A1AFY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O07 | C05 | doub | 1.21Å | 1.25Å | |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| O01 | C02 | sing | 1.43Å | 1.40Å | |
| C05 | O06 | sing | 1.34Å | 1.25Å | |
| C05 | C04 | sing | 1.51Å | 1.56Å | |
| C02 | C04 | sing | 1.53Å | 1.54Å | |
| C02 | C08 | sing | 1.53Å | 1.56Å | |
| C09 | C08 | sing | 1.51Å | 1.51Å | |
| C09 | O10 | doub | 1.21Å | 1.21Å | |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| O01 | H9 | sing | 0.97Å | 0.95Å | |
| O06 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O07 | C05 | O06 | 126.1° | 120.0° |
| O07 | C05 | C04 | 118.5° | 120.0° |
| C03 | C02 | O01 | 105.7° | 109.4° |
| C03 | C02 | C04 | 110.3° | 109.5° |
| C03 | C02 | C08 | 110.5° | 109.5° |
| C02 | C03 | H1 | 109.5° | 109.5° |
| C02 | C03 | H2 | 109.4° | 109.5° |
| C02 | C03 | H3 | 109.4° | 109.5° |
| O01 | C02 | C04 | 114.3° | 109.5° |
| O01 | C02 | C08 | 106.0° | 109.5° |
| C02 | O01 | H9 | 109.5° | 114.0° |
| O06 | C05 | C04 | 115.4° | 120.0° |
| C05 | O06 | H10 | 109.5° | 117.0° |
| C05 | C04 | C02 | 114.0° | 109.5° |
| C05 | C04 | H4 | 108.3° | 109.4° |
| C05 | C04 | H5 | 108.3° | 109.4° |
| C04 | C02 | C08 | 109.8° | 109.5° |
| C02 | C04 | H4 | 108.3° | 109.5° |
| C02 | C04 | H5 | 108.3° | 109.5° |
| C02 | C08 | C09 | 112.6° | 109.5° |
| C02 | C08 | H6 | 108.7° | 109.5° |
| C02 | C08 | H7 | 108.7° | 109.5° |
| C08 | C09 | O10 | 122.5° | 120.0° |
| C09 | C08 | H6 | 108.7° | 109.5° |
| C09 | C08 | H7 | 108.7° | 109.4° |
| C08 | C09 | H8 | 118.8° | 120.0° |
| O10 | C09 | H8 | 118.8° | 120.0° |
| H1 | C03 | H2 | 109.5° | 109.5° |
| H1 | C03 | H3 | 109.5° | 109.5° |
| H2 | C03 | H3 | 109.5° | 109.5° |
| H4 | C04 | H5 | 109.4° | 109.5° |
| H6 | C08 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O07 | C05 | O06 | C04 | 179.8° | 180.0° |
| O07 | C05 | C04 | C02 | 30.5° | 0.0° |
| O07 | C05 | C04 | H4 | 151.2° | 120.0° |
| O07 | C05 | C04 | H5 | 90.2° | 120.0° |
| O07 | C05 | O06 | H10 | 0.0° | 0.1° |
| C03 | C02 | O01 | C04 | 121.5° | 120.0° |
| C03 | C02 | O01 | C08 | 117.3° | 120.0° |
| C03 | C02 | C04 | C05 | 60.5° | 60.0° |
| C03 | C02 | C04 | C08 | 122.1° | 120.0° |
| C03 | C02 | C08 | C09 | 81.6° | 55.0° |
| C02 | C03 | H1 | H2 | 120.0° | 120.0° |
| C02 | C03 | H1 | H3 | 120.0° | 120.0° |
| C02 | C03 | H2 | H3 | 120.0° | 120.0° |
| C03 | C02 | C04 | H4 | 60.2° | 179.9° |
| C03 | C02 | C04 | H5 | 178.8° | 60.0° |
| C03 | C02 | C08 | H6 | 38.8° | 65.0° |
| C03 | C02 | C08 | H7 | 157.9° | 175.0° |
| C03 | C02 | O01 | H9 | 82.5° | 180.0° |
| O01 | C02 | C04 | C05 | 58.5° | 60.0° |
| O01 | C02 | C04 | C08 | 119.0° | 120.0° |
| O01 | C02 | C08 | C09 | 32.5° | 64.9° |
| O01 | C02 | C03 | H1 | 180.0° | 180.0° |
| O01 | C02 | C03 | H2 | 60.0° | 60.0° |
| O01 | C02 | C03 | H3 | 60.0° | 60.0° |
| O01 | C02 | C04 | H4 | 179.2° | 59.9° |
| O01 | C02 | C04 | H5 | 62.2° | 180.0° |
| O01 | C02 | C08 | H6 | 152.9° | 175.0° |
| O01 | C02 | C08 | H7 | 88.0° | 55.0° |
| O06 | C05 | C04 | C02 | 149.6° | 180.0° |
| O06 | C05 | C04 | H4 | 28.9° | 60.0° |
| O06 | C05 | C04 | H5 | 89.7° | 60.0° |
| C05 | C04 | C02 | H4 | 120.7° | 119.9° |
| C05 | C04 | C02 | H5 | 120.7° | 120.0° |
| C05 | C04 | C02 | C08 | 177.5° | 180.0° |
| C05 | C04 | H4 | H5 | 117.9° | 119.9° |
| C04 | C05 | O06 | H10 | 179.8° | 180.0° |
| C04 | C02 | C08 | C09 | 156.4° | 175.0° |
| C04 | C02 | C03 | H1 | 55.9° | 60.0° |
| C04 | C02 | C03 | H2 | 175.9° | 180.0° |
| C04 | C02 | C03 | H3 | 64.1° | 60.0° |
| C02 | C04 | H4 | H5 | 117.9° | 120.1° |
| C04 | C02 | C08 | H6 | 83.1° | 55.0° |
| C04 | C02 | C08 | H7 | 36.0° | 65.0° |
| C04 | C02 | O01 | H9 | 39.0° | 60.0° |
| C02 | C08 | C09 | H6 | 120.5° | 120.0° |
| C02 | C08 | C09 | H7 | 120.5° | 120.0° |
| C02 | C08 | C09 | O10 | 136.1° | 125.0° |
| C08 | C02 | C03 | H1 | 65.7° | 60.0° |
| C08 | C02 | C03 | H2 | 54.3° | 60.0° |
| C08 | C02 | C03 | H3 | 174.3° | 180.0° |
| C08 | C02 | C04 | H4 | 61.8° | 60.1° |
| C08 | C02 | C04 | H5 | 56.8° | 60.0° |
| C02 | C08 | H6 | H7 | 118.6° | 120.0° |
| C02 | C08 | C09 | H8 | 43.9° | 55.0° |
| C08 | C02 | O01 | H9 | 160.2° | 60.1° |
| C08 | C09 | O10 | H8 | 180.0° | 180.0° |
| C09 | C08 | H6 | H7 | 118.6° | 120.0° |
| O10 | C09 | C08 | H6 | 103.5° | 5.0° |
| O10 | C09 | C08 | H7 | 15.6° | 115.0° |
| H1 | C03 | H2 | H3 | 120.0° | 120.0° |
| H6 | C08 | C09 | H8 | 76.5° | 175.0° |
| H7 | C08 | C09 | H8 | 164.4° | 65.0° |
