AE4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H2C1 | sing | 1.09Å | 1.12Å | |
| C2 | H2C2 | sing | 1.09Å | 1.11Å | |
| C2 | H2C3 | sing | 1.09Å | 1.12Å | |
| C3 | O4 | sing | 1.43Å | 1.43Å | |
| C3 | H3C1 | sing | 1.09Å | 1.12Å | |
| C3 | H3C2 | sing | 1.09Å | 1.11Å | |
| O4 | C5 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H5C1 | sing | 1.09Å | 1.12Å | |
| C5 | H5C2 | sing | 1.09Å | 1.11Å | |
| C6 | O7 | sing | 1.43Å | 1.43Å | |
| C6 | H6C1 | sing | 1.09Å | 1.11Å | |
| C6 | H6C2 | sing | 1.09Å | 1.11Å | |
| O7 | C8 | sing | 1.43Å | 1.42Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | H8C1 | sing | 1.09Å | 1.11Å | |
| C8 | H8C2 | sing | 1.09Å | 1.11Å | |
| C9 | O10 | sing | 1.43Å | 1.43Å | |
| C9 | H9C1 | sing | 1.09Å | 1.11Å | |
| C9 | H9C2 | sing | 1.09Å | 1.11Å | |
| C11 | O10 | sing | 1.43Å | 1.42Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | O13 | sing | 1.43Å | 1.42Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| O13 | C14 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | O16 | sing | 1.43Å | 1.42Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| O16 | C17 | sing | 1.43Å | 1.45Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C18 | O19 | sing | 1.43Å | 1.42Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| O19 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | H2C1 | 110.4° | 109.4° |
| C3 | C2 | H2C2 | 111.9° | 109.4° |
| C3 | C2 | H2C3 | 111.8° | 109.5° |
| C2 | C3 | O4 | 110.4° | 109.5° |
| C2 | C3 | H3C1 | 111.8° | 109.5° |
| C2 | C3 | H3C2 | 111.9° | 109.5° |
| H2C1 | C2 | H2C2 | 111.9° | 109.5° |
| H2C1 | C2 | H2C3 | 111.8° | 109.5° |
| H2C2 | C2 | H2C3 | 98.5° | 109.5° |
| O4 | C3 | H3C1 | 111.9° | 109.5° |
| O4 | C3 | H3C2 | 111.9° | 109.5° |
| C3 | O4 | C5 | 110.6° | 106.8° |
| H3C1 | C3 | H3C2 | 98.5° | 109.4° |
| O4 | C5 | C6 | 111.3° | 109.5° |
| O4 | C5 | H5C1 | 111.5° | 109.4° |
| O4 | C5 | H5C2 | 111.6° | 109.5° |
| C6 | C5 | H5C1 | 111.6° | 109.5° |
| C6 | C5 | H5C2 | 111.6° | 109.5° |
| C5 | C6 | O7 | 108.9° | 109.5° |
| C5 | C6 | H6C1 | 112.4° | 109.5° |
| C5 | C6 | H6C2 | 112.4° | 109.5° |
| H5C1 | C5 | H5C2 | 98.8° | 109.4° |
| O7 | C6 | H6C1 | 112.4° | 109.5° |
| O7 | C6 | H6C2 | 112.4° | 109.4° |
| C6 | O7 | C8 | 113.1° | 106.8° |
| H6C1 | C6 | H6C2 | 98.0° | 109.5° |
| O7 | C8 | C9 | 108.0° | 109.5° |
| O7 | C8 | H8C1 | 112.7° | 109.4° |
| O7 | C8 | H8C2 | 112.8° | 109.5° |
| C9 | C8 | H8C1 | 112.8° | 109.5° |
| C9 | C8 | H8C2 | 112.7° | 109.5° |
| C8 | C9 | O10 | 109.5° | 109.5° |
| C8 | C9 | H9C1 | 112.2° | 109.5° |
| C8 | C9 | H9C2 | 112.2° | 109.4° |
| H8C1 | C8 | H8C2 | 97.7° | 109.5° |
| O10 | C9 | H9C1 | 112.2° | 109.5° |
| O10 | C9 | H9C2 | 112.2° | 109.4° |
| C9 | O10 | C11 | 111.9° | 106.8° |
| H9C1 | C9 | H9C2 | 98.2° | 109.5° |
| O10 | C11 | C12 | 108.5° | 109.5° |
| O10 | C11 | H111 | 112.6° | 109.5° |
| O10 | C11 | H112 | 112.6° | 109.5° |
| C12 | C11 | H111 | 112.6° | 109.5° |
| C12 | C11 | H112 | 112.6° | 109.4° |
| C11 | C12 | O13 | 107.1° | 109.5° |
| C11 | C12 | H121 | 113.1° | 109.5° |
| C11 | C12 | H122 | 113.1° | 109.5° |
| H111 | C11 | H112 | 97.9° | 109.5° |
| O13 | C12 | H121 | 113.1° | 109.4° |
| O13 | C12 | H122 | 113.1° | 109.4° |
| C12 | O13 | C14 | 112.9° | 106.8° |
| H121 | C12 | H122 | 97.4° | 109.5° |
| O13 | C14 | C15 | 106.9° | 109.5° |
| O13 | C14 | H141 | 113.2° | 109.5° |
| O13 | C14 | H142 | 113.2° | 109.5° |
| C15 | C14 | H141 | 113.2° | 109.5° |
| C15 | C14 | H142 | 113.2° | 109.5° |
| C14 | C15 | O16 | 105.9° | 109.5° |
| C14 | C15 | H151 | 113.6° | 109.5° |
| C14 | C15 | H152 | 113.6° | 109.5° |
| H141 | C14 | H142 | 97.3° | 109.4° |
| O16 | C15 | H151 | 113.6° | 109.4° |
| O16 | C15 | H152 | 113.6° | 109.5° |
| C15 | O16 | C17 | 112.5° | 106.8° |
| H151 | C15 | H152 | 96.9° | 109.5° |
| O16 | C17 | C18 | 102.4° | 109.4° |
| O16 | C17 | H171 | 114.9° | 109.5° |
| O16 | C17 | H172 | 114.9° | 109.5° |
| C18 | C17 | H171 | 114.9° | 109.5° |
| C18 | C17 | H172 | 114.9° | 109.5° |
| C17 | C18 | O19 | 114.8° | 109.5° |
| C17 | C18 | H181 | 110.3° | 109.5° |
| C17 | C18 | H182 | 110.3° | 109.5° |
| H171 | C17 | H172 | 95.6° | 109.5° |
| O19 | C18 | H181 | 110.3° | 109.4° |
| O19 | C18 | H182 | 110.3° | 109.5° |
| C18 | O19 | H19 | 114.8° | 106.8° |
| H181 | C18 | H182 | 99.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | H2C1 | H2C2 | 125.3° | 119.9° |
| C3 | C2 | H2C1 | H2C3 | 125.2° | 120.0° |
| C3 | C2 | H2C2 | H2C3 | 117.8° | 120.0° |
| C2 | C3 | O4 | H3C1 | 125.2° | 120.0° |
| C2 | C3 | O4 | H3C2 | 125.3° | 120.0° |
| C2 | C3 | H3C1 | H3C2 | 117.8° | 120.0° |
| C2 | C3 | O4 | C5 | 105.0° | 180.0° |
| H2C1 | C2 | H2C2 | H2C3 | 117.7° | 120.1° |
| H2C1 | C2 | C3 | O4 | 180.0° | 60.0° |
| H2C1 | C2 | C3 | H3C1 | 54.8° | 60.1° |
| H2C1 | C2 | C3 | H3C2 | 54.7° | 180.0° |
| H2C2 | C2 | C3 | O4 | 54.7° | 60.0° |
| H2C2 | C2 | C3 | H3C1 | 70.5° | 180.0° |
| H2C2 | C2 | C3 | H3C2 | 180.0° | 60.0° |
| H2C3 | C2 | C3 | O4 | 54.7° | 180.0° |
| H2C3 | C2 | C3 | H3C1 | 180.0° | 60.0° |
| H2C3 | C2 | C3 | H3C2 | 70.5° | 60.0° |
| O4 | C3 | H3C1 | H3C2 | 117.8° | 120.0° |
| C3 | O4 | C5 | C6 | 132.6° | 180.0° |
| C3 | O4 | C5 | H5C1 | 7.3° | 60.0° |
| C3 | O4 | C5 | H5C2 | 102.2° | 59.9° |
| H3C1 | C3 | O4 | C5 | 20.3° | 60.0° |
| H3C2 | C3 | O4 | C5 | 129.7° | 60.0° |
| O4 | C5 | C6 | H5C1 | 125.3° | 120.0° |
| O4 | C5 | C6 | H5C2 | 125.3° | 120.0° |
| O4 | C5 | H5C1 | H5C2 | 117.5° | 119.9° |
| O4 | C5 | C6 | O7 | 130.4° | 65.0° |
| O4 | C5 | C6 | H6C1 | 104.4° | 175.0° |
| O4 | C5 | C6 | H6C2 | 5.1° | 55.0° |
| C6 | C5 | H5C1 | H5C2 | 117.4° | 120.0° |
| C5 | C6 | O7 | H6C1 | 125.3° | 120.0° |
| C5 | C6 | O7 | H6C2 | 125.3° | 120.0° |
| C5 | C6 | H6C1 | H6C2 | 118.4° | 120.0° |
| C5 | C6 | O7 | C8 | 146.0° | 180.0° |
| H5C1 | C5 | C6 | O7 | 5.1° | 55.1° |
| H5C1 | C5 | C6 | H6C1 | 130.3° | 65.0° |
| H5C1 | C5 | C6 | H6C2 | 120.2° | 175.0° |
| H5C2 | C5 | C6 | O7 | 104.3° | 175.0° |
| H5C2 | C5 | C6 | H6C1 | 20.9° | 55.0° |
| H5C2 | C5 | C6 | H6C2 | 130.4° | 65.1° |
| O7 | C6 | H6C1 | H6C2 | 118.4° | 120.0° |
| C6 | O7 | C8 | C9 | 161.1° | 180.0° |
| C6 | O7 | C8 | H8C1 | 35.8° | 60.0° |
| C6 | O7 | C8 | H8C2 | 73.7° | 60.0° |
| H6C1 | C6 | O7 | C8 | 20.7° | 60.0° |
| H6C2 | C6 | O7 | C8 | 88.7° | 60.0° |
| O7 | C8 | C9 | H8C1 | 125.3° | 120.0° |
| O7 | C8 | C9 | H8C2 | 125.3° | 120.0° |
| O7 | C8 | H8C1 | H8C2 | 118.7° | 120.0° |
| O7 | C8 | C9 | O10 | 51.2° | 65.0° |
| O7 | C8 | C9 | H9C1 | 176.4° | 175.0° |
| O7 | C8 | C9 | H9C2 | 74.1° | 55.0° |
| C9 | C8 | H8C1 | H8C2 | 118.7° | 120.0° |
| C8 | C9 | O10 | H9C1 | 125.3° | 120.0° |
| C8 | C9 | O10 | H9C2 | 125.3° | 119.9° |
| C8 | C9 | H9C1 | H9C2 | 118.1° | 120.0° |
| C8 | C9 | O10 | C11 | 179.3° | 180.0° |
| H8C1 | C8 | C9 | O10 | 74.1° | 55.0° |
| H8C1 | C8 | C9 | H9C1 | 51.2° | 65.0° |
| H8C1 | C8 | C9 | H9C2 | 160.6° | 175.0° |
| H8C2 | C8 | C9 | O10 | 176.4° | 175.0° |
| H8C2 | C8 | C9 | H9C1 | 58.3° | 55.0° |
| H8C2 | C8 | C9 | H9C2 | 51.1° | 65.0° |
| O10 | C9 | H9C1 | H9C2 | 118.1° | 120.0° |
| C9 | O10 | C11 | C12 | 114.1° | 180.0° |
| C9 | O10 | C11 | H111 | 11.2° | 60.0° |
| C9 | O10 | C11 | H112 | 120.6° | 60.0° |
| H9C1 | C9 | O10 | C11 | 54.0° | 60.0° |
| H9C2 | C9 | O10 | C11 | 55.4° | 60.0° |
| O10 | C11 | C12 | H111 | 125.3° | 120.0° |
| O10 | C11 | C12 | H112 | 125.3° | 120.0° |
| O10 | C11 | H111 | H112 | 118.5° | 120.0° |
| O10 | C11 | C12 | O13 | 149.1° | 65.0° |
| O10 | C11 | C12 | H121 | 85.6° | 175.0° |
| O10 | C11 | C12 | H122 | 23.8° | 55.0° |
| C12 | C11 | H111 | H112 | 118.5° | 119.9° |
| C11 | C12 | O13 | H121 | 125.3° | 120.0° |
| C11 | C12 | O13 | H122 | 125.3° | 120.0° |
| C11 | C12 | H121 | H122 | 119.0° | 120.1° |
| C11 | C12 | O13 | C14 | 151.6° | 180.0° |
| H111 | C11 | C12 | O13 | 23.8° | 55.0° |
| H111 | C11 | C12 | H121 | 149.1° | 65.0° |
| H111 | C11 | C12 | H122 | 101.4° | 175.0° |
| H112 | C11 | C12 | O13 | 85.6° | 175.0° |
| H112 | C11 | C12 | H121 | 39.7° | 55.0° |
| H112 | C11 | C12 | H122 | 149.1° | 65.0° |
| O13 | C12 | H121 | H122 | 119.0° | 119.9° |
| C12 | O13 | C14 | C15 | 120.0° | 180.0° |
| C12 | O13 | C14 | H141 | 114.7° | 60.0° |
| C12 | O13 | C14 | H142 | 5.3° | 60.0° |
| H121 | C12 | O13 | C14 | 83.1° | 60.0° |
| H122 | C12 | O13 | C14 | 26.3° | 60.0° |
| O13 | C14 | C15 | H141 | 125.3° | 120.0° |
| O13 | C14 | C15 | H142 | 125.3° | 120.0° |
| O13 | C14 | H141 | H142 | 119.1° | 120.0° |
| O13 | C14 | C15 | O16 | 69.6° | 65.0° |
| O13 | C14 | C15 | H151 | 165.1° | 175.0° |
| O13 | C14 | C15 | H152 | 55.6° | 55.0° |
| C15 | C14 | H141 | H142 | 119.1° | 120.0° |
| C14 | C15 | O16 | H151 | 125.3° | 120.0° |
| C14 | C15 | O16 | H152 | 125.2° | 120.0° |
| C14 | C15 | H151 | H152 | 119.5° | 120.0° |
| C14 | C15 | O16 | C17 | 177.2° | 180.0° |
| H141 | C14 | C15 | O16 | 55.7° | 55.0° |
| H141 | C14 | C15 | H151 | 69.6° | 64.9° |
| H141 | C14 | C15 | H152 | 179.1° | 175.0° |
| H142 | C14 | C15 | O16 | 165.1° | 175.0° |
| H142 | C14 | C15 | H151 | 39.9° | 55.0° |
| H142 | C14 | C15 | H152 | 69.6° | 65.0° |
| O16 | C15 | H151 | H152 | 119.5° | 120.0° |
| C15 | O16 | C17 | C18 | 126.3° | 180.0° |
| C15 | O16 | C17 | H171 | 1.0° | 60.0° |
| C15 | O16 | C17 | H172 | 108.5° | 60.0° |
| H151 | C15 | O16 | C17 | 57.6° | 60.0° |
| H152 | C15 | O16 | C17 | 51.9° | 60.0° |
| O16 | C17 | C18 | H171 | 125.3° | 120.0° |
| O16 | C17 | C18 | H172 | 125.2° | 120.0° |
| O16 | C17 | H171 | H172 | 120.8° | 120.0° |
| O16 | C17 | C18 | O19 | 170.6° | 65.1° |
| O16 | C17 | C18 | H181 | 45.3° | 175.0° |
| O16 | C17 | C18 | H182 | 64.1° | 55.0° |
| C18 | C17 | H171 | H172 | 120.8° | 120.0° |
| C17 | C18 | O19 | H181 | 125.3° | 120.0° |
| C17 | C18 | O19 | H182 | 125.3° | 120.1° |
| C17 | C18 | H181 | H182 | 116.1° | 120.0° |
| C17 | C18 | O19 | H19 | 180.0° | 180.0° |
| H171 | C17 | C18 | O19 | 64.2° | 54.9° |
| H171 | C17 | C18 | H181 | 170.6° | 65.1° |
| H171 | C17 | C18 | H182 | 61.1° | 175.0° |
| H172 | C17 | C18 | O19 | 45.3° | 175.0° |
| H172 | C17 | C18 | H181 | 79.9° | 55.0° |
| H172 | C17 | C18 | H182 | 170.6° | 65.0° |
| O19 | C18 | H181 | H182 | 116.1° | 120.0° |
| H181 | C18 | O19 | H19 | 54.7° | 60.0° |
| H182 | C18 | O19 | H19 | 54.8° | 59.9° |
