A1E8P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O36 | P19 | doub | 1.48Å | 1.39Å | |
| O18 | P19 | sing | 1.61Å | 1.61Å | |
| P19 | O37 | sing | 1.61Å | 1.55Å | |
| P19 | O20 | sing | 1.61Å | 1.71Å | |
| C21 | O20 | sing | 1.43Å | 1.50Å | |
| C21 | C22 | sing | 1.51Å | 1.47Å | |
| C22 | C23 | doub | 1.31Å | 1.29Å | |
| C24 | C25 | sing | 1.53Å | 1.59Å | |
| C24 | C23 | sing | 1.51Å | 1.53Å | |
| C25 | C26 | sing | 1.51Å | 1.55Å | |
| C23 | C35 | sing | 1.51Å | 1.54Å | |
| C26 | C27 | doub | 1.31Å | 1.34Å | |
| C28 | C27 | sing | 1.51Å | 1.55Å | |
| C27 | C29 | sing | 1.51Å | 1.58Å | |
| C29 | C30 | sing | 1.53Å | 1.60Å | |
| C34 | C32 | sing | 1.51Å | 1.48Å | |
| C31 | C32 | doub | 1.31Å | 1.34Å | |
| C31 | C30 | sing | 1.51Å | 1.50Å | |
| C32 | C33 | sing | 1.51Å | 1.50Å | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| O18 | H11 | sing | 0.97Å | 0.95Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.08Å | 1.08Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| O37 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O36 | P19 | O18 | 104.1° | 109.4° |
| O36 | P19 | O37 | 112.4° | 109.5° |
| O36 | P19 | O20 | 110.8° | 109.5° |
| O18 | P19 | O37 | 107.8° | 109.5° |
| O18 | P19 | O20 | 112.0° | 109.5° |
| P19 | O18 | H11 | 109.5° | 114.0° |
| O37 | P19 | O20 | 109.7° | 109.5° |
| P19 | O37 | H31 | 109.5° | 114.0° |
| P19 | O20 | C21 | 126.8° | 123.0° |
| O20 | C21 | C22 | 103.1° | 109.5° |
| O20 | C21 | H1 | 111.0° | 109.5° |
| O20 | C21 | H2 | 111.0° | 109.5° |
| C21 | C22 | C23 | 127.1° | 120.0° |
| C22 | C21 | H1 | 111.0° | 109.4° |
| C22 | C21 | H2 | 111.0° | 109.5° |
| C21 | C22 | H3 | 116.4° | 119.9° |
| C22 | C23 | C24 | 125.7° | 120.0° |
| C22 | C23 | C35 | 118.0° | 120.0° |
| C23 | C22 | H3 | 116.4° | 120.1° |
| C25 | C24 | C23 | 101.1° | 109.5° |
| C24 | C25 | C26 | 112.2° | 109.5° |
| C25 | C24 | H4 | 111.5° | 109.5° |
| C25 | C24 | H5 | 111.5° | 109.5° |
| C24 | C25 | H12 | 108.8° | 109.5° |
| C24 | C25 | H13 | 108.8° | 109.5° |
| C24 | C23 | C35 | 116.4° | 120.0° |
| C23 | C24 | H4 | 111.5° | 109.5° |
| C23 | C24 | H5 | 111.5° | 109.4° |
| C25 | C26 | C27 | 113.6° | 120.0° |
| C25 | C26 | H6 | 123.2° | 120.1° |
| C26 | C25 | H12 | 108.8° | 109.5° |
| C26 | C25 | H13 | 108.8° | 109.5° |
| C23 | C35 | H28 | 109.5° | 109.4° |
| C23 | C35 | H29 | 109.5° | 109.5° |
| C23 | C35 | H30 | 109.5° | 109.5° |
| C26 | C27 | C28 | 127.5° | 120.0° |
| C26 | C27 | C29 | 124.6° | 120.0° |
| C27 | C26 | H6 | 123.2° | 120.0° |
| C28 | C27 | C29 | 107.9° | 120.0° |
| C27 | C28 | H8 | 109.5° | 109.5° |
| C27 | C28 | H9 | 109.5° | 109.5° |
| C27 | C28 | H10 | 109.5° | 109.4° |
| C27 | C29 | C30 | 107.7° | 109.5° |
| C27 | C29 | H15 | 110.0° | 109.5° |
| C27 | C29 | H16 | 109.9° | 109.4° |
| C29 | C30 | C31 | 108.0° | 109.5° |
| C30 | C29 | H15 | 109.9° | 109.4° |
| C30 | C29 | H16 | 109.9° | 109.5° |
| C29 | C30 | H17 | 109.8° | 109.4° |
| C29 | C30 | H18 | 109.9° | 109.4° |
| C34 | C32 | C31 | 126.0° | 120.0° |
| C34 | C32 | C33 | 111.2° | 120.0° |
| C32 | C34 | H25 | 109.5° | 109.5° |
| C32 | C34 | H26 | 109.5° | 109.5° |
| C32 | C34 | H27 | 109.5° | 109.5° |
| C32 | C31 | C30 | 108.3° | 120.0° |
| C31 | C32 | C33 | 122.8° | 120.0° |
| C32 | C31 | H19 | 125.8° | 120.0° |
| C31 | C30 | H17 | 109.9° | 109.5° |
| C31 | C30 | H18 | 109.8° | 109.5° |
| C30 | C31 | H19 | 125.8° | 120.0° |
| C32 | C33 | H22 | 109.5° | 109.5° |
| C32 | C33 | H23 | 109.4° | 109.5° |
| C32 | C33 | H24 | 109.4° | 109.5° |
| H1 | C21 | H2 | 109.5° | 109.5° |
| H4 | C24 | H5 | 109.5° | 109.5° |
| H8 | C28 | H9 | 109.5° | 109.5° |
| H8 | C28 | H10 | 109.5° | 109.5° |
| H9 | C28 | H10 | 109.5° | 109.5° |
| H12 | C25 | H13 | 109.5° | 109.4° |
| H15 | C29 | H16 | 109.5° | 109.4° |
| H17 | C30 | H18 | 109.4° | 109.5° |
| H22 | C33 | H23 | 109.5° | 109.5° |
| H22 | C33 | H24 | 109.5° | 109.5° |
| H23 | C33 | H24 | 109.5° | 109.5° |
| H25 | C34 | H26 | 109.5° | 109.4° |
| H25 | C34 | H27 | 109.5° | 109.4° |
| H26 | C34 | H27 | 109.5° | 109.5° |
| H28 | C35 | H29 | 109.5° | 109.5° |
| H28 | C35 | H30 | 109.5° | 109.5° |
| H29 | C35 | H30 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O36 | P19 | O18 | O37 | 119.5° | 120.0° |
| O36 | P19 | O18 | O20 | 119.8° | 120.0° |
| O36 | P19 | O37 | O20 | 123.7° | 120.0° |
| O36 | P19 | O20 | C21 | 16.9° | 55.0° |
| O36 | P19 | O18 | H11 | 0.0° | 180.0° |
| O36 | P19 | O37 | H31 | 0.0° | 60.0° |
| O18 | P19 | O37 | O20 | 122.2° | 120.0° |
| O18 | P19 | O20 | C21 | 98.8° | 65.0° |
| O18 | P19 | O37 | H31 | 114.1° | 60.0° |
| O37 | P19 | O20 | C21 | 141.5° | 175.0° |
| O37 | P19 | O18 | H11 | 119.5° | 60.0° |
| P19 | O20 | C21 | C22 | 110.1° | 180.0° |
| P19 | O20 | C21 | H1 | 130.9° | 60.0° |
| P19 | O20 | C21 | H2 | 8.8° | 60.0° |
| O20 | P19 | O18 | H11 | 119.8° | 60.0° |
| O20 | P19 | O37 | H31 | 123.7° | 180.0° |
| O20 | C21 | C22 | H1 | 119.0° | 120.0° |
| O20 | C21 | C22 | H2 | 119.0° | 120.0° |
| O20 | C21 | C22 | C23 | 153.4° | 135.2° |
| O20 | C21 | H1 | H2 | 122.9° | 120.0° |
| O20 | C21 | C22 | H3 | 26.6° | 44.8° |
| C21 | C22 | C23 | H3 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 1.6° | 6.4° |
| C21 | C22 | C23 | C35 | 180.0° | 173.6° |
| C22 | C21 | H1 | H2 | 123.0° | 120.0° |
| C22 | C23 | C24 | C25 | 150.4° | 93.5° |
| C22 | C23 | C24 | C35 | 178.4° | 180.0° |
| C23 | C22 | C21 | H1 | 34.4° | 15.2° |
| C23 | C22 | C21 | H2 | 87.6° | 104.8° |
| C22 | C23 | C24 | H4 | 31.7° | 146.4° |
| C22 | C23 | C24 | H5 | 91.0° | 26.5° |
| C22 | C23 | C35 | H28 | 180.0° | 90.0° |
| C22 | C23 | C35 | H29 | 60.0° | 150.0° |
| C22 | C23 | C35 | H30 | 60.0° | 30.0° |
| C25 | C24 | C23 | H4 | 118.6° | 120.0° |
| C25 | C24 | C23 | H5 | 118.6° | 120.0° |
| C24 | C25 | C26 | H12 | 120.4° | 120.0° |
| C24 | C25 | C26 | H13 | 120.4° | 120.0° |
| C25 | C24 | C23 | C35 | 28.1° | 86.5° |
| C24 | C25 | C26 | C27 | 141.7° | 118.9° |
| C25 | C24 | H4 | H5 | 123.9° | 120.0° |
| C24 | C25 | C26 | H6 | 38.3° | 61.0° |
| C24 | C25 | H12 | H13 | 118.7° | 120.0° |
| C23 | C24 | C25 | C26 | 113.8° | NaN° |
| C24 | C23 | C22 | H3 | 178.4° | 173.6° |
| C23 | C24 | H4 | H5 | 123.9° | 119.9° |
| C23 | C24 | C25 | H12 | 125.8° | 60.0° |
| C23 | C24 | C25 | H13 | 6.6° | 60.0° |
| C24 | C23 | C35 | H28 | 1.4° | 90.0° |
| C24 | C23 | C35 | H29 | 118.6° | 30.0° |
| C24 | C23 | C35 | H30 | 121.4° | 150.0° |
| C25 | C26 | C27 | H6 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.1° | 5.3° |
| C25 | C26 | C27 | C29 | 179.9° | 174.6° |
| C26 | C25 | C24 | H4 | 127.6° | 60.0° |
| C26 | C25 | C24 | H5 | 4.8° | 60.1° |
| C26 | C25 | H12 | H13 | 118.8° | 120.0° |
| C35 | C23 | C22 | H3 | 0.0° | 6.4° |
| C35 | C23 | C24 | H4 | 146.7° | 33.6° |
| C35 | C23 | C24 | H5 | 90.5° | 153.6° |
| C23 | C35 | H28 | H29 | 120.0° | 120.0° |
| C23 | C35 | H28 | H30 | 120.0° | 120.0° |
| C23 | C35 | H29 | H30 | 120.0° | 120.0° |
| C26 | C27 | C28 | C29 | 179.8° | 180.0° |
| C26 | C27 | C29 | C30 | 13.1° | 95.0° |
| C26 | C27 | C28 | H8 | 180.0° | 64.5° |
| C26 | C27 | C28 | H9 | 60.0° | 175.5° |
| C26 | C27 | C28 | H10 | 60.0° | 55.5° |
| C27 | C26 | C25 | H12 | 97.9° | 1.2° |
| C27 | C26 | C25 | H13 | 21.3° | 121.1° |
| C26 | C27 | C29 | H15 | 106.6° | 145.0° |
| C26 | C27 | C29 | H16 | 132.8° | 25.0° |
| C28 | C27 | C29 | C30 | 166.7° | 85.0° |
| C28 | C27 | C26 | H6 | 179.9° | 174.6° |
| C27 | C28 | H8 | H9 | 120.0° | 120.0° |
| C27 | C28 | H8 | H10 | 120.0° | 120.0° |
| C27 | C28 | H9 | H10 | 120.0° | 119.9° |
| C28 | C27 | C29 | H15 | 73.6° | 35.0° |
| C28 | C27 | C29 | H16 | 47.0° | 154.9° |
| C27 | C29 | C30 | H15 | 119.7° | 120.0° |
| C27 | C29 | C30 | H16 | 119.7° | 120.0° |
| C27 | C29 | C30 | C31 | 113.9° | 180.0° |
| C29 | C27 | C26 | H6 | 0.1° | 5.5° |
| C29 | C27 | C28 | H8 | 0.2° | 115.5° |
| C29 | C27 | C28 | H9 | 120.2° | 4.6° |
| C29 | C27 | C28 | H10 | 119.8° | 124.5° |
| C27 | C29 | H15 | H16 | 120.8° | 119.9° |
| C27 | C29 | C30 | H17 | 126.3° | 60.0° |
| C27 | C29 | C30 | H18 | 5.9° | 60.0° |
| C29 | C30 | C31 | C32 | 163.6° | 118.0° |
| C29 | C30 | C31 | H17 | 119.8° | 120.0° |
| C29 | C30 | C31 | H18 | 119.8° | 120.0° |
| C30 | C29 | H15 | H16 | 120.8° | 120.0° |
| C29 | C30 | H17 | H18 | 120.7° | 119.9° |
| C29 | C30 | C31 | H19 | 16.4° | 62.0° |
| C34 | C32 | C31 | C33 | 178.9° | 180.0° |
| C34 | C32 | C31 | C30 | 179.6° | 176.4° |
| C34 | C32 | C31 | H19 | 0.4° | 3.6° |
| C34 | C32 | C33 | H22 | 180.0° | 95.2° |
| C34 | C32 | C33 | H23 | 60.0° | 24.8° |
| C34 | C32 | C33 | H24 | 60.0° | 144.8° |
| C32 | C34 | H25 | H26 | 120.0° | 120.0° |
| C32 | C34 | H25 | H27 | 120.0° | 120.0° |
| C32 | C34 | H26 | H27 | 120.0° | 120.1° |
| C32 | C31 | C30 | H19 | 180.0° | 179.9° |
| C32 | C31 | C30 | H17 | 76.7° | 2.0° |
| C32 | C31 | C30 | H18 | 43.8° | 122.0° |
| C31 | C32 | C33 | H22 | 1.0° | 84.8° |
| C31 | C32 | C33 | H23 | 119.1° | 155.2° |
| C31 | C32 | C33 | H24 | 121.0° | 35.2° |
| C31 | C32 | C34 | H25 | 180.0° | 0.0° |
| C31 | C32 | C34 | H26 | 60.0° | 120.0° |
| C31 | C32 | C34 | H27 | 60.0° | 120.0° |
| C30 | C31 | C32 | C33 | 0.7° | 3.5° |
| C31 | C30 | C29 | H15 | 5.9° | 60.0° |
| C31 | C30 | C29 | H16 | 126.4° | 60.0° |
| C31 | C30 | H17 | H18 | 120.7° | 120.0° |
| C33 | C32 | C31 | H19 | 179.3° | 176.4° |
| C32 | C33 | H22 | H23 | 120.0° | 120.0° |
| C32 | C33 | H22 | H24 | 120.0° | 120.0° |
| C32 | C33 | H23 | H24 | 120.0° | 120.0° |
| C33 | C32 | C34 | H25 | 1.0° | 180.0° |
| C33 | C32 | C34 | H26 | 119.0° | 60.1° |
| C33 | C32 | C34 | H27 | 121.0° | 60.0° |
| H1 | C21 | C22 | H3 | 145.6° | 164.8° |
| H2 | C21 | C22 | H3 | 92.4° | 75.2° |
| H4 | C24 | C25 | H12 | 7.2° | 180.0° |
| H4 | C24 | C25 | H13 | 112.0° | 60.0° |
| H5 | C24 | C25 | H12 | 115.6° | 60.0° |
| H5 | C24 | C25 | H13 | 125.2° | 179.9° |
| H6 | C26 | C25 | H12 | 82.1° | 178.9° |
| H6 | C26 | C25 | H13 | 158.7° | 59.0° |
| H8 | C28 | H9 | H10 | 120.0° | 120.1° |
| H15 | C29 | C30 | H17 | 113.9° | 180.0° |
| H15 | C29 | C30 | H18 | 125.6° | 60.1° |
| H16 | C29 | C30 | H17 | 6.6° | 60.0° |
| H16 | C29 | C30 | H18 | 113.8° | 180.0° |
| H17 | C30 | C31 | H19 | 103.4° | 178.1° |
| H18 | C30 | C31 | H19 | 136.2° | 58.0° |
| H22 | C33 | H23 | H24 | 120.0° | 120.0° |
| H25 | C34 | H26 | H27 | 120.0° | 119.9° |
| H28 | C35 | H29 | H30 | 120.0° | 120.0° |
