.3° |
| H11 | C11 | C12 | H123 | 174.0° | 179.4° |
| H11 | C11 | C13 | H131 | 173.9° | 176.3° |
| H11 | C11 | C13 | H132 | 60.8° | 63.7° |
| H11 | C11 | C13 | H133 | 64.4° | 55.5° |
| H121 | C12 | H122 | H123 | 109.5° | 116.5° |
| H131 | C13 | H132 | H133 | 109.5° | 116.3° |
| N14 | C15 | O16 | O17 | 179.9° | 179.9° |
| N14 | C15 | O17 | C18 | 154.3° | 180.0° |
| H14 | N14 | C15 | O16 | 165.8° | 180.0° |
| H14 | N14 | C15 | O17 | 14.0° | 0.1° |
| O16 | C15 | O17 | C18 | 25.6° | 0.1° |
| C15 | O17 | C18 | C19 | 140.3° | 180.0° |
| C15 | O17 | C18 | H181 | 15.0° | 58.7° |
| C15 | O17 | C18 | H182 | 94.5° | 58.9° |
| O17 | C18 | C19 | H181 | 125.3° | 120.1° |
| O17 | C18 | C19 | H182 | 125.3° | 120.1° |
| O17 | C18 | H181 | H182 | 118.1° | 118.4° |
| O17 | C18 | C19 | C20 | 179.3° | 89.9° |
| O17 | C18 | C19 | C25 | 0.6° | 90.0° |
| C19 | C18 | H181 | H182 | 118.1° | 121.5° |
| C18 | C19 | C20 | C25 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 179.8° | 180.0° |
| C18 | C19 | C20 | H20 | 0.2° | 0.0° |
| C18 | C19 | C25 | C24 | 179.8° | 179.9° |
| C18 | C19 | C25 | H25 | 0.1° | 0.0° |
| H181 | C18 | C19 | C20 | 55.4° | 30.2° |
| H181 | C18 | C19 | C25 | 124.6° | 149.8° |
| H182 | C18 | C19 | C20 | 54.0° | 149.9° |
| H182 | C18 | C19 | C25 | 125.9° | 30.1° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.2° | 0.0° |
| C19 | C20 | C21 | H21 | 179.8° | 180.0° |
| C20 | C19 | C25 | C24 | 0.2° | 0.1° |
| C20 | C19 | C25 | H25 | 179.8° | 180.0° |
| C25 | C19 | C20 | C21 | 0.2° | 0.0° |
| C25 | C19 | C20 | H20 | 179.8° | 180.0° |
| C19 | C25 | C24 | C22 | 0.2° | 0.0° |
| C19 | C25 | C24 | H25 | 180.0° | 180.0° |
| C19 | C25 | C24 | H24 | 179.8° | 180.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | BR2 | 179.8° | 180.0° |
| C20 | C21 | C22 | C24 | 0.2° | 0.1° |
| H20 | C20 | C21 | C22 | 179.8° | 180.0° |
| H20 | C20 | C21 | H21 | 0.2° | 0.0° |
| C21 | C22 | BR2 | C24 | 179.7° | 179.9° |
| C21 | C22 | C24 | C25 | 0.1° | 0.0° |
| C21 | C22 | C24 | H24 | 179.8° | 180.0° |
| H21 | C21 | C22 | BR2 | 0.1° | 0.1° |
| H21 | C21 | C22 | C24 | 179.8° | 180.0° |
| BR2 | C22 | C24 | C25 | 179.8° | 180.0° |
| BR2 | C22 | C24 | H24 | 0.2° | 0.0° |
| C22 | C24 | C25 | H24 | 180.0° | 180.0° |
| C22 | C24 | C25 | H25 | 179.9° | 180.0° |
| H24 | C24 | C25 | H25 | 0.2° | 0.0° |
| H11A | C1 | H12 | H13 | 109.5° | 116.9° |
