A1EE0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O26 | P24 | sing | 1.61Å | 1.51Å | |
| O23 | P24 | sing | 1.61Å | 1.52Å | |
| P24 | O27 | sing | 1.61Å | 1.65Å | |
| O27 | C28 | sing | 1.43Å | 1.41Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C31 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C34 | sing | 1.51Å | 1.53Å | |
| C32 | O33 | sing | 1.43Å | 1.40Å | |
| O35 | C34 | doub | 1.21Å | 1.19Å | |
| C34 | N36 | sing | 1.35Å | 1.45Å | |
| N36 | C37 | sing | 1.47Å | 1.46Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| O40 | C39 | doub | 1.21Å | 1.20Å | |
| C38 | C39 | sing | 1.51Å | 1.53Å | |
| C39 | N41 | sing | 1.35Å | 1.44Å | |
| N41 | C42 | sing | 1.47Å | 1.45Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C43 | S1 | sing | 1.81Å | 1.82Å | |
| S1 | C1 | sing | 1.71Å | 1.84Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C1 | O1 | doub | 1.21Å | 1.21Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| O3B | C3 | doub | 1.21Å | 1.27Å | |
| C3 | O3A | sing | 1.34Å | 1.26Å | |
| O26 | H1 | sing | 0.97Å | 0.95Å | |
| O23 | H2 | sing | 0.97Å | 0.95Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C30 | H5 | sing | 1.09Å | 1.10Å | |
| C30 | H6 | sing | 1.09Å | 1.10Å | |
| C30 | H7 | sing | 1.09Å | 1.10Å | |
| C31 | H8 | sing | 1.09Å | 1.10Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C32 | H11 | sing | 1.09Å | 1.10Å | |
| O33 | H12 | sing | 0.97Å | 0.95Å | |
| N36 | H13 | sing | 0.97Å | 1.00Å | |
| C37 | H14 | sing | 1.09Å | 1.10Å | |
| C37 | H15 | sing | 1.09Å | 1.10Å | |
| C38 | H16 | sing | 1.09Å | 1.10Å | |
| C38 | H17 | sing | 1.09Å | 1.10Å | |
| N41 | H18 | sing | 0.97Å | 1.00Å | |
| C42 | H19 | sing | 1.09Å | 1.10Å | |
| C42 | H20 | sing | 1.09Å | 1.10Å | |
| C43 | H21 | sing | 1.09Å | 1.10Å | |
| C43 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| O3A | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | P24 | O23 | 111.8° | 102.0° |
| O26 | P24 | O27 | 110.4° | 102.0° |
| P24 | O26 | H1 | 109.5° | 114.0° |
| O23 | P24 | O27 | 109.7° | 102.0° |
| P24 | O23 | H2 | 109.5° | 114.0° |
| P24 | O27 | C28 | 118.7° | 123.0° |
| O27 | C28 | C29 | 107.8° | 109.5° |
| O27 | C28 | H3 | 109.9° | 109.4° |
| O27 | C28 | H4 | 109.9° | 109.5° |
| C28 | C29 | C30 | 108.7° | 109.4° |
| C28 | C29 | C31 | 107.3° | 109.5° |
| C28 | C29 | C32 | 111.9° | 109.5° |
| C29 | C28 | H3 | 109.9° | 109.5° |
| C29 | C28 | H4 | 109.9° | 109.5° |
| C30 | C29 | C31 | 109.8° | 109.5° |
| C30 | C29 | C32 | 108.6° | 109.5° |
| C29 | C30 | H5 | 109.5° | 109.5° |
| C29 | C30 | H6 | 109.5° | 109.4° |
| C29 | C30 | H7 | 109.5° | 109.5° |
| C31 | C29 | C32 | 110.6° | 109.5° |
| C29 | C31 | H8 | 109.5° | 109.5° |
| C29 | C31 | H9 | 109.5° | 109.4° |
| C29 | C31 | H10 | 109.5° | 109.5° |
| C29 | C32 | C34 | 109.8° | 109.5° |
| C29 | C32 | O33 | 109.4° | 109.4° |
| C29 | C32 | H11 | 109.0° | 109.5° |
| C34 | C32 | O33 | 108.7° | 109.5° |
| C32 | C34 | O35 | 121.5° | 120.0° |
| C32 | C34 | N36 | 119.5° | 120.0° |
| C34 | C32 | H11 | 109.1° | 109.5° |
| O33 | C32 | H11 | 110.9° | 109.4° |
| C32 | O33 | H12 | 109.5° | 114.0° |
| O35 | C34 | N36 | 119.0° | 120.0° |
| C34 | N36 | C37 | 118.5° | 120.0° |
| C34 | N36 | H13 | 120.7° | 120.0° |
| N36 | C37 | C38 | 111.2° | 109.4° |
| C37 | N36 | H13 | 120.8° | 120.0° |
| N36 | C37 | H14 | 109.0° | 109.5° |
| N36 | C37 | H15 | 109.1° | 109.5° |
| C37 | C38 | C39 | 118.8° | 109.4° |
| C38 | C37 | H14 | 109.0° | 109.5° |
| C38 | C37 | H15 | 109.0° | 109.5° |
| C37 | C38 | H16 | 107.1° | 109.5° |
| C37 | C38 | H17 | 107.1° | 109.5° |
| O40 | C39 | C38 | 122.0° | 120.0° |
| O40 | C39 | N41 | 119.8° | 120.0° |
| C38 | C39 | N41 | 118.3° | 120.0° |
| C39 | C38 | H16 | 107.1° | 109.5° |
| C39 | C38 | H17 | 107.1° | 109.4° |
| C39 | N41 | C42 | 118.0° | 120.0° |
| C39 | N41 | H18 | 121.0° | 120.0° |
| N41 | C42 | C43 | 106.0° | 109.4° |
| C42 | N41 | H18 | 121.0° | 120.0° |
| N41 | C42 | H19 | 110.3° | 109.4° |
| N41 | C42 | H20 | 110.3° | 109.5° |
| C42 | C43 | S1 | 105.6° | 109.5° |
| C43 | C42 | H19 | 110.3° | 109.5° |
| C43 | C42 | H20 | 110.3° | 109.5° |
| C42 | C43 | H21 | 110.4° | 109.5° |
| C42 | C43 | H22 | 110.4° | 109.5° |
| C43 | S1 | C1 | 102.2° | 100.0° |
| S1 | C43 | H21 | 110.4° | 109.5° |
| S1 | C43 | H22 | 110.4° | 109.4° |
| S1 | C1 | C2 | 117.4° | 120.0° |
| S1 | C1 | O1 | 122.7° | 120.0° |
| C2 | C1 | O1 | 119.9° | 120.0° |
| C1 | C2 | C3 | 110.1° | 109.5° |
| C1 | C2 | H23 | 109.3° | 109.5° |
| C1 | C2 | H24 | 109.3° | 109.5° |
| C2 | C3 | O3B | 122.8° | 120.0° |
| C2 | C3 | O3A | 116.9° | 120.0° |
| C3 | C2 | H23 | 109.3° | 109.4° |
| C3 | C2 | H24 | 109.3° | 109.5° |
| O3B | C3 | O3A | 120.3° | 120.0° |
| C3 | O3A | H25 | 109.5° | 117.0° |
| H3 | C28 | H4 | 109.5° | 109.5° |
| H5 | C30 | H6 | 109.5° | 109.4° |
| H5 | C30 | H7 | 109.5° | 109.5° |
| H6 | C30 | H7 | 109.5° | 109.5° |
| H8 | C31 | H9 | 109.5° | 109.5° |
| H8 | C31 | H10 | 109.4° | 109.5° |
| H9 | C31 | H10 | 109.5° | 109.4° |
| H14 | C37 | H15 | 109.5° | 109.5° |
| H16 | C38 | H17 | 109.5° | 109.5° |
| H19 | C42 | H20 | 109.5° | 109.5° |
| H21 | C43 | H22 | 109.5° | 109.5° |
| H23 | C2 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | P24 | O23 | O27 | 122.8° | 105.2° |
| O26 | P24 | O27 | C28 | 175.5° | 165.0° |
| O26 | P24 | O23 | H2 | 180.0° | 74.8° |
| O23 | P24 | O27 | C28 | 60.9° | 89.8° |
| O23 | P24 | O26 | H1 | 180.0° | 74.8° |
| P24 | O27 | C28 | C29 | 177.7° | 180.0° |
| O27 | P24 | O26 | H1 | 57.6° | 180.0° |
| O27 | P24 | O23 | H2 | 57.3° | 180.0° |
| P24 | O27 | C28 | H3 | 62.5° | 60.0° |
| P24 | O27 | C28 | H4 | 58.0° | 60.0° |
| O27 | C28 | C29 | H3 | 119.8° | 120.0° |
| O27 | C28 | C29 | H4 | 119.7° | 120.0° |
| O27 | C28 | C29 | C30 | 57.6° | 60.0° |
| O27 | C28 | C29 | C31 | 61.0° | 60.0° |
| O27 | C28 | C29 | C32 | 177.5° | 180.0° |
| O27 | C28 | H3 | H4 | 120.8° | 120.0° |
| C28 | C29 | C30 | C31 | 117.1° | 120.0° |
| C28 | C29 | C30 | C32 | 121.9° | 120.0° |
| C28 | C29 | C31 | C32 | 122.3° | 120.0° |
| C28 | C29 | C32 | C34 | 65.2° | 54.4° |
| C28 | C29 | C32 | O33 | 175.6° | 65.6° |
| C29 | C28 | H3 | H4 | 120.7° | 120.0° |
| C28 | C29 | C30 | H5 | 180.0° | 66.4° |
| C28 | C29 | C30 | H6 | 60.0° | 173.6° |
| C28 | C29 | C30 | H7 | 60.0° | 53.6° |
| C28 | C29 | C31 | H8 | 180.0° | 64.6° |
| C28 | C29 | C31 | H9 | 60.0° | 175.4° |
| C28 | C29 | C31 | H10 | 60.0° | 55.5° |
| C28 | C29 | C32 | H11 | 54.2° | 174.4° |
| C30 | C29 | C31 | C32 | 119.8° | 120.0° |
| C30 | C29 | C32 | C34 | 174.8° | 65.6° |
| C30 | C29 | C32 | O33 | 55.7° | 174.4° |
| C30 | C29 | C28 | H3 | 177.4° | 180.0° |
| C30 | C29 | C28 | H4 | 62.1° | 60.0° |
| C29 | C30 | H5 | H6 | 120.0° | 119.9° |
| C29 | C30 | H5 | H7 | 120.0° | 120.1° |
| C29 | C30 | H6 | H7 | 120.0° | 120.0° |
| C30 | C29 | C31 | H8 | 62.1° | 175.4° |
| C30 | C29 | C31 | H9 | 57.9° | 55.4° |
| C30 | C29 | C31 | H10 | 178.0° | 64.5° |
| C30 | C29 | C32 | H11 | 65.7° | 54.5° |
| C31 | C29 | C32 | C34 | 54.4° | 174.4° |
| C31 | C29 | C32 | O33 | 64.8° | 54.4° |
| C31 | C29 | C28 | H3 | 58.7° | 60.0° |
| C31 | C29 | C28 | H4 | 179.2° | 180.0° |
| C31 | C29 | C30 | H5 | 62.9° | 53.6° |
| C31 | C29 | C30 | H6 | 177.1° | 66.4° |
| C31 | C29 | C30 | H7 | 57.1° | 173.6° |
| C29 | C31 | H8 | H9 | 120.0° | 120.0° |
| C29 | C31 | H8 | H10 | 120.0° | 120.1° |
| C29 | C31 | H9 | H10 | 120.0° | 120.0° |
| C31 | C29 | C32 | H11 | 173.8° | 65.6° |
| C29 | C32 | C34 | O33 | 119.6° | 120.0° |
| C29 | C32 | C34 | H11 | 119.4° | 120.0° |
| C29 | C32 | O33 | H11 | 120.2° | 120.0° |
| C29 | C32 | C34 | O35 | 81.6° | 111.5° |
| C29 | C32 | C34 | N36 | 98.5° | 68.5° |
| C32 | C29 | C28 | H3 | 62.7° | 60.1° |
| C32 | C29 | C28 | H4 | 57.8° | 60.0° |
| C32 | C29 | C30 | H5 | 58.1° | 173.6° |
| C32 | C29 | C30 | H6 | 61.9° | 53.7° |
| C32 | C29 | C30 | H7 | 178.1° | 66.3° |
| C32 | C29 | C31 | H8 | 57.7° | 55.4° |
| C32 | C29 | C31 | H9 | 177.7° | 64.6° |
| C32 | C29 | C31 | H10 | 62.3° | 175.5° |
| C29 | C32 | O33 | H12 | 180.0° | 60.0° |
| C34 | C32 | O33 | H11 | 119.9° | 120.0° |
| C32 | C34 | O35 | N36 | 179.9° | 179.9° |
| C32 | C34 | N36 | C37 | 179.1° | 175.6° |
| C34 | C32 | O33 | H12 | 60.1° | 60.0° |
| C32 | C34 | N36 | H13 | 0.9° | 4.4° |
| O33 | C32 | C34 | O35 | 158.8° | 8.5° |
| O33 | C32 | C34 | N36 | 21.1° | 171.5° |
| O35 | C34 | N36 | C37 | 1.1° | 4.5° |
| O35 | C34 | C32 | H11 | 37.7° | 128.5° |
| O35 | C34 | N36 | H13 | 178.9° | 175.6° |
| C34 | N36 | C37 | H13 | 180.0° | 179.9° |
| C34 | N36 | C37 | C38 | 123.9° | 179.9° |
| N36 | C34 | C32 | H11 | 142.1° | 51.5° |
| C34 | N36 | C37 | H14 | 115.8° | 60.0° |
| C34 | N36 | C37 | H15 | 3.7° | 60.0° |
| N36 | C37 | C38 | H14 | 120.2° | 120.0° |
| N36 | C37 | C38 | H15 | 120.3° | 120.0° |
| N36 | C37 | C38 | C39 | 42.3° | 180.0° |
| N36 | C37 | H14 | H15 | 119.3° | 120.0° |
| N36 | C37 | C38 | H16 | 163.7° | 60.0° |
| N36 | C37 | C38 | H17 | 79.0° | 60.0° |
| C37 | C38 | C39 | O40 | 14.0° | 0.0° |
| C37 | C38 | C39 | H16 | 121.3° | 120.0° |
| C37 | C38 | C39 | H17 | 121.3° | 120.0° |
| C37 | C38 | C39 | N41 | 166.4° | 180.0° |
| C38 | C37 | N36 | H13 | 56.1° | 0.0° |
| C38 | C37 | H14 | H15 | 119.2° | 120.0° |
| C37 | C38 | H16 | H17 | 115.8° | 120.0° |
| O40 | C39 | C38 | N41 | 179.6° | 179.9° |
| O40 | C39 | N41 | C42 | 1.2° | 0.0° |
| O40 | C39 | C38 | H16 | 107.4° | 120.0° |
| O40 | C39 | C38 | H17 | 135.3° | 120.0° |
| O40 | C39 | N41 | H18 | 178.7° | 180.0° |
| C38 | C39 | N41 | C42 | 179.2° | 180.0° |
| C39 | C38 | C37 | H14 | 77.9° | 60.0° |
| C39 | C38 | C37 | H15 | 162.6° | 60.1° |
| C39 | C38 | H16 | H17 | 115.8° | 120.0° |
| C38 | C39 | N41 | H18 | 0.9° | 0.0° |
| C39 | N41 | C42 | H18 | 180.0° | 180.0° |
| C39 | N41 | C42 | C43 | 121.9° | 180.0° |
| N41 | C39 | C38 | H16 | 72.3° | 60.0° |
| N41 | C39 | C38 | H17 | 45.1° | 60.0° |
| C39 | N41 | C42 | H19 | 2.5° | 60.0° |
| C39 | N41 | C42 | H20 | 118.6° | 60.0° |
| N41 | C42 | C43 | H19 | 119.4° | 120.0° |
| N41 | C42 | C43 | H20 | 119.5° | 120.0° |
| N41 | C42 | C43 | S1 | 63.6° | 180.0° |
| N41 | C42 | H19 | H20 | 121.6° | 120.0° |
| N41 | C42 | C43 | H21 | 55.8° | 60.0° |
| N41 | C42 | C43 | H22 | 177.0° | 60.0° |
| C42 | C43 | S1 | H21 | 119.4° | 120.0° |
| C42 | C43 | S1 | H22 | 119.4° | 120.0° |
| C42 | C43 | S1 | C1 | 57.8° | 180.0° |
| C43 | C42 | N41 | H18 | 58.1° | 0.0° |
| C43 | C42 | H19 | H20 | 121.6° | 120.1° |
| C42 | C43 | H21 | H22 | 121.8° | 120.0° |
| C43 | S1 | C1 | C2 | 112.4° | 180.0° |
| C43 | S1 | C1 | O1 | 66.1° | 0.1° |
| S1 | C43 | C42 | H19 | 177.0° | 60.0° |
| S1 | C43 | C42 | H20 | 55.9° | 60.0° |
| S1 | C43 | H21 | H22 | 121.8° | 120.0° |
| S1 | C1 | C2 | O1 | 178.5° | 180.0° |
| S1 | C1 | C2 | C3 | 179.8° | 180.0° |
| C1 | S1 | C43 | H21 | 177.2° | 60.0° |
| C1 | S1 | C43 | H22 | 61.6° | 60.0° |
| S1 | C1 | C2 | H23 | 60.2° | 60.0° |
| S1 | C1 | C2 | H24 | 59.7° | 60.0° |
| C1 | C2 | C3 | H23 | 120.1° | 120.0° |
| C1 | C2 | C3 | H24 | 120.1° | 120.0° |
| C1 | C2 | C3 | O3B | 148.6° | 0.0° |
| C1 | C2 | C3 | O3A | 31.3° | 180.0° |
| C1 | C2 | H23 | H24 | 119.7° | 120.0° |
| O1 | C1 | C2 | C3 | 1.7° | 0.0° |
| O1 | C1 | C2 | H23 | 118.3° | 119.9° |
| O1 | C1 | C2 | H24 | 121.8° | 120.0° |
| C2 | C3 | O3B | O3A | 179.9° | 180.0° |
| C3 | C2 | H23 | H24 | 119.7° | 120.0° |
| C2 | C3 | O3A | H25 | 179.9° | 179.9° |
| O3B | C3 | C2 | H23 | 28.5° | 120.0° |
| O3B | C3 | C2 | H24 | 91.3° | 120.0° |
| O3B | C3 | O3A | H25 | 0.0° | 0.1° |
| O3A | C3 | C2 | H23 | 151.4° | 60.0° |
| O3A | C3 | C2 | H24 | 88.8° | 60.0° |
| H5 | C30 | H6 | H7 | 120.0° | 120.0° |
| H8 | C31 | H9 | H10 | 120.0° | 120.1° |
| H11 | C32 | O33 | H12 | 59.8° | 180.0° |
| H13 | N36 | C37 | H14 | 64.2° | 120.0° |
| H13 | N36 | C37 | H15 | 176.3° | 120.0° |
| H14 | C37 | C38 | H16 | 43.4° | 180.0° |
| H14 | C37 | C38 | H17 | 160.8° | 60.0° |
| H15 | C37 | C38 | H16 | 76.1° | 60.0° |
| H15 | C37 | C38 | H17 | 41.3° | 180.0° |
| H18 | N41 | C42 | H19 | 177.6° | 120.0° |
| H18 | N41 | C42 | H20 | 61.4° | 120.0° |
| H19 | C42 | C43 | H21 | 63.6° | 179.9° |
| H19 | C42 | C43 | H22 | 57.6° | 59.9° |
| H20 | C42 | C43 | H21 | 175.3° | 60.0° |
| H20 | C42 | C43 | H22 | 63.5° | 180.0° |
