EUD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C12 | sing | 1.53Å | 1.55Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | C8 | sing | 1.53Å | 1.57Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.49Å | |
| C3 | C5 | sing | 1.53Å | 1.49Å | |
| C3 | H33 | sing | 1.09Å | 1.11Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C4 | H43 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.56Å | |
| C8 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C9 | H93 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | C15 | doub | 1.31Å | 1.35Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C14 | H143 | sing | 1.09Å | 1.12Å | |
| C15 | H151 | sing | 1.08Å | 1.10Å | |
| C15 | H152 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C12 | 110.6° | 109.4° |
| C2 | C1 | H11 | 111.7° | 109.5° |
| C2 | C1 | H12 | 111.8° | 109.5° |
| C1 | C2 | C3 | 115.6° | 109.4° |
| C1 | C2 | C8 | 110.1° | 109.5° |
| C1 | C2 | H2 | 105.7° | 109.5° |
| C12 | C1 | H11 | 111.8° | 109.5° |
| C12 | C1 | H12 | 111.8° | 109.4° |
| C1 | C12 | C11 | 107.6° | 109.5° |
| C1 | C12 | C13 | 110.7° | 109.5° |
| C1 | C12 | H121 | 112.0° | 109.5° |
| H11 | C1 | H12 | 98.6° | 109.5° |
| C3 | C2 | C8 | 112.4° | 109.5° |
| C3 | C2 | H2 | 103.0° | 109.5° |
| C2 | C3 | C4 | 120.5° | 109.5° |
| C2 | C3 | C5 | 121.0° | 109.5° |
| C2 | C3 | H33 | 15.5° | 109.5° |
| C8 | C2 | H2 | 109.4° | 109.5° |
| C2 | C8 | C7 | 108.9° | 109.5° |
| C2 | C8 | C9 | 110.3° | 109.5° |
| C2 | C8 | C10 | 111.8° | 109.5° |
| C4 | C3 | C5 | 118.5° | 109.5° |
| C4 | C3 | H33 | 132.5° | 109.4° |
| C3 | C4 | H41 | 120.4° | 109.4° |
| C3 | C4 | H42 | 108.3° | 109.5° |
| C3 | C4 | H43 | 108.3° | 109.5° |
| C5 | C3 | H33 | 108.1° | 109.5° |
| C3 | C5 | C6 | 119.1° | 109.5° |
| C3 | C5 | H51 | 108.8° | 109.5° |
| C3 | C5 | H52 | 108.8° | 109.5° |
| H41 | C4 | H42 | 108.3° | 109.5° |
| H41 | C4 | H43 | 108.3° | 109.4° |
| H42 | C4 | H43 | 101.7° | 109.5° |
| C6 | C5 | H51 | 108.7° | 109.4° |
| C6 | C5 | H52 | 108.7° | 109.5° |
| C5 | C6 | C7 | 117.2° | 109.5° |
| C5 | C6 | H61 | 109.4° | 109.5° |
| C5 | C6 | H62 | 109.4° | 109.4° |
| H51 | C5 | H52 | 101.3° | 109.4° |
| C7 | C6 | H61 | 109.4° | 109.5° |
| C7 | C6 | H62 | 109.4° | 109.5° |
| C6 | C7 | C8 | 113.7° | 109.5° |
| C6 | C7 | H71 | 110.7° | 109.4° |
| C6 | C7 | H72 | 110.7° | 109.5° |
| H61 | C6 | H62 | 100.7° | 109.4° |
| C8 | C7 | H71 | 110.7° | 109.5° |
| C8 | C7 | H72 | 110.7° | 109.5° |
| C7 | C8 | C9 | 110.2° | 109.5° |
| C7 | C8 | C10 | 111.5° | 109.5° |
| H71 | C7 | H72 | 99.6° | 109.5° |
| C9 | C8 | C10 | 104.0° | 109.5° |
| C8 | C9 | H91 | 110.3° | 109.4° |
| C8 | C9 | H92 | 111.9° | 109.5° |
| C8 | C9 | H93 | 111.9° | 109.5° |
| C8 | C10 | C11 | 118.0° | 109.5° |
| C8 | C10 | H101 | 109.2° | 109.5° |
| C8 | C10 | H102 | 109.1° | 109.5° |
| H91 | C9 | H92 | 111.8° | 109.5° |
| H91 | C9 | H93 | 111.9° | 109.5° |
| H92 | C9 | H93 | 98.5° | 109.5° |
| C11 | C10 | H101 | 109.2° | 109.5° |
| C11 | C10 | H102 | 109.2° | 109.5° |
| C10 | C11 | C12 | 117.9° | 109.5° |
| C10 | C11 | H111 | 109.2° | 109.5° |
| C10 | C11 | H112 | 109.2° | 109.5° |
| H101 | C10 | H102 | 100.9° | 109.5° |
| C12 | C11 | H111 | 109.2° | 109.5° |
| C12 | C11 | H112 | 109.2° | 109.5° |
| C11 | C12 | C13 | 114.8° | 109.5° |
| C11 | C12 | H121 | 107.6° | 109.4° |
| H111 | C11 | H112 | 100.9° | 109.4° |
| C13 | C12 | H121 | 104.3° | 109.5° |
| C12 | C13 | C14 | 115.8° | 120.0° |
| C12 | C13 | C15 | 125.0° | 120.0° |
| C14 | C13 | C15 | 119.2° | 120.0° |
| C13 | C14 | H141 | 115.7° | 109.4° |
| C13 | C14 | H142 | 109.9° | 109.5° |
| C13 | C14 | H143 | 109.9° | 109.5° |
| C13 | C15 | H151 | 119.2° | 120.0° |
| C13 | C15 | H152 | 125.0° | 120.0° |
| H141 | C14 | H142 | 110.0° | 109.5° |
| H141 | C14 | H143 | 109.9° | 109.5° |
| H142 | C14 | H143 | 100.3° | 109.5° |
| H151 | C15 | H152 | 115.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C12 | H11 | 125.2° | 120.0° |
| C2 | C1 | C12 | H12 | 125.3° | 120.0° |
| C2 | C1 | H11 | H12 | 117.7° | 120.1° |
| C1 | C2 | C3 | C8 | 127.7° | 120.0° |
| C1 | C2 | C3 | H2 | 114.7° | 120.0° |
| C1 | C2 | C8 | H2 | 115.7° | 120.0° |
| C1 | C2 | C3 | C4 | 23.6° | 60.0° |
| C1 | C2 | C3 | C5 | 156.6° | 180.0° |
| C1 | C2 | C3 | H33 | 120.6° | 60.0° |
| C1 | C2 | C8 | C7 | 173.2° | 180.0° |
| C1 | C2 | C8 | C9 | 65.7° | 60.0° |
| C1 | C2 | C8 | C10 | 49.5° | 60.0° |
| C2 | C1 | C12 | C11 | 62.1° | 60.0° |
| C2 | C1 | C12 | C13 | 64.0° | 60.0° |
| C2 | C1 | C12 | H121 | 179.9° | 180.0° |
| C12 | C1 | H11 | H12 | 117.7° | 120.0° |
| C12 | C1 | C2 | C3 | 164.3° | 180.0° |
| C12 | C1 | C2 | C8 | 66.9° | 60.0° |
| C12 | C1 | C2 | H2 | 51.1° | 60.0° |
| C1 | C12 | C11 | C10 | 44.5° | 60.0° |
| C1 | C12 | C11 | C13 | 123.6° | 120.0° |
| C1 | C12 | C11 | H121 | 120.8° | 120.0° |
| C1 | C12 | C11 | H111 | 169.7° | 180.0° |
| C1 | C12 | C11 | H112 | 80.8° | 60.0° |
| C1 | C12 | C13 | H121 | 120.6° | 120.0° |
| C1 | C12 | C13 | C14 | 58.1° | 122.7° |
| C1 | C12 | C13 | C15 | 122.2° | 57.4° |
| H11 | C1 | C2 | C3 | 70.5° | 60.0° |
| H11 | C1 | C2 | C8 | 58.3° | 180.0° |
| H11 | C1 | C2 | H2 | 176.3° | 60.0° |
| H11 | C1 | C12 | C11 | 63.1° | 180.0° |
| H11 | C1 | C12 | C13 | 170.8° | 60.0° |
| H11 | C1 | C12 | H121 | 54.9° | 60.0° |
| H12 | C1 | C2 | C3 | 39.0° | 60.1° |
| H12 | C1 | C2 | C8 | 167.8° | 59.9° |
| H12 | C1 | C2 | H2 | 74.2° | 180.0° |
| H12 | C1 | C12 | C11 | 172.6° | 60.0° |
| H12 | C1 | C12 | C13 | 61.3° | 180.0° |
| H12 | C1 | C12 | H121 | 54.6° | 60.0° |
| C3 | C2 | C8 | H2 | 113.8° | 120.0° |
| C2 | C3 | C4 | C5 | 179.8° | 120.0° |
| C2 | C3 | C4 | H33 | 12.2° | 120.0° |
| C2 | C3 | C5 | H33 | 9.5° | 120.0° |
| C2 | C3 | C4 | H41 | 180.0° | 60.0° |
| C2 | C3 | C4 | H42 | 54.7° | 60.0° |
| C2 | C3 | C4 | H43 | 54.8° | 180.0° |
| C2 | C3 | C5 | C6 | 0.3° | 59.9° |
| C2 | C3 | C5 | H51 | 124.9° | 60.0° |
| C2 | C3 | C5 | H52 | 125.6° | 180.0° |
| C3 | C2 | C8 | C7 | 56.3° | 60.0° |
| C3 | C2 | C8 | C9 | 64.9° | 60.0° |
| C3 | C2 | C8 | C10 | 179.9° | NaN° |
| C8 | C2 | C3 | C4 | 151.3° | 180.0° |
| C8 | C2 | C3 | C5 | 29.0° | 60.0° |
| C8 | C2 | C3 | H33 | 7.1° | 60.0° |
| C2 | C8 | C7 | C6 | 56.8° | 60.0° |
| C2 | C8 | C7 | C9 | 121.2° | 120.0° |
| C2 | C8 | C7 | C10 | 123.9° | 120.0° |
| C2 | C8 | C7 | H71 | 68.5° | 60.0° |
| C2 | C8 | C7 | H72 | 178.0° | 180.0° |
| C2 | C8 | C9 | C10 | 120.1° | 120.0° |
| C2 | C8 | C9 | H91 | 180.0° | 60.0° |
| C2 | C8 | C9 | H92 | 54.8° | 60.0° |
| C2 | C8 | C9 | H93 | 54.7° | 180.0° |
| C2 | C8 | C10 | C11 | 32.9° | 60.0° |
| C2 | C8 | C10 | H101 | 92.4° | 60.0° |
| C2 | C8 | C10 | H102 | 158.2° | 180.0° |
| H2 | C2 | C3 | C4 | 91.1° | 60.0° |
| H2 | C2 | C3 | C5 | 88.6° | 60.0° |
| H2 | C2 | C3 | H33 | 124.7° | 180.0° |
| H2 | C2 | C8 | C7 | 57.5° | 60.0° |
| H2 | C2 | C8 | C9 | 178.6° | 180.0° |
| H2 | C2 | C8 | C10 | 66.2° | 60.0° |
| C4 | C3 | C5 | H33 | 170.7° | 120.0° |
| C3 | C4 | H41 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H43 | 125.2° | 120.0° |
| C3 | C4 | H42 | H43 | 113.9° | 120.1° |
| C4 | C3 | C5 | C6 | 179.9° | 180.0° |
| C4 | C3 | C5 | H51 | 54.8° | 60.0° |
| C4 | C3 | C5 | H52 | 54.7° | 59.9° |
| C5 | C3 | C4 | H41 | 0.3° | 60.0° |
| C5 | C3 | C4 | H42 | 125.0° | 180.0° |
| C5 | C3 | C4 | H43 | 125.5° | 59.9° |
| C3 | C5 | C6 | H51 | 125.3° | 120.0° |
| C3 | C5 | C6 | H52 | 125.3° | 120.1° |
| C3 | C5 | H51 | H52 | 114.5° | 120.0° |
| C3 | C5 | C6 | C7 | 0.1° | 59.9° |
| C3 | C5 | C6 | H61 | 125.4° | 180.0° |
| C3 | C5 | C6 | H62 | 125.1° | 60.1° |
| H33 | C3 | C4 | H41 | 167.7° | 180.0° |
| H33 | C3 | C4 | H42 | 67.0° | 60.0° |
| H33 | C3 | C4 | H43 | 42.5° | 60.0° |
| H33 | C3 | C5 | C6 | 9.2° | 60.0° |
| H33 | C3 | C5 | H51 | 134.4° | 180.0° |
| H33 | C3 | C5 | H52 | 116.0° | 60.0° |
| H41 | C4 | H42 | H43 | 113.9° | 120.0° |
| C6 | C5 | H51 | H52 | 114.4° | 120.0° |
| C5 | C6 | C7 | H61 | 125.3° | 120.0° |
| C5 | C6 | C7 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 115.2° | 119.9° |
| C5 | C6 | C7 | C8 | 29.3° | 59.9° |
| C5 | C6 | C7 | H71 | 95.9° | 60.1° |
| C5 | C6 | C7 | H72 | 154.6° | 180.0° |
| H51 | C5 | C6 | C7 | 125.2° | 60.1° |
| H51 | C5 | C6 | H61 | 0.1° | 60.0° |
| H51 | C5 | C6 | H62 | 109.6° | 179.9° |
| H52 | C5 | C6 | C7 | 125.4° | 180.0° |
| H52 | C5 | C6 | H61 | 109.3° | 60.0° |
| H52 | C5 | C6 | H62 | 0.1° | 60.0° |
| C7 | C6 | H61 | H62 | 115.1° | 120.0° |
| C6 | C7 | C8 | H71 | 125.3° | 120.0° |
| C6 | C7 | C8 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H72 | 116.5° | 119.9° |
| C6 | C7 | C8 | C9 | 64.4° | 60.0° |
| C6 | C7 | C8 | C10 | 179.4° | 180.0° |
| H61 | C6 | C7 | C8 | 154.6° | 180.0° |
| H61 | C6 | C7 | H71 | 29.4° | 60.0° |
| H61 | C6 | C7 | H72 | 80.1° | 60.0° |
| H62 | C6 | C7 | C8 | 96.0° | 60.0° |
| H62 | C6 | C7 | H71 | 138.8° | 180.0° |
| H62 | C6 | C7 | H72 | 29.3° | 60.0° |
| C8 | C7 | H71 | H72 | 116.5° | 120.1° |
| C7 | C8 | C9 | C10 | 119.6° | 120.0° |
| C7 | C8 | C9 | H91 | 59.7° | 60.0° |
| C7 | C8 | C9 | H92 | 65.5° | 180.0° |
| C7 | C8 | C9 | H93 | 175.0° | 60.0° |
| C7 | C8 | C10 | C11 | 155.1° | 180.0° |
| C7 | C8 | C10 | H101 | 29.8° | 60.0° |
| C7 | C8 | C10 | H102 | 79.6° | 60.0° |
| H71 | C7 | C8 | C9 | 170.3° | 180.0° |
| H71 | C7 | C8 | C10 | 55.4° | 60.0° |
| H72 | C7 | C8 | C9 | 60.9° | 60.0° |
| H72 | C7 | C8 | C10 | 54.1° | 60.0° |
| C8 | C9 | H91 | H92 | 125.3° | 120.0° |
| C8 | C9 | H91 | H93 | 125.3° | 120.0° |
| C8 | C9 | H92 | H93 | 117.9° | 120.0° |
| C9 | C8 | C10 | C11 | 86.2° | 60.0° |
| C9 | C8 | C10 | H101 | 148.5° | 180.0° |
| C9 | C8 | C10 | H102 | 39.1° | 60.0° |
| C10 | C8 | C9 | H91 | 59.9° | 180.0° |
| C10 | C8 | C9 | H92 | 174.9° | 60.0° |
| C10 | C8 | C9 | H93 | 65.3° | 60.0° |
| C8 | C10 | C11 | H101 | 125.3° | 120.0° |
| C8 | C10 | C11 | H102 | 125.3° | 120.0° |
| C8 | C10 | H101 | H102 | 114.8° | 120.0° |
| C8 | C10 | C11 | C12 | 32.0° | 60.0° |
| C8 | C10 | C11 | H111 | 157.3° | 180.0° |
| C8 | C10 | C11 | H112 | 93.3° | 60.0° |
| H91 | C9 | H92 | H93 | 117.8° | 120.1° |
| C11 | C10 | H101 | H102 | 114.9° | 120.0° |
| C10 | C11 | C12 | H111 | 125.3° | 120.0° |
| C10 | C11 | C12 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H112 | 114.9° | 120.0° |
| C10 | C11 | C12 | C13 | 79.2° | 60.0° |
| C10 | C11 | C12 | H121 | 165.2° | 180.0° |
| H101 | C10 | C11 | C12 | 93.4° | 60.0° |
| H101 | C10 | C11 | H111 | 32.0° | 60.0° |
| H101 | C10 | C11 | H112 | 141.4° | 180.0° |
| H102 | C10 | C11 | C12 | 157.2° | 180.0° |
| H102 | C10 | C11 | H111 | 77.5° | 60.0° |
| H102 | C10 | C11 | H112 | 31.9° | 60.0° |
| C12 | C11 | H111 | H112 | 114.9° | 120.0° |
| C11 | C12 | C13 | H121 | 117.4° | 119.9° |
| C11 | C12 | C13 | C14 | 180.0° | 117.3° |
| C11 | C12 | C13 | C15 | 0.3° | 62.7° |
| H111 | C11 | C12 | C13 | 46.1° | 60.0° |
| H111 | C11 | C12 | H121 | 69.5° | 60.0° |
| H112 | C11 | C12 | C13 | 155.6° | 180.0° |
| H112 | C11 | C12 | H121 | 40.0° | 60.0° |
| C12 | C13 | C14 | C15 | 179.7° | 180.0° |
| C12 | C13 | C14 | H141 | 180.0° | 175.0° |
| C12 | C13 | C14 | H142 | 54.7° | 55.0° |
| C12 | C13 | C14 | H143 | 54.8° | 65.0° |
| C12 | C13 | C15 | H151 | 0.3° | 6.1° |
| C12 | C13 | C15 | H152 | 180.0° | 173.8° |
| H121 | C12 | C13 | C14 | 62.5° | 2.7° |
| H121 | C12 | C13 | C15 | 117.2° | 177.4° |
| C13 | C14 | H141 | H142 | 125.2° | 120.0° |
| C13 | C14 | H141 | H143 | 125.2° | 120.0° |
| C13 | C14 | H142 | H143 | 115.7° | 120.0° |
| C14 | C13 | C15 | H151 | 180.0° | 173.9° |
| C14 | C13 | C15 | H152 | 0.3° | 6.2° |
| C15 | C13 | C14 | H141 | 0.3° | 5.0° |
| C15 | C13 | C14 | H142 | 125.0° | 125.0° |
| C15 | C13 | C14 | H143 | 125.5° | 115.0° |
| C13 | C15 | H151 | H152 | 179.7° | 179.9° |
| H141 | C14 | H142 | H143 | 115.8° | 120.0° |
