AFN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8A | C9 | sing | 1.54Å | 1.54Å | |
| C8A | O7 | sing | 1.44Å | 1.42Å | |
| C8A | H8A2 | sing | 1.09Å | 1.12Å | |
| C8A | H8A | sing | 1.09Å | 1.09Å | |
| C9 | O9 | sing | 1.43Å | 1.41Å | |
| C9 | C9A | sing | 1.56Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.07Å | |
| O9 | HO9 | sing | 0.97Å | 0.96Å | |
| C9A | C9B | sing | 1.51Å | 1.49Å | |
| C9A | C6A | sing | 1.56Å | 1.54Å | |
| C9A | H9A | sing | 1.09Å | 1.09Å | |
| C9B | C5A | doub | 1.39Å | 1.35Å | Aromatic |
| C9B | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| O7 | C6A | sing | 1.44Å | 1.43Å | |
| C6A | O6A | sing | 1.44Å | 1.43Å | |
| C6A | H6A | sing | 1.09Å | 1.09Å | |
| O6A | C5A | sing | 1.36Å | 1.37Å | |
| C5A | C5B | sing | 1.40Å | 1.39Å | Aromatic |
| C5B | C4B | doub | 1.38Å | 1.40Å | Aromatic |
| C5B | H5B | sing | 1.08Å | 1.07Å | |
| C4B | O4 | sing | 1.36Å | 1.34Å | |
| C4B | C4A | sing | 1.40Å | 1.43Å | Aromatic |
| O4 | CM | sing | 1.43Å | 1.41Å | |
| CM | HM1 | sing | 1.09Å | 1.09Å | |
| CM | HM2 | sing | 1.09Å | 1.09Å | |
| CM | HM3 | sing | 1.09Å | 1.09Å | |
| C4A | C10 | doub | 1.42Å | 1.39Å | Aromatic |
| C4A | C3A | sing | 1.41Å | 1.39Å | Aromatic |
| C10 | O10 | sing | 1.36Å | 1.38Å | Aromatic |
| O10 | C11 | sing | 1.36Å | 1.41Å | Aromatic |
| C11 | O11 | doub | 1.22Å | 1.23Å | |
| C11 | C12 | sing | 1.48Å | 1.43Å | Aromatic |
| C12 | C3A | doub | 1.40Å | 1.37Å | Aromatic |
| C12 | C1 | sing | 1.45Å | 1.43Å | |
| C3A | C3 | sing | 1.49Å | 1.50Å | |
| C3 | C2A | sing | 1.54Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.09Å | |
| C3 | H32 | sing | 1.09Å | 1.09Å | |
| C2A | C1 | sing | 1.51Å | 1.53Å | |
| C2A | H2A1 | sing | 1.09Å | 1.09Å | |
| C2A | H2A2 | sing | 1.09Å | 1.09Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8A | O7 | 100.9° | 104.8° |
| C9 | C8A | H8A2 | 115.5° | 110.4° |
| C9 | C8A | H8A | 109.4° | 110.3° |
| C8A | C9 | O9 | 110.5° | 110.5° |
| C8A | C9 | C9A | 104.5° | 104.4° |
| C8A | C9 | H9 | 112.8° | 110.4° |
| O7 | C8A | H8A2 | 115.5° | 110.4° |
| O7 | C8A | H8A | 112.6° | 110.3° |
| C8A | O7 | C6A | 109.9° | 105.3° |
| H8A2 | C8A | H8A | 103.3° | 110.4° |
| O9 | C9 | C9A | 109.1° | 110.6° |
| O9 | C9 | H9 | 108.9° | 110.5° |
| C9 | O9 | HO9 | 107.9° | 106.8° |
| C9A | C9 | H9 | 110.9° | 110.3° |
| C9 | C9A | C9B | 114.5° | 109.8° |
| C9 | C9A | C6A | 101.0° | 102.9° |
| C9 | C9A | H9A | 112.9° | 113.2° |
| C9B | C9A | C6A | 102.5° | 102.0° |
| C9B | C9A | H9A | 111.5° | 113.9° |
| C9A | C9B | C5A | 107.8° | 107.2° |
| C9A | C9B | C10 | 128.7° | 131.7° |
| C6A | C9A | H9A | 113.7° | 114.0° |
| C9A | C6A | O7 | 107.7° | 105.2° |
| C9A | C6A | O6A | 106.8° | 102.6° |
| C9A | C6A | H6A | 111.9° | 113.4° |
| C5A | C9B | C10 | 122.7° | 121.1° |
| C9B | C5A | O6A | 114.6° | 111.2° |
| C9B | C5A | C5B | 119.8° | 119.7° |
| C9B | C10 | C4A | 120.1° | 119.0° |
| C9B | C10 | O10 | 119.5° | 120.2° |
| O7 | C6A | O6A | 109.9° | 108.6° |
| O7 | C6A | H6A | 109.9° | 113.1° |
| O6A | C6A | H6A | 110.6° | 113.2° |
| C6A | O6A | C5A | 107.0° | 109.7° |
| O6A | C5A | C5B | 125.1° | 129.1° |
| C5A | C5B | C4B | 119.0° | 120.5° |
| C5A | C5B | H5B | 120.7° | 119.7° |
| C4B | C5B | H5B | 120.2° | 119.7° |
| C5B | C4B | O4 | 118.1° | 120.2° |
| C5B | C4B | C4A | 120.7° | 119.7° |
| O4 | C4B | C4A | 121.2° | 120.1° |
| C4B | O4 | CM | 118.9° | 106.8° |
| C4B | C4A | C10 | 117.7° | 119.9° |
| C4B | C4A | C3A | 123.7° | 122.3° |
| O4 | CM | HM1 | 109.6° | 109.5° |
| O4 | CM | HM2 | 109.1° | 109.5° |
| O4 | CM | HM3 | 109.9° | 109.5° |
| HM1 | CM | HM2 | 109.7° | 109.5° |
| HM1 | CM | HM3 | 109.4° | 109.5° |
| HM2 | CM | HM3 | 109.1° | 109.4° |
| C10 | C4A | C3A | 118.5° | 117.8° |
| C4A | C10 | O10 | 120.3° | 120.8° |
| C4A | C3A | C12 | 121.8° | 119.8° |
| C4A | C3A | C3 | 127.4° | 130.7° |
| C10 | O10 | C11 | 122.8° | 120.3° |
| O10 | C11 | O11 | 116.9° | 122.5° |
| O10 | C11 | C12 | 115.8° | 115.1° |
| O11 | C11 | C12 | 127.3° | 122.4° |
| C11 | C12 | C3A | 120.8° | 119.1° |
| C11 | C12 | C1 | 127.1° | 129.7° |
| C3A | C12 | C1 | 112.1° | 111.2° |
| C12 | C3A | C3 | 110.7° | 109.6° |
| C12 | C1 | C2A | 106.5° | 108.0° |
| C12 | C1 | O1 | 131.3° | 126.0° |
| C3A | C3 | C2A | 104.3° | 106.0° |
| C3A | C3 | H31 | 111.3° | 110.2° |
| C3A | C3 | H32 | 110.4° | 110.1° |
| C2A | C3 | H31 | 109.9° | 110.2° |
| C2A | C3 | H32 | 110.0° | 110.2° |
| C3 | C2A | C1 | 106.2° | 105.2° |
| C3 | C2A | H2A1 | 109.1° | 110.3° |
| C3 | C2A | H2A2 | 110.8° | 110.3° |
| H31 | C3 | H32 | 110.8° | 110.1° |
| C1 | C2A | H2A1 | 110.7° | 110.4° |
| C1 | C2A | H2A2 | 110.1° | 110.3° |
| C2A | C1 | O1 | 122.3° | 126.0° |
| H2A1 | C2A | H2A2 | 109.9° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8A | O7 | H8A2 | 125.2° | 118.9° |
| C9 | C8A | O7 | H8A | 116.5° | 118.8° |
| C9 | C8A | H8A2 | H8A | 119.3° | 122.3° |
| C8A | C9 | O9 | C9A | 114.4° | 115.1° |
| C8A | C9 | O9 | H9 | 124.5° | 122.5° |
| C8A | C9 | C9A | H9 | 121.9° | 118.7° |
| C8A | C9 | O9 | HO9 | 27.7° | 61.5° |
| C8A | C9 | C9A | C9B | 78.7° | 107.9° |
| C8A | C9 | C9A | C6A | 30.6° | 0.0° |
| C8A | C9 | C9A | H9A | 152.4° | 123.6° |
| C9 | C8A | O7 | C6A | 34.2° | 40.9° |
| O7 | C8A | H8A2 | H8A | 123.4° | 122.3° |
| O7 | C8A | C9 | O9 | 77.0° | 94.7° |
| O7 | C8A | C9 | C9A | 40.2° | 24.2° |
| O7 | C8A | C9 | H9 | 160.8° | 142.8° |
| C8A | O7 | C6A | C9A | 15.5° | 41.0° |
| C8A | O7 | C6A | O6A | 100.4° | 68.2° |
| C8A | O7 | C6A | H6A | 137.7° | 165.3° |
| H8A2 | C8A | C9 | O9 | 157.8° | 146.3° |
| H8A2 | C8A | C9 | C9A | 85.0° | 94.8° |
| H8A2 | C8A | C9 | H9 | 35.6° | 23.8° |
| H8A2 | C8A | O7 | C6A | 91.1° | 78.0° |
| H8A | C8A | C9 | O9 | 41.8° | 24.1° |
| H8A | C8A | C9 | C9A | 159.1° | 143.0° |
| H8A | C8A | C9 | H9 | 80.4° | 98.4° |
| H8A | C8A | O7 | C6A | 150.7° | 159.7° |
| O9 | C9 | C9A | H9 | 119.9° | 122.5° |
| O9 | C9 | C9A | C9B | 163.1° | 133.2° |
| O9 | C9 | C9A | C6A | 87.6° | 118.8° |
| O9 | C9 | C9A | H9A | 34.2° | 4.7° |
| C9A | C9 | O9 | HO9 | 142.1° | 176.5° |
| C9 | C9A | C9B | C6A | 108.4° | 108.6° |
| C9 | C9A | C9B | H9A | 129.6° | 128.1° |
| C9 | C9A | C6A | H9A | 121.2° | 123.0° |
| C9 | C9A | C9B | C5A | 113.7° | 93.9° |
| C9 | C9A | C9B | C10 | 56.0° | 86.0° |
| C9 | C9A | C6A | O7 | 10.6° | 24.1° |
| C9 | C9A | C6A | O6A | 128.5° | 89.4° |
| C9 | C9A | C6A | H6A | 110.3° | 148.2° |
| H9 | C9 | O9 | HO9 | 96.8° | 61.0° |
| H9 | C9 | C9A | C9B | 43.1° | 10.7° |
| H9 | C9 | C9A | C6A | 152.4° | 118.7° |
| H9 | C9 | C9A | H9A | 85.8° | 117.8° |
| C9B | C9A | C6A | H9A | 120.4° | 123.2° |
| C9A | C9B | C5A | C10 | 170.5° | 179.9° |
| C9B | C9A | C6A | O7 | 107.8° | 138.0° |
| C9B | C9A | C6A | O6A | 10.1° | 24.4° |
| C9B | C9A | C6A | H6A | 131.3° | 98.0° |
| C9A | C9B | C5A | O6A | 1.8° | 1.3° |
| C9A | C9B | C5A | C5B | 170.3° | 178.8° |
| C9A | C9B | C10 | C4A | 165.9° | 179.2° |
| C9A | C9B | C10 | O10 | 10.1° | 1.9° |
| C6A | C9A | C9B | C5A | 5.3° | 14.7° |
| C6A | C9A | C9B | C10 | 164.5° | 165.4° |
| C9A | C6A | O7 | O6A | 116.0° | 109.2° |
| C9A | C6A | O7 | H6A | 122.1° | 124.2° |
| C9A | C6A | O6A | H6A | 122.0° | 122.5° |
| C9A | C6A | O6A | C5A | 11.4° | 27.0° |
| H9A | C9A | C9B | C5A | 116.7° | 138.0° |
| H9A | C9A | C9B | C10 | 73.6° | 42.2° |
| H9A | C9A | C6A | O7 | 131.7° | 98.9° |
| H9A | C9A | C6A | O6A | 110.3° | 147.6° |
| H9A | C9A | C6A | H6A | 10.9° | 25.2° |
| C9B | C5A | O6A | C6A | 8.6° | 18.8° |
| C9B | C5A | O6A | C5B | 171.6° | 180.0° |
| C9B | C5A | C5B | C4B | 1.4° | 1.2° |
| C9B | C5A | C5B | H5B | 177.8° | 178.8° |
| C5A | C9B | C10 | C4A | 2.5° | 0.6° |
| C5A | C9B | C10 | O10 | 178.4° | 178.3° |
| C10 | C9B | C5A | O6A | 172.2° | 178.6° |
| C10 | C9B | C5A | C5B | 0.2° | 1.3° |
| C9B | C10 | C4A | C4B | 3.1° | 2.7° |
| C9B | C10 | C4A | O10 | 175.9° | 178.9° |
| C9B | C10 | C4A | C3A | 175.0° | 176.3° |
| C9B | C10 | O10 | C11 | 176.6° | 155.4° |
| O7 | C6A | O6A | H6A | 121.5° | 126.5° |
| O7 | C6A | O6A | C5A | 105.1° | 138.0° |
| C6A | O6A | C5A | C5B | 162.9° | 161.3° |
| H6A | C6A | O6A | C5A | 133.4° | 95.5° |
| O6A | C5A | C5B | C4B | 169.8° | 178.7° |
| O6A | C5A | C5B | H5B | 6.6° | 1.2° |
| C5A | C5B | C4B | H5B | 176.3° | 180.0° |
| C5A | C5B | C4B | O4 | 179.1° | 179.4° |
| C5A | C5B | C4B | C4A | 0.7° | 0.9° |
| C5B | C4B | O4 | C4A | 179.8° | 179.7° |
| C5B | C4B | O4 | CM | 70.5° | 0.0° |
| C5B | C4B | C4A | C10 | 1.5° | 2.9° |
| C5B | C4B | C4A | C3A | 176.4° | 176.1° |
| H5B | C5B | C4B | O4 | 2.7° | 0.7° |
| H5B | C5B | C4B | C4A | 177.1° | 179.1° |
| C4B | O4 | CM | HM1 | 178.5° | 180.0° |
| C4B | O4 | CM | HM2 | 61.3° | 59.9° |
| C4B | O4 | CM | HM3 | 58.2° | 60.0° |
| O4 | C4B | C4A | C10 | 178.7° | 177.4° |
| O4 | C4B | C4A | C3A | 3.4° | 3.6° |
| C4A | C4B | O4 | CM | 109.7° | 179.7° |
| C4B | C4A | C10 | C3A | 178.0° | 179.0° |
| C4B | C4A | C10 | O10 | 178.9° | 176.2° |
| C4B | C4A | C3A | C12 | 179.8° | 172.3° |
| C4B | C4A | C3A | C3 | 2.2° | 8.6° |
| O4 | CM | HM1 | HM2 | 119.7° | 120.0° |
| O4 | CM | HM1 | HM3 | 120.6° | 120.0° |
| O4 | CM | HM2 | HM3 | 120.1° | 120.0° |
| HM1 | CM | HM2 | HM3 | 119.8° | 120.0° |
| C4A | C10 | O10 | C11 | 0.7° | 25.7° |
| C10 | C4A | C3A | C12 | 1.8° | 6.7° |
| C10 | C4A | C3A | C3 | 175.7° | 172.4° |
| C3A | C4A | C10 | O10 | 0.9° | 4.8° |
| C4A | C3A | C12 | C11 | 1.2° | 1.2° |
| C4A | C3A | C12 | C3 | 177.9° | 179.3° |
| C4A | C3A | C12 | C1 | 179.5° | 178.8° |
| C4A | C3A | C3 | C2A | 179.6° | 178.8° |
| C4A | C3A | C3 | H31 | 61.1° | 59.6° |
| C4A | C3A | C3 | H32 | 62.3° | 62.0° |
| C10 | O10 | C11 | O11 | 179.2° | 147.6° |
| C10 | O10 | C11 | C12 | 1.3° | 32.5° |
| O10 | C11 | O11 | C12 | 179.4° | 179.9° |
| O10 | C11 | C12 | C3A | 0.4° | 20.3° |
| O10 | C11 | C12 | C1 | 177.6° | 159.7° |
| O11 | C11 | C12 | C3A | 179.8° | 159.8° |
| O11 | C11 | C12 | C1 | 1.8° | 20.2° |
| C11 | C12 | C3A | C1 | 178.3° | 180.0° |
| C11 | C12 | C3A | C3 | 176.7° | 179.5° |
| C11 | C12 | C1 | C2A | 178.4° | 179.6° |
| C11 | C12 | C1 | O1 | 0.5° | 0.4° |
| C12 | C3A | C3 | C2A | 2.7° | 0.4° |
| C12 | C3A | C3 | H31 | 121.1° | 119.6° |
| C12 | C3A | C3 | H32 | 115.4° | 118.8° |
| C3A | C12 | C1 | C2A | 0.3° | 0.4° |
| C3A | C12 | C1 | O1 | 178.7° | 179.6° |
| C1 | C12 | C3A | C3 | 1.6° | 0.5° |
| C12 | C1 | C2A | C3 | 1.9° | 0.1° |
| C12 | C1 | C2A | O1 | 179.1° | 180.0° |
| C12 | C1 | C2A | H2A1 | 116.4° | 119.1° |
| C12 | C1 | C2A | H2A2 | 121.9° | 118.7° |
| C3A | C3 | C2A | H31 | 119.4° | 119.2° |
| C3A | C3 | C2A | H32 | 118.4° | 119.1° |
| C3A | C3 | H31 | H32 | 123.2° | 121.7° |
| C3A | C3 | C2A | C1 | 2.7° | 0.1° |
| C3A | C3 | C2A | H2A1 | 116.6° | 118.8° |
| C3A | C3 | C2A | H2A2 | 122.2° | 119.1° |
| C2A | C3 | H31 | H32 | 121.7° | 121.7° |
| C3 | C2A | C1 | H2A1 | 118.3° | 118.9° |
| C3 | C2A | C1 | H2A2 | 120.0° | 118.9° |
| C3 | C2A | H2A1 | H2A2 | 121.7° | 122.0° |
| C3 | C2A | C1 | O1 | 177.1° | 179.9° |
| H31 | C3 | C2A | C1 | 122.1° | 119.3° |
| H31 | C3 | C2A | H2A1 | 2.8° | 0.4° |
| H31 | C3 | C2A | H2A2 | 118.3° | 121.7° |
| H32 | C3 | C2A | C1 | 115.7° | 119.0° |
| H32 | C3 | C2A | H2A1 | 125.0° | 122.0° |
| H32 | C3 | C2A | H2A2 | 3.8° | 0.1° |
| C1 | C2A | H2A1 | H2A2 | 121.8° | 122.2° |
| H2A1 | C2A | C1 | O1 | 64.5° | 61.0° |
| H2A2 | C2A | C1 | O1 | 57.1° | 61.2° |






