TMH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C3 | C2 | doub | 1.31Å | 1.37Å | |
C3 | C4 | sing | 1.51Å | 1.55Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C2 | C1 | sing | 1.52Å | 1.60Å | |
C2 | C10 | sing | 1.51Å | 1.44Å | |
C1 | C6 | sing | 1.54Å | 1.63Å | |
C1 | C7 | sing | 1.55Å | 1.57Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C6 | C5 | sing | 1.54Å | 1.64Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C5 | C4 | sing | 1.53Å | 1.61Å | |
C5 | C7 | sing | 1.54Å | 1.53Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C4 | H41 | sing | 1.09Å | 1.10Å | |
C4 | H42 | sing | 1.09Å | 1.10Å | |
C7 | C8 | sing | 1.53Å | 1.48Å | |
C7 | C9 | sing | 1.53Å | 1.52Å | |
C8 | H81 | sing | 1.09Å | 1.10Å | |
C8 | H82 | sing | 1.09Å | 1.10Å | |
C8 | H83 | sing | 1.09Å | 1.10Å | |
C9 | H91 | sing | 1.09Å | 1.10Å | |
C9 | H92 | sing | 1.09Å | 1.10Å | |
C9 | H93 | sing | 1.09Å | 1.10Å | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C10 | H102 | sing | 1.09Å | 1.10Å | |
C10 | H103 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C3 | C4 | 116.5° | 119.6° |
C2 | C3 | H3 | 121.8° | 120.2° |
C3 | C2 | C1 | 117.0° | 117.4° |
C3 | C2 | C10 | 124.6° | 121.3° |
C4 | C3 | H3 | 121.8° | 120.2° |
C3 | C4 | C5 | 111.5° | 109.7° |
C3 | C4 | H41 | 109.0° | 109.5° |
C3 | C4 | H42 | 109.0° | 109.4° |
C1 | C2 | C10 | 118.5° | 121.3° |
C2 | C1 | C6 | 99.5° | 111.2° |
C2 | C1 | C7 | 122.8° | 108.7° |
C2 | C1 | H1 | 113.7° | 114.9° |
C2 | C10 | H101 | 109.5° | 109.5° |
C2 | C10 | H102 | 109.5° | 109.4° |
C2 | C10 | H103 | 109.5° | 109.5° |
C6 | C1 | C7 | 88.5° | 85.4° |
C6 | C1 | H1 | 113.3° | 116.1° |
C1 | C6 | C5 | 78.4° | 85.5° |
C1 | C6 | H61 | 116.6° | 113.9° |
C1 | C6 | H62 | 116.6° | 113.9° |
C7 | C1 | H1 | 114.2° | 116.9° |
C1 | C7 | C5 | 83.6° | 85.3° |
C1 | C7 | C8 | 110.1° | 113.9° |
C1 | C7 | C9 | 123.2° | 113.9° |
C5 | C6 | H61 | 116.6° | 113.9° |
C5 | C6 | H62 | 116.6° | 113.9° |
C6 | C5 | C4 | 103.2° | 110.8° |
C6 | C5 | C7 | 89.5° | 85.7° |
C6 | C5 | H5 | 112.3° | 115.0° |
H61 | C6 | H62 | 109.5° | 113.1° |
C4 | C5 | C7 | 121.4° | 112.8° |
C4 | C5 | H5 | 112.9° | 113.9° |
C5 | C4 | H41 | 108.9° | 109.4° |
C5 | C4 | H42 | 109.0° | 109.4° |
C7 | C5 | H5 | 114.1° | 115.6° |
C5 | C7 | C8 | 115.3° | 113.9° |
C5 | C7 | C9 | 113.7° | 113.9° |
H41 | C4 | H42 | 109.5° | 109.4° |
C8 | C7 | C9 | 109.3° | 113.2° |
C7 | C8 | H81 | 109.5° | 109.5° |
C7 | C8 | H82 | 109.5° | 109.4° |
C7 | C8 | H83 | 109.5° | 109.5° |
C7 | C9 | H91 | 109.5° | 109.5° |
C7 | C9 | H92 | 109.5° | 109.5° |
C7 | C9 | H93 | 109.5° | 109.5° |
H81 | C8 | H82 | 109.5° | 109.5° |
H81 | C8 | H83 | 109.5° | 109.5° |
H82 | C8 | H83 | 109.5° | 109.5° |
H91 | C9 | H92 | 109.5° | 109.5° |
H91 | C9 | H93 | 109.4° | 109.4° |
H92 | C9 | H93 | 109.4° | 109.5° |
H101 | C10 | H102 | 109.4° | 109.5° |
H101 | C10 | H103 | 109.5° | 109.5° |
H102 | C10 | H103 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C3 | C4 | H3 | 180.0° | 179.6° |
C3 | C2 | C1 | C10 | 179.5° | 179.9° |
C3 | C2 | C1 | C6 | 55.2° | 44.3° |
C3 | C2 | C1 | C7 | 39.2° | 48.1° |
C3 | C2 | C1 | H1 | 176.1° | 178.8° |
C2 | C3 | C4 | C5 | 1.6° | 3.2° |
C2 | C3 | C4 | H41 | 121.9° | 116.8° |
C2 | C3 | C4 | H42 | 118.7° | 123.3° |
C3 | C2 | C10 | H101 | 180.0° | 0.1° |
C3 | C2 | C10 | H102 | 60.0° | 120.1° |
C3 | C2 | C10 | H103 | 60.0° | 119.9° |
C4 | C3 | C2 | C1 | 2.0° | 0.4° |
C4 | C3 | C2 | C10 | 178.6° | 179.7° |
C3 | C4 | C5 | C6 | 47.9° | 50.6° |
C3 | C4 | C5 | H41 | 120.3° | 120.1° |
C3 | C4 | C5 | H42 | 120.3° | 120.0° |
C3 | C4 | C5 | C7 | 49.7° | 43.6° |
C3 | C4 | C5 | H5 | 169.4° | 178.0° |
C3 | C4 | H41 | H42 | 119.1° | 119.9° |
H3 | C3 | C2 | C1 | 178.1° | 179.9° |
H3 | C3 | C2 | C10 | 1.3° | 0.0° |
H3 | C3 | C4 | C5 | 178.4° | 177.1° |
H3 | C3 | C4 | H41 | 58.1° | 62.8° |
H3 | C3 | C4 | H42 | 61.3° | 57.1° |
C2 | C1 | C6 | C7 | 123.0° | 108.3° |
C2 | C1 | C6 | H1 | 121.1° | 133.9° |
C2 | C1 | C7 | H1 | 144.6° | 132.0° |
C2 | C1 | C6 | C5 | 91.2° | 77.0° |
C2 | C1 | C6 | H61 | 154.7° | 168.9° |
C2 | C1 | C6 | H62 | 22.8° | 37.2° |
C2 | C1 | C7 | C5 | 66.5° | 79.5° |
C2 | C1 | C7 | C8 | 178.8° | 166.4° |
C2 | C1 | C7 | C9 | 47.6° | 34.6° |
C1 | C2 | C10 | H101 | 0.6° | 180.0° |
C1 | C2 | C10 | H102 | 119.4° | 60.1° |
C1 | C2 | C10 | H103 | 120.6° | 59.9° |
C10 | C2 | C1 | C6 | 125.3° | 135.8° |
C10 | C2 | C1 | C7 | 140.3° | 131.8° |
C10 | C2 | C1 | H1 | 4.5° | 1.3° |
C2 | C10 | H101 | H102 | 120.0° | 119.9° |
C2 | C10 | H101 | H103 | 120.0° | 120.0° |
C2 | C10 | H102 | H103 | 120.0° | 120.0° |
C6 | C1 | C7 | H1 | 115.0° | 117.1° |
C1 | C6 | C5 | H61 | 114.1° | 114.1° |
C1 | C6 | C5 | H62 | 114.1° | 114.1° |
C1 | C6 | H61 | H62 | 135.0° | 132.1° |
C1 | C6 | C5 | C4 | 89.5° | 81.3° |
C6 | C1 | C7 | C5 | 33.9° | 31.4° |
C1 | C6 | C5 | H5 | 148.6° | 147.8° |
C6 | C1 | C7 | C8 | 80.7° | 82.7° |
C6 | C1 | C7 | C9 | 148.0° | 145.5° |
C7 | C1 | C6 | H61 | 82.3° | 82.8° |
C7 | C1 | C6 | H62 | 145.9° | 145.5° |
C1 | C7 | C5 | C4 | 71.7° | 79.4° |
C1 | C7 | C5 | C8 | 109.2° | 114.1° |
C1 | C7 | C5 | C9 | 123.5° | 114.1° |
C1 | C7 | C5 | H5 | 147.9° | 147.0° |
C1 | C7 | C8 | C9 | 138.2° | 132.2° |
C1 | C7 | C8 | H81 | 180.0° | 40.5° |
C1 | C7 | C8 | H82 | 60.0° | 160.5° |
C1 | C7 | C8 | H83 | 60.0° | 79.5° |
C1 | C7 | C9 | H91 | 180.0° | 79.5° |
C1 | C7 | C9 | H92 | 60.0° | 160.5° |
C1 | C7 | C9 | H93 | 60.0° | 40.5° |
H1 | C1 | C6 | C5 | 147.6° | 149.2° |
H1 | C1 | C6 | H61 | 33.6° | 35.0° |
H1 | C1 | C6 | H62 | 98.3° | 96.7° |
H1 | C1 | C7 | C5 | 148.9° | 148.5° |
H1 | C1 | C7 | C8 | 34.3° | 34.4° |
H1 | C1 | C7 | C9 | 97.0° | 97.4° |
C5 | C6 | H61 | H62 | 135.0° | 132.1° |
C6 | C5 | C4 | C7 | 97.6° | 94.2° |
C6 | C5 | C4 | H5 | 121.5° | 131.4° |
C6 | C5 | C7 | H5 | 114.3° | 115.7° |
C6 | C5 | C4 | H41 | 72.4° | 69.5° |
C6 | C5 | C4 | H42 | 168.2° | 170.6° |
C6 | C5 | C7 | C8 | 75.6° | 82.8° |
C6 | C5 | C7 | C9 | 157.1° | 145.4° |
H61 | C6 | C5 | C4 | 156.4° | 164.6° |
H61 | C6 | C5 | C7 | 81.4° | 82.6° |
H61 | C6 | C5 | H5 | 34.5° | 33.7° |
H62 | C6 | C5 | C4 | 24.6° | 32.9° |
H62 | C6 | C5 | C7 | 146.8° | 145.7° |
H62 | C6 | C5 | H5 | 97.3° | 98.0° |
C4 | C5 | C7 | H5 | 140.5° | 133.6° |
C5 | C4 | H41 | H42 | 119.1° | 119.8° |
C4 | C5 | C7 | C8 | 179.2° | 166.5° |
C4 | C5 | C7 | C9 | 51.9° | 34.6° |
C7 | C5 | C4 | H41 | 170.0° | 163.7° |
C7 | C5 | C4 | H42 | 70.6° | 76.4° |
C5 | C7 | C8 | C9 | 129.5° | 132.2° |
C5 | C7 | C8 | H81 | 87.6° | 55.1° |
C5 | C7 | C8 | H82 | 152.3° | 64.8° |
C5 | C7 | C8 | H83 | 32.4° | 175.2° |
C5 | C7 | C9 | H91 | 81.9° | 175.1° |
C5 | C7 | C9 | H92 | 38.2° | 64.9° |
C5 | C7 | C9 | H93 | 158.1° | 55.2° |
H5 | C5 | C4 | H41 | 49.1° | 61.9° |
H5 | C5 | C4 | H42 | 70.3° | 58.0° |
H5 | C5 | C7 | C8 | 38.7° | 32.9° |
H5 | C5 | C7 | C9 | 88.6° | 98.9° |
C7 | C8 | H81 | H82 | 120.0° | 119.9° |
C7 | C8 | H81 | H83 | 120.0° | 120.0° |
C7 | C8 | H82 | H83 | 120.0° | 120.0° |
C8 | C7 | C9 | H91 | 48.5° | 52.7° |
C8 | C7 | C9 | H92 | 168.5° | 67.3° |
C8 | C7 | C9 | H93 | 71.5° | 172.6° |
C9 | C7 | C8 | H81 | 41.8° | 172.7° |
C9 | C7 | C8 | H82 | 78.2° | 67.3° |
C9 | C7 | C8 | H83 | 161.8° | 52.6° |
C7 | C9 | H91 | H92 | 120.0° | 120.0° |
C7 | C9 | H91 | H93 | 120.0° | 120.0° |
C7 | C9 | H92 | H93 | 120.0° | 120.0° |
H81 | C8 | H82 | H83 | 120.0° | 120.1° |
H91 | C9 | H92 | H93 | 119.9° | 120.0° |
H101 | C10 | H102 | H103 | 120.0° | 120.0° |