AFB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OC7 | C7 | sing | 1.42Å | 1.41Å | |
| OC7 | HO7 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | C6 | sing | 1.52Å | 1.55Å | |
| C7 | HC7 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.55Å | 1.57Å | |
| C8 | H81 | sing | 1.10Å | 1.12Å | |
| C8 | H82 | sing | 1.10Å | 1.12Å | |
| C6 | C5 | sing | 1.54Å | 1.58Å | |
| C6 | H61 | sing | 1.10Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C5 | C9 | sing | 1.55Å | 1.53Å | |
| C5 | C4 | sing | 1.54Å | 1.56Å | |
| C5 | H5 | sing | 1.10Å | 1.11Å | |
| C9 | C10 | sing | 1.51Å | 1.54Å | |
| C9 | H9 | sing | 1.10Å | 1.11Å | |
| C10 | C11 | doub | 1.34Å | 1.40Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.50Å | 1.47Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.58Å | |
| C12 | H121 | sing | 1.10Å | 1.12Å | |
| C12 | H122 | sing | 1.10Å | 1.11Å | |
| C13 | C14 | sing | 1.54Å | 1.54Å | |
| C13 | H131 | sing | 1.10Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.54Å | 1.58Å | |
| C14 | H141 | sing | 1.10Å | 1.11Å | |
| C14 | H142 | sing | 1.10Å | 1.12Å | |
| C15 | C16 | sing | 1.52Å | 1.56Å | |
| C15 | O16 | sing | 1.44Å | 1.43Å | |
| C15 | H15 | sing | 1.10Å | 1.11Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C16 | H163 | sing | 1.09Å | 1.12Å | |
| O16 | C1 | sing | 1.36Å | 1.35Å | |
| C1 | OC1 | doub | 1.22Å | 1.23Å | |
| C1 | C2 | sing | 1.47Å | 1.42Å | |
| C2 | C3 | doub | 1.34Å | 1.38Å | |
| C2 | H21 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.50Å | 1.56Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | OC4 | sing | 1.43Å | 1.45Å | |
| C4 | HC4 | sing | 1.10Å | 1.11Å | |
| OC4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | OC7 | HO7 | 110.8° | 106.7° |
| OC7 | C7 | C8 | 110.8° | 110.8° |
| OC7 | C7 | C6 | 110.2° | 111.0° |
| OC7 | C7 | HC7 | 106.2° | 107.3° |
| C8 | C7 | C6 | 102.9° | 104.3° |
| C8 | C7 | HC7 | 113.1° | 111.8° |
| C7 | C8 | C9 | 99.3° | 106.3° |
| C7 | C8 | H81 | 116.2° | 112.0° |
| C7 | C8 | H82 | 116.1° | 109.3° |
| C6 | C7 | HC7 | 113.7° | 111.7° |
| C7 | C6 | C5 | 104.2° | 103.2° |
| C7 | C6 | H61 | 114.2° | 110.3° |
| C7 | C6 | H62 | 114.2° | 112.3° |
| C9 | C8 | H81 | 116.1° | 113.1° |
| C9 | C8 | H82 | 116.1° | 108.4° |
| C8 | C9 | C5 | 105.2° | 105.7° |
| C8 | C9 | C10 | 109.6° | 111.2° |
| C8 | C9 | H9 | 112.5° | 107.6° |
| H81 | C8 | H82 | 94.3° | 107.7° |
| C5 | C6 | H61 | 114.2° | 110.6° |
| C5 | C6 | H62 | 114.2° | 111.3° |
| C6 | C5 | C9 | 104.0° | 103.6° |
| C6 | C5 | C4 | 109.0° | 112.0° |
| C6 | C5 | H5 | 112.6° | 107.5° |
| H61 | C6 | H62 | 96.3° | 109.0° |
| C9 | C5 | C4 | 107.4° | 115.0° |
| C9 | C5 | H5 | 114.0° | 110.3° |
| C5 | C9 | C10 | 110.4° | 113.2° |
| C5 | C9 | H9 | 111.7° | 109.4° |
| C4 | C5 | H5 | 109.5° | 108.3° |
| C5 | C4 | C3 | 106.9° | 111.8° |
| C5 | C4 | OC4 | 109.3° | 108.7° |
| C5 | C4 | HC4 | 111.4° | 109.7° |
| C10 | C9 | H9 | 107.5° | 109.5° |
| C9 | C10 | C11 | 120.9° | 124.1° |
| C9 | C10 | H101 | 124.3° | 116.8° |
| C11 | C10 | H101 | 114.7° | 119.1° |
| C10 | C11 | C12 | 120.1° | 123.9° |
| C10 | C11 | H111 | 117.6° | 119.3° |
| C12 | C11 | H111 | 122.3° | 116.8° |
| C11 | C12 | C13 | 112.3° | 113.4° |
| C11 | C12 | H121 | 111.2° | 108.9° |
| C11 | C12 | H122 | 111.2° | 109.8° |
| C13 | C12 | H121 | 111.1° | 110.0° |
| C13 | C12 | H122 | 111.2° | 108.2° |
| C12 | C13 | C14 | 112.5° | 114.2° |
| C12 | C13 | H131 | 111.1° | 107.6° |
| C12 | C13 | H132 | 111.1° | 109.7° |
| H121 | C12 | H122 | 99.1° | 106.3° |
| C14 | C13 | H131 | 111.1° | 107.6° |
| C14 | C13 | H132 | 111.1° | 111.7° |
| C13 | C14 | C15 | 110.3° | 113.0° |
| C13 | C14 | H141 | 111.9° | 110.3° |
| C13 | C14 | H142 | 111.9° | 108.2° |
| H131 | C13 | H132 | 99.2° | 105.6° |
| C15 | C14 | H141 | 111.9° | 109.4° |
| C15 | C14 | H142 | 111.9° | 109.1° |
| C14 | C15 | C16 | 103.0° | 111.0° |
| C14 | C15 | O16 | 100.6° | 107.8° |
| C14 | C15 | H15 | 116.9° | 110.2° |
| H141 | C14 | H142 | 98.5° | 106.7° |
| C16 | C15 | O16 | 103.9° | 107.2° |
| C16 | C15 | H15 | 114.1° | 108.9° |
| C15 | C16 | H161 | 103.1° | 110.6° |
| C15 | C16 | H162 | 114.7° | 110.5° |
| C15 | C16 | H163 | 114.6° | 110.6° |
| O16 | C15 | H15 | 116.2° | 111.7° |
| C15 | O16 | C1 | 117.5° | 118.5° |
| H161 | C16 | H162 | 114.7° | 108.3° |
| H161 | C16 | H163 | 114.7° | 108.4° |
| H162 | C16 | H163 | 95.7° | 108.4° |
| O16 | C1 | OC1 | 118.8° | 128.1° |
| O16 | C1 | C2 | 118.7° | 106.3° |
| OC1 | C1 | C2 | 122.3° | 125.5° |
| C1 | C2 | C3 | 116.4° | 118.0° |
| C1 | C2 | H21 | 123.0° | 119.2° |
| C3 | C2 | H21 | 120.6° | 122.3° |
| C2 | C3 | C4 | 124.6° | 122.9° |
| C2 | C3 | H31 | 111.2° | 120.3° |
| C4 | C3 | H31 | 124.2° | 116.7° |
| C3 | C4 | OC4 | 110.1° | 108.3° |
| C3 | C4 | HC4 | 110.8° | 111.0° |
| OC4 | C4 | HC4 | 108.3° | 107.2° |
| C4 | OC4 | HO4 | 109.3° | 106.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OC7 | C7 | C8 | C6 | 117.7° | 119.4° |
| OC7 | C7 | C8 | HC7 | 119.2° | 119.7° |
| OC7 | C7 | C6 | HC7 | 119.1° | 119.8° |
| OC7 | C7 | C8 | C9 | 166.2° | 93.3° |
| OC7 | C7 | C8 | H81 | 68.5° | 30.7° |
| OC7 | C7 | C8 | H82 | 41.0° | 149.9° |
| OC7 | C7 | C6 | C5 | 155.1° | 79.0° |
| OC7 | C7 | C6 | H61 | 29.9° | 162.8° |
| OC7 | C7 | C6 | H62 | 79.7° | 41.0° |
| HO7 | OC7 | C7 | C8 | 180.0° | 86.0° |
| HO7 | OC7 | C7 | C6 | 66.9° | 158.7° |
| HO7 | OC7 | C7 | HC7 | 56.7° | 36.4° |
| C8 | C7 | C6 | HC7 | 122.7° | 120.9° |
| C7 | C8 | C9 | H81 | 125.3° | 123.3° |
| C7 | C8 | C9 | H82 | 125.3° | 117.4° |
| C7 | C8 | H81 | H82 | 121.9° | 120.2° |
| C8 | C7 | C6 | C5 | 37.0° | 40.3° |
| C8 | C7 | C6 | H61 | 88.3° | 77.9° |
| C8 | C7 | C6 | H62 | 162.2° | 160.3° |
| C7 | C8 | C9 | C5 | 43.2° | 2.1° |
| C7 | C8 | C9 | C10 | 161.9° | 121.2° |
| C7 | C8 | C9 | H9 | 78.6° | 118.9° |
| C6 | C7 | C8 | C9 | 48.6° | 26.1° |
| C6 | C7 | C8 | H81 | 173.8° | 150.1° |
| C6 | C7 | C8 | H82 | 76.7° | 90.6° |
| C7 | C6 | C5 | H61 | 125.2° | 118.0° |
| C7 | C6 | C5 | H62 | 125.3° | 120.6° |
| C7 | C6 | H61 | H62 | 120.1° | 123.7° |
| C7 | C6 | C5 | C9 | 9.3° | 38.7° |
| C7 | C6 | C5 | C4 | 105.1° | 163.2° |
| C7 | C6 | C5 | H5 | 133.3° | 78.0° |
| HC7 | C7 | C8 | C9 | 74.6° | 147.0° |
| HC7 | C7 | C8 | H81 | 50.7° | 89.0° |
| HC7 | C7 | C8 | H82 | 160.2° | 30.3° |
| HC7 | C7 | C6 | C5 | 85.8° | 161.3° |
| HC7 | C7 | C6 | H61 | 149.0° | 43.0° |
| HC7 | C7 | C6 | H62 | 39.5° | 78.8° |
| C9 | C8 | H81 | H82 | 121.9° | 119.7° |
| C8 | C9 | C5 | C6 | 20.4° | 22.4° |
| C8 | C9 | C5 | C10 | 118.1° | 122.0° |
| C8 | C9 | C5 | H9 | 122.4° | 115.6° |
| C8 | C9 | C5 | C4 | 136.0° | 145.0° |
| C8 | C9 | C5 | H5 | 102.6° | 92.3° |
| C8 | C9 | C10 | H9 | 122.5° | 118.8° |
| C8 | C9 | C10 | C11 | 117.3° | 114.2° |
| C8 | C9 | C10 | H101 | 62.6° | 64.9° |
| H81 | C8 | C9 | C5 | 168.5° | 125.3° |
| H81 | C8 | C9 | C10 | 72.8° | 2.1° |
| H81 | C8 | C9 | H9 | 46.6° | 117.9° |
| H82 | C8 | C9 | C5 | 82.1° | 115.4° |
| H82 | C8 | C9 | C10 | 36.6° | 121.4° |
| H82 | C8 | C9 | H9 | 156.1° | 1.4° |
| C5 | C6 | H61 | H62 | 120.1° | 122.7° |
| C6 | C5 | C9 | C4 | 115.5° | 122.6° |
| C6 | C5 | C9 | H5 | 123.0° | 114.8° |
| C6 | C5 | C4 | H5 | 123.5° | 118.3° |
| C6 | C5 | C9 | C10 | 138.6° | 144.4° |
| C6 | C5 | C9 | H9 | 101.9° | 93.2° |
| C6 | C5 | C4 | C3 | 170.4° | 178.7° |
| C6 | C5 | C4 | OC4 | 70.5° | 59.2° |
| C6 | C5 | C4 | HC4 | 49.2° | 57.6° |
| H61 | C6 | C5 | C9 | 115.9° | 79.3° |
| H61 | C6 | C5 | C4 | 129.7° | 45.2° |
| H61 | C6 | C5 | H5 | 8.1° | 164.0° |
| H62 | C6 | C5 | C9 | 134.6° | 159.3° |
| H62 | C6 | C5 | C4 | 20.2° | 76.2° |
| H62 | C6 | C5 | H5 | 101.5° | 42.6° |
| C9 | C5 | C4 | H5 | 124.3° | 123.8° |
| C5 | C9 | C10 | H9 | 122.0° | 122.3° |
| C5 | C9 | C10 | C11 | 127.2° | 126.9° |
| C5 | C9 | C10 | H101 | 52.8° | 54.0° |
| C9 | C5 | C4 | C3 | 58.2° | 63.3° |
| C9 | C5 | C4 | OC4 | 177.3° | 177.1° |
| C9 | C5 | C4 | HC4 | 62.9° | 60.3° |
| C4 | C5 | C9 | C10 | 105.9° | 93.0° |
| C4 | C5 | C9 | H9 | 13.6° | 29.4° |
| C5 | C4 | C3 | C2 | 124.2° | 110.7° |
| C5 | C4 | C3 | OC4 | 118.6° | 119.8° |
| C5 | C4 | C3 | HC4 | 121.6° | 122.8° |
| C5 | C4 | C3 | H31 | 55.7° | 65.0° |
| C5 | C4 | OC4 | HC4 | 121.6° | 118.4° |
| C5 | C4 | OC4 | HO4 | 180.0° | 11.6° |
| H5 | C5 | C9 | C10 | 15.6° | 29.7° |
| H5 | C5 | C9 | H9 | 135.1° | 152.1° |
| H5 | C5 | C4 | C3 | 66.1° | 60.4° |
| H5 | C5 | C4 | OC4 | 53.0° | 59.1° |
| H5 | C5 | C4 | HC4 | 172.8° | 176.0° |
| C9 | C10 | C11 | H101 | 180.0° | 179.1° |
| C9 | C10 | C11 | C12 | 178.3° | 178.6° |
| C9 | C10 | C11 | H111 | 1.7° | 0.0° |
| H9 | C9 | C10 | C11 | 5.2° | 4.6° |
| H9 | C9 | C10 | H101 | 174.9° | 176.3° |
| C10 | C11 | C12 | H111 | 180.0° | 178.6° |
| C10 | C11 | C12 | C13 | 110.9° | 114.7° |
| C10 | C11 | C12 | H121 | 123.9° | 122.5° |
| C10 | C11 | C12 | H122 | 14.4° | 6.5° |
| H101 | C10 | C11 | C12 | 1.7° | 0.5° |
| H101 | C10 | C11 | H111 | 178.3° | 179.1° |
| C11 | C12 | C13 | H121 | 125.3° | 122.2° |
| C11 | C12 | C13 | H122 | 125.3° | 122.1° |
| C11 | C12 | H121 | H122 | 117.1° | 118.3° |
| C11 | C12 | C13 | C14 | 59.7° | 72.1° |
| C11 | C12 | C13 | H131 | 175.1° | 168.6° |
| C11 | C12 | C13 | H132 | 65.6° | 54.1° |
| H111 | C11 | C12 | C13 | 69.2° | 66.7° |
| H111 | C11 | C12 | H121 | 56.1° | 56.1° |
| H111 | C11 | C12 | H122 | 165.5° | 172.1° |
| C13 | C12 | H121 | H122 | 117.1° | 116.9° |
| C12 | C13 | C14 | H131 | 125.2° | 119.4° |
| C12 | C13 | C14 | H132 | 125.3° | 125.2° |
| C12 | C13 | H131 | H132 | 117.0° | 117.1° |
| C12 | C13 | C14 | C15 | 132.9° | 127.2° |
| C12 | C13 | C14 | H141 | 7.7° | 4.4° |
| C12 | C13 | C14 | H142 | 101.8° | 111.9° |
| H121 | C12 | C13 | C14 | 65.6° | 50.1° |
| H121 | C12 | C13 | H131 | 59.7° | 69.2° |
| H121 | C12 | C13 | H132 | 169.2° | 176.4° |
| H122 | C12 | C13 | C14 | 175.0° | 165.8° |
| H122 | C12 | C13 | H131 | 49.8° | 46.5° |
| H122 | C12 | C13 | H132 | 59.7° | 67.9° |
| C14 | C13 | H131 | H132 | 117.0° | 119.5° |
| C13 | C14 | C15 | H141 | 125.3° | 123.2° |
| C13 | C14 | C15 | H142 | 125.2° | 120.4° |
| C13 | C14 | H141 | H142 | 117.8° | 117.3° |
| C13 | C14 | C15 | C16 | 173.4° | 173.2° |
| C13 | C14 | C15 | O16 | 79.4° | 69.7° |
| C13 | C14 | C15 | H15 | 47.4° | 52.5° |
| H131 | C13 | C14 | C15 | 101.8° | 113.5° |
| H131 | C13 | C14 | H141 | 132.9° | 123.8° |
| H131 | C13 | C14 | H142 | 23.5° | 7.5° |
| H132 | C13 | C14 | C15 | 7.6° | 2.0° |
| H132 | C13 | C14 | H141 | 117.6° | 120.7° |
| H132 | C13 | C14 | H142 | 132.9° | 123.0° |
| C15 | C14 | H141 | H142 | 117.8° | 117.9° |
| C14 | C15 | C16 | O16 | 104.6° | 117.5° |
| C14 | C15 | C16 | H15 | 127.8° | 121.5° |
| C14 | C15 | O16 | H15 | 127.3° | 121.2° |
| C14 | C15 | C16 | H161 | 180.0° | 75.1° |
| C14 | C15 | C16 | H162 | 54.7° | 164.9° |
| C14 | C15 | C16 | H163 | 54.7° | 44.9° |
| C14 | C15 | O16 | C1 | 147.7° | 110.8° |
| H141 | C14 | C15 | C16 | 61.3° | 63.6° |
| H141 | C14 | C15 | O16 | 45.9° | 53.6° |
| H141 | C14 | C15 | H15 | 172.7° | 175.7° |
| H142 | C14 | C15 | C16 | 48.2° | 52.8° |
| H142 | C14 | C15 | O16 | 155.3° | 169.9° |
| H142 | C14 | C15 | H15 | 77.9° | 68.0° |
| C16 | C15 | O16 | H15 | 126.3° | 119.2° |
| C15 | C16 | H161 | H162 | 125.3° | 121.3° |
| C15 | C16 | H161 | H163 | 125.2° | 121.4° |
| C15 | C16 | H162 | H163 | 120.4° | 121.4° |
| C16 | C15 | O16 | C1 | 105.9° | 129.6° |
| O16 | C15 | C16 | H161 | 75.4° | 167.3° |
| O16 | C15 | C16 | H162 | 49.9° | 47.4° |
| O16 | C15 | C16 | H163 | 159.3° | 72.6° |
| C15 | O16 | C1 | OC1 | 22.8° | 10.0° |
| C15 | O16 | C1 | C2 | 162.6° | 164.8° |
| H15 | C15 | C16 | H161 | 52.2° | 46.3° |
| H15 | C15 | C16 | H162 | 177.5° | 73.6° |
| H15 | C15 | C16 | H163 | 73.1° | 166.4° |
| H15 | C15 | O16 | C1 | 20.4° | 10.4° |
| H161 | C16 | H162 | H163 | 120.6° | 117.4° |
| O16 | C1 | OC1 | C2 | 174.4° | 173.9° |
| O16 | C1 | C2 | C3 | 6.3° | 138.1° |
| O16 | C1 | C2 | H21 | 173.7° | 33.5° |
| OC1 | C1 | C2 | C3 | 179.3° | 36.9° |
| OC1 | C1 | C2 | H21 | 0.7° | 151.5° |
| C1 | C2 | C3 | H21 | 180.0° | 171.3° |
| C1 | C2 | C3 | C4 | 177.0° | 170.8° |
| C1 | C2 | C3 | H31 | 3.0° | 4.8° |
| C2 | C3 | C4 | H31 | 180.0° | 175.8° |
| C2 | C3 | C4 | OC4 | 5.6° | 129.5° |
| C2 | C3 | C4 | HC4 | 114.2° | 12.1° |
| H21 | C2 | C3 | C4 | 3.0° | 0.5° |
| H21 | C2 | C3 | H31 | 177.0° | 176.1° |
| C3 | C4 | OC4 | HC4 | 121.2° | 119.9° |
| C3 | C4 | OC4 | HO4 | 62.8° | 133.3° |
| H31 | C3 | C4 | OC4 | 174.3° | 54.7° |
| H31 | C3 | C4 | HC4 | 65.9° | 172.1° |
| HC4 | C4 | OC4 | HO4 | 58.4° | 106.8° |
