A1EJD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | P17 | doub | 1.48Å | 1.52Å | |
| O14 | P11 | doub | 1.48Å | 1.51Å | |
| O13 | P11 | sing | 1.61Å | 1.52Å | |
| O18 | P17 | sing | 1.61Å | 1.51Å | |
| O26 | P23 | doub | 1.48Å | 1.51Å | |
| P17 | O19 | sing | 1.61Å | 1.52Å | |
| P17 | O16 | sing | 1.61Å | 1.63Å | |
| P11 | O10 | sing | 1.61Å | 1.62Å | |
| P11 | O12 | sing | 1.61Å | 1.51Å | |
| O10 | C9 | sing | 1.43Å | 1.43Å | |
| O16 | C15 | sing | 1.43Å | 1.44Å | |
| C15 | C21 | sing | 1.55Å | 1.52Å | |
| C15 | C8 | sing | 1.55Å | 1.53Å | |
| P23 | O24 | sing | 1.61Å | 1.51Å | |
| P23 | O22 | sing | 1.61Å | 1.62Å | |
| P23 | O25 | sing | 1.61Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| O22 | C21 | sing | 1.43Å | 1.44Å | |
| C21 | C6 | sing | 1.54Å | 1.53Å | |
| C8 | O7 | sing | 1.44Å | 1.44Å | |
| O7 | C6 | sing | 1.44Å | 1.42Å | |
| C6 | N5 | sing | 1.46Å | 1.47Å | |
| C4 | N5 | sing | 1.37Å | 1.38Å | |
| C4 | C3 | doub | 1.35Å | 1.35Å | |
| N5 | C27 | sing | 1.35Å | 1.38Å | |
| C3 | C2 | sing | 1.42Å | 1.44Å | |
| C27 | O28 | doub | 1.22Å | 1.22Å | |
| C27 | N29 | sing | 1.35Å | 1.37Å | |
| C2 | N29 | sing | 1.35Å | 1.37Å | |
| C2 | O1 | doub | 1.22Å | 1.24Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| N29 | H9 | sing | 0.97Å | 1.00Å | |
| O12 | H10 | sing | 0.97Å | 0.95Å | |
| O13 | H11 | sing | 0.97Å | 0.95Å | |
| O18 | H12 | sing | 0.97Å | 0.95Å | |
| O19 | H13 | sing | 0.97Å | 0.95Å | |
| O24 | H14 | sing | 0.97Å | 0.95Å | |
| O25 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | P17 | O18 | 112.3° | 109.5° |
| O20 | P17 | O19 | 112.5° | 109.4° |
| O20 | P17 | O16 | 106.9° | 109.5° |
| O14 | P11 | O13 | 113.1° | 109.5° |
| O14 | P11 | O10 | 104.2° | 109.5° |
| O14 | P11 | O12 | 113.3° | 109.5° |
| O13 | P11 | O10 | 107.3° | 109.5° |
| O13 | P11 | O12 | 113.7° | 109.5° |
| P11 | O13 | H11 | 109.5° | 114.0° |
| O18 | P17 | O19 | 112.5° | 109.5° |
| O18 | P17 | O16 | 107.1° | 109.5° |
| P17 | O18 | H12 | 109.5° | 114.0° |
| O26 | P23 | O24 | 113.7° | 109.5° |
| O26 | P23 | O22 | 104.2° | 109.5° |
| O26 | P23 | O25 | 113.7° | 109.5° |
| O19 | P17 | O16 | 104.8° | 109.5° |
| P17 | O19 | H13 | 109.5° | 114.0° |
| P17 | O16 | C15 | 123.9° | 123.0° |
| O10 | P11 | O12 | 104.2° | 109.5° |
| P11 | O10 | C9 | 116.6° | 123.0° |
| P11 | O12 | H10 | 109.5° | 114.0° |
| O10 | C9 | C8 | 109.2° | 109.5° |
| O10 | C9 | H7 | 109.5° | 109.5° |
| O10 | C9 | H8 | 109.5° | 109.5° |
| O16 | C15 | C21 | 108.4° | 110.9° |
| O16 | C15 | C8 | 118.9° | 110.9° |
| O16 | C15 | H4 | 110.4° | 110.8° |
| C21 | C15 | C8 | 100.1° | 102.1° |
| C15 | C21 | O22 | 112.9° | 110.5° |
| C15 | C21 | C6 | 100.4° | 104.2° |
| C21 | C15 | H4 | 109.2° | 110.9° |
| C15 | C21 | H5 | 111.4° | 110.5° |
| C15 | C8 | C9 | 116.9° | 110.9° |
| C15 | C8 | O7 | 102.6° | 103.5° |
| C15 | C8 | H3 | 109.6° | 110.5° |
| C8 | C15 | H4 | 109.2° | 110.9° |
| O24 | P23 | O22 | 108.7° | 109.5° |
| O24 | P23 | O25 | 113.8° | 109.5° |
| P23 | O24 | H14 | 109.5° | 114.0° |
| O22 | P23 | O25 | 101.3° | 109.4° |
| P23 | O22 | C21 | 120.7° | 123.0° |
| P23 | O25 | H15 | 109.5° | 114.0° |
| C9 | C8 | O7 | 106.8° | 110.6° |
| C9 | C8 | H3 | 109.8° | 110.5° |
| C8 | C9 | H7 | 109.5° | 109.4° |
| C8 | C9 | H8 | 109.5° | 109.5° |
| O22 | C21 | C6 | 107.4° | 110.5° |
| O22 | C21 | H5 | 112.7° | 110.5° |
| C21 | C6 | O7 | 107.0° | 107.4° |
| C21 | C6 | N5 | 116.8° | 109.9° |
| C21 | C6 | H2 | 107.4° | 109.9° |
| C6 | C21 | H5 | 111.3° | 110.5° |
| C8 | O7 | C6 | 109.2° | 107.0° |
| O7 | C8 | H3 | 110.8° | 110.6° |
| O7 | C6 | N5 | 108.7° | 109.9° |
| O7 | C6 | H2 | 108.8° | 109.9° |
| C6 | N5 | C4 | 121.7° | 119.7° |
| C6 | N5 | C27 | 116.7° | 119.7° |
| N5 | C6 | H2 | 108.0° | 109.9° |
| N5 | C4 | C3 | 121.9° | 119.7° |
| C4 | N5 | C27 | 121.5° | 120.6° |
| N5 | C4 | H1 | 119.0° | 120.2° |
| C4 | C3 | C2 | 119.6° | 119.1° |
| C3 | C4 | H1 | 119.1° | 120.1° |
| C4 | C3 | H6 | 120.2° | 120.5° |
| N5 | C27 | O28 | 123.1° | 119.5° |
| N5 | C27 | N29 | 115.1° | 120.9° |
| C3 | C2 | N29 | 114.9° | 119.4° |
| C3 | C2 | O1 | 126.0° | 120.3° |
| C2 | C3 | H6 | 120.2° | 120.4° |
| O28 | C27 | N29 | 121.8° | 119.6° |
| C27 | N29 | C2 | 126.8° | 120.3° |
| C27 | N29 | H9 | 116.5° | 119.9° |
| N29 | C2 | O1 | 119.1° | 120.4° |
| C2 | N29 | H9 | 116.6° | 119.8° |
| H7 | C9 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | P17 | O18 | O19 | 128.2° | 120.0° |
| O20 | P17 | O18 | O16 | 117.1° | 120.0° |
| O20 | P17 | O19 | O16 | 115.9° | 120.0° |
| O20 | P17 | O16 | C15 | 53.7° | 55.0° |
| O20 | P17 | O18 | H12 | 0.0° | 60.1° |
| O20 | P17 | O19 | H13 | 0.0° | 180.0° |
| O14 | P11 | O13 | O10 | 114.3° | 120.0° |
| O14 | P11 | O13 | O12 | 131.0° | 120.0° |
| O14 | P11 | O10 | O12 | 119.0° | 120.0° |
| O14 | P11 | O10 | C9 | 140.4° | 55.0° |
| O14 | P11 | O12 | H10 | 0.0° | 60.0° |
| O14 | P11 | O13 | H11 | 0.0° | 179.9° |
| O13 | P11 | O10 | O12 | 120.9° | 120.0° |
| O13 | P11 | O10 | C9 | 99.5° | 65.0° |
| O13 | P11 | O12 | H10 | 130.9° | 60.0° |
| O18 | P17 | O19 | O16 | 116.1° | 120.0° |
| O18 | P17 | O16 | C15 | 66.9° | 175.0° |
| O18 | P17 | O19 | H13 | 128.1° | 60.0° |
| O26 | P23 | O24 | O22 | 115.6° | 120.0° |
| O26 | P23 | O24 | O25 | 132.4° | 120.0° |
| O26 | P23 | O22 | O25 | 118.3° | 120.0° |
| O26 | P23 | O22 | C21 | 94.4° | 55.0° |
| O26 | P23 | O24 | H14 | 0.0° | 180.0° |
| O26 | P23 | O25 | H15 | 0.0° | 60.0° |
| O19 | P17 | O16 | C15 | 173.4° | 65.0° |
| O19 | P17 | O18 | H12 | 128.2° | 59.9° |
| P17 | O16 | C15 | C21 | 144.2° | 120.0° |
| P17 | O16 | C15 | C8 | 102.5° | 127.3° |
| P17 | O16 | C15 | H4 | 24.7° | 3.7° |
| O16 | P17 | O18 | H12 | 117.1° | 179.9° |
| O16 | P17 | O19 | H13 | 115.8° | 60.1° |
| P11 | O10 | C9 | C8 | 148.4° | 180.0° |
| P11 | O10 | C9 | H7 | 91.6° | 60.0° |
| P11 | O10 | C9 | H8 | 28.5° | 60.0° |
| O10 | P11 | O12 | H10 | 112.5° | 180.0° |
| O10 | P11 | O13 | H11 | 114.3° | 60.0° |
| O12 | P11 | O10 | C9 | 21.4° | 175.0° |
| O12 | P11 | O13 | H11 | 131.0° | 59.9° |
| O10 | C9 | C8 | C15 | 47.2° | 179.3° |
| O10 | C9 | C8 | H7 | 120.0° | 120.0° |
| O10 | C9 | C8 | H8 | 120.0° | 120.0° |
| O10 | C9 | C8 | O7 | 161.3° | 66.5° |
| O10 | C9 | C8 | H3 | 78.4° | 56.4° |
| O10 | C9 | H7 | H8 | 120.1° | 120.0° |
| O16 | C15 | C21 | C8 | 125.2° | 118.2° |
| O16 | C15 | C21 | H4 | 120.3° | 123.6° |
| O16 | C15 | C8 | H4 | 127.8° | 123.6° |
| O16 | C15 | C8 | C9 | 169.4° | 86.3° |
| O16 | C15 | C21 | O22 | 30.4° | 20.4° |
| O16 | C15 | C21 | C6 | 83.7° | 139.1° |
| O16 | C15 | C8 | O7 | 74.1° | 155.2° |
| O16 | C15 | C8 | H3 | 43.7° | 36.7° |
| O16 | C15 | C21 | H5 | 158.4° | 102.2° |
| C21 | C15 | C8 | H4 | 114.6° | 118.2° |
| C15 | C21 | O22 | P23 | 123.0° | 120.0° |
| C21 | C15 | C8 | C9 | 72.9° | 155.5° |
| C15 | C21 | O22 | C6 | 109.7° | 114.8° |
| C15 | C21 | O22 | H5 | 127.3° | 122.6° |
| C15 | C21 | C6 | H5 | 118.0° | 118.7° |
| C21 | C15 | C8 | O7 | 43.6° | 37.0° |
| C15 | C21 | C6 | O7 | 26.1° | 2.0° |
| C15 | C21 | C6 | N5 | 148.0° | 121.5° |
| C15 | C21 | C6 | H2 | 90.5° | 117.5° |
| C21 | C15 | C8 | H3 | 161.4° | 81.5° |
| C15 | C8 | C9 | O7 | 114.1° | 114.2° |
| C15 | C8 | C9 | H3 | 125.6° | 123.0° |
| C8 | C15 | C21 | O22 | 155.6° | 97.8° |
| C8 | C15 | C21 | C6 | 41.5° | 20.9° |
| C15 | C8 | O7 | H3 | 116.9° | 118.4° |
| C15 | C8 | O7 | C6 | 28.3° | 39.9° |
| C8 | C15 | C21 | H5 | 76.5° | 139.6° |
| C15 | C8 | C9 | H7 | 167.2° | 59.3° |
| C15 | C8 | C9 | H8 | 72.8° | 60.6° |
| O24 | P23 | O22 | O25 | 120.2° | 120.0° |
| O24 | P23 | O22 | C21 | 27.2° | 65.0° |
| O24 | P23 | O25 | H15 | 132.4° | 60.0° |
| P23 | O22 | C21 | C6 | 127.2° | 125.3° |
| P23 | O22 | C21 | H5 | 4.3° | 2.7° |
| O22 | P23 | O24 | H14 | 115.6° | 59.9° |
| O22 | P23 | O25 | H15 | 111.1° | 180.0° |
| O25 | P23 | O22 | C21 | 147.4° | 175.0° |
| O25 | P23 | O24 | H14 | 132.4° | 60.1° |
| C9 | C8 | O7 | H3 | 119.6° | 122.8° |
| C9 | C8 | O7 | C6 | 95.2° | 158.8° |
| C9 | C8 | C15 | H4 | 41.7° | 37.4° |
| C8 | C9 | H7 | H8 | 120.1° | 120.0° |
| O22 | C21 | C6 | H5 | 123.8° | 122.6° |
| O22 | C21 | C6 | O7 | 144.3° | 120.7° |
| O22 | C21 | C6 | N5 | 93.8° | 119.8° |
| O22 | C21 | C6 | H2 | 27.6° | 1.2° |
| O22 | C21 | C15 | H4 | 89.9° | 144.0° |
| C21 | C6 | O7 | C8 | 1.3° | 26.5° |
| C21 | C6 | O7 | N5 | 126.9° | 119.5° |
| C21 | C6 | O7 | H2 | 115.7° | 119.5° |
| C21 | C6 | N5 | H2 | 121.1° | 121.0° |
| C21 | C6 | N5 | C4 | 53.4° | 115.3° |
| C21 | C6 | N5 | C27 | 130.4° | 64.7° |
| C6 | C21 | C15 | H4 | 156.1° | 97.3° |
| C8 | O7 | C6 | N5 | 125.6° | 145.9° |
| C8 | O7 | C6 | H2 | 117.0° | 93.0° |
| O7 | C8 | C15 | H4 | 158.1° | 81.2° |
| O7 | C8 | C9 | H7 | 78.7° | 173.5° |
| O7 | C8 | C9 | H8 | 41.4° | 53.6° |
| O7 | C6 | N5 | H2 | 117.8° | 121.1° |
| O7 | C6 | N5 | C4 | 67.7° | 126.7° |
| O7 | C6 | N5 | C27 | 108.5° | 53.3° |
| C6 | O7 | C8 | H3 | 145.2° | 78.5° |
| O7 | C6 | C21 | H5 | 91.9° | 116.8° |
| C6 | N5 | C4 | C27 | 176.1° | 180.0° |
| C6 | N5 | C4 | C3 | 174.4° | 180.0° |
| C6 | N5 | C27 | O28 | 4.3° | 0.1° |
| C6 | N5 | C27 | N29 | 174.7° | 180.0° |
| C6 | N5 | C4 | H1 | 5.6° | 0.3° |
| N5 | C6 | C21 | H5 | 30.0° | 2.7° |
| N5 | C4 | C3 | H1 | 180.0° | 179.7° |
| N5 | C4 | C3 | C2 | 1.3° | 0.0° |
| C4 | N5 | C27 | O28 | 179.5° | 179.9° |
| C4 | N5 | C27 | N29 | 1.5° | 0.0° |
| C4 | N5 | C6 | H2 | 174.4° | 5.6° |
| N5 | C4 | C3 | H6 | 178.8° | 180.0° |
| C3 | C4 | N5 | C27 | 1.6° | 0.0° |
| C4 | C3 | C2 | H6 | 180.0° | 180.0° |
| C4 | C3 | C2 | N29 | 0.8° | 0.0° |
| C4 | C3 | C2 | O1 | 178.5° | 180.0° |
| N5 | C27 | O28 | N29 | 179.0° | 179.9° |
| N5 | C27 | N29 | C2 | 1.2° | 0.0° |
| C27 | N5 | C4 | H1 | 178.4° | 179.7° |
| C27 | N5 | C6 | H2 | 9.3° | 174.3° |
| N5 | C27 | N29 | H9 | 178.9° | 179.9° |
| C3 | C2 | N29 | C27 | 0.8° | 0.0° |
| C3 | C2 | N29 | O1 | 179.3° | 180.0° |
| C2 | C3 | C4 | H1 | 178.7° | 179.7° |
| C3 | C2 | N29 | H9 | 179.2° | 180.0° |
| O28 | C27 | N29 | C2 | 179.8° | 179.9° |
| O28 | C27 | N29 | H9 | 0.2° | 0.0° |
| C27 | N29 | C2 | H9 | 180.0° | 179.9° |
| C27 | N29 | C2 | O1 | 178.5° | 180.0° |
| N29 | C2 | C3 | H6 | 179.2° | 180.0° |
| O1 | C2 | C3 | H6 | 1.5° | 0.0° |
| O1 | C2 | N29 | H9 | 1.5° | 0.0° |
| H1 | C4 | C3 | H6 | 1.2° | 0.3° |
| H2 | C6 | C21 | H5 | 151.4° | 123.7° |
| H3 | C8 | C15 | H4 | 84.1° | 160.3° |
| H3 | C8 | C9 | H7 | 41.5° | 63.6° |
| H3 | C8 | C9 | H8 | 161.6° | 176.4° |
| H4 | C15 | C21 | H5 | 38.1° | 21.4° |
