A1MAF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | B12 | sing | 1.42Å | 1.48Å | |
| C15 | C14 | sing | 1.53Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.49Å | |
| C14 | B12 | sing | 1.59Å | 1.66Å | |
| C14 | C16 | sing | 1.54Å | 1.52Å | |
| B12 | O11 | sing | 1.43Å | 1.47Å | |
| C16 | C09 | sing | 1.51Å | 1.48Å | |
| O11 | C10 | sing | 1.36Å | 1.37Å | |
| O01 | C02 | doub | 1.21Å | 1.26Å | |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C04 | sing | 1.41Å | 1.41Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C02 | sing | 1.47Å | 1.50Å | |
| C04 | C05 | doub | 1.40Å | 1.38Å | Aromatic |
| C02 | O03 | sing | 1.35Å | 1.23Å | |
| C07 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | F06 | sing | 1.35Å | 1.36Å | |
| C07 | H1 | sing | 1.08Å | 1.08Å | |
| C08 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| O03 | H5 | sing | 0.97Å | 0.95Å | |
| O13 | H6 | sing | 0.97Å | 0.95Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | B12 | C14 | 113.2° | 122.7° |
| O13 | B12 | O11 | 105.0° | 122.7° |
| B12 | O13 | H6 | 109.5° | 114.0° |
| C14 | C15 | C16 | 61.3° | 60.7° |
| C15 | C14 | B12 | 113.8° | 115.7° |
| C15 | C14 | C16 | 59.0° | 59.5° |
| C14 | C15 | H3 | 119.8° | 117.5° |
| C14 | C15 | H4 | 119.8° | 117.5° |
| C15 | C14 | H7 | 119.4° | 120.2° |
| C15 | C16 | C14 | 59.6° | 59.8° |
| C15 | C16 | C09 | 120.4° | 117.9° |
| C16 | C15 | H3 | 119.8° | 117.4° |
| C16 | C15 | H4 | 119.8° | 117.5° |
| C15 | C16 | H8 | 115.4° | 118.1° |
| B12 | C14 | C16 | 117.3° | 112.4° |
| C14 | B12 | O11 | 111.6° | 114.6° |
| B12 | C14 | H7 | 116.2° | 116.8° |
| C14 | C16 | C09 | 119.7° | 114.7° |
| C16 | C14 | H7 | 118.9° | 119.6° |
| C14 | C16 | H8 | 114.8° | 118.2° |
| B12 | O11 | C10 | 126.9° | 112.9° |
| C16 | C09 | C10 | 120.0° | 121.1° |
| C16 | C09 | C08 | 120.8° | 118.8° |
| C09 | C16 | H8 | 115.5° | 116.3° |
| O11 | C10 | C09 | 124.2° | 122.1° |
| O11 | C10 | C04 | 115.9° | 118.4° |
| O01 | C02 | C04 | 118.3° | 120.0° |
| O01 | C02 | O03 | 124.0° | 120.0° |
| C10 | C09 | C08 | 119.2° | 120.0° |
| C09 | C10 | C04 | 119.9° | 119.5° |
| C09 | C08 | C07 | 121.1° | 120.7° |
| C09 | C08 | H2 | 119.4° | 119.6° |
| C10 | C04 | C02 | 123.0° | 120.1° |
| C10 | C04 | C05 | 119.9° | 119.8° |
| C08 | C07 | C05 | 119.5° | 120.1° |
| C08 | C07 | H1 | 120.3° | 120.0° |
| C07 | C08 | H2 | 119.5° | 119.7° |
| C02 | C04 | C05 | 117.1° | 120.1° |
| C04 | C02 | O03 | 117.7° | 120.0° |
| C04 | C05 | C07 | 120.4° | 119.8° |
| C04 | C05 | F06 | 118.4° | 120.1° |
| C02 | O03 | H5 | 109.5° | 117.0° |
| C07 | C05 | F06 | 121.1° | 120.1° |
| C05 | C07 | H1 | 120.2° | 119.9° |
| H3 | C15 | H4 | 109.5° | 115.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | B12 | C14 | C15 | 45.9° | 148.1° |
| O13 | B12 | C14 | O11 | 118.2° | 179.8° |
| O13 | B12 | C14 | C16 | 112.0° | 146.1° |
| O13 | B12 | O11 | C10 | 120.6° | 125.0° |
| O13 | B12 | C14 | H7 | 98.8° | 2.3° |
| C14 | C15 | C16 | H3 | 109.9° | 107.7° |
| C14 | C15 | C16 | H4 | 109.8° | 107.7° |
| C15 | C14 | B12 | C16 | 66.1° | 65.8° |
| C15 | C14 | B12 | H7 | 144.7° | 150.4° |
| C15 | C14 | C16 | H7 | 108.9° | 109.7° |
| C15 | C14 | B12 | O11 | 72.3° | 31.6° |
| C14 | C15 | C16 | C09 | 108.8° | 103.8° |
| C14 | C15 | H3 | H4 | 144.0° | 145.4° |
| C14 | C15 | C16 | H8 | 105.1° | 108.0° |
| C15 | C16 | C09 | H8 | 146.2° | 148.7° |
| C15 | C16 | C09 | C10 | 66.2° | 48.6° |
| C15 | C16 | C09 | C08 | 115.6° | 131.7° |
| C16 | C15 | H3 | H4 | 144.0° | 145.3° |
| B12 | C14 | C16 | H7 | 148.4° | 142.7° |
| B12 | C14 | C16 | C09 | 7.1° | 1.6° |
| C14 | B12 | O11 | C10 | 2.4° | 55.2° |
| B12 | C14 | C15 | H3 | 141.5° | 150.4° |
| B12 | C14 | C15 | H4 | 1.2° | 5.8° |
| C14 | B12 | O13 | H6 | 122.0° | 179.7° |
| B12 | C14 | C16 | H8 | 151.1° | 144.6° |
| C16 | C14 | B12 | O11 | 6.2° | 34.1° |
| C14 | C16 | C09 | H8 | 143.8° | 143.8° |
| C14 | C16 | C09 | C10 | 3.9° | 18.9° |
| C14 | C16 | C09 | C08 | 174.3° | 160.8° |
| B12 | O11 | C10 | C09 | 1.0° | 39.1° |
| B12 | O11 | C10 | C04 | 179.1° | 141.2° |
| O11 | B12 | O13 | H6 | 0.0° | 0.0° |
| O11 | B12 | C14 | H7 | 143.0° | 178.0° |
| C16 | C09 | C10 | O11 | 0.4° | 1.0° |
| C16 | C09 | C10 | C08 | 178.2° | 179.7° |
| C16 | C09 | C10 | C04 | 179.6° | 179.3° |
| C16 | C09 | C08 | C07 | 179.4° | 179.4° |
| C16 | C09 | C08 | H2 | 0.6° | 0.6° |
| C09 | C16 | C15 | H3 | 141.4° | 148.4° |
| C09 | C16 | C15 | H4 | 1.0° | 3.9° |
| C09 | C16 | C14 | H7 | 141.3° | 141.1° |
| O11 | C10 | C09 | C04 | 179.9° | 179.6° |
| O11 | C10 | C09 | C08 | 178.6° | 179.3° |
| O11 | C10 | C04 | C02 | 2.9° | 0.6° |
| O11 | C10 | C04 | C05 | 179.8° | 179.4° |
| O01 | C02 | C04 | C10 | 109.5° | 90.0° |
| O01 | C02 | C04 | O03 | 177.2° | 180.0° |
| O01 | C02 | C04 | C05 | 67.9° | 90.0° |
| O01 | C02 | O03 | H5 | 0.0° | 0.0° |
| C10 | C09 | C08 | C07 | 1.2° | 0.3° |
| C09 | C10 | C04 | C02 | 177.0° | 179.7° |
| C09 | C10 | C04 | C05 | 0.3° | 0.2° |
| C10 | C09 | C08 | H2 | 178.8° | 179.7° |
| C10 | C09 | C16 | H8 | 147.7° | 162.7° |
| C08 | C09 | C10 | C04 | 1.4° | 0.4° |
| C09 | C08 | C07 | H2 | 180.0° | 180.0° |
| C09 | C08 | C07 | C05 | 0.3° | 0.0° |
| C09 | C08 | C07 | H1 | 179.7° | 180.0° |
| C08 | C09 | C16 | H8 | 30.5° | 17.0° |
| C10 | C04 | C02 | C05 | 177.4° | 179.9° |
| C10 | C04 | C02 | O03 | 73.3° | 90.0° |
| C10 | C04 | C05 | C07 | 1.2° | 0.0° |
| C10 | C04 | C05 | F06 | 179.8° | 180.0° |
| C08 | C07 | C05 | C04 | 1.4° | 0.1° |
| C08 | C07 | C05 | H1 | 180.0° | 180.0° |
| C08 | C07 | C05 | F06 | 180.0° | 179.9° |
| C02 | C04 | C05 | C07 | 178.6° | 180.0° |
| C02 | C04 | C05 | F06 | 2.8° | 0.0° |
| C04 | C02 | O03 | H5 | 177.0° | 180.0° |
| C05 | C04 | C02 | O03 | 109.3° | 90.0° |
| C04 | C05 | C07 | F06 | 178.5° | 180.0° |
| C04 | C05 | C07 | H1 | 178.5° | 179.9° |
| C05 | C07 | C08 | H2 | 179.7° | 180.0° |
| F06 | C05 | C07 | H1 | 0.0° | 0.1° |
| H1 | C07 | C08 | H2 | 0.3° | 0.1° |
| H3 | C15 | C14 | H7 | 1.9° | 1.1° |
| H3 | C15 | C16 | H8 | 4.8° | 0.3° |
| H4 | C15 | C14 | H7 | 142.2° | 143.6° |
| H4 | C15 | C16 | H8 | 145.1° | 144.3° |
| H7 | C14 | C16 | H8 | 2.8° | 1.9° |






