A1ESL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | P10 | doub | 1.48Å | 1.51Å | |
| O13 | P10 | sing | 1.61Å | 1.51Å | |
| P10 | O11 | sing | 1.61Å | 1.51Å | |
| P10 | O9 | sing | 1.61Å | 1.62Å | |
| O29 | C28 | doub | 1.21Å | 1.26Å | |
| C28 | O30 | sing | 1.34Å | 1.25Å | |
| C28 | C27 | sing | 1.51Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| O9 | C8 | sing | 1.43Å | 1.43Å | |
| C8 | C7 | sing | 1.53Å | 1.50Å | |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| C31 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | sing | 1.54Å | 1.53Å | |
| C7 | O6 | sing | 1.44Å | 1.44Å | |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | O1 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.55Å | 1.54Å | |
| C32 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| O6 | C5 | sing | 1.44Å | 1.41Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C5 | sing | 1.55Å | 1.53Å | |
| C3 | O4 | sing | 1.43Å | 1.42Å | |
| C22 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C16 | sing | 1.48Å | 1.48Å | |
| C15 | C16 | doub | 1.36Å | 1.35Å | |
| C15 | N14 | sing | 1.37Å | 1.37Å | |
| C5 | N14 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.47Å | 1.45Å | |
| N14 | C20 | sing | 1.34Å | 1.38Å | |
| C17 | O18 | doub | 1.22Å | 1.22Å | |
| C17 | N19 | sing | 1.35Å | 1.38Å | |
| C20 | N19 | sing | 1.34Å | 1.37Å | |
| C20 | O21 | doub | 1.22Å | 1.22Å | |
| O30 | H1 | sing | 0.97Å | 0.95Å | |
| C27 | H2 | sing | 1.09Å | 1.10Å | |
| C27 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.08Å | 1.08Å | |
| C31 | H8 | sing | 1.08Å | 1.08Å | |
| C32 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| N19 | H11 | sing | 0.97Å | 1.00Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| O4 | H14 | sing | 0.97Å | 0.95Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| O1 | H17 | sing | 0.97Å | 0.95Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| O11 | H20 | sing | 0.97Å | 0.95Å | |
| O13 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | P10 | O13 | 113.1° | 109.5° |
| O12 | P10 | O11 | 112.7° | 109.4° |
| O12 | P10 | O9 | 105.8° | 109.5° |
| O13 | P10 | O11 | 113.1° | 109.5° |
| O13 | P10 | O9 | 105.6° | 109.5° |
| P10 | O13 | H21 | 109.5° | 114.0° |
| O11 | P10 | O9 | 105.7° | 109.5° |
| P10 | O11 | H20 | 109.5° | 114.0° |
| P10 | O9 | C8 | 118.3° | 123.0° |
| O29 | C28 | O30 | 124.9° | 120.0° |
| O29 | C28 | C27 | 117.6° | 120.0° |
| O30 | C28 | C27 | 117.5° | 120.0° |
| C28 | O30 | H1 | 109.5° | 117.0° |
| C28 | C27 | C26 | 112.0° | 109.5° |
| C28 | C27 | H2 | 108.9° | 109.5° |
| C28 | C27 | H3 | 108.9° | 109.5° |
| C27 | C26 | C25 | 112.3° | 109.5° |
| C26 | C27 | H2 | 108.8° | 109.5° |
| C26 | C27 | H3 | 108.8° | 109.5° |
| C27 | C26 | H4 | 108.8° | 109.5° |
| C27 | C26 | H5 | 108.8° | 109.5° |
| O9 | C8 | C7 | 107.8° | 109.5° |
| O9 | C8 | H18 | 109.9° | 109.5° |
| O9 | C8 | H19 | 109.9° | 109.5° |
| C8 | C7 | C2 | 114.6° | 109.9° |
| C8 | C7 | O6 | 109.4° | 109.8° |
| C8 | C7 | H15 | 108.9° | 110.0° |
| C7 | C8 | H18 | 109.9° | 109.5° |
| C7 | C8 | H19 | 109.9° | 109.4° |
| C26 | C25 | C31 | 121.0° | 119.9° |
| C26 | C25 | C24 | 120.8° | 119.9° |
| C25 | C26 | H4 | 108.8° | 109.4° |
| C25 | C26 | H5 | 108.8° | 109.5° |
| C25 | C31 | C32 | 121.1° | 120.1° |
| C31 | C25 | C24 | 118.2° | 120.2° |
| C25 | C31 | H8 | 119.5° | 119.9° |
| C31 | C32 | C22 | 120.6° | 119.9° |
| C32 | C31 | H8 | 119.5° | 120.0° |
| C31 | C32 | H9 | 119.7° | 120.1° |
| C2 | C7 | O6 | 105.5° | 107.3° |
| C7 | C2 | O1 | 111.1° | 110.5° |
| C7 | C2 | C3 | 104.3° | 104.2° |
| C2 | C7 | H15 | 108.6° | 109.9° |
| C7 | C2 | H16 | 109.0° | 110.5° |
| C7 | O6 | C5 | 106.6° | 106.9° |
| O6 | C7 | H15 | 109.8° | 109.9° |
| C25 | C24 | C23 | 121.0° | 120.1° |
| C25 | C24 | H6 | 119.5° | 119.9° |
| O1 | C2 | C3 | 112.7° | 110.5° |
| O1 | C2 | H16 | 110.5° | 110.4° |
| C2 | O1 | H17 | 109.5° | 114.0° |
| C2 | C3 | C5 | 103.8° | 102.1° |
| C2 | C3 | O4 | 112.8° | 110.9° |
| C2 | C3 | H13 | 109.1° | 111.0° |
| C3 | C2 | H16 | 108.9° | 110.6° |
| C32 | C22 | C23 | 118.4° | 119.7° |
| C32 | C22 | C16 | 120.9° | 120.1° |
| C22 | C32 | H9 | 119.7° | 120.0° |
| O6 | C5 | C3 | 106.1° | 103.6° |
| O6 | C5 | N14 | 108.1° | 110.6° |
| O6 | C5 | H12 | 111.0° | 110.6° |
| C24 | C23 | C22 | 120.7° | 119.9° |
| C23 | C24 | H6 | 119.5° | 120.0° |
| C24 | C23 | H7 | 119.6° | 120.1° |
| C5 | C3 | O4 | 111.0° | 110.9° |
| C3 | C5 | N14 | 112.3° | 110.6° |
| C3 | C5 | H12 | 109.2° | 110.7° |
| C5 | C3 | H13 | 109.2° | 110.9° |
| O4 | C3 | H13 | 110.8° | 110.8° |
| C3 | O4 | H14 | 109.5° | 114.0° |
| C23 | C22 | C16 | 120.7° | 120.1° |
| C22 | C23 | H7 | 119.6° | 120.0° |
| C22 | C16 | C15 | 120.9° | 120.8° |
| C22 | C16 | C17 | 120.8° | 120.8° |
| C16 | C15 | N14 | 123.3° | 119.4° |
| C15 | C16 | C17 | 118.2° | 118.3° |
| C16 | C15 | H10 | 118.4° | 120.3° |
| C15 | N14 | C5 | 121.0° | 119.3° |
| C15 | N14 | C20 | 121.4° | 121.4° |
| N14 | C15 | H10 | 118.3° | 120.3° |
| C5 | N14 | C20 | 117.7° | 119.3° |
| N14 | C5 | H12 | 110.2° | 110.5° |
| C16 | C17 | O18 | 124.7° | 120.7° |
| C16 | C17 | N19 | 115.0° | 118.6° |
| N14 | C20 | N19 | 115.0° | 121.8° |
| N14 | C20 | O21 | 122.9° | 119.1° |
| O18 | C17 | N19 | 120.2° | 120.7° |
| C17 | N19 | C20 | 127.1° | 120.4° |
| C17 | N19 | H11 | 116.4° | 119.8° |
| N19 | C20 | O21 | 122.2° | 119.1° |
| C20 | N19 | H11 | 116.5° | 119.8° |
| H2 | C27 | H3 | 109.5° | 109.4° |
| H4 | C26 | H5 | 109.5° | 109.5° |
| H18 | C8 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | P10 | O13 | O11 | 129.6° | 119.9° |
| O12 | P10 | O13 | O9 | 115.2° | 120.1° |
| O12 | P10 | O11 | O9 | 115.2° | 120.0° |
| O12 | P10 | O9 | C8 | 68.5° | 55.0° |
| O12 | P10 | O11 | H20 | 0.0° | 60.0° |
| O12 | P10 | O13 | H21 | 0.0° | 180.0° |
| O13 | P10 | O11 | O9 | 115.1° | 120.0° |
| O13 | P10 | O9 | C8 | 51.6° | 65.0° |
| O13 | P10 | O11 | H20 | 129.8° | 59.9° |
| O11 | P10 | O9 | C8 | 171.7° | 175.0° |
| O11 | P10 | O13 | H21 | 129.6° | 60.0° |
| P10 | O9 | C8 | C7 | 174.5° | 180.0° |
| P10 | O9 | C8 | H18 | 65.7° | 60.0° |
| P10 | O9 | C8 | H19 | 54.8° | 60.1° |
| O9 | P10 | O11 | H20 | 115.1° | 179.9° |
| O9 | P10 | O13 | H21 | 115.2° | 60.0° |
| O29 | C28 | O30 | C27 | 179.6° | 179.9° |
| O29 | C28 | C27 | C26 | 102.1° | 0.0° |
| O29 | C28 | O30 | H1 | 0.0° | 0.1° |
| O29 | C28 | C27 | H2 | 137.5° | 120.0° |
| O29 | C28 | C27 | H3 | 18.3° | 120.0° |
| O30 | C28 | C27 | C26 | 77.5° | 179.9° |
| O30 | C28 | C27 | H2 | 42.8° | 60.0° |
| O30 | C28 | C27 | H3 | 162.1° | 60.0° |
| C28 | C27 | C26 | H2 | 120.4° | 120.0° |
| C28 | C27 | C26 | H3 | 120.4° | 120.0° |
| C28 | C27 | C26 | C25 | 86.6° | 180.0° |
| C27 | C28 | O30 | H1 | 179.6° | 180.0° |
| C28 | C27 | H2 | H3 | 118.9° | 120.0° |
| C28 | C27 | C26 | H4 | 33.9° | 60.0° |
| C28 | C27 | C26 | H5 | 153.1° | 60.0° |
| C27 | C26 | C25 | H4 | 120.5° | 120.0° |
| C27 | C26 | C25 | H5 | 120.4° | 120.0° |
| C27 | C26 | C25 | C31 | 7.8° | 90.2° |
| C27 | C26 | C25 | C24 | 172.5° | 90.0° |
| C26 | C27 | H2 | H3 | 118.8° | 120.0° |
| C27 | C26 | H4 | H5 | 118.7° | 120.0° |
| O9 | C8 | C7 | H18 | 119.8° | 120.0° |
| O9 | C8 | C7 | H19 | 119.7° | 120.0° |
| O9 | C8 | C7 | C2 | 163.9° | 175.0° |
| O9 | C8 | C7 | O6 | 77.9° | 67.2° |
| O9 | C8 | C7 | H15 | 42.1° | 53.9° |
| O9 | C8 | H18 | H19 | 120.8° | 120.0° |
| C8 | C7 | C2 | O6 | 120.4° | 119.4° |
| C8 | C7 | C2 | H15 | 121.9° | 121.2° |
| C8 | C7 | O6 | H15 | 119.4° | 121.1° |
| C8 | C7 | C2 | O1 | 98.3° | 119.9° |
| C8 | C7 | C2 | C3 | 139.9° | 121.4° |
| C8 | C7 | O6 | C5 | 159.6° | 145.8° |
| C8 | C7 | C2 | H16 | 23.8° | 2.6° |
| C7 | C8 | H18 | H19 | 120.8° | 120.0° |
| C26 | C25 | C31 | C24 | 179.7° | 179.8° |
| C26 | C25 | C31 | C32 | 179.6° | 180.0° |
| C26 | C25 | C24 | C23 | 179.7° | 180.0° |
| C25 | C26 | C27 | H2 | 153.0° | 60.0° |
| C25 | C26 | C27 | H3 | 33.8° | 60.0° |
| C25 | C26 | H4 | H5 | 118.7° | 120.0° |
| C26 | C25 | C24 | H6 | 0.3° | 0.0° |
| C26 | C25 | C31 | H8 | 0.4° | 0.1° |
| C25 | C31 | C32 | H8 | 180.0° | 179.9° |
| C25 | C31 | C32 | C22 | 0.1° | 0.1° |
| C31 | C25 | C24 | C23 | 0.0° | 0.3° |
| C31 | C25 | C26 | H4 | 128.3° | 149.7° |
| C31 | C25 | C26 | H5 | 112.6° | 29.8° |
| C31 | C25 | C24 | H6 | 180.0° | 179.8° |
| C25 | C31 | C32 | H9 | 179.9° | 180.0° |
| C32 | C31 | C25 | C24 | 0.1° | 0.2° |
| C31 | C32 | C22 | H9 | 180.0° | 179.9° |
| C31 | C32 | C22 | C23 | 0.0° | 0.4° |
| C31 | C32 | C22 | C16 | 177.4° | 180.0° |
| C2 | C7 | O6 | H15 | 116.8° | 119.5° |
| C7 | C2 | O1 | C3 | 116.7° | 114.8° |
| C7 | C2 | O1 | H16 | 121.2° | 122.5° |
| C7 | C2 | C3 | H16 | 116.3° | 118.7° |
| C2 | C7 | O6 | C5 | 35.8° | 26.4° |
| C7 | C2 | C3 | C5 | 2.1° | 20.8° |
| C7 | C2 | C3 | O4 | 122.2° | 139.0° |
| C7 | C2 | C3 | H13 | 114.3° | 97.4° |
| C7 | C2 | O1 | H17 | 180.0° | 180.0° |
| C2 | C7 | C8 | H18 | 76.4° | 55.0° |
| C2 | C7 | C8 | H19 | 44.1° | 65.0° |
| O6 | C7 | C2 | O1 | 141.3° | 120.8° |
| O6 | C7 | C2 | C3 | 19.5° | 2.0° |
| C7 | O6 | C5 | C3 | 37.4° | 40.0° |
| C7 | O6 | C5 | N14 | 158.0° | 158.6° |
| C7 | O6 | C5 | H12 | 81.1° | 78.6° |
| O6 | C7 | C2 | H16 | 96.6° | 116.8° |
| O6 | C7 | C8 | H18 | 41.9° | 172.8° |
| O6 | C7 | C8 | H19 | 162.4° | 52.8° |
| C25 | C24 | C23 | H6 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.1° | 0.0° |
| C24 | C25 | C26 | H4 | 52.0° | 30.1° |
| C24 | C25 | C26 | H5 | 67.1° | 150.0° |
| C25 | C24 | C23 | H7 | 179.9° | 180.0° |
| C24 | C25 | C31 | H8 | 179.9° | 179.7° |
| O1 | C2 | C3 | H16 | 123.0° | 122.6° |
| O1 | C2 | C3 | C5 | 118.6° | 97.9° |
| O1 | C2 | C3 | O4 | 1.5° | 20.3° |
| O1 | C2 | C3 | H13 | 125.1° | 143.9° |
| O1 | C2 | C7 | H15 | 23.6° | 1.3° |
| C2 | C3 | C5 | O6 | 23.6° | 37.0° |
| C2 | C3 | C5 | O4 | 121.4° | 118.2° |
| C2 | C3 | C5 | H13 | 116.2° | 118.3° |
| C2 | C3 | O4 | H13 | 122.6° | 123.7° |
| C2 | C3 | C5 | N14 | 141.4° | 155.6° |
| C2 | C3 | C5 | H12 | 96.1° | 81.6° |
| C2 | C3 | O4 | H14 | 180.0° | 67.3° |
| C3 | C2 | C7 | H15 | 98.1° | 117.4° |
| C3 | C2 | O1 | H17 | 63.3° | 65.2° |
| C32 | C22 | C23 | C24 | 0.1° | 0.3° |
| C32 | C22 | C23 | C16 | 177.4° | 179.7° |
| C32 | C22 | C16 | C15 | 37.0° | 115.3° |
| C32 | C22 | C16 | C17 | 147.8° | 65.0° |
| C32 | C22 | C23 | H7 | 179.9° | 179.7° |
| C22 | C32 | C31 | H8 | 179.9° | 180.0° |
| O6 | C5 | C3 | N14 | 117.8° | 118.5° |
| O6 | C5 | C3 | H12 | 119.7° | 118.6° |
| O6 | C5 | C3 | O4 | 145.0° | 155.2° |
| O6 | C5 | N14 | C15 | 53.5° | 128.6° |
| O6 | C5 | N14 | H12 | 121.4° | 122.9° |
| O6 | C5 | N14 | C20 | 127.1° | 51.4° |
| O6 | C5 | C3 | H13 | 92.7° | 81.3° |
| C5 | O6 | C7 | H15 | 81.0° | 93.0° |
| C24 | C23 | C22 | H7 | 180.0° | 180.0° |
| C24 | C23 | C22 | C16 | 177.4° | 179.9° |
| C5 | C3 | O4 | H13 | 121.5° | 123.6° |
| C3 | C5 | N14 | C15 | 63.2° | 117.2° |
| C3 | C5 | N14 | H12 | 122.0° | 122.9° |
| C3 | C5 | N14 | C20 | 116.3° | 62.9° |
| C5 | C3 | O4 | H14 | 64.1° | 180.0° |
| C5 | C3 | C2 | H16 | 118.3° | 139.6° |
| O4 | C3 | C5 | N14 | 97.2° | 86.3° |
| O4 | C3 | C5 | H12 | 25.3° | 36.5° |
| O4 | C3 | C2 | H16 | 121.5° | 102.3° |
| C23 | C22 | C16 | C15 | 140.3° | 65.0° |
| C23 | C22 | C16 | C17 | 34.8° | 114.7° |
| C22 | C23 | C24 | H6 | 179.9° | 180.0° |
| C23 | C22 | C32 | H9 | 180.0° | 179.8° |
| C22 | C16 | C15 | C17 | 175.3° | 179.7° |
| C22 | C16 | C15 | N14 | 173.7° | 180.0° |
| C22 | C16 | C17 | O18 | 7.4° | 0.1° |
| C22 | C16 | C17 | N19 | 173.6° | 180.0° |
| C16 | C22 | C23 | H7 | 2.6° | 0.0° |
| C16 | C22 | C32 | H9 | 2.6° | 0.1° |
| C22 | C16 | C15 | H10 | 6.4° | 0.1° |
| C16 | C15 | N14 | H10 | 180.0° | 180.0° |
| C16 | C15 | N14 | C5 | 178.6° | 180.0° |
| C16 | C15 | N14 | C20 | 0.9° | 0.0° |
| C15 | C16 | C17 | O18 | 177.3° | 179.8° |
| C15 | C16 | C17 | N19 | 1.7° | 0.2° |
| C15 | N14 | C5 | C20 | 179.4° | 180.0° |
| N14 | C15 | C16 | C17 | 1.6° | 0.3° |
| C15 | N14 | C20 | N19 | 0.1° | 0.3° |
| C15 | N14 | C20 | O21 | 179.5° | 180.0° |
| C15 | N14 | C5 | H12 | 174.8° | 5.7° |
| C5 | N14 | C20 | N19 | 179.3° | 179.7° |
| C5 | N14 | C20 | O21 | 1.1° | 0.1° |
| C5 | N14 | C15 | H10 | 1.5° | 0.0° |
| N14 | C5 | C3 | H13 | 25.2° | 37.3° |
| C16 | C17 | O18 | N19 | 178.9° | 180.0° |
| C16 | C17 | N19 | C20 | 1.1° | 0.1° |
| C17 | C16 | C15 | H10 | 178.3° | 179.8° |
| C16 | C17 | N19 | H11 | 178.9° | 180.0° |
| N14 | C20 | N19 | C17 | 0.3° | 0.3° |
| N14 | C20 | N19 | O21 | 179.6° | 179.6° |
| C20 | N14 | C15 | H10 | 179.1° | 179.9° |
| N14 | C20 | N19 | H11 | 179.7° | 179.7° |
| C20 | N14 | C5 | H12 | 5.7° | 174.2° |
| O18 | C17 | N19 | C20 | 177.9° | 179.9° |
| O18 | C17 | N19 | H11 | 2.1° | 0.0° |
| C17 | N19 | C20 | H11 | 180.0° | 179.9° |
| C17 | N19 | C20 | O21 | 179.3° | 180.0° |
| O21 | C20 | N19 | H11 | 0.7° | 0.1° |
| H2 | C27 | C26 | H4 | 86.5° | 180.0° |
| H2 | C27 | C26 | H5 | 32.7° | 60.0° |
| H3 | C27 | C26 | H4 | 154.3° | 60.0° |
| H3 | C27 | C26 | H5 | 86.6° | 180.0° |
| H6 | C24 | C23 | H7 | 0.1° | 0.0° |
| H8 | C31 | C32 | H9 | 0.1° | 0.1° |
| H12 | C5 | C3 | H13 | 147.7° | 160.1° |
| H13 | C3 | O4 | H14 | 57.4° | 56.4° |
| H13 | C3 | C2 | H16 | 2.0° | 21.3° |
| H15 | C7 | C2 | H16 | 145.7° | 123.8° |
| H15 | C7 | C8 | H18 | 161.9° | 66.1° |
| H15 | C7 | C8 | H19 | 77.6° | 173.9° |
| H16 | C2 | O1 | H17 | 58.8° | 57.5° |
