AC1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | O5 | sing | 1.43Å | 1.43Å | |
| C1 | O1 | sing | 1.43Å | 1.39Å | |
| C1 | H1 | sing | 1.09Å | 1.12Å | |
| O2 | C2 | sing | 1.43Å | 1.41Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C4A | C3B | sing | 1.53Å | 1.52Å | |
| C4A | O4 | sing | 1.43Å | 1.52Å | |
| C4A | C5B | sing | 1.50Å | 1.47Å | |
| C4A | HC4 | sing | 1.09Å | 1.11Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | N4A | sing | 1.47Å | 1.45Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| N4A | C1B | sing | 1.47Å | 1.46Å | |
| N4A | HN4 | sing | 1.01Å | 1.02Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C6 | H63 | sing | 1.09Å | 1.11Å | |
| C1B | C2B | sing | 1.53Å | 1.53Å | |
| C1B | C7B | sing | 1.50Å | 1.51Å | |
| C1B | HCB1 | sing | 1.09Å | 1.11Å | |
| C2B | O2B | sing | 1.43Å | 1.41Å | |
| C2B | C3B | sing | 1.53Å | 1.52Å | |
| C2B | HCB2 | sing | 1.09Å | 1.11Å | |
| O2B | HO2B | sing | 0.97Å | 0.95Å | |
| C3B | O3B | sing | 1.43Å | 1.42Å | |
| C3B | HCB3 | sing | 1.09Å | 1.12Å | |
| O3B | HOB3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5B | C7B | doub | 1.29Å | 1.51Å | |
| C5B | C6B | sing | 1.51Å | 1.51Å | |
| C7B | HC7 | sing | 1.08Å | 1.10Å | |
| C6B | O6B | sing | 1.43Å | 1.43Å | |
| C6B | HC61 | sing | 1.09Å | 1.12Å | |
| C6B | HC62 | sing | 1.09Å | 1.11Å | |
| O6B | HO6B | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O5 | 112.0° | 109.8° |
| C2 | C1 | O1 | 109.4° | 109.4° |
| C2 | C1 | H1 | 108.8° | 109.5° |
| C1 | C2 | O2 | 108.1° | 109.5° |
| C1 | C2 | C3 | 111.6° | 109.0° |
| C1 | C2 | H2 | 108.9° | 109.5° |
| O5 | C1 | O1 | 112.1° | 109.4° |
| O5 | C1 | H1 | 105.9° | 109.4° |
| C1 | O5 | C5 | 114.4° | 107.6° |
| O1 | C1 | H1 | 108.6° | 109.4° |
| C1 | O1 | HO1 | 109.4° | 106.8° |
| C2 | O2 | HO2 | 108.1° | 106.8° |
| O2 | C2 | C3 | 109.2° | 109.6° |
| O2 | C2 | H2 | 111.3° | 109.5° |
| C3 | C2 | H2 | 107.7° | 109.6° |
| C2 | C3 | O3 | 110.0° | 109.6° |
| C2 | C3 | C4 | 109.4° | 108.6° |
| C2 | C3 | H3 | 109.0° | 109.6° |
| C3B | C4A | O4 | 98.7° | 109.3° |
| C3B | C4A | C5B | 115.3° | 110.1° |
| C3B | C4A | HC4 | 117.2° | 109.4° |
| C4A | C3B | C2B | 109.5° | 108.3° |
| C4A | C3B | O3B | 109.7° | 109.7° |
| C4A | C3B | HCB3 | 108.9° | 109.7° |
| O4 | C4A | C5B | 119.8° | 109.4° |
| O4 | C4A | HC4 | 112.4° | 109.3° |
| C4A | O4 | HO4 | 98.8° | 106.8° |
| C5B | C4A | HC4 | 94.7° | 109.3° |
| C4A | C5B | C7B | 123.2° | 124.1° |
| C4A | C5B | C6B | 118.7° | 118.0° |
| O3 | C3 | C4 | 109.1° | 109.7° |
| O3 | C3 | H3 | 109.3° | 109.6° |
| C3 | O3 | HO3 | 110.0° | 106.8° |
| C4 | C3 | H3 | 109.9° | 109.7° |
| C3 | C4 | N4A | 114.4° | 109.6° |
| C3 | C4 | C5 | 108.2° | 109.0° |
| C3 | C4 | H4 | 107.8° | 109.6° |
| N4A | C4 | C5 | 111.8° | 109.5° |
| N4A | C4 | H4 | 104.0° | 109.5° |
| C4 | N4A | C1B | 114.5° | 106.7° |
| C4 | N4A | HN4 | 110.3° | 106.7° |
| C5 | C4 | H4 | 110.6° | 109.7° |
| C4 | C5 | O5 | 108.7° | 109.8° |
| C4 | C5 | C6 | 111.7° | 109.4° |
| C4 | C5 | H5 | 108.7° | 109.4° |
| C1B | N4A | HN4 | 110.4° | 106.8° |
| N4A | C1B | C2B | 110.7° | 109.4° |
| N4A | C1B | C7B | 122.4° | 109.4° |
| N4A | C1B | HCB1 | 97.4° | 109.4° |
| O5 | C5 | C6 | 109.9° | 109.4° |
| O5 | C5 | H5 | 110.4° | 109.4° |
| C6 | C5 | H5 | 107.5° | 109.4° |
| C5 | C6 | H61 | 111.7° | 109.5° |
| C5 | C6 | H62 | 111.4° | 109.5° |
| C5 | C6 | H63 | 111.4° | 109.5° |
| H61 | C6 | H62 | 111.4° | 109.5° |
| H61 | C6 | H63 | 111.4° | 109.4° |
| H62 | C6 | H63 | 99.0° | 109.4° |
| C2B | C1B | C7B | 104.4° | 110.0° |
| C2B | C1B | HCB1 | 117.9° | 109.3° |
| C1B | C2B | O2B | 109.8° | 110.0° |
| C1B | C2B | C3B | 111.6° | 108.5° |
| C1B | C2B | HCB2 | 107.8° | 109.5° |
| C7B | C1B | HCB1 | 104.6° | 109.4° |
| C1B | C7B | C5B | 117.4° | 124.1° |
| C1B | C7B | HC7 | 121.1° | 117.9° |
| O2B | C2B | C3B | 109.4° | 109.6° |
| O2B | C2B | HCB2 | 110.0° | 109.6° |
| C2B | O2B | HO2B | 109.8° | 106.8° |
| C3B | C2B | HCB2 | 108.2° | 109.6° |
| C2B | C3B | O3B | 108.5° | 109.9° |
| C2B | C3B | HCB3 | 110.2° | 109.7° |
| O3B | C3B | HCB3 | 110.0° | 109.6° |
| C3B | O3B | HOB3 | 109.7° | 106.8° |
| C7B | C5B | C6B | 118.0° | 117.9° |
| C5B | C7B | HC7 | 121.5° | 118.0° |
| C5B | C6B | O6B | 101.5° | 109.5° |
| C5B | C6B | HC61 | 115.2° | 109.5° |
| C5B | C6B | HC62 | 115.3° | 109.5° |
| O6B | C6B | HC61 | 115.3° | 109.5° |
| O6B | C6B | HC62 | 115.3° | 109.5° |
| C6B | O6B | HO6B | 101.5° | 106.9° |
| HC61 | C6B | HC62 | 95.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O5 | O1 | 123.3° | 120.0° |
| C2 | C1 | O5 | H1 | 118.4° | 120.2° |
| C2 | C1 | O1 | H1 | 118.6° | 119.9° |
| C1 | C2 | O2 | C3 | 121.7° | 119.6° |
| C1 | C2 | O2 | H2 | 119.5° | 120.1° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | H2 | 119.5° | 119.9° |
| C1 | C2 | C3 | O3 | 171.8° | 173.7° |
| C1 | C2 | C3 | C4 | 51.8° | 53.8° |
| C1 | C2 | C3 | H3 | 68.4° | 66.0° |
| C2 | C1 | O5 | C5 | 53.9° | 67.5° |
| C2 | C1 | O1 | HO1 | 180.0° | 179.8° |
| O5 | C1 | O1 | H1 | 116.6° | 119.8° |
| O5 | C1 | C2 | O2 | 168.1° | 178.8° |
| O5 | C1 | C2 | C3 | 48.0° | 61.3° |
| O5 | C1 | C2 | H2 | 70.9° | 58.7° |
| C1 | O5 | C5 | C4 | 61.7° | 67.6° |
| C1 | O5 | C5 | C6 | 175.8° | 172.3° |
| C1 | O5 | C5 | H5 | 57.5° | 52.5° |
| O5 | C1 | O1 | HO1 | 55.2° | 60.0° |
| O1 | C1 | C2 | O2 | 43.3° | 61.2° |
| O1 | C1 | C2 | C3 | 76.9° | 58.8° |
| O1 | C1 | C2 | H2 | 164.3° | 178.7° |
| O1 | C1 | O5 | C5 | 69.4° | 52.5° |
| H1 | C1 | C2 | O2 | 75.2° | 58.7° |
| H1 | C1 | C2 | C3 | 164.6° | 178.6° |
| H1 | C1 | C2 | H2 | 45.8° | 61.5° |
| H1 | C1 | O5 | C5 | 172.3° | 172.3° |
| H1 | C1 | O1 | HO1 | 61.4° | 59.9° |
| O2 | C2 | C3 | H2 | 121.0° | 120.2° |
| O2 | C2 | C3 | O3 | 68.7° | 66.4° |
| O2 | C2 | C3 | C4 | 171.3° | 173.7° |
| O2 | C2 | C3 | H3 | 51.1° | 53.9° |
| HO2 | O2 | C2 | C3 | 58.4° | 179.6° |
| HO2 | O2 | C2 | H2 | 60.5° | 60.2° |
| C2 | C3 | O3 | C4 | 120.1° | 119.2° |
| C2 | C3 | O3 | H3 | 119.6° | 120.3° |
| C2 | C3 | C4 | H3 | 119.6° | 119.7° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | N4A | 175.5° | 173.7° |
| C2 | C3 | C4 | C5 | 59.2° | 53.8° |
| C2 | C3 | C4 | H4 | 60.4° | 66.1° |
| H2 | C2 | C3 | O3 | 52.3° | 53.8° |
| H2 | C2 | C3 | C4 | 67.6° | 66.1° |
| H2 | C2 | C3 | H3 | 172.1° | 174.1° |
| C3B | C4A | O4 | C5B | 125.9° | 120.6° |
| C3B | C4A | O4 | HC4 | 124.4° | 119.7° |
| C3B | C4A | C5B | HC4 | 123.1° | 120.2° |
| C4A | C3B | C2B | C1B | 64.9° | 67.6° |
| C4A | C3B | C2B | O2B | 173.4° | 52.5° |
| C4A | C3B | C2B | O3B | 119.8° | 119.8° |
| C4A | C3B | C2B | HCB3 | 119.8° | 119.7° |
| C4A | C3B | C2B | HCB2 | 53.5° | 172.9° |
| C4A | C3B | O3B | HCB3 | 119.8° | 120.4° |
| C4A | C3B | O3B | HOB3 | 180.0° | 60.0° |
| C3B | C4A | O4 | HO4 | 180.0° | 179.3° |
| C3B | C4A | C5B | C7B | 6.7° | 17.1° |
| C3B | C4A | C5B | C6B | 168.1° | 162.9° |
| O4 | C4A | C5B | HC4 | 119.2° | 119.7° |
| O4 | C4A | C3B | C2B | 153.0° | 70.7° |
| O4 | C4A | C3B | O3B | 88.1° | 169.4° |
| O4 | C4A | C3B | HCB3 | 32.4° | 49.0° |
| O4 | C4A | C5B | C7B | 111.0° | 103.0° |
| O4 | C4A | C5B | C6B | 74.2° | 77.0° |
| C4A | C5B | C7B | C1B | 0.2° | 0.5° |
| C5B | C4A | C3B | C2B | 24.0° | 49.5° |
| C5B | C4A | C3B | O3B | 143.0° | 70.5° |
| C5B | C4A | C3B | HCB3 | 96.6° | 169.2° |
| C5B | C4A | O4 | HO4 | 54.1° | 60.1° |
| C4A | C5B | C7B | C6B | 174.9° | 180.0° |
| C4A | C5B | C7B | HC7 | 179.7° | 179.5° |
| C4A | C5B | C6B | O6B | 101.4° | 180.0° |
| C4A | C5B | C6B | HC61 | 133.4° | 59.9° |
| C4A | C5B | C6B | HC62 | 24.0° | 60.0° |
| HC4 | C4A | C3B | C2B | 86.2° | 169.6° |
| HC4 | C4A | C3B | O3B | 32.8° | 49.7° |
| HC4 | C4A | C3B | HCB3 | 153.2° | 70.6° |
| HC4 | C4A | O4 | HO4 | 55.7° | 59.6° |
| HC4 | C4A | C5B | C7B | 129.9° | 137.4° |
| HC4 | C4A | C5B | C6B | 45.0° | 42.7° |
| O3 | C3 | C4 | H3 | 119.9° | 120.5° |
| O3 | C3 | C4 | N4A | 55.1° | 66.6° |
| O3 | C3 | C4 | C5 | 179.6° | 173.6° |
| O3 | C3 | C4 | H4 | 60.0° | 53.6° |
| C4 | C3 | O3 | HO3 | 59.9° | 179.1° |
| C3 | C4 | N4A | C5 | 123.4° | 119.5° |
| C3 | C4 | N4A | H4 | 117.3° | 120.2° |
| C3 | C4 | C5 | H4 | 117.9° | 119.9° |
| C3 | C4 | N4A | C1B | 90.8° | 94.3° |
| C3 | C4 | N4A | HN4 | 34.5° | 151.9° |
| C3 | C4 | C5 | O5 | 63.3° | 61.4° |
| C3 | C4 | C5 | C6 | 175.3° | 178.5° |
| C3 | C4 | C5 | H5 | 56.9° | 58.7° |
| H3 | C3 | O3 | HO3 | 60.4° | 60.3° |
| H3 | C3 | C4 | N4A | 64.8° | 53.9° |
| H3 | C3 | C4 | C5 | 60.4° | 65.9° |
| H3 | C3 | C4 | H4 | 180.0° | 174.1° |
| N4A | C4 | C5 | H4 | 115.3° | 120.2° |
| C4 | N4A | C1B | HN4 | 125.2° | 113.8° |
| N4A | C4 | C5 | O5 | 169.9° | 178.8° |
| N4A | C4 | C5 | C6 | 48.4° | 58.7° |
| N4A | C4 | C5 | H5 | 69.9° | 61.1° |
| C4 | N4A | C1B | C2B | 151.5° | 145.8° |
| C4 | N4A | C1B | C7B | 27.7° | 93.7° |
| C4 | N4A | C1B | HCB1 | 84.9° | 26.1° |
| C5 | C4 | N4A | C1B | 145.8° | 146.2° |
| C5 | C4 | N4A | HN4 | 88.9° | 32.4° |
| C4 | C5 | O5 | C6 | 122.5° | 120.1° |
| C4 | C5 | O5 | H5 | 119.1° | 120.1° |
| C4 | C5 | C6 | H5 | 119.1° | 119.8° |
| C4 | C5 | C6 | H61 | 180.0° | 172.9° |
| C4 | C5 | C6 | H62 | 54.8° | 67.1° |
| C4 | C5 | C6 | H63 | 54.7° | 52.9° |
| H4 | C4 | N4A | C1B | 26.5° | 25.9° |
| H4 | C4 | N4A | HN4 | 151.8° | 87.9° |
| H4 | C4 | C5 | O5 | 54.5° | 58.6° |
| H4 | C4 | C5 | C6 | 66.9° | 61.5° |
| H4 | C4 | C5 | H5 | 174.8° | 178.6° |
| N4A | C1B | C2B | C7B | 133.5° | 120.1° |
| N4A | C1B | C2B | HCB1 | 110.9° | 119.7° |
| N4A | C1B | C7B | HCB1 | 108.9° | 119.8° |
| N4A | C1B | C2B | O2B | 57.0° | 49.9° |
| N4A | C1B | C2B | C3B | 64.4° | 169.7° |
| N4A | C1B | C2B | HCB2 | 176.9° | 70.7° |
| N4A | C1B | C7B | C5B | 91.5° | 137.3° |
| N4A | C1B | C7B | HC7 | 88.4° | 42.7° |
| HN4 | N4A | C1B | C2B | 83.3° | 100.4° |
| HN4 | N4A | C1B | C7B | 153.0° | 20.1° |
| HN4 | N4A | C1B | HCB1 | 40.4° | 139.9° |
| O5 | C5 | C6 | H5 | 120.2° | 119.8° |
| O5 | C5 | C6 | H61 | 59.3° | 52.5° |
| O5 | C5 | C6 | H62 | 175.5° | 172.6° |
| O5 | C5 | C6 | H63 | 66.0° | 67.4° |
| C5 | C6 | H61 | H62 | 125.3° | 120.1° |
| C5 | C6 | H61 | H63 | 125.3° | 120.0° |
| C5 | C6 | H62 | H63 | 117.3° | 120.0° |
| H5 | C5 | C6 | H61 | 60.9° | 67.3° |
| H5 | C5 | C6 | H62 | 64.3° | 52.7° |
| H5 | C5 | C6 | H63 | 173.8° | 172.7° |
| H61 | C6 | H62 | H63 | 117.3° | 119.9° |
| C2B | C1B | C7B | HCB1 | 124.5° | 120.1° |
| C1B | C2B | O2B | C3B | 122.8° | 119.2° |
| C1B | C2B | O2B | HCB2 | 118.5° | 120.4° |
| C1B | C2B | C3B | HCB2 | 118.4° | 119.5° |
| C1B | C2B | O2B | HO2B | 179.9° | 179.1° |
| C1B | C2B | C3B | O3B | 175.4° | 52.2° |
| C1B | C2B | C3B | HCB3 | 54.9° | 172.7° |
| C2B | C1B | C7B | C5B | 35.0° | 17.2° |
| C2B | C1B | C7B | HC7 | 145.0° | 162.8° |
| C7B | C1B | C2B | O2B | 169.4° | 70.3° |
| C7B | C1B | C2B | C3B | 69.1° | 49.6° |
| C7B | C1B | C2B | HCB2 | 49.6° | 169.2° |
| C1B | C7B | C5B | HC7 | 179.9° | 179.9° |
| C1B | C7B | C5B | C6B | 174.7° | 179.5° |
| HCB1 | C1B | C2B | O2B | 53.9° | 169.6° |
| HCB1 | C1B | C2B | C3B | 175.3° | 70.5° |
| HCB1 | C1B | C2B | HCB2 | 66.0° | 49.1° |
| HCB1 | C1B | C7B | C5B | 159.5° | 102.9° |
| HCB1 | C1B | C7B | HC7 | 20.5° | 77.1° |
| O2B | C2B | C3B | HCB2 | 119.9° | 120.4° |
| O2B | C2B | C3B | O3B | 53.7° | 172.3° |
| O2B | C2B | C3B | HCB3 | 66.8° | 67.2° |
| C3B | C2B | O2B | HO2B | 57.2° | 59.9° |
| C2B | C3B | O3B | HCB3 | 120.6° | 120.6° |
| C2B | C3B | O3B | HOB3 | 60.4° | 179.0° |
| HCB2 | C2B | O2B | HO2B | 61.6° | 60.5° |
| HCB2 | C2B | C3B | O3B | 66.2° | 67.3° |
| HCB2 | C2B | C3B | HCB3 | 173.3° | 53.2° |
| HCB3 | C3B | O3B | HOB3 | 60.2° | 60.4° |
| C7B | C5B | C6B | O6B | 73.8° | 0.0° |
| C7B | C5B | C6B | HC61 | 51.5° | 120.0° |
| C7B | C5B | C6B | HC62 | 160.9° | 120.0° |
| C6B | C5B | C7B | HC7 | 5.4° | 0.4° |
| C5B | C6B | O6B | HC61 | 125.3° | 120.0° |
| C5B | C6B | O6B | HC62 | 125.3° | 120.0° |
| C5B | C6B | HC61 | HC62 | 121.1° | 120.0° |
| C5B | C6B | O6B | HO6B | 180.0° | 180.0° |
| O6B | C6B | HC61 | HC62 | 121.1° | 120.0° |
| HC61 | C6B | O6B | HO6B | 54.7° | 60.0° |
| HC62 | C6B | O6B | HO6B | 54.7° | 59.9° |
