MYR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.20Å | |
| C1 | O2 | sing | 1.34Å | 1.29Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 120.7° | 120.0° |
| O1 | C1 | C2 | 123.9° | 120.0° |
| O2 | C1 | C2 | 115.5° | 120.0° |
| C1 | O2 | HO2 | 109.5° | 117.0° |
| C1 | C2 | C3 | 114.9° | 109.4° |
| C1 | C2 | H21 | 108.1° | 109.5° |
| C1 | C2 | H22 | 108.1° | 109.4° |
| C3 | C2 | H21 | 108.1° | 109.5° |
| C3 | C2 | H22 | 108.1° | 109.4° |
| C2 | C3 | C4 | 114.6° | 109.4° |
| C2 | C3 | H31 | 108.2° | 109.5° |
| C2 | C3 | H32 | 108.2° | 109.4° |
| H21 | C2 | H22 | 109.5° | 109.5° |
| C4 | C3 | H31 | 108.2° | 109.5° |
| C4 | C3 | H32 | 108.2° | 109.5° |
| C3 | C4 | C5 | 114.8° | 109.4° |
| C3 | C4 | H41 | 108.2° | 109.5° |
| C3 | C4 | H42 | 108.1° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| C5 | C4 | H41 | 108.1° | 109.5° |
| C5 | C4 | H42 | 108.1° | 109.5° |
| C4 | C5 | C6 | 110.6° | 109.5° |
| C4 | C5 | H51 | 109.2° | 109.5° |
| C4 | C5 | H52 | 109.2° | 109.5° |
| H41 | C4 | H42 | 109.5° | 109.5° |
| C6 | C5 | H51 | 109.2° | 109.4° |
| C6 | C5 | H52 | 109.2° | 109.5° |
| C5 | C6 | C7 | 115.7° | 109.5° |
| C5 | C6 | H61 | 107.9° | 109.5° |
| C5 | C6 | H62 | 107.9° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.4° |
| C7 | C6 | H61 | 107.9° | 109.5° |
| C7 | C6 | H62 | 107.9° | 109.5° |
| C6 | C7 | C8 | 110.1° | 109.5° |
| C6 | C7 | H71 | 109.3° | 109.5° |
| C6 | C7 | H72 | 109.3° | 109.5° |
| H61 | C6 | H62 | 109.4° | 109.4° |
| C8 | C7 | H71 | 109.3° | 109.5° |
| C8 | C7 | H72 | 109.3° | 109.5° |
| C7 | C8 | C9 | 112.3° | 109.5° |
| C7 | C8 | H81 | 108.8° | 109.5° |
| C7 | C8 | H82 | 108.7° | 109.4° |
| H71 | C7 | H72 | 109.5° | 109.4° |
| C9 | C8 | H81 | 108.7° | 109.5° |
| C9 | C8 | H82 | 108.8° | 109.4° |
| C8 | C9 | C10 | 113.6° | 109.5° |
| C8 | C9 | H91 | 108.4° | 109.5° |
| C8 | C9 | H92 | 108.5° | 109.4° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| C10 | C9 | H91 | 108.4° | 109.4° |
| C10 | C9 | H92 | 108.4° | 109.5° |
| C9 | C10 | C11 | 111.2° | 109.5° |
| C9 | C10 | H101 | 109.1° | 109.5° |
| C9 | C10 | H102 | 109.1° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| C11 | C10 | H101 | 109.1° | 109.5° |
| C11 | C10 | H102 | 109.1° | 109.5° |
| C10 | C11 | C12 | 116.2° | 109.5° |
| C10 | C11 | H111 | 107.8° | 109.5° |
| C10 | C11 | H112 | 107.7° | 109.5° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| C12 | C11 | H111 | 107.8° | 109.5° |
| C12 | C11 | H112 | 107.8° | 109.4° |
| C11 | C12 | C13 | 109.6° | 109.5° |
| C11 | C12 | H121 | 109.4° | 109.5° |
| C11 | C12 | H122 | 109.4° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| C13 | C12 | H121 | 109.5° | 109.5° |
| C13 | C12 | H122 | 109.5° | 109.5° |
| C12 | C13 | C14 | 115.2° | 109.4° |
| C12 | C13 | H131 | 108.1° | 109.5° |
| C12 | C13 | H132 | 108.0° | 109.4° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| C14 | C13 | H131 | 108.0° | 109.5° |
| C14 | C13 | H132 | 108.0° | 109.5° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H142 | 109.5° | 109.4° |
| C13 | C14 | H143 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.4° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 179.3° | 179.8° |
| O1 | C1 | O2 | HO2 | 0.0° | 0.0° |
| O1 | C1 | C2 | C3 | 62.7° | 0.1° |
| O1 | C1 | C2 | H21 | 58.1° | 119.9° |
| O1 | C1 | C2 | H22 | 176.5° | 120.0° |
| O2 | C1 | C2 | C3 | 118.1° | 179.7° |
| O2 | C1 | C2 | H21 | 121.1° | 60.3° |
| O2 | C1 | C2 | H22 | 2.8° | 59.8° |
| C2 | C1 | O2 | HO2 | 179.3° | 179.8° |
| C1 | C2 | C3 | H21 | 120.8° | 120.0° |
| C1 | C2 | C3 | H22 | 120.8° | 119.9° |
| C1 | C2 | H21 | H22 | 117.5° | 120.0° |
| C1 | C2 | C3 | C4 | 62.9° | 180.0° |
| C1 | C2 | C3 | H31 | 57.9° | 60.0° |
| C1 | C2 | C3 | H32 | 176.4° | 60.1° |
| C3 | C2 | H21 | H22 | 117.5° | 120.0° |
| C2 | C3 | C4 | H31 | 120.8° | 120.0° |
| C2 | C3 | C4 | H32 | 120.7° | 119.9° |
| C2 | C3 | H31 | H32 | 117.7° | 120.0° |
| C2 | C3 | C4 | C5 | 177.0° | 180.0° |
| C2 | C3 | C4 | H41 | 56.3° | 60.0° |
| C2 | C3 | C4 | H42 | 62.2° | 60.0° |
| H21 | C2 | C3 | C4 | 176.3° | 60.0° |
| H21 | C2 | C3 | H31 | 62.9° | 180.0° |
| H21 | C2 | C3 | H32 | 55.6° | 60.0° |
| H22 | C2 | C3 | C4 | 57.9° | 60.0° |
| H22 | C2 | C3 | H31 | 178.7° | 59.9° |
| H22 | C2 | C3 | H32 | 62.8° | 180.0° |
| C4 | C3 | H31 | H32 | 117.7° | 120.1° |
| C3 | C4 | C5 | H41 | 120.8° | 120.0° |
| C3 | C4 | C5 | H42 | 120.8° | 120.0° |
| C3 | C4 | H41 | H42 | 117.6° | 120.0° |
| C3 | C4 | C5 | C6 | 164.0° | 180.0° |
| C3 | C4 | C5 | H51 | 75.8° | 60.0° |
| C3 | C4 | C5 | H52 | 43.8° | 59.9° |
| H31 | C3 | C4 | C5 | 62.2° | 60.1° |
| H31 | C3 | C4 | H41 | 177.0° | 180.0° |
| H31 | C3 | C4 | H42 | 58.6° | 59.9° |
| H32 | C3 | C4 | C5 | 56.3° | 60.0° |
| H32 | C3 | C4 | H41 | 64.5° | 59.9° |
| H32 | C3 | C4 | H42 | 177.1° | 180.0° |
| C5 | C4 | H41 | H42 | 117.6° | 120.0° |
| C4 | C5 | C6 | H51 | 120.2° | 120.0° |
| C4 | C5 | C6 | H52 | 120.2° | 120.1° |
| C4 | C5 | H51 | H52 | 119.5° | 120.0° |
| C4 | C5 | C6 | C7 | 146.0° | 180.0° |
| C4 | C5 | C6 | H61 | 25.1° | 60.0° |
| C4 | C5 | C6 | H62 | 93.1° | 60.0° |
| H41 | C4 | C5 | C6 | 43.2° | 60.0° |
| H41 | C4 | C5 | H51 | 163.4° | 180.0° |
| H41 | C4 | C5 | H52 | 77.0° | 60.0° |
| H42 | C4 | C5 | C6 | 75.2° | 60.0° |
| H42 | C4 | C5 | H51 | 44.9° | 60.0° |
| H42 | C4 | C5 | H52 | 164.6° | 180.0° |
| C6 | C5 | H51 | H52 | 119.5° | 120.0° |
| C5 | C6 | C7 | H61 | 120.9° | 120.0° |
| C5 | C6 | C7 | H62 | 120.9° | 120.0° |
| C5 | C6 | H61 | H62 | 117.2° | 120.0° |
| C5 | C6 | C7 | C8 | 136.6° | 180.0° |
| C5 | C6 | C7 | H71 | 103.3° | 60.0° |
| C5 | C6 | C7 | H72 | 16.5° | 60.0° |
| H51 | C5 | C6 | C7 | 93.9° | 60.0° |
| H51 | C5 | C6 | H61 | 145.2° | 180.0° |
| H51 | C5 | C6 | H62 | 27.1° | 60.0° |
| H52 | C5 | C6 | C7 | 25.8° | 60.0° |
| H52 | C5 | C6 | H61 | 95.1° | 60.1° |
| H52 | C5 | C6 | H62 | 146.7° | 180.0° |
| C7 | C6 | H61 | H62 | 117.2° | 120.0° |
| C6 | C7 | C8 | H71 | 120.1° | 120.1° |
| C6 | C7 | C8 | H72 | 120.1° | 120.0° |
| C6 | C7 | H71 | H72 | 119.7° | 120.0° |
| C6 | C7 | C8 | C9 | 134.2° | 180.0° |
| C6 | C7 | C8 | H81 | 105.4° | 60.0° |
| C6 | C7 | C8 | H82 | 13.8° | 60.1° |
| H61 | C6 | C7 | C8 | 15.7° | 59.9° |
| H61 | C6 | C7 | H71 | 135.8° | 180.0° |
| H61 | C6 | C7 | H72 | 104.4° | 60.0° |
| H62 | C6 | C7 | C8 | 102.5° | 60.0° |
| H62 | C6 | C7 | H71 | 17.7° | 60.0° |
| H62 | C6 | C7 | H72 | 137.4° | 180.0° |
| C8 | C7 | H71 | H72 | 119.7° | 120.0° |
| C7 | C8 | C9 | H81 | 120.4° | 120.0° |
| C7 | C8 | C9 | H82 | 120.4° | 119.9° |
| C7 | C8 | H81 | H82 | 118.7° | 120.0° |
| C7 | C8 | C9 | C10 | 157.7° | 180.0° |
| C7 | C8 | C9 | H91 | 37.2° | 60.0° |
| C7 | C8 | C9 | H92 | 81.7° | 60.1° |
| H71 | C7 | C8 | C9 | 14.1° | 59.9° |
| H71 | C7 | C8 | H81 | 134.5° | 180.0° |
| H71 | C7 | C8 | H82 | 106.3° | 60.0° |
| H72 | C7 | C8 | C9 | 105.7° | 60.0° |
| H72 | C7 | C8 | H81 | 14.7° | 60.0° |
| H72 | C7 | C8 | H82 | 133.8° | 180.0° |
| C9 | C8 | H81 | H82 | 118.7° | 120.0° |
| C8 | C9 | C10 | H91 | 120.6° | 120.0° |
| C8 | C9 | C10 | H92 | 120.6° | 120.0° |
| C8 | C9 | H91 | H92 | 118.2° | 120.0° |
| C8 | C9 | C10 | C11 | 95.7° | 180.0° |
| C8 | C9 | C10 | H101 | 24.5° | 60.0° |
| C8 | C9 | C10 | H102 | 144.0° | 60.0° |
| H81 | C8 | C9 | C10 | 81.9° | 60.0° |
| H81 | C8 | C9 | H91 | 157.5° | 180.0° |
| H81 | C8 | C9 | H92 | 38.7° | 60.0° |
| H82 | C8 | C9 | C10 | 37.3° | 60.0° |
| H82 | C8 | C9 | H91 | 83.3° | 59.9° |
| H82 | C8 | C9 | H92 | 157.9° | 180.0° |
| C10 | C9 | H91 | H92 | 118.1° | 120.0° |
| C9 | C10 | C11 | H101 | 120.3° | 120.0° |
| C9 | C10 | C11 | H102 | 120.3° | 120.0° |
| C9 | C10 | H101 | H102 | 119.2° | 120.0° |
| C9 | C10 | C11 | C12 | 165.7° | 180.0° |
| C9 | C10 | C11 | H111 | 73.3° | 60.0° |
| C9 | C10 | C11 | H112 | 44.7° | 60.0° |
| H91 | C9 | C10 | C11 | 143.7° | 60.0° |
| H91 | C9 | C10 | H101 | 96.1° | 180.0° |
| H91 | C9 | C10 | H102 | 23.4° | 60.0° |
| H92 | C9 | C10 | C11 | 24.9° | 60.0° |
| H92 | C9 | C10 | H101 | 145.2° | 60.0° |
| H92 | C9 | C10 | H102 | 95.4° | 180.0° |
| C11 | C10 | H101 | H102 | 119.2° | 120.0° |
| C10 | C11 | C12 | H111 | 121.0° | 120.1° |
| C10 | C11 | C12 | H112 | 121.0° | 120.0° |
| C10 | C11 | H111 | H112 | 116.9° | 120.0° |
| C10 | C11 | C12 | C13 | 175.5° | 180.0° |
| C10 | C11 | C12 | H121 | 55.5° | 59.9° |
| C10 | C11 | C12 | H122 | 64.5° | 60.0° |
| H101 | C10 | C11 | C12 | 45.4° | 60.0° |
| H101 | C10 | C11 | H111 | 166.4° | 180.0° |
| H101 | C10 | C11 | H112 | 75.5° | 60.0° |
| H102 | C10 | C11 | C12 | 74.0° | 60.0° |
| H102 | C10 | C11 | H111 | 47.0° | 60.0° |
| H102 | C10 | C11 | H112 | 165.0° | 180.0° |
| C12 | C11 | H111 | H112 | 116.9° | 120.0° |
| C11 | C12 | C13 | H121 | 120.0° | 120.1° |
| C11 | C12 | C13 | H122 | 120.0° | 120.0° |
| C11 | C12 | H121 | H122 | 119.9° | 120.0° |
| C11 | C12 | C13 | C14 | 170.4° | 180.0° |
| C11 | C12 | C13 | H131 | 49.6° | 60.0° |
| C11 | C12 | C13 | H132 | 68.8° | 60.1° |
| H111 | C11 | C12 | C13 | 63.5° | 59.9° |
| H111 | C11 | C12 | H121 | 176.5° | 180.0° |
| H111 | C11 | C12 | H122 | 56.5° | 60.0° |
| H112 | C11 | C12 | C13 | 54.5° | 60.0° |
| H112 | C11 | C12 | H121 | 65.5° | 60.0° |
| H112 | C11 | C12 | H122 | 174.5° | 180.0° |
| C13 | C12 | H121 | H122 | 120.0° | 120.0° |
| C12 | C13 | C14 | H131 | 120.9° | 120.0° |
| C12 | C13 | C14 | H132 | 120.8° | 119.9° |
| C12 | C13 | H131 | H132 | 117.4° | 120.0° |
| C12 | C13 | C14 | H141 | 180.0° | 60.0° |
| C12 | C13 | C14 | H142 | 60.0° | 180.0° |
| C12 | C13 | C14 | H143 | 60.0° | 60.0° |
| H121 | C12 | C13 | C14 | 69.6° | 60.0° |
| H121 | C12 | C13 | H131 | 169.5° | 180.0° |
| H121 | C12 | C13 | H132 | 51.2° | 60.0° |
| H122 | C12 | C13 | C14 | 50.4° | 60.0° |
| H122 | C12 | C13 | H131 | 70.4° | 60.0° |
| H122 | C12 | C13 | H132 | 171.3° | 180.0° |
| C14 | C13 | H131 | H132 | 117.4° | 120.0° |
| C13 | C14 | H141 | H142 | 120.0° | 120.0° |
| C13 | C14 | H141 | H143 | 120.0° | 120.0° |
| C13 | C14 | H142 | H143 | 120.0° | 119.9° |
| H131 | C13 | C14 | H141 | 59.2° | 60.0° |
| H131 | C13 | C14 | H142 | 179.2° | 60.1° |
| H131 | C13 | C14 | H143 | 60.9° | 180.0° |
| H132 | C13 | C14 | H141 | 59.2° | 180.0° |
| H132 | C13 | C14 | H142 | 60.9° | 60.0° |
| H132 | C13 | C14 | H143 | 179.2° | 59.9° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
