C8E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | O9 | sing | 1.43Å | 1.44Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| O9 | C10 | sing | 1.43Å | 1.45Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | O12 | sing | 1.43Å | 1.43Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| O12 | C13 | sing | 1.43Å | 1.43Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | O15 | sing | 1.43Å | 1.43Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| O15 | C16 | sing | 1.43Å | 1.44Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C17 | O18 | sing | 1.43Å | 1.43Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| O18 | C19 | sing | 1.43Å | 1.43Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C20 | O21 | sing | 1.43Å | 1.42Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| O21 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 106.6° | 109.5° |
| C2 | C1 | H12 | 113.3° | 109.5° |
| C2 | C1 | H13 | 113.3° | 109.5° |
| C1 | C2 | C3 | 106.6° | 109.5° |
| C1 | C2 | H21 | 113.3° | 109.5° |
| C1 | C2 | H22 | 113.3° | 109.5° |
| H11 | C1 | H12 | 113.3° | 109.5° |
| H11 | C1 | H13 | 113.3° | 109.5° |
| H12 | C1 | H13 | 97.2° | 109.5° |
| C3 | C2 | H21 | 113.3° | 109.5° |
| C3 | C2 | H22 | 113.3° | 109.4° |
| C2 | C3 | C4 | 116.1° | 109.5° |
| C2 | C3 | H31 | 109.8° | 109.5° |
| C2 | C3 | H32 | 109.8° | 109.4° |
| H21 | C2 | H22 | 97.1° | 109.5° |
| C4 | C3 | H31 | 109.8° | 109.5° |
| C4 | C3 | H32 | 109.8° | 109.4° |
| C3 | C4 | C5 | 118.5° | 109.5° |
| C3 | C4 | H41 | 109.0° | 109.5° |
| C3 | C4 | H42 | 108.9° | 109.5° |
| H31 | C3 | H32 | 100.4° | 109.5° |
| C5 | C4 | H41 | 109.0° | 109.5° |
| C5 | C4 | H42 | 108.9° | 109.5° |
| C4 | C5 | C6 | 116.5° | 109.5° |
| C4 | C5 | H51 | 109.7° | 109.5° |
| C4 | C5 | H52 | 109.6° | 109.5° |
| H41 | C4 | H42 | 101.1° | 109.5° |
| C6 | C5 | H51 | 109.6° | 109.5° |
| C6 | C5 | H52 | 109.6° | 109.4° |
| C5 | C6 | C7 | 116.9° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.5° |
| C5 | C6 | H62 | 109.6° | 109.4° |
| H51 | C5 | H52 | 100.6° | 109.4° |
| C7 | C6 | H61 | 109.5° | 109.5° |
| C7 | C6 | H62 | 109.5° | 109.4° |
| C6 | C7 | C8 | 108.9° | 109.5° |
| C6 | C7 | H71 | 112.4° | 109.5° |
| C6 | C7 | H72 | 112.5° | 109.4° |
| H61 | C6 | H62 | 100.6° | 109.5° |
| C8 | C7 | H71 | 112.4° | 109.5° |
| C8 | C7 | H72 | 112.4° | 109.4° |
| C7 | C8 | O9 | 126.0° | 109.5° |
| C7 | C8 | H81 | 106.4° | 109.5° |
| C7 | C8 | H82 | 106.4° | 109.5° |
| H71 | C7 | H72 | 98.0° | 109.5° |
| O9 | C8 | H81 | 106.4° | 109.5° |
| O9 | C8 | H82 | 106.3° | 109.5° |
| C8 | O9 | C10 | 114.5° | 106.8° |
| H81 | C8 | H82 | 103.2° | 109.4° |
| O9 | C10 | C11 | 121.5° | 109.4° |
| O9 | C10 | H101 | 107.9° | 109.5° |
| O9 | C10 | H102 | 107.9° | 109.5° |
| C11 | C10 | H101 | 107.9° | 109.5° |
| C11 | C10 | H102 | 107.9° | 109.5° |
| C10 | C11 | O12 | 118.0° | 109.5° |
| C10 | C11 | H111 | 109.2° | 109.5° |
| C10 | C11 | H112 | 109.2° | 109.5° |
| H101 | C10 | H102 | 102.0° | 109.4° |
| O12 | C11 | H111 | 109.1° | 109.4° |
| O12 | C11 | H112 | 109.1° | 109.5° |
| C11 | O12 | C13 | 109.8° | 106.8° |
| H111 | C11 | H112 | 101.0° | 109.4° |
| O12 | C13 | C14 | 121.5° | 109.5° |
| O12 | C13 | H131 | 107.9° | 109.5° |
| O12 | C13 | H132 | 107.9° | 109.5° |
| C14 | C13 | H131 | 107.9° | 109.5° |
| C14 | C13 | H132 | 107.9° | 109.5° |
| C13 | C14 | O15 | 119.2° | 109.5° |
| C13 | C14 | H141 | 108.7° | 109.5° |
| C13 | C14 | H142 | 108.7° | 109.5° |
| H131 | C13 | H132 | 102.0° | 109.5° |
| O15 | C14 | H141 | 108.7° | 109.5° |
| O15 | C14 | H142 | 108.7° | 109.5° |
| C14 | O15 | C16 | 108.5° | 106.8° |
| H141 | C14 | H142 | 101.4° | 109.5° |
| O15 | C16 | C17 | 122.8° | 109.4° |
| O15 | C16 | H161 | 107.5° | 109.5° |
| O15 | C16 | H162 | 107.5° | 109.5° |
| C17 | C16 | H161 | 107.4° | 109.4° |
| C17 | C16 | H162 | 107.4° | 109.4° |
| C16 | C17 | O18 | 116.7° | 109.4° |
| C16 | C17 | H171 | 109.6° | 109.4° |
| C16 | C17 | H172 | 109.6° | 109.5° |
| H161 | C16 | H162 | 102.3° | 109.6° |
| O18 | C17 | H171 | 109.5° | 109.5° |
| O18 | C17 | H172 | 109.6° | 109.5° |
| C17 | O18 | C19 | 112.1° | 106.8° |
| H171 | C17 | H172 | 100.6° | 109.5° |
| O18 | C19 | C20 | 114.5° | 109.5° |
| O18 | C19 | H191 | 110.4° | 109.6° |
| O18 | C19 | H192 | 110.3° | 109.4° |
| C20 | C19 | H191 | 110.3° | 109.4° |
| C20 | C19 | H192 | 110.3° | 109.5° |
| C19 | C20 | O21 | 108.9° | 109.5° |
| C19 | C20 | H201 | 112.4° | 109.5° |
| C19 | C20 | H202 | 112.4° | 109.5° |
| H191 | C19 | H192 | 99.9° | 109.4° |
| O21 | C20 | H201 | 112.4° | 109.4° |
| O21 | C20 | H202 | 112.4° | 109.4° |
| C20 | O21 | HO2 | 108.9° | 106.8° |
| H201 | C20 | H202 | 98.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 125.3° | 120.0° |
| C2 | C1 | H11 | H13 | 125.2° | 120.0° |
| C2 | C1 | H12 | H13 | 119.2° | 120.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 119.2° | 120.0° |
| C1 | C2 | C3 | C4 | 173.2° | 180.0° |
| C1 | C2 | C3 | H31 | 47.9° | 60.0° |
| C1 | C2 | C3 | H32 | 61.6° | 60.0° |
| H11 | C1 | H12 | H13 | 119.2° | 120.0° |
| H11 | C1 | C2 | C3 | 180.0° | 60.0° |
| H11 | C1 | C2 | H21 | 54.7° | 180.0° |
| H11 | C1 | C2 | H22 | 54.7° | 60.0° |
| H12 | C1 | C2 | C3 | 54.8° | 180.0° |
| H12 | C1 | C2 | H21 | 70.5° | 60.0° |
| H12 | C1 | C2 | H22 | 179.9° | 60.0° |
| H13 | C1 | C2 | C3 | 54.8° | 60.0° |
| H13 | C1 | C2 | H21 | 179.9° | 60.0° |
| H13 | C1 | C2 | H22 | 70.5° | 179.9° |
| C3 | C2 | H21 | H22 | 119.2° | 119.9° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.2° | 120.0° |
| C2 | C3 | H31 | H32 | 115.6° | 120.0° |
| C2 | C3 | C4 | C5 | 73.7° | 180.0° |
| C2 | C3 | C4 | H41 | 161.0° | 60.0° |
| C2 | C3 | C4 | H42 | 51.5° | 60.0° |
| H21 | C2 | C3 | C4 | 61.5° | 60.0° |
| H21 | C2 | C3 | H31 | 173.2° | 180.0° |
| H21 | C2 | C3 | H32 | 63.7° | 60.0° |
| H22 | C2 | C3 | C4 | 47.9° | 60.0° |
| H22 | C2 | C3 | H31 | 77.4° | 60.0° |
| H22 | C2 | C3 | H32 | 173.1° | 180.0° |
| C4 | C3 | H31 | H32 | 115.6° | 120.0° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 114.7° | 120.0° |
| C3 | C4 | C5 | C6 | 69.2° | 179.9° |
| C3 | C4 | C5 | H51 | 56.0° | 60.0° |
| C3 | C4 | C5 | H52 | 165.6° | 60.0° |
| H31 | C3 | C4 | C5 | 51.5° | 60.0° |
| H31 | C3 | C4 | H41 | 73.8° | 180.0° |
| H31 | C3 | C4 | H42 | 176.8° | 60.0° |
| H32 | C3 | C4 | C5 | 161.1° | 60.0° |
| H32 | C3 | C4 | H41 | 35.8° | 60.0° |
| H32 | C3 | C4 | H42 | 73.7° | 180.0° |
| C5 | C4 | H41 | H42 | 114.6° | 120.0° |
| C4 | C5 | C6 | H51 | 125.3° | 120.0° |
| C4 | C5 | C6 | H52 | 125.2° | 120.0° |
| C4 | C5 | H51 | H52 | 115.5° | 120.0° |
| C4 | C5 | C6 | C7 | 150.2° | 180.0° |
| C4 | C5 | C6 | H61 | 24.9° | 60.0° |
| C4 | C5 | C6 | H62 | 84.5° | 60.0° |
| H41 | C4 | C5 | C6 | 165.5° | 59.9° |
| H41 | C4 | C5 | H51 | 69.3° | 180.0° |
| H41 | C4 | C5 | H52 | 40.3° | 60.0° |
| H42 | C4 | C5 | C6 | 56.0° | 60.0° |
| H42 | C4 | C5 | H51 | 178.7° | 60.1° |
| H42 | C4 | C5 | H52 | 69.2° | 180.0° |
| C6 | C5 | H51 | H52 | 115.4° | 120.0° |
| C5 | C6 | C7 | H61 | 125.3° | 120.1° |
| C5 | C6 | C7 | H62 | 125.3° | 119.9° |
| C5 | C6 | H61 | H62 | 115.3° | 120.0° |
| C5 | C6 | C7 | C8 | 72.3° | 179.9° |
| C5 | C6 | C7 | H71 | 162.5° | 59.9° |
| C5 | C6 | C7 | H72 | 53.0° | 60.1° |
| H51 | C5 | C6 | C7 | 84.5° | 59.9° |
| H51 | C5 | C6 | H61 | 150.2° | 180.0° |
| H51 | C5 | C6 | H62 | 40.8° | 60.0° |
| H52 | C5 | C6 | C7 | 25.0° | 60.0° |
| H52 | C5 | C6 | H61 | 100.3° | 60.0° |
| H52 | C5 | C6 | H62 | 150.3° | 180.0° |
| C7 | C6 | H61 | H62 | 115.2° | 120.0° |
| C6 | C7 | C8 | H71 | 125.3° | 120.0° |
| C6 | C7 | C8 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H72 | 118.4° | 120.0° |
| C6 | C7 | C8 | O9 | 164.6° | 180.0° |
| C6 | C7 | C8 | H81 | 70.1° | 60.0° |
| C6 | C7 | C8 | H82 | 39.4° | 60.0° |
| H61 | C6 | C7 | C8 | 53.0° | 60.0° |
| H61 | C6 | C7 | H71 | 72.2° | 180.0° |
| H61 | C6 | C7 | H72 | 178.3° | 60.0° |
| H62 | C6 | C7 | C8 | 162.4° | 60.0° |
| H62 | C6 | C7 | H71 | 37.2° | 60.0° |
| H62 | C6 | C7 | H72 | 72.3° | 180.0° |
| C8 | C7 | H71 | H72 | 118.3° | 120.0° |
| C7 | C8 | O9 | H81 | 125.3° | 120.0° |
| C7 | C8 | O9 | H82 | 125.2° | 120.0° |
| C7 | C8 | H81 | H82 | 111.8° | 120.0° |
| C7 | C8 | O9 | C10 | 98.8° | 180.0° |
| H71 | C7 | C8 | O9 | 39.4° | 60.0° |
| H71 | C7 | C8 | H81 | 164.6° | 180.0° |
| H71 | C7 | C8 | H82 | 85.8° | 60.0° |
| H72 | C7 | C8 | O9 | 70.1° | 60.0° |
| H72 | C7 | C8 | H81 | 55.2° | 60.0° |
| H72 | C7 | C8 | H82 | 164.7° | 180.0° |
| O9 | C8 | H81 | H82 | 111.7° | 120.0° |
| C8 | O9 | C10 | C11 | 99.2° | 180.0° |
| C8 | O9 | C10 | H101 | 135.6° | 60.0° |
| C8 | O9 | C10 | H102 | 26.1° | 60.0° |
| H81 | C8 | O9 | C10 | 26.5° | 60.0° |
| H82 | C8 | O9 | C10 | 136.0° | 60.0° |
| O9 | C10 | C11 | H101 | 125.2° | 120.0° |
| O9 | C10 | C11 | H102 | 125.3° | 120.0° |
| O9 | C10 | H101 | H102 | 113.5° | 120.0° |
| O9 | C10 | C11 | O12 | 48.5° | 60.0° |
| O9 | C10 | C11 | H111 | 173.7° | 180.0° |
| O9 | C10 | C11 | H112 | 76.7° | 60.0° |
| C11 | C10 | H101 | H102 | 113.6° | 120.0° |
| C10 | C11 | O12 | H111 | 125.3° | 120.0° |
| C10 | C11 | O12 | H112 | 125.3° | 120.1° |
| C10 | C11 | H111 | H112 | 114.9° | 120.1° |
| C10 | C11 | O12 | C13 | 93.8° | 180.0° |
| H101 | C10 | C11 | O12 | 76.7° | 60.0° |
| H101 | C10 | C11 | H111 | 48.5° | 60.0° |
| H101 | C10 | C11 | H112 | 158.0° | 180.0° |
| H102 | C10 | C11 | O12 | 173.8° | 179.9° |
| H102 | C10 | C11 | H111 | 61.0° | 60.0° |
| H102 | C10 | C11 | H112 | 48.5° | 60.0° |
| O12 | C11 | H111 | H112 | 114.9° | 119.9° |
| C11 | O12 | C13 | C14 | 103.5° | 179.9° |
| C11 | O12 | C13 | H131 | 131.3° | 60.0° |
| C11 | O12 | C13 | H132 | 21.8° | 60.0° |
| H111 | C11 | O12 | C13 | 140.9° | 60.0° |
| H112 | C11 | O12 | C13 | 31.5° | 60.0° |
| O12 | C13 | C14 | H131 | 125.2° | 120.1° |
| O12 | C13 | C14 | H132 | 125.3° | 120.0° |
| O12 | C13 | H131 | H132 | 113.5° | 120.0° |
| O12 | C13 | C14 | O15 | 56.7° | 60.0° |
| O12 | C13 | C14 | H141 | 178.1° | 180.0° |
| O12 | C13 | C14 | H142 | 68.6° | 60.0° |
| C14 | C13 | H131 | H132 | 113.5° | 120.0° |
| C13 | C14 | O15 | H141 | 125.2° | 120.0° |
| C13 | C14 | O15 | H142 | 125.3° | 120.0° |
| C13 | C14 | H141 | H142 | 114.5° | 120.0° |
| C13 | C14 | O15 | C16 | 115.1° | 180.0° |
| H131 | C13 | C14 | O15 | 68.5° | 60.0° |
| H131 | C13 | C14 | H141 | 56.7° | 60.0° |
| H131 | C13 | C14 | H142 | 166.2° | 180.0° |
| H132 | C13 | C14 | O15 | 178.0° | 180.0° |
| H132 | C13 | C14 | H141 | 52.8° | 60.0° |
| H132 | C13 | C14 | H142 | 56.7° | 60.0° |
| O15 | C14 | H141 | H142 | 114.4° | 120.0° |
| C14 | O15 | C16 | C17 | 147.7° | 180.0° |
| C14 | O15 | C16 | H161 | 87.1° | 60.1° |
| C14 | O15 | C16 | H162 | 22.5° | 60.1° |
| H141 | C14 | O15 | C16 | 119.7° | 60.0° |
| H142 | C14 | O15 | C16 | 10.2° | 60.0° |
| O15 | C16 | C17 | H161 | 125.3° | 120.0° |
| O15 | C16 | C17 | H162 | 125.3° | 119.9° |
| O15 | C16 | H161 | H162 | 113.0° | 120.1° |
| O15 | C16 | C17 | O18 | 65.1° | 60.0° |
| O15 | C16 | C17 | H171 | 169.7° | 180.0° |
| O15 | C16 | C17 | H172 | 60.1° | 60.0° |
| C17 | C16 | H161 | H162 | 113.0° | 120.0° |
| C16 | C17 | O18 | H171 | 125.3° | 120.0° |
| C16 | C17 | O18 | H172 | 125.3° | 120.0° |
| C16 | C17 | H171 | H172 | 115.4° | 120.0° |
| C16 | C17 | O18 | C19 | 89.4° | 179.9° |
| H161 | C16 | C17 | O18 | 60.1° | 60.0° |
| H161 | C16 | C17 | H171 | 65.1° | 60.0° |
| H161 | C16 | C17 | H172 | 174.6° | 180.0° |
| H162 | C16 | C17 | O18 | 169.6° | 179.9° |
| H162 | C16 | C17 | H171 | 44.4° | 60.0° |
| H162 | C16 | C17 | H172 | 65.1° | 60.0° |
| O18 | C17 | H171 | H172 | 115.3° | 120.0° |
| C17 | O18 | C19 | C20 | 88.2° | 180.0° |
| C17 | O18 | C19 | H191 | 37.0° | 60.0° |
| C17 | O18 | C19 | H192 | 146.5° | 60.0° |
| H171 | C17 | O18 | C19 | 145.3° | 60.0° |
| H172 | C17 | O18 | C19 | 35.9° | 60.1° |
| O18 | C19 | C20 | H191 | 125.3° | 120.1° |
| O18 | C19 | C20 | H192 | 125.2° | 120.0° |
| O18 | C19 | H191 | H192 | 116.2° | 120.0° |
| O18 | C19 | C20 | O21 | 40.2° | 60.1° |
| O18 | C19 | C20 | H201 | 85.1° | 180.0° |
| O18 | C19 | C20 | H202 | 165.4° | 59.9° |
| C20 | C19 | H191 | H192 | 116.2° | 119.9° |
| C19 | C20 | O21 | H201 | 125.3° | 120.0° |
| C19 | C20 | O21 | H202 | 125.3° | 120.0° |
| C19 | C20 | H201 | H202 | 118.4° | 120.0° |
| C19 | C20 | O21 | HO2 | 180.0° | 180.0° |
| H191 | C19 | C20 | O21 | 165.5° | 60.1° |
| H191 | C19 | C20 | H201 | 40.2° | 59.9° |
| H191 | C19 | C20 | H202 | 69.3° | 180.0° |
| H192 | C19 | C20 | O21 | 85.0° | 180.0° |
| H192 | C19 | C20 | H201 | 149.7° | 60.0° |
| H192 | C19 | C20 | H202 | 40.2° | 60.0° |
| O21 | C20 | H201 | H202 | 118.3° | 119.9° |
| H201 | C20 | O21 | HO2 | 54.7° | 60.0° |
| H202 | C20 | O21 | HO2 | 54.7° | 60.0° |
