AE1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C3 | sing | 1.34Å | 1.33Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | O2 | doub | 1.21Å | 1.21Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C1 | N | sing | 1.47Å | 1.47Å | |
| C1 | P | sing | 1.82Å | 1.86Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| P | O1P | sing | 1.61Å | 1.48Å | |
| P | O2P | doub | 1.48Å | 1.59Å | |
| P | C8 | sing | 1.82Å | 1.85Å | |
| O1P | H1P | sing | 0.97Å | 0.95Å | |
| C8 | C6 | sing | 1.53Å | 1.56Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.57Å | |
| C6 | H6 | sing | 1.09Å | 1.12Å | |
| C7 | O4 | doub | 1.21Å | 1.36Å | |
| C7 | O3 | sing | 1.34Å | 1.24Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C5 | C16 | sing | 1.53Å | 1.58Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.53Å | 1.58Å | |
| C16 | C18 | sing | 1.53Å | 1.56Å | |
| C16 | H16 | sing | 1.09Å | 1.11Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C17 | H173 | sing | 1.09Å | 1.11Å | |
| C18 | H183 | sing | 1.09Å | 1.12Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | O1 | HO1 | 123.2° | 120.1° |
| O1 | C3 | O2 | 123.2° | 120.0° |
| O1 | C3 | C2 | 116.0° | 120.0° |
| O2 | C3 | C2 | 120.8° | 120.0° |
| C3 | C2 | C1 | 113.0° | 109.5° |
| C3 | C2 | H21 | 110.9° | 109.5° |
| C3 | C2 | H22 | 110.9° | 109.5° |
| C1 | C2 | H21 | 110.9° | 109.5° |
| C1 | C2 | H22 | 110.9° | 109.5° |
| C2 | C1 | N | 109.6° | 109.5° |
| C2 | C1 | P | 112.4° | 109.5° |
| C2 | C1 | H1 | 105.9° | 109.5° |
| H21 | C2 | H22 | 99.4° | 109.4° |
| N | C1 | P | 104.4° | 109.4° |
| N | C1 | H1 | 113.7° | 109.5° |
| C1 | N | HN1 | 109.7° | 106.7° |
| C1 | N | HN2 | 112.2° | 106.7° |
| P | C1 | H1 | 111.0° | 109.5° |
| C1 | P | O1P | 105.1° | 109.5° |
| C1 | P | O2P | 111.0° | 109.5° |
| C1 | P | C8 | 115.5° | 109.5° |
| HN1 | N | HN2 | 112.1° | 106.7° |
| O1P | P | O2P | 107.7° | 109.5° |
| O1P | P | C8 | 105.0° | 109.5° |
| P | O1P | H1P | 105.2° | 106.8° |
| O2P | P | C8 | 111.9° | 109.5° |
| P | C8 | C6 | 120.5° | 109.5° |
| P | C8 | H81 | 108.3° | 109.5° |
| P | C8 | H82 | 108.3° | 109.5° |
| C6 | C8 | H81 | 108.3° | 109.5° |
| C6 | C8 | H82 | 108.3° | 109.4° |
| C8 | C6 | C7 | 110.9° | 109.5° |
| C8 | C6 | C5 | 111.3° | 109.5° |
| C8 | C6 | H6 | 106.6° | 109.5° |
| H81 | C8 | H82 | 101.6° | 109.4° |
| C7 | C6 | C5 | 107.4° | 109.5° |
| C7 | C6 | H6 | 110.5° | 109.4° |
| C6 | C7 | O4 | 114.9° | 120.0° |
| C6 | C7 | O3 | 122.2° | 120.0° |
| C5 | C6 | H6 | 110.1° | 109.5° |
| C6 | C5 | C16 | 118.5° | 109.5° |
| C6 | C5 | H51 | 108.9° | 109.5° |
| C6 | C5 | H52 | 109.0° | 109.5° |
| O4 | C7 | O3 | 122.9° | 120.0° |
| C7 | O3 | HO3 | 122.2° | 120.0° |
| C16 | C5 | H51 | 109.0° | 109.4° |
| C16 | C5 | H52 | 109.0° | 109.5° |
| C5 | C16 | C17 | 107.8° | 109.5° |
| C5 | C16 | C18 | 114.1° | 109.5° |
| C5 | C16 | H16 | 106.8° | 109.5° |
| H51 | C5 | H52 | 101.1° | 109.4° |
| C17 | C16 | C18 | 107.2° | 109.5° |
| C17 | C16 | H16 | 113.7° | 109.5° |
| C16 | C17 | H171 | 107.9° | 109.5° |
| C16 | C17 | H172 | 112.8° | 109.4° |
| C16 | C17 | H173 | 112.8° | 109.5° |
| C18 | C16 | H16 | 107.4° | 109.5° |
| C16 | C18 | H183 | 110.5° | 109.5° |
| C16 | C18 | H181 | 114.1° | 109.5° |
| C16 | C18 | H182 | 110.5° | 109.5° |
| H171 | C17 | H172 | 112.8° | 109.5° |
| H171 | C17 | H173 | 112.8° | 109.5° |
| H172 | C17 | H173 | 97.6° | 109.5° |
| H183 | C18 | H181 | 110.5° | 109.5° |
| H183 | C18 | H182 | 99.7° | 109.4° |
| H181 | C18 | H182 | 110.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C3 | O2 | C2 | 179.3° | 180.0° |
| O1 | C3 | C2 | C1 | 97.8° | 172.3° |
| O1 | C3 | C2 | H21 | 27.4° | 52.4° |
| O1 | C3 | C2 | H22 | 136.9° | 67.6° |
| HO1 | O1 | C3 | O2 | 179.9° | 0.0° |
| HO1 | O1 | C3 | C2 | 0.8° | 180.0° |
| O2 | C3 | C2 | C1 | 81.5° | 7.6° |
| O2 | C3 | C2 | H21 | 153.2° | 127.6° |
| O2 | C3 | C2 | H22 | 43.8° | 112.4° |
| C3 | C2 | C1 | H21 | 125.3° | 120.0° |
| C3 | C2 | C1 | H22 | 125.2° | 120.1° |
| C3 | C2 | H21 | H22 | 116.8° | 120.0° |
| C3 | C2 | C1 | N | 63.3° | 65.4° |
| C3 | C2 | C1 | P | 178.9° | 174.6° |
| C3 | C2 | C1 | H1 | 59.8° | 54.6° |
| C1 | C2 | H21 | H22 | 116.8° | 120.0° |
| C2 | C1 | N | P | 120.7° | 120.0° |
| C2 | C1 | N | H1 | 118.3° | 120.0° |
| C2 | C1 | P | H1 | 118.4° | 120.0° |
| C2 | C1 | N | HN1 | 180.0° | 60.0° |
| C2 | C1 | N | HN2 | 54.7° | 53.8° |
| C2 | C1 | P | O1P | 27.8° | 55.0° |
| C2 | C1 | P | O2P | 88.4° | 65.0° |
| C2 | C1 | P | C8 | 143.0° | 175.0° |
| H21 | C2 | C1 | N | 171.4° | 54.5° |
| H21 | C2 | C1 | P | 55.8° | 65.4° |
| H21 | C2 | C1 | H1 | 65.5° | 174.6° |
| H22 | C2 | C1 | N | 62.0° | 174.5° |
| H22 | C2 | C1 | P | 53.7° | 54.5° |
| H22 | C2 | C1 | H1 | 175.0° | 65.5° |
| N | C1 | P | H1 | 122.9° | 120.0° |
| C1 | N | HN1 | HN2 | 125.3° | 113.8° |
| N | C1 | P | O1P | 91.0° | 65.0° |
| N | C1 | P | O2P | 152.9° | 175.0° |
| N | C1 | P | C8 | 24.3° | 55.0° |
| P | C1 | N | HN1 | 59.3° | 60.0° |
| P | C1 | N | HN2 | 175.3° | 173.7° |
| C1 | P | O1P | O2P | 118.4° | 120.0° |
| C1 | P | O1P | C8 | 122.3° | 120.0° |
| C1 | P | O2P | C8 | 130.5° | 120.0° |
| C1 | P | O1P | H1P | 180.0° | 60.0° |
| C1 | P | C8 | C6 | 104.9° | 174.7° |
| C1 | P | C8 | H81 | 129.8° | 54.7° |
| C1 | P | C8 | H82 | 20.4° | 65.3° |
| H1 | C1 | N | HN1 | 61.7° | 180.0° |
| H1 | C1 | N | HN2 | 63.6° | 66.3° |
| H1 | C1 | P | O1P | 146.1° | 175.0° |
| H1 | C1 | P | O2P | 30.0° | 55.0° |
| H1 | C1 | P | C8 | 98.6° | 65.0° |
| O1P | P | O2P | C8 | 114.9° | 120.0° |
| O1P | P | C8 | C6 | 139.8° | 65.3° |
| O1P | P | C8 | H81 | 14.5° | 174.7° |
| O1P | P | C8 | H82 | 94.9° | 54.7° |
| O2P | P | O1P | H1P | 61.6° | 180.0° |
| O2P | P | C8 | C6 | 23.3° | 54.7° |
| O2P | P | C8 | H81 | 102.0° | 65.3° |
| O2P | P | C8 | H82 | 148.6° | 174.7° |
| C8 | P | O1P | H1P | 57.7° | 60.0° |
| P | C8 | C6 | H81 | 125.3° | 120.1° |
| P | C8 | C6 | H82 | 125.3° | 120.0° |
| P | C8 | H81 | H82 | 113.9° | 120.0° |
| P | C8 | C6 | C7 | 38.5° | 165.2° |
| P | C8 | C6 | C5 | 158.1° | 74.7° |
| P | C8 | C6 | H6 | 81.8° | 45.3° |
| C6 | C8 | H81 | H82 | 113.9° | 119.9° |
| C8 | C6 | C7 | C5 | 121.8° | 120.1° |
| C8 | C6 | C7 | H6 | 118.0° | 120.0° |
| C8 | C6 | C5 | H6 | 118.0° | 120.0° |
| C8 | C6 | C7 | O4 | 149.3° | 85.2° |
| C8 | C6 | C7 | O3 | 30.6° | 94.8° |
| C8 | C6 | C5 | C16 | 154.9° | 175.0° |
| C8 | C6 | C5 | H51 | 29.6° | 65.0° |
| C8 | C6 | C5 | H52 | 79.8° | 55.0° |
| H81 | C8 | C6 | C7 | 163.8° | 45.2° |
| H81 | C8 | C6 | C5 | 76.7° | 165.2° |
| H81 | C8 | C6 | H6 | 43.4° | 74.7° |
| H82 | C8 | C6 | C7 | 86.7° | 74.8° |
| H82 | C8 | C6 | C5 | 32.8° | 45.3° |
| H82 | C8 | C6 | H6 | 152.9° | 165.3° |
| C7 | C6 | C5 | H6 | 120.4° | 119.9° |
| C6 | C7 | O4 | O3 | 179.9° | 179.9° |
| C6 | C7 | O3 | HO3 | 180.0° | 180.0° |
| C7 | C6 | C5 | C16 | 83.5° | 64.9° |
| C7 | C6 | C5 | H51 | 151.2° | 55.1° |
| C7 | C6 | C5 | H52 | 41.8° | 175.0° |
| C5 | C6 | C7 | O4 | 88.9° | 34.9° |
| C5 | C6 | C7 | O3 | 91.2° | 145.2° |
| C6 | C5 | C16 | H51 | 125.2° | 120.0° |
| C6 | C5 | C16 | H52 | 125.3° | 120.0° |
| C6 | C5 | H51 | H52 | 114.7° | 120.0° |
| C6 | C5 | C16 | C17 | 178.7° | 65.0° |
| C6 | C5 | C16 | C18 | 62.4° | 175.0° |
| C6 | C5 | C16 | H16 | 56.1° | 55.0° |
| H6 | C6 | C7 | O4 | 31.3° | 154.9° |
| H6 | C6 | C7 | O3 | 148.6° | 25.2° |
| H6 | C6 | C5 | C16 | 36.9° | 55.0° |
| H6 | C6 | C5 | H51 | 88.4° | 175.0° |
| H6 | C6 | C5 | H52 | 162.2° | 65.1° |
| O4 | C7 | O3 | HO3 | 0.1° | 0.0° |
| C16 | C5 | H51 | H52 | 114.7° | 120.0° |
| C5 | C16 | C17 | C18 | 123.3° | 120.0° |
| C5 | C16 | C17 | H16 | 118.2° | 120.0° |
| C5 | C16 | C18 | H16 | 118.1° | 120.0° |
| C5 | C16 | C17 | H171 | 180.0° | 180.0° |
| C5 | C16 | C17 | H172 | 54.7° | 60.0° |
| C5 | C16 | C17 | H173 | 54.7° | 60.0° |
| C5 | C16 | C18 | H183 | 54.7° | 180.0° |
| C5 | C16 | C18 | H181 | 180.0° | 60.0° |
| C5 | C16 | C18 | H182 | 54.7° | 60.0° |
| H51 | C5 | C16 | C17 | 56.1° | 175.0° |
| H51 | C5 | C16 | C18 | 62.9° | 55.0° |
| H51 | C5 | C16 | H16 | 178.6° | 65.1° |
| H52 | C5 | C16 | C17 | 53.4° | 55.0° |
| H52 | C5 | C16 | C18 | 172.3° | 64.9° |
| H52 | C5 | C16 | H16 | 69.2° | 175.0° |
| C17 | C16 | C18 | H16 | 122.5° | 120.0° |
| C16 | C17 | H171 | H172 | 125.3° | 120.0° |
| C16 | C17 | H171 | H173 | 125.3° | 120.0° |
| C16 | C17 | H172 | H173 | 118.7° | 120.0° |
| C17 | C16 | C18 | H183 | 64.6° | 60.0° |
| C17 | C16 | C18 | H181 | 60.6° | 60.0° |
| C17 | C16 | C18 | H182 | 174.0° | 180.0° |
| C18 | C16 | C17 | H171 | 56.7° | 60.0° |
| C18 | C16 | C17 | H172 | 68.5° | 180.0° |
| C18 | C16 | C17 | H173 | 177.9° | 60.0° |
| C16 | C18 | H183 | H181 | 127.2° | 120.0° |
| C16 | C18 | H183 | H182 | 116.4° | 120.0° |
| C16 | C18 | H181 | H182 | 125.3° | 120.1° |
| H16 | C16 | C17 | H171 | 61.8° | 60.0° |
| H16 | C16 | C17 | H172 | 172.9° | 60.0° |
| H16 | C16 | C17 | H173 | 63.5° | 180.0° |
| H16 | C16 | C18 | H183 | 172.9° | 60.0° |
| H16 | C16 | C18 | H181 | 61.9° | 180.0° |
| H16 | C16 | C18 | H182 | 63.5° | 60.0° |
| H171 | C17 | H172 | H173 | 118.7° | 120.1° |
| H183 | C18 | H181 | H182 | 109.4° | 119.9° |
