MYS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C15 | H153 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 122.5° | 109.4° |
| C2 | C1 | H12 | 107.6° | 109.5° |
| C2 | C1 | H13 | 107.6° | 109.5° |
| C1 | C2 | C3 | 122.4° | 109.5° |
| C1 | C2 | H21 | 107.6° | 109.4° |
| C1 | C2 | H22 | 107.6° | 109.5° |
| H11 | C1 | H12 | 107.6° | 109.4° |
| H11 | C1 | H13 | 107.6° | 109.5° |
| H12 | C1 | H13 | 102.1° | 109.5° |
| C3 | C2 | H21 | 107.6° | 109.4° |
| C3 | C2 | H22 | 107.6° | 109.5° |
| C2 | C3 | C4 | 121.7° | 109.5° |
| C2 | C3 | H31 | 107.8° | 109.4° |
| C2 | C3 | H32 | 107.9° | 109.5° |
| H21 | C2 | H22 | 102.2° | 109.5° |
| C4 | C3 | H31 | 107.8° | 109.4° |
| C4 | C3 | H32 | 107.8° | 109.5° |
| C3 | C4 | C5 | 111.3° | 109.5° |
| C3 | C4 | H41 | 111.6° | 109.4° |
| C3 | C4 | H42 | 111.6° | 109.5° |
| H31 | C3 | H32 | 102.1° | 109.5° |
| C5 | C4 | H41 | 111.5° | 109.4° |
| C5 | C4 | H42 | 111.5° | 109.5° |
| C4 | C5 | C6 | 119.1° | 109.5° |
| C4 | C5 | H51 | 108.8° | 109.4° |
| C4 | C5 | H52 | 108.8° | 109.5° |
| H41 | C4 | H42 | 98.7° | 109.5° |
| C6 | C5 | H51 | 108.7° | 109.4° |
| C6 | C5 | H52 | 108.7° | 109.5° |
| C5 | C6 | C7 | 117.9° | 109.5° |
| C5 | C6 | H61 | 109.2° | 109.4° |
| C5 | C6 | H62 | 109.2° | 109.5° |
| H51 | C5 | H52 | 101.4° | 109.5° |
| C7 | C6 | H61 | 109.1° | 109.4° |
| C7 | C6 | H62 | 109.2° | 109.5° |
| C6 | C7 | C8 | 119.8° | 109.5° |
| C6 | C7 | H71 | 108.5° | 109.4° |
| C6 | C7 | H72 | 108.5° | 109.5° |
| H61 | C6 | H62 | 100.9° | 109.5° |
| C8 | C7 | H71 | 108.5° | 109.4° |
| C8 | C7 | H72 | 108.5° | 109.5° |
| C7 | C8 | C9 | 123.0° | 109.5° |
| C7 | C8 | H81 | 107.5° | 109.4° |
| C7 | C8 | H82 | 107.5° | 109.5° |
| H71 | C7 | H72 | 101.5° | 109.5° |
| C9 | C8 | H81 | 107.4° | 109.4° |
| C9 | C8 | H82 | 107.4° | 109.5° |
| C8 | C9 | C10 | 105.6° | 109.5° |
| C8 | C9 | H91 | 113.7° | 109.4° |
| C8 | C9 | H92 | 113.7° | 109.5° |
| H81 | C8 | H82 | 102.3° | 109.5° |
| C10 | C9 | H91 | 113.6° | 109.4° |
| C10 | C9 | H92 | 113.6° | 109.5° |
| C9 | C10 | C11 | 122.8° | 109.5° |
| C9 | C10 | H101 | 107.5° | 109.4° |
| C9 | C10 | H102 | 107.5° | 109.5° |
| H91 | C9 | H92 | 96.8° | 109.5° |
| C11 | C10 | H101 | 107.5° | 109.4° |
| C11 | C10 | H102 | 107.4° | 109.5° |
| C10 | C11 | C12 | 111.7° | 109.5° |
| C10 | C11 | H111 | 111.5° | 109.4° |
| C10 | C11 | H112 | 111.4° | 109.5° |
| H101 | C10 | H102 | 102.3° | 109.5° |
| C12 | C11 | H111 | 111.4° | 109.4° |
| C12 | C11 | H112 | 111.4° | 109.5° |
| C11 | C12 | C13 | 110.9° | 109.5° |
| C11 | C12 | H121 | 111.7° | 109.4° |
| C11 | C12 | H122 | 111.7° | 109.5° |
| H111 | C11 | H112 | 98.9° | 109.5° |
| C13 | C12 | H121 | 111.6° | 109.4° |
| C13 | C12 | H122 | 111.6° | 109.5° |
| C12 | C13 | C14 | 115.9° | 109.5° |
| C12 | C13 | H131 | 109.9° | 109.4° |
| C12 | C13 | H132 | 109.9° | 109.5° |
| H121 | C12 | H122 | 98.8° | 109.5° |
| C14 | C13 | H131 | 109.9° | 109.4° |
| C14 | C13 | H132 | 109.9° | 109.5° |
| C13 | C14 | C15 | 125.1° | 109.5° |
| C13 | C14 | H141 | 106.7° | 109.4° |
| C13 | C14 | H142 | 106.7° | 109.5° |
| H131 | C13 | H132 | 100.3° | 109.5° |
| C15 | C14 | H141 | 106.7° | 109.4° |
| C15 | C14 | H142 | 106.7° | 109.5° |
| C14 | C15 | H151 | 125.1° | 109.5° |
| C14 | C15 | H152 | 106.7° | 109.4° |
| C14 | C15 | H153 | 106.7° | 109.5° |
| H141 | C14 | H142 | 102.9° | 109.5° |
| H151 | C15 | H152 | 106.6° | 109.4° |
| H151 | C15 | H153 | 106.7° | 109.5° |
| H152 | C15 | H153 | 102.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 125.4° | 120.0° |
| C2 | C1 | H11 | H13 | 125.3° | 120.0° |
| C2 | C1 | H12 | H13 | 113.1° | 120.1° |
| C1 | C2 | C3 | H21 | 125.3° | 119.9° |
| C1 | C2 | C3 | H22 | 125.2° | 120.1° |
| C1 | C2 | H21 | H22 | 113.1° | 120.0° |
| C1 | C2 | C3 | C4 | 57.9° | 180.0° |
| C1 | C2 | C3 | H31 | 67.3° | 60.1° |
| C1 | C2 | C3 | H32 | 176.9° | 59.9° |
| H11 | C1 | H12 | H13 | 113.1° | 120.0° |
| H11 | C1 | C2 | C3 | 180.0° | 60.1° |
| H11 | C1 | C2 | H21 | 54.8° | 180.0° |
| H11 | C1 | C2 | H22 | 54.7° | 60.0° |
| H12 | C1 | C2 | C3 | 54.7° | 180.0° |
| H12 | C1 | C2 | H21 | 70.6° | 60.1° |
| H12 | C1 | C2 | H22 | 179.9° | 59.9° |
| H13 | C1 | C2 | C3 | 54.7° | 59.9° |
| H13 | C1 | C2 | H21 | 180.0° | 60.0° |
| H13 | C1 | C2 | H22 | 70.5° | 180.0° |
| C3 | C2 | H21 | H22 | 113.2° | 120.0° |
| C2 | C3 | C4 | H31 | 125.2° | 119.9° |
| C2 | C3 | C4 | H32 | 125.3° | 120.1° |
| C2 | C3 | H31 | H32 | 113.5° | 120.0° |
| C2 | C3 | C4 | C5 | 177.4° | NaN° |
| C2 | C3 | C4 | H41 | 52.1° | 60.1° |
| C2 | C3 | C4 | H42 | 57.3° | 59.9° |
| H21 | C2 | C3 | C4 | 176.9° | 60.1° |
| H21 | C2 | C3 | H31 | 57.9° | 180.0° |
| H21 | C2 | C3 | H32 | 51.6° | 60.0° |
| H22 | C2 | C3 | C4 | 67.4° | 59.9° |
| H22 | C2 | C3 | H31 | 167.4° | 60.0° |
| H22 | C2 | C3 | H32 | 57.9° | 180.0° |
| C4 | C3 | H31 | H32 | 113.4° | 120.0° |
| C3 | C4 | C5 | H41 | 125.3° | 119.9° |
| C3 | C4 | C5 | H42 | 125.3° | 120.1° |
| C3 | C4 | H41 | H42 | 117.5° | 120.0° |
| C3 | C4 | C5 | C6 | 176.9° | 180.0° |
| C3 | C4 | C5 | H51 | 51.7° | 60.1° |
| C3 | C4 | C5 | H52 | 57.9° | 59.9° |
| H31 | C3 | C4 | C5 | 57.3° | 60.1° |
| H31 | C3 | C4 | H41 | 177.4° | 180.0° |
| H31 | C3 | C4 | H42 | 68.0° | 60.0° |
| H32 | C3 | C4 | C5 | 52.2° | 59.9° |
| H32 | C3 | C4 | H41 | 73.1° | 60.0° |
| H32 | C3 | C4 | H42 | 177.5° | 180.0° |
| C5 | C4 | H41 | H42 | 117.4° | 120.0° |
| C4 | C5 | C6 | H51 | 125.2° | 119.9° |
| C4 | C5 | C6 | H52 | 125.2° | 120.1° |
| C4 | C5 | H51 | H52 | 114.5° | 120.0° |
| C4 | C5 | C6 | C7 | 176.5° | 180.0° |
| C4 | C5 | C6 | H61 | 51.3° | 60.1° |
| C4 | C5 | C6 | H62 | 58.2° | 59.9° |
| H41 | C4 | C5 | C6 | 57.8° | 60.1° |
| H41 | C4 | C5 | H51 | 177.0° | 180.0° |
| H41 | C4 | C5 | H52 | 67.5° | 60.0° |
| H42 | C4 | C5 | C6 | 51.6° | 59.9° |
| H42 | C4 | C5 | H51 | 73.6° | 60.0° |
| H42 | C4 | C5 | H52 | 176.8° | 180.0° |
| C6 | C5 | H51 | H52 | 114.4° | 120.0° |
| C5 | C6 | C7 | H61 | 125.3° | 119.9° |
| C5 | C6 | C7 | H62 | 125.3° | 120.1° |
| C5 | C6 | H61 | H62 | 114.9° | 120.0° |
| C5 | C6 | C7 | C8 | 177.8° | 180.0° |
| C5 | C6 | C7 | H71 | 52.6° | 60.1° |
| C5 | C6 | C7 | H72 | 57.0° | 59.9° |
| H51 | C5 | C6 | C7 | 58.2° | 60.1° |
| H51 | C5 | C6 | H61 | 176.5° | 180.0° |
| H51 | C5 | C6 | H62 | 67.0° | 60.0° |
| H52 | C5 | C6 | C7 | 51.3° | 59.9° |
| H52 | C5 | C6 | H61 | 74.0° | 60.0° |
| H52 | C5 | C6 | H62 | 176.6° | 180.0° |
| C7 | C6 | H61 | H62 | 114.9° | 120.0° |
| C6 | C7 | C8 | H71 | 125.2° | 119.9° |
| C6 | C7 | C8 | H72 | 125.2° | 120.1° |
| C6 | C7 | H71 | H72 | 114.2° | 120.0° |
| C6 | C7 | C8 | C9 | 60.7° | 180.0° |
| C6 | C7 | C8 | H81 | 174.0° | 60.1° |
| C6 | C7 | C8 | H82 | 64.6° | 59.9° |
| H61 | C6 | C7 | C8 | 56.9° | 60.1° |
| H61 | C6 | C7 | H71 | 177.9° | 180.0° |
| H61 | C6 | C7 | H72 | 68.4° | 60.0° |
| H62 | C6 | C7 | C8 | 52.5° | 59.9° |
| H62 | C6 | C7 | H71 | 72.7° | 60.0° |
| H62 | C6 | C7 | H72 | 177.8° | 180.0° |
| C8 | C7 | H71 | H72 | 114.1° | 120.0° |
| C7 | C8 | C9 | H81 | 125.3° | 119.9° |
| C7 | C8 | C9 | H82 | 125.3° | 120.1° |
| C7 | C8 | H81 | H82 | 113.0° | 120.0° |
| C7 | C8 | C9 | C10 | 177.1° | 180.0° |
| C7 | C8 | C9 | H91 | 51.9° | 60.1° |
| C7 | C8 | C9 | H92 | 57.6° | 59.9° |
| H71 | C7 | C8 | C9 | 64.6° | 60.1° |
| H71 | C7 | C8 | H81 | 60.7° | 180.0° |
| H71 | C7 | C8 | H82 | 170.2° | 60.0° |
| H72 | C7 | C8 | C9 | 174.1° | 59.9° |
| H72 | C7 | C8 | H81 | 48.8° | 60.0° |
| H72 | C7 | C8 | H82 | 60.7° | 180.0° |
| C9 | C8 | H81 | H82 | 112.9° | 120.0° |
| C8 | C9 | C10 | H91 | 125.3° | 119.9° |
| C8 | C9 | C10 | H92 | 125.3° | 120.1° |
| C8 | C9 | H91 | H92 | 119.6° | 120.0° |
| C8 | C9 | C10 | C11 | 175.8° | 180.0° |
| C8 | C9 | C10 | H101 | 50.5° | 60.1° |
| C8 | C9 | C10 | H102 | 59.0° | 59.9° |
| H81 | C8 | C9 | C10 | 57.6° | 60.1° |
| H81 | C8 | C9 | H91 | 177.2° | 180.0° |
| H81 | C8 | C9 | H92 | 67.7° | 60.0° |
| H82 | C8 | C9 | C10 | 51.8° | 59.9° |
| H82 | C8 | C9 | H91 | 73.4° | 60.0° |
| H82 | C8 | C9 | H92 | 177.1° | 180.0° |
| C10 | C9 | H91 | H92 | 119.6° | 120.0° |
| C9 | C10 | C11 | H101 | 125.3° | 119.9° |
| C9 | C10 | C11 | H102 | 125.3° | 120.1° |
| C9 | C10 | H101 | H102 | 113.1° | 120.0° |
| C9 | C10 | C11 | C12 | 56.0° | 180.0° |
| C9 | C10 | C11 | H111 | 69.3° | 60.1° |
| C9 | C10 | C11 | H112 | 178.8° | 59.9° |
| H91 | C9 | C10 | C11 | 58.9° | 60.1° |
| H91 | C9 | C10 | H101 | 175.8° | 180.0° |
| H91 | C9 | C10 | H102 | 66.3° | 60.0° |
| H92 | C9 | C10 | C11 | 50.5° | 59.9° |
| H92 | C9 | C10 | H101 | 74.7° | 60.0° |
| H92 | C9 | C10 | H102 | 175.8° | 180.0° |
| C11 | C10 | H101 | H102 | 113.0° | 120.0° |
| C10 | C11 | C12 | H111 | 125.3° | 119.9° |
| C10 | C11 | C12 | H112 | 125.3° | 120.1° |
| C10 | C11 | H111 | H112 | 117.3° | 120.0° |
| C10 | C11 | C12 | C13 | 178.2° | 180.0° |
| C10 | C11 | C12 | H121 | 53.0° | 60.1° |
| C10 | C11 | C12 | H122 | 56.5° | 59.9° |
| H101 | C10 | C11 | C12 | 178.7° | 60.1° |
| H101 | C10 | C11 | H111 | 56.0° | 180.0° |
| H101 | C10 | C11 | H112 | 53.5° | 60.0° |
| H102 | C10 | C11 | C12 | 69.3° | 59.9° |
| H102 | C10 | C11 | H111 | 165.4° | 60.0° |
| H102 | C10 | C11 | H112 | 56.0° | 180.0° |
| C12 | C11 | H111 | H112 | 117.2° | 120.0° |
| C11 | C12 | C13 | H121 | 125.2° | 119.9° |
| C11 | C12 | C13 | H122 | 125.3° | 120.1° |
| C11 | C12 | H121 | H122 | 117.6° | 120.0° |
| C11 | C12 | C13 | C14 | 176.8° | NaN° |
| C11 | C12 | C13 | H131 | 51.5° | 60.1° |
| C11 | C12 | C13 | H132 | 58.0° | 59.9° |
| H111 | C11 | C12 | C13 | 56.4° | 60.1° |
| H111 | C11 | C12 | H121 | 178.4° | 180.0° |
| H111 | C11 | C12 | H122 | 68.8° | 60.0° |
| H112 | C11 | C12 | C13 | 53.0° | 59.9° |
| H112 | C11 | C12 | H121 | 72.3° | 60.0° |
| H112 | C11 | C12 | H122 | 178.2° | 180.0° |
| C13 | C12 | H121 | H122 | 117.6° | 120.0° |
| C12 | C13 | C14 | H131 | 125.3° | 119.9° |
| C12 | C13 | C14 | H132 | 125.3° | 120.1° |
| C12 | C13 | H131 | H132 | 115.7° | 120.0° |
| C12 | C13 | C14 | C15 | 57.8° | 180.0° |
| C12 | C13 | C14 | H141 | 67.5° | 60.1° |
| C12 | C13 | C14 | H142 | 177.0° | 59.9° |
| H121 | C12 | C13 | C14 | 58.0° | 60.1° |
| H121 | C12 | C13 | H131 | 176.8° | 180.0° |
| H121 | C12 | C13 | H132 | 67.3° | 60.0° |
| H122 | C12 | C13 | C14 | 51.5° | 59.9° |
| H122 | C12 | C13 | H131 | 73.7° | 60.0° |
| H122 | C12 | C13 | H132 | 176.8° | NaN° |
| C14 | C13 | H131 | H132 | 115.6° | 120.0° |
| C13 | C14 | C15 | H141 | 125.3° | 119.9° |
| C13 | C14 | C15 | H142 | 125.3° | 120.1° |
| C13 | C14 | H141 | H142 | 112.1° | 120.0° |
| C13 | C14 | C15 | H151 | 180.0° | 180.0° |
| C13 | C14 | C15 | H152 | 54.8° | 60.1° |
| C13 | C14 | C15 | H153 | 54.7° | 59.9° |
| H131 | C13 | C14 | C15 | 176.9° | 60.1° |
| H131 | C13 | C14 | H141 | 57.8° | 180.0° |
| H131 | C13 | C14 | H142 | 51.7° | 60.0° |
| H132 | C13 | C14 | C15 | 67.5° | 59.9° |
| H132 | C13 | C14 | H141 | 167.2° | 60.0° |
| H132 | C13 | C14 | H142 | 57.7° | 180.0° |
| C15 | C14 | H141 | H142 | 112.1° | 120.0° |
| C14 | C15 | H151 | H152 | 125.2° | 119.9° |
| C14 | C15 | H151 | H153 | 125.3° | 120.1° |
| C14 | C15 | H152 | H153 | 112.1° | 120.0° |
| H141 | C14 | C15 | H151 | 54.7° | 60.1° |
| H141 | C14 | C15 | H152 | 179.9° | 180.0° |
| H141 | C14 | C15 | H153 | 70.6° | 60.0° |
| H142 | C14 | C15 | H151 | 54.7° | 59.9° |
| H142 | C14 | C15 | H152 | 70.5° | 60.0° |
| H142 | C14 | C15 | H153 | 180.0° | 180.0° |
| H151 | C15 | H152 | H153 | 112.1° | 120.0° |
