E26
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| O26 | C12 | doub | 1.21Å | 1.19Å | |
| C12 | C13 | sing | 1.46Å | 1.54Å | |
| C12 | C11 | sing | 1.51Å | 1.55Å | |
| O27 | C11 | sing | 1.43Å | 1.38Å | |
| C15 | C14 | sing | 1.51Å | 1.54Å | |
| C15 | C17 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | doub | 1.33Å | 1.33Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C18 | C17 | sing | 1.53Å | 1.50Å | |
| C17 | O19 | sing | 1.46Å | 1.42Å | |
| C10 | O28 | sing | 1.43Å | 1.40Å | |
| C10 | C09 | sing | 1.53Å | 1.54Å | |
| O19 | C20 | sing | 1.34Å | 1.40Å | |
| C09 | C08 | sing | 1.51Å | 1.54Å | |
| O25 | C20 | doub | 1.22Å | 1.19Å | |
| C20 | C21 | sing | 1.46Å | 1.53Å | |
| C07 | C08 | doub | 1.32Å | 1.34Å | |
| C07 | C06 | sing | 1.47Å | 1.54Å | |
| C21 | C06 | doub | 1.42Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
| O24 | C22 | sing | 1.36Å | 1.40Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | N03 | sing | 1.39Å | 1.45Å | |
| N03 | C02 | sing | 1.46Å | 1.45Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.09Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| O24 | H241 | sing | 0.97Å | 0.95Å | |
| O27 | H271 | sing | 0.97Å | 0.95Å | |
| O28 | H281 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 110.2° | 109.4° |
| C16 | C15 | C17 | 111.2° | 109.4° |
| C16 | C15 | H151 | 109.0° | 109.4° |
| C15 | C16 | H163 | 109.5° | 109.5° |
| C15 | C16 | H161 | 109.5° | 109.5° |
| C15 | C16 | H162 | 109.5° | 109.5° |
| O26 | C12 | C13 | 124.6° | 120.1° |
| O26 | C12 | C11 | 120.7° | 120.1° |
| C13 | C12 | C11 | 114.4° | 119.8° |
| C12 | C13 | C14 | 126.1° | 120.3° |
| C12 | C13 | H131 | 117.0° | 119.8° |
| C12 | C11 | O27 | 110.4° | 109.4° |
| C12 | C11 | C10 | 106.8° | 109.6° |
| C12 | C11 | H111 | 108.2° | 109.5° |
| O27 | C11 | C10 | 112.3° | 109.5° |
| O27 | C11 | H111 | 110.7° | 109.4° |
| C11 | O27 | H271 | 109.5° | 114.0° |
| C14 | C15 | C17 | 108.8° | 109.8° |
| C15 | C14 | C13 | 124.9° | 120.4° |
| C15 | C14 | H141 | 117.6° | 119.6° |
| C14 | C15 | H151 | 108.8° | 109.4° |
| C15 | C17 | C18 | 112.5° | 109.6° |
| C15 | C17 | O19 | 104.0° | 108.7° |
| C17 | C15 | H151 | 108.8° | 109.5° |
| C15 | C17 | H171 | 108.7° | 109.6° |
| C14 | C13 | H131 | 116.9° | 119.9° |
| C13 | C14 | H141 | 117.6° | 119.9° |
| C11 | C10 | O28 | 109.9° | 109.4° |
| C11 | C10 | C09 | 114.5° | 109.9° |
| C11 | C10 | H101 | 107.5° | 109.3° |
| C10 | C11 | H111 | 108.3° | 109.4° |
| C18 | C17 | O19 | 112.2° | 109.6° |
| C18 | C17 | H171 | 109.1° | 109.7° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.4° |
| C17 | O19 | C20 | 117.4° | 115.8° |
| O19 | C17 | H171 | 110.3° | 109.6° |
| O28 | C10 | C09 | 107.8° | 109.5° |
| O28 | C10 | H101 | 109.4° | 109.4° |
| C10 | O28 | H281 | 109.5° | 114.0° |
| C10 | C09 | C08 | 108.3° | 109.2° |
| C10 | C09 | H091 | 109.8° | 109.5° |
| C10 | C09 | H092 | 109.8° | 109.6° |
| C09 | C10 | H101 | 107.6° | 109.4° |
| O19 | C20 | O25 | 120.1° | 119.0° |
| O19 | C20 | C21 | 117.9° | 122.1° |
| C09 | C08 | C07 | 121.0° | 119.9° |
| C09 | C08 | H081 | 119.5° | 119.7° |
| C08 | C09 | H091 | 109.8° | 109.5° |
| C08 | C09 | H092 | 109.8° | 109.5° |
| O25 | C20 | C21 | 122.0° | 118.9° |
| C20 | C21 | C06 | 123.6° | 118.9° |
| C20 | C21 | C22 | 117.1° | 121.4° |
| C08 | C07 | C06 | 120.1° | 122.5° |
| C08 | C07 | H071 | 119.9° | 118.7° |
| C07 | C08 | H081 | 119.5° | 120.4° |
| C07 | C06 | C21 | 123.9° | 118.0° |
| C07 | C06 | C05 | 117.3° | 122.2° |
| C06 | C07 | H071 | 119.9° | 118.8° |
| C06 | C21 | C22 | 119.4° | 119.6° |
| C21 | C06 | C05 | 118.8° | 119.8° |
| C21 | C22 | O24 | 119.1° | 120.2° |
| C21 | C22 | C23 | 121.2° | 119.7° |
| C06 | C05 | C04 | 121.3° | 119.9° |
| C06 | C05 | H051 | 119.3° | 120.1° |
| O24 | C22 | C23 | 119.8° | 120.2° |
| C22 | O24 | H241 | 109.5° | 114.1° |
| C22 | C23 | C04 | 118.8° | 120.5° |
| C22 | C23 | H231 | 120.6° | 119.8° |
| C05 | C04 | C23 | 120.6° | 120.5° |
| C05 | C04 | N03 | 119.1° | 119.7° |
| C04 | C05 | H051 | 119.3° | 120.1° |
| C23 | C04 | N03 | 120.3° | 119.8° |
| C04 | C23 | H231 | 120.6° | 119.8° |
| C04 | N03 | C02 | 119.3° | 120.0° |
| C04 | N03 | H031 | 106.9° | 120.0° |
| N03 | C02 | C01 | 107.7° | 109.5° |
| N03 | C02 | H022 | 109.9° | 109.5° |
| N03 | C02 | H021 | 109.9° | 109.5° |
| C02 | N03 | H031 | 107.0° | 120.0° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H022 | 109.9° | 109.5° |
| C01 | C02 | H021 | 109.9° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H022 | C02 | H021 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.4° | 109.5° |
| H163 | C16 | H161 | 109.5° | 109.5° |
| H163 | C16 | H162 | 109.4° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.4° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H183 | C18 | H182 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | C17 | 122.1° | 120.1° |
| C16 | C15 | C14 | H151 | 119.5° | 119.8° |
| C16 | C15 | C17 | H151 | 120.0° | 119.9° |
| C16 | C15 | C14 | C13 | 98.7° | 117.3° |
| C16 | C15 | C17 | C18 | 58.7° | 16.4° |
| C16 | C15 | C17 | O19 | 179.7° | 103.3° |
| C16 | C15 | C14 | H141 | 81.3° | 62.8° |
| C15 | C16 | H163 | H161 | 120.0° | 120.0° |
| C15 | C16 | H163 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H162 | 120.0° | 120.0° |
| C16 | C15 | C17 | H171 | 62.2° | 136.9° |
| O26 | C12 | C13 | C11 | 173.0° | 179.9° |
| O26 | C12 | C11 | O27 | 9.9° | 126.8° |
| O26 | C12 | C13 | C14 | 16.3° | 1.3° |
| O26 | C12 | C11 | C10 | 112.4° | 6.8° |
| O26 | C12 | C11 | H111 | 131.2° | 113.2° |
| O26 | C12 | C13 | H131 | 163.7° | 178.5° |
| C13 | C12 | C11 | O27 | 176.8° | 53.2° |
| C12 | C13 | C14 | C15 | 3.7° | 0.3° |
| C12 | C13 | C14 | H131 | 180.0° | 179.8° |
| C13 | C12 | C11 | C10 | 60.9° | 173.3° |
| C13 | C12 | C11 | H111 | 55.5° | 66.7° |
| C12 | C13 | C14 | H141 | 176.2° | 179.6° |
| C12 | C11 | O27 | C10 | 119.0° | 120.1° |
| C12 | C11 | O27 | H111 | 119.8° | 119.9° |
| C11 | C12 | C13 | C14 | 156.7° | 178.6° |
| C12 | C11 | C10 | H111 | 116.4° | 120.0° |
| C12 | C11 | C10 | O28 | 168.0° | 24.5° |
| C12 | C11 | C10 | C09 | 70.5° | 95.7° |
| C12 | C11 | C10 | H101 | 49.0° | 144.3° |
| C11 | C12 | C13 | H131 | 23.3° | 1.5° |
| C12 | C11 | O27 | H271 | 4.2° | 59.8° |
| O27 | C11 | C10 | H111 | 122.5° | 119.9° |
| O27 | C11 | C10 | O28 | 70.9° | 95.5° |
| O27 | C11 | C10 | C09 | 50.6° | 144.3° |
| O27 | C11 | C10 | H101 | 170.1° | 24.2° |
| C14 | C15 | C17 | H151 | 118.4° | 120.1° |
| C15 | C14 | C13 | H141 | 180.0° | 179.9° |
| C14 | C15 | C17 | C18 | 179.8° | 103.6° |
| C14 | C15 | C17 | O19 | 58.2° | 136.6° |
| C15 | C14 | C13 | H131 | 176.3° | 179.5° |
| C14 | C15 | C16 | H163 | 180.0° | 60.0° |
| C14 | C15 | C16 | H161 | 60.0° | 180.0° |
| C14 | C15 | C16 | H162 | 60.0° | 60.0° |
| C14 | C15 | C17 | H171 | 59.3° | 16.8° |
| C17 | C15 | C14 | C13 | 139.2° | 122.6° |
| C15 | C17 | C18 | O19 | 116.8° | 119.3° |
| C15 | C17 | C18 | H171 | 120.7° | 120.4° |
| C15 | C17 | O19 | H171 | 116.3° | 119.8° |
| C15 | C17 | O19 | C20 | 152.6° | 48.7° |
| C17 | C15 | C14 | H141 | 40.8° | 57.3° |
| C17 | C15 | C16 | H163 | 59.3° | 60.3° |
| C17 | C15 | C16 | H161 | 179.3° | 59.7° |
| C17 | C15 | C16 | H162 | 60.6° | 179.7° |
| C15 | C17 | C18 | H181 | 180.0° | 60.0° |
| C15 | C17 | C18 | H183 | 60.0° | 180.0° |
| C15 | C17 | C18 | H182 | 60.0° | 59.9° |
| C13 | C14 | C15 | H151 | 20.8° | 2.5° |
| C11 | C10 | O28 | C09 | 125.4° | 120.4° |
| C11 | C10 | O28 | H101 | 117.9° | 119.7° |
| C11 | C10 | C09 | H101 | 119.4° | 120.0° |
| C11 | C10 | C09 | C08 | 142.4° | 107.8° |
| C11 | C10 | C09 | H091 | 97.8° | 132.4° |
| C11 | C10 | C09 | H092 | 22.5° | 12.2° |
| C10 | C11 | O27 | H271 | 114.8° | 180.0° |
| C11 | C10 | O28 | H281 | 180.0° | 179.6° |
| C18 | C17 | O19 | H171 | 121.8° | 120.4° |
| C18 | C17 | O19 | C20 | 85.5° | 168.5° |
| C18 | C17 | C15 | H151 | 61.4° | 136.3° |
| C17 | C18 | H181 | H183 | 120.0° | 120.1° |
| C17 | C18 | H181 | H182 | 120.0° | 119.9° |
| C17 | C18 | H183 | H182 | 120.0° | 120.0° |
| C17 | O19 | C20 | O25 | 1.0° | 7.4° |
| C17 | O19 | C20 | C21 | 178.8° | 172.7° |
| O19 | C17 | C15 | H151 | 60.2° | 16.6° |
| O19 | C17 | C18 | H181 | 63.2° | 179.2° |
| O19 | C17 | C18 | H183 | 56.8° | 60.7° |
| O19 | C17 | C18 | H182 | 176.8° | 59.3° |
| O28 | C10 | C09 | H101 | 117.9° | 119.9° |
| O28 | C10 | C09 | C08 | 94.9° | 12.3° |
| O28 | C10 | C09 | H091 | 24.9° | 107.5° |
| O28 | C10 | C09 | H092 | 145.2° | 132.3° |
| O28 | C10 | C11 | H111 | 51.6° | 144.5° |
| C10 | C09 | C08 | H091 | 119.8° | 119.9° |
| C10 | C09 | C08 | H092 | 119.8° | 120.0° |
| C10 | C09 | C08 | C07 | 96.4° | 96.6° |
| C10 | C09 | C08 | H081 | 83.6° | 82.0° |
| C10 | C09 | H091 | H092 | 120.5° | 120.2° |
| C09 | C10 | C11 | H111 | 173.2° | 24.4° |
| C09 | C10 | O28 | H281 | 54.6° | 60.0° |
| O19 | C20 | O25 | C21 | 177.7° | 179.9° |
| O19 | C20 | C21 | C06 | 5.5° | 175.2° |
| O19 | C20 | C21 | C22 | 174.5° | 4.2° |
| C20 | O19 | C17 | H171 | 36.3° | 71.1° |
| C09 | C08 | C07 | H081 | 180.0° | 178.7° |
| C09 | C08 | C07 | C06 | 177.9° | 177.7° |
| C09 | C08 | C07 | H071 | 2.1° | 3.8° |
| C08 | C09 | H091 | H092 | 120.6° | 120.1° |
| C08 | C09 | C10 | H101 | 23.0° | 132.2° |
| O25 | C20 | C21 | C06 | 176.8° | 4.8° |
| O25 | C20 | C21 | C22 | 3.2° | 175.7° |
| C20 | C21 | C06 | C07 | 1.5° | 2.4° |
| C20 | C21 | C06 | C22 | 180.0° | 179.4° |
| C20 | C21 | C06 | C05 | 179.9° | 175.4° |
| C20 | C21 | C22 | O24 | 0.2° | 3.2° |
| C20 | C21 | C22 | C23 | 179.5° | 177.1° |
| C08 | C07 | C06 | H071 | 180.0° | 178.5° |
| C08 | C07 | C06 | C21 | 155.6° | 135.5° |
| C08 | C07 | C06 | C05 | 22.9° | 42.3° |
| C07 | C08 | C09 | H091 | 143.8° | 143.4° |
| C07 | C08 | C09 | H092 | 23.4° | 23.3° |
| C07 | C06 | C21 | C05 | 178.4° | 177.8° |
| C07 | C06 | C21 | C22 | 178.5° | 178.1° |
| C07 | C06 | C05 | C04 | 179.1° | 179.4° |
| C07 | C06 | C05 | H051 | 0.8° | 0.7° |
| C06 | C07 | C08 | H081 | 2.1° | 1.0° |
| C06 | C21 | C22 | O24 | 179.8° | 177.4° |
| C06 | C21 | C22 | C23 | 0.5° | 2.3° |
| C21 | C06 | C05 | C04 | 0.6° | 2.9° |
| C21 | C06 | C05 | H051 | 179.4° | 177.0° |
| C21 | C06 | C07 | H071 | 24.5° | 46.0° |
| C22 | C21 | C06 | C05 | 0.1° | 4.1° |
| C21 | C22 | O24 | C23 | 179.3° | 179.7° |
| C21 | C22 | C23 | C04 | 0.6° | 0.6° |
| C21 | C22 | C23 | H231 | 179.4° | 179.9° |
| C21 | C22 | O24 | H241 | 1.5° | 90.0° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | C23 | 0.5° | 0.1° |
| C06 | C05 | C04 | N03 | 179.7° | 179.7° |
| C05 | C06 | C07 | H071 | 157.1° | 136.2° |
| O24 | C22 | C23 | C04 | 179.8° | 179.7° |
| O24 | C22 | C23 | H231 | 0.2° | 0.2° |
| C22 | C23 | C04 | C05 | 0.1° | 1.9° |
| C22 | C23 | C04 | H231 | 180.0° | 179.5° |
| C22 | C23 | C04 | N03 | 179.7° | 178.5° |
| C23 | C22 | O24 | H241 | 179.2° | 89.7° |
| C05 | C04 | C23 | N03 | 179.8° | 179.7° |
| C05 | C04 | N03 | C02 | 174.0° | 180.0° |
| C05 | C04 | C23 | H231 | 179.9° | 178.6° |
| C05 | C04 | N03 | H031 | 64.6° | 0.0° |
| C23 | C04 | N03 | C02 | 6.2° | 0.3° |
| C23 | C04 | C05 | H051 | 179.5° | 180.0° |
| C23 | C04 | N03 | H031 | 115.2° | 179.7° |
| C04 | N03 | C02 | H031 | 121.4° | 180.0° |
| C04 | N03 | C02 | C01 | 173.3° | 180.0° |
| C04 | N03 | C02 | H022 | 53.5° | 60.0° |
| C04 | N03 | C02 | H021 | 67.0° | 60.0° |
| N03 | C04 | C05 | H051 | 0.3° | 0.3° |
| N03 | C04 | C23 | H231 | 0.3° | 1.0° |
| N03 | C02 | C01 | H022 | 119.7° | 120.0° |
| N03 | C02 | C01 | H021 | 119.7° | 120.0° |
| N03 | C02 | C01 | H011 | 180.0° | 60.0° |
| N03 | C02 | C01 | H013 | 60.0° | 180.0° |
| N03 | C02 | C01 | H012 | 60.0° | 60.0° |
| N03 | C02 | H022 | H021 | 120.8° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C01 | C02 | H022 | H021 | 120.8° | 120.0° |
| C01 | C02 | N03 | H031 | 65.4° | 0.0° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H011 | C01 | C02 | H022 | 60.3° | 180.0° |
| H011 | C01 | C02 | H021 | 60.3° | 60.0° |
| H013 | C01 | C02 | H022 | 179.7° | 60.0° |
| H013 | C01 | C02 | H021 | 59.7° | 60.0° |
| H012 | C01 | C02 | H022 | 59.7° | 60.0° |
| H012 | C01 | C02 | H021 | 179.7° | NaN° |
| H022 | C02 | N03 | H031 | 174.9° | 120.0° |
| H021 | C02 | N03 | H031 | 54.3° | 120.0° |
| H071 | C07 | C08 | H081 | 177.9° | 177.5° |
| H081 | C08 | C09 | H091 | 36.2° | 37.9° |
| H081 | C08 | C09 | H092 | 156.5° | 158.0° |
| H091 | C09 | C10 | H101 | 142.8° | 12.3° |
| H092 | C09 | C10 | H101 | 96.9° | 107.9° |
| H101 | C10 | C11 | H111 | 67.4° | 95.7° |
| H101 | C10 | O28 | H281 | 62.1° | 59.9° |
| H111 | C11 | O27 | H271 | 124.0° | 60.1° |
| H131 | C13 | C14 | H141 | 3.7° | 0.5° |
| H141 | C14 | C15 | H151 | 159.2° | 177.4° |
| H151 | C15 | C16 | H163 | 60.6° | 179.8° |
| H151 | C15 | C16 | H161 | 59.4° | 60.2° |
| H151 | C15 | C16 | H162 | 179.4° | 59.8° |
| H151 | C15 | C17 | H171 | 177.7° | 103.2° |
| H163 | C16 | H161 | H162 | 120.0° | 120.0° |
| H171 | C17 | C18 | H181 | 59.3° | 60.5° |
| H171 | C17 | C18 | H183 | 179.3° | 59.6° |
| H171 | C17 | C18 | H182 | 60.7° | 179.6° |
| H181 | C18 | H183 | H182 | 120.0° | 120.0° |
