A1EUO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SE1 | C2 | sing | 1.98Å | 1.82Å | Aromatic |
| SE1 | C3 | sing | 1.97Å | 1.89Å | Aromatic |
| C1 | C2 | doub | 1.36Å | 1.38Å | Aromatic |
| C1 | C9 | sing | 1.46Å | 1.43Å | Aromatic |
| C1 | F1 | sing | 1.35Å | 1.07Å | |
| C10 | O2 | sing | 1.43Å | 1.39Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C11 | C2 | sing | 1.40Å | 1.51Å | |
| C11 | O5 | doub | 1.21Å | 1.37Å | |
| C12 | C13 | sing | 1.54Å | 1.53Å | |
| C12 | C15 | sing | 1.54Å | 1.51Å | |
| C13 | C14 | sing | 1.54Å | 1.51Å | |
| C14 | C15 | sing | 1.54Å | 1.50Å | |
| C15 | C16 | sing | 1.51Å | 1.49Å | |
| C16 | O3 | doub | 1.21Å | 1.26Å | |
| C16 | O4 | sing | 1.34Å | 1.27Å | |
| C3 | C4 | doub | 1.36Å | 1.28Å | Aromatic |
| C3 | C9 | sing | 1.41Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.36Å | Aromatic |
| C5 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | O1 | sing | 1.36Å | 1.36Å | |
| C6 | O1 | sing | 1.43Å | 1.39Å | |
| C7 | C8 | sing | 1.37Å | 1.38Å | Aromatic |
| C7 | O2 | sing | 1.36Å | 1.37Å | |
| C8 | C9 | doub | 1.42Å | 1.41Å | Aromatic |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.08Å | 1.08Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.08Å | 1.08Å | |
| O4 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | SE1 | C3 | 85.7° | 92.5° |
| SE1 | C2 | C1 | 105.5° | 102.8° |
| SE1 | C2 | C11 | 119.6° | 128.6° |
| SE1 | C3 | C4 | 120.2° | 133.1° |
| SE1 | C3 | C9 | 121.2° | 103.9° |
| C2 | C1 | C9 | 129.5° | 123.0° |
| C2 | C1 | F1 | 116.2° | 118.5° |
| C1 | C2 | C11 | 134.4° | 128.6° |
| C9 | C1 | F1 | 114.2° | 118.5° |
| C1 | C9 | C3 | 98.0° | 117.8° |
| C1 | C9 | C8 | 136.4° | 126.3° |
| C10 | O2 | C7 | 117.4° | 117.0° |
| O2 | C10 | H102 | 109.5° | 109.4° |
| O2 | C10 | H101 | 109.5° | 109.5° |
| O2 | C10 | H103 | 109.5° | 109.4° |
| C12 | C11 | C2 | 111.9° | 120.0° |
| C12 | C11 | O5 | 122.0° | 120.0° |
| C11 | C12 | C13 | 109.8° | 113.6° |
| C11 | C12 | C15 | 126.1° | 113.6° |
| C11 | C12 | H121 | 110.3° | 112.8° |
| C2 | C11 | O5 | 119.7° | 120.0° |
| C13 | C12 | C15 | 88.0° | 87.1° |
| C12 | C13 | C14 | 88.0° | 87.1° |
| C13 | C12 | H121 | 109.9° | 113.6° |
| C12 | C13 | H132 | 114.5° | 113.6° |
| C12 | C13 | H131 | 114.5° | 113.7° |
| C12 | C15 | C14 | 89.1° | 87.2° |
| C12 | C15 | C16 | 116.9° | 113.6° |
| C12 | C15 | H151 | 111.6° | 113.6° |
| C15 | C12 | H121 | 110.1° | 113.8° |
| C13 | C14 | C15 | 88.7° | 87.0° |
| C14 | C13 | H132 | 114.5° | 113.5° |
| C14 | C13 | H131 | 114.5° | 113.7° |
| C13 | C14 | H142 | 114.4° | 113.6° |
| C13 | C14 | H141 | 114.4° | 113.7° |
| C14 | C15 | C16 | 113.7° | 113.6° |
| C14 | C15 | H151 | 111.7° | 113.6° |
| C15 | C14 | H142 | 114.4° | 113.5° |
| C15 | C14 | H141 | 114.4° | 113.7° |
| C15 | C16 | O3 | 121.6° | 120.0° |
| C15 | C16 | O4 | 116.8° | 120.0° |
| C16 | C15 | H151 | 111.9° | 112.8° |
| O3 | C16 | O4 | 121.7° | 120.0° |
| C16 | O4 | H1 | 109.5° | 117.0° |
| C4 | C3 | C9 | 118.4° | 123.0° |
| C3 | C4 | C5 | 120.0° | 120.0° |
| C3 | C4 | H41 | 120.0° | 120.0° |
| C3 | C9 | C8 | 125.6° | 115.9° |
| C4 | C5 | C7 | 123.4° | 118.8° |
| C4 | C5 | O1 | 118.1° | 120.6° |
| C5 | C4 | H41 | 120.0° | 120.0° |
| C7 | C5 | O1 | 118.4° | 120.6° |
| C5 | C7 | C8 | 119.2° | 121.0° |
| C5 | C7 | O2 | 111.3° | 119.5° |
| C5 | O1 | C6 | 116.4° | 117.0° |
| O1 | C6 | H63 | 109.5° | 109.5° |
| O1 | C6 | H62 | 109.5° | 109.5° |
| O1 | C6 | H61 | 109.5° | 109.4° |
| C8 | C7 | O2 | 129.4° | 119.4° |
| C7 | C8 | C9 | 113.2° | 121.1° |
| C7 | C8 | H81 | 123.4° | 119.4° |
| C9 | C8 | H81 | 123.4° | 119.5° |
| H102 | C10 | H101 | 109.4° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 112.9° |
| H142 | C14 | H141 | 109.5° | 112.9° |
| H63 | C6 | H62 | 109.5° | 109.5° |
| H63 | C6 | H61 | 109.5° | 109.5° |
| H62 | C6 | H61 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SE1 | C2 | C1 | C11 | 172.0° | 180.0° |
| SE1 | C2 | C1 | C9 | 1.7° | 0.1° |
| SE1 | C2 | C1 | F1 | 179.0° | 180.0° |
| SE1 | C2 | C11 | C12 | 6.2° | 180.0° |
| SE1 | C2 | C11 | O5 | 158.8° | 0.0° |
| C2 | SE1 | C3 | C4 | 176.2° | 180.0° |
| C2 | SE1 | C3 | C9 | 0.8° | 0.0° |
| C3 | SE1 | C2 | C1 | 0.4° | 0.0° |
| SE1 | C3 | C9 | C1 | 1.6° | 0.0° |
| C3 | SE1 | C2 | C11 | 173.8° | 180.0° |
| SE1 | C3 | C4 | C9 | 175.5° | 180.0° |
| SE1 | C3 | C4 | C5 | 179.0° | 180.0° |
| SE1 | C3 | C9 | C8 | 179.2° | 179.9° |
| SE1 | C3 | C4 | H41 | 1.0° | 0.0° |
| C2 | C1 | C9 | F1 | 177.3° | 179.9° |
| C1 | C2 | C11 | C12 | 177.3° | 0.0° |
| C1 | C2 | C11 | O5 | 30.1° | 180.0° |
| C2 | C1 | C9 | C3 | 2.2° | 0.1° |
| C2 | C1 | C9 | C8 | 178.8° | 180.0° |
| C9 | C1 | C2 | C11 | 173.7° | 180.0° |
| C1 | C9 | C3 | C4 | 177.0° | 180.0° |
| C1 | C9 | C3 | C8 | 179.2° | 179.9° |
| C1 | C9 | C8 | C7 | 179.6° | 180.0° |
| C1 | C9 | C8 | H81 | 0.4° | 0.0° |
| F1 | C1 | C2 | C11 | 9.0° | 0.0° |
| F1 | C1 | C9 | C3 | 179.5° | 180.0° |
| F1 | C1 | C9 | C8 | 1.5° | 0.1° |
| C10 | O2 | C7 | C5 | 176.4° | 180.0° |
| C10 | O2 | C7 | C8 | 5.7° | 0.1° |
| O2 | C10 | H102 | H101 | 120.0° | 120.0° |
| O2 | C10 | H102 | H103 | 120.0° | 119.9° |
| O2 | C10 | H101 | H103 | 120.0° | 120.0° |
| C12 | C11 | C2 | O5 | 152.6° | 180.0° |
| C11 | C12 | C13 | C15 | 127.9° | 114.5° |
| C11 | C12 | C13 | H121 | 121.4° | 130.7° |
| C11 | C12 | C15 | H121 | 136.3° | 130.9° |
| C11 | C12 | C13 | C14 | 146.5° | 89.2° |
| C11 | C12 | C15 | C14 | 132.0° | 89.2° |
| C11 | C12 | C15 | C16 | 15.8° | 25.5° |
| C11 | C12 | C15 | H151 | 114.9° | 156.3° |
| C11 | C12 | C13 | H132 | 97.3° | 156.4° |
| C11 | C12 | C13 | H131 | 30.4° | 25.5° |
| C2 | C11 | C12 | C13 | 165.2° | 93.2° |
| C2 | C11 | C12 | C15 | 62.7° | 169.3° |
| C2 | C11 | C12 | H121 | 73.6° | 38.0° |
| O5 | C11 | C12 | C13 | 13.3° | 86.8° |
| O5 | C11 | C12 | C15 | 89.2° | 10.7° |
| O5 | C11 | C12 | H121 | 134.5° | 142.1° |
| C13 | C12 | C15 | H121 | 110.4° | 114.6° |
| C12 | C13 | C14 | H132 | 116.2° | 114.5° |
| C12 | C13 | C14 | H131 | 116.1° | 114.6° |
| C13 | C12 | C15 | C14 | 18.8° | 25.4° |
| C13 | C12 | C15 | C16 | 97.5° | 140.0° |
| C13 | C12 | C15 | H151 | 131.8° | 89.2° |
| C12 | C13 | H132 | H131 | 130.2° | 131.3° |
| C12 | C13 | C14 | H142 | 97.6° | 89.1° |
| C12 | C13 | C14 | H141 | 135.0° | 140.0° |
| C12 | C15 | C14 | C16 | 119.1° | 114.6° |
| C12 | C15 | C14 | H151 | 113.0° | 114.6° |
| C12 | C15 | C16 | H151 | 130.6° | 131.2° |
| C12 | C15 | C16 | O3 | 63.3° | 112.8° |
| C12 | C15 | C16 | O4 | 115.3° | 67.2° |
| C15 | C12 | C13 | H132 | 134.8° | 89.1° |
| C15 | C12 | C13 | H131 | 97.6° | 140.0° |
| C12 | C15 | C14 | H142 | 97.4° | 89.1° |
| C12 | C15 | C14 | H141 | 135.2° | 139.9° |
| C13 | C14 | C15 | H142 | 116.3° | 114.5° |
| C13 | C14 | C15 | H141 | 116.3° | 114.6° |
| C13 | C14 | C15 | C16 | 100.2° | 139.9° |
| C13 | C14 | C15 | H151 | 131.9° | 89.3° |
| C14 | C13 | C12 | H121 | 92.0° | 140.1° |
| C14 | C13 | H132 | H131 | 130.2° | 131.2° |
| C13 | C14 | H142 | H141 | 129.9° | 131.3° |
| C14 | C15 | C16 | H151 | 127.8° | 131.2° |
| C14 | C15 | C16 | O3 | 38.3° | 15.1° |
| C14 | C15 | C16 | O4 | 143.0° | 164.8° |
| C14 | C15 | C12 | H121 | 91.7° | 139.9° |
| C15 | C14 | C13 | H132 | 134.9° | 89.2° |
| C15 | C14 | C13 | H131 | 97.4° | 139.9° |
| C15 | C14 | H142 | H141 | 129.9° | 131.4° |
| C15 | C16 | O3 | O4 | 178.6° | 179.9° |
| C16 | C15 | C12 | H121 | 152.1° | 105.5° |
| C16 | C15 | C14 | H142 | 143.5° | 25.5° |
| C16 | C15 | C14 | H141 | 16.1° | 105.5° |
| C15 | C16 | O4 | H1 | 178.6° | 180.0° |
| O3 | C16 | C15 | H151 | 166.1° | 116.0° |
| O3 | C16 | O4 | H1 | 0.0° | 0.1° |
| O4 | C16 | C15 | H151 | 15.2° | 64.0° |
| C3 | C4 | C5 | H41 | 180.0° | 180.0° |
| C3 | C4 | C5 | C7 | 5.6° | 0.0° |
| C3 | C4 | C5 | O1 | 178.9° | 180.0° |
| C4 | C3 | C9 | C8 | 3.8° | 0.1° |
| C9 | C3 | C4 | C5 | 5.5° | 0.0° |
| C3 | C9 | C8 | C7 | 1.6° | 0.1° |
| C9 | C3 | C4 | H41 | 174.5° | 180.0° |
| C3 | C9 | C8 | H81 | 178.5° | 179.9° |
| C4 | C5 | C7 | O1 | 175.5° | 179.9° |
| C4 | C5 | O1 | C6 | 10.7° | 0.1° |
| C4 | C5 | C7 | C8 | 3.3° | 0.0° |
| C4 | C5 | C7 | O2 | 178.6° | 179.9° |
| C7 | C5 | O1 | C6 | 165.1° | 180.0° |
| C5 | C7 | C8 | O2 | 177.7° | 179.9° |
| C5 | C7 | C8 | C9 | 1.2° | 0.1° |
| C7 | C5 | C4 | H41 | 174.4° | 180.0° |
| C5 | C7 | C8 | H81 | 178.8° | 179.9° |
| O1 | C5 | C7 | C8 | 178.8° | 179.9° |
| O1 | C5 | C7 | O2 | 3.1° | 0.0° |
| O1 | C5 | C4 | H41 | 1.1° | 0.0° |
| C5 | O1 | C6 | H63 | 180.0° | 60.1° |
| C5 | O1 | C6 | H62 | 60.0° | 60.0° |
| C5 | O1 | C6 | H61 | 60.0° | 179.9° |
| O1 | C6 | H63 | H62 | 120.0° | 120.1° |
| O1 | C6 | H63 | H61 | 120.0° | 120.0° |
| O1 | C6 | H62 | H61 | 120.0° | 119.9° |
| C7 | C8 | C9 | H81 | 180.0° | 179.9° |
| O2 | C7 | C8 | C9 | 178.9° | 180.0° |
| C7 | O2 | C10 | H102 | 180.0° | 180.0° |
| C7 | O2 | C10 | H101 | 60.0° | 60.0° |
| C7 | O2 | C10 | H103 | 60.0° | 60.1° |
| O2 | C7 | C8 | H81 | 1.1° | 0.0° |
| H151 | C15 | C12 | H121 | 21.4° | 25.4° |
| H151 | C15 | C14 | H142 | 15.6° | 156.3° |
| H151 | C15 | C14 | H141 | 111.8° | 25.3° |
| H102 | C10 | H101 | H103 | 120.0° | 120.0° |
| H121 | C12 | C13 | H132 | 24.1° | 25.6° |
| H121 | C12 | C13 | H131 | 151.8° | 105.3° |
| H132 | C13 | C14 | H142 | 18.6° | 156.4° |
| H132 | C13 | C14 | H141 | 108.8° | 25.4° |
| H131 | C13 | C14 | H142 | 146.3° | 25.5° |
| H131 | C13 | C14 | H141 | 18.9° | 105.4° |
| H63 | C6 | H62 | H61 | 120.0° | 120.0° |
