1E2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | S | doub | 1.42Å | 1.48Å | |
| C6 | S | sing | 1.81Å | 1.68Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| O9 | S | doub | 1.42Å | 1.49Å | |
| S | O8 | sing | 1.52Å | 1.47Å | |
| O4 | C4 | sing | 1.43Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| O5 | C1 | sing | 1.43Å | 1.41Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | O6 | sing | 1.43Å | 1.43Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| O6 | C44 | sing | 1.43Å | 1.44Å | |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C23 | O10 | doub | 1.21Å | 1.23Å | |
| C23 | O48 | sing | 1.34Å | 1.49Å | |
| O47 | C45 | sing | 1.43Å | 1.45Å | |
| C45 | C46 | sing | 1.53Å | 1.55Å | |
| O48 | C46 | sing | 1.45Å | 1.44Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C46 | H9 | sing | 1.09Å | 1.10Å | |
| C46 | H10 | sing | 1.09Å | 1.10Å | |
| C45 | H11 | sing | 1.09Å | 1.10Å | |
| O47 | H12 | sing | 0.97Å | 0.95Å | |
| C44 | H13 | sing | 1.09Å | 1.10Å | |
| C44 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| O2 | H16 | sing | 0.97Å | 0.95Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| O3 | H18 | sing | 0.97Å | 0.95Å | |
| O4 | H19 | sing | 0.97Å | 0.95Å | |
| O8 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | S | C6 | 109.8° | 110.6° |
| O7 | S | O9 | 109.6° | 121.0° |
| O7 | S | O8 | 110.0° | 104.3° |
| S | C6 | C5 | 112.3° | 109.5° |
| C6 | S | O9 | 109.2° | 110.5° |
| C6 | S | O8 | 110.6° | 104.5° |
| S | C6 | H3 | 108.8° | 109.5° |
| S | C6 | H4 | 108.8° | 109.5° |
| C6 | C5 | C4 | 115.9° | 109.5° |
| C6 | C5 | O5 | 108.8° | 109.5° |
| C5 | C6 | H3 | 108.8° | 109.5° |
| C5 | C6 | H4 | 108.8° | 109.5° |
| C6 | C5 | H5 | 107.8° | 109.5° |
| O9 | S | O8 | 107.5° | 104.3° |
| S | O8 | H20 | 109.5° | 114.0° |
| O4 | C4 | C5 | 111.2° | 109.5° |
| O4 | C4 | C3 | 111.3° | 109.5° |
| O4 | C4 | H2 | 108.9° | 109.5° |
| C4 | O4 | H19 | 109.5° | 114.0° |
| C5 | C4 | C3 | 109.7° | 109.2° |
| C4 | C5 | O5 | 107.4° | 109.4° |
| C5 | C4 | H2 | 107.9° | 109.5° |
| C4 | C5 | H5 | 107.7° | 109.5° |
| C4 | C3 | O3 | 112.5° | 109.6° |
| C4 | C3 | C2 | 116.7° | 109.0° |
| C3 | C4 | H2 | 107.8° | 109.5° |
| C4 | C3 | H17 | 107.1° | 109.5° |
| C5 | O5 | C1 | 108.3° | 114.1° |
| O5 | C5 | H5 | 109.1° | 109.5° |
| O5 | C1 | C2 | 101.8° | 109.4° |
| O5 | C1 | O6 | 107.4° | 109.5° |
| O5 | C1 | H15 | 111.0° | 109.5° |
| O3 | C3 | C2 | 104.2° | 109.6° |
| O3 | C3 | H17 | 108.6° | 109.6° |
| C3 | O3 | H18 | 109.5° | 114.0° |
| C3 | C2 | C1 | 112.8° | 109.2° |
| C3 | C2 | O2 | 104.3° | 109.5° |
| C3 | C2 | H1 | 108.7° | 109.5° |
| C2 | C3 | H17 | 107.4° | 109.5° |
| C2 | C1 | O6 | 116.1° | 109.5° |
| C1 | C2 | O2 | 111.9° | 109.5° |
| C1 | C2 | H1 | 108.9° | 109.5° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| C1 | O6 | C44 | 115.4° | 114.0° |
| O6 | C1 | H15 | 110.8° | 109.5° |
| O2 | C2 | H1 | 110.2° | 109.5° |
| C2 | O2 | H16 | 109.5° | 114.0° |
| O6 | C44 | C45 | 108.2° | 109.5° |
| O6 | C44 | H13 | 109.8° | 109.5° |
| O6 | C44 | H14 | 109.8° | 109.5° |
| C24 | C23 | O10 | 117.5° | 120.0° |
| C24 | C23 | O48 | 122.8° | 120.0° |
| C23 | C24 | H6 | 109.5° | 109.5° |
| C23 | C24 | H7 | 109.5° | 109.5° |
| C23 | C24 | H8 | 109.4° | 109.5° |
| C44 | C45 | O47 | 108.9° | 109.4° |
| C44 | C45 | C46 | 113.3° | 109.5° |
| C44 | C45 | H11 | 107.1° | 109.5° |
| C45 | C44 | H13 | 109.8° | 109.5° |
| C45 | C44 | H14 | 109.8° | 109.5° |
| O10 | C23 | O48 | 119.6° | 120.1° |
| C23 | O48 | C46 | 129.0° | 117.0° |
| O47 | C45 | C46 | 112.2° | 109.5° |
| O47 | C45 | H11 | 108.1° | 109.5° |
| C45 | O47 | H12 | 109.5° | 114.0° |
| C45 | C46 | O48 | 115.4° | 109.5° |
| C45 | C46 | H9 | 108.0° | 109.5° |
| C45 | C46 | H10 | 108.0° | 109.4° |
| C46 | C45 | H11 | 106.9° | 109.5° |
| O48 | C46 | H9 | 108.0° | 109.5° |
| O48 | C46 | H10 | 108.0° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H6 | C24 | H7 | 109.5° | 109.5° |
| H6 | C24 | H8 | 109.5° | 109.4° |
| H7 | C24 | H8 | 109.5° | 109.4° |
| H9 | C46 | H10 | 109.5° | 109.5° |
| H13 | C44 | H14 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | S | C6 | O9 | 120.2° | 136.7° |
| O7 | S | C6 | O8 | 121.6° | 111.7° |
| O7 | S | C6 | C5 | 169.2° | 68.4° |
| O7 | S | O9 | O8 | 119.6° | 116.8° |
| O7 | S | C6 | H3 | 70.4° | 51.6° |
| O7 | S | C6 | H4 | 48.7° | 171.7° |
| O7 | S | O8 | H20 | 119.3° | 63.9° |
| S | C6 | C5 | H3 | 120.4° | 120.0° |
| S | C6 | C5 | H4 | 120.4° | 120.0° |
| C6 | S | O9 | O8 | 120.1° | 111.7° |
| S | C6 | C5 | C4 | 176.0° | 175.0° |
| S | C6 | C5 | O5 | 54.9° | 65.1° |
| S | C6 | H3 | H4 | 118.7° | 120.0° |
| S | C6 | C5 | H5 | 63.3° | 55.0° |
| C6 | S | O8 | H20 | 119.2° | 180.0° |
| C5 | C6 | S | O9 | 70.6° | 68.4° |
| C5 | C6 | S | O8 | 47.6° | 180.0° |
| C6 | C5 | C4 | O4 | 67.2° | 62.5° |
| C6 | C5 | C4 | O5 | 121.8° | 120.0° |
| C6 | C5 | C4 | H5 | 120.8° | 120.0° |
| C6 | C5 | C4 | C3 | 169.3° | 177.6° |
| C6 | C5 | O5 | H5 | 117.3° | 120.1° |
| C6 | C5 | O5 | C1 | 155.0° | 178.8° |
| C6 | C5 | C4 | H2 | 52.1° | 57.7° |
| C5 | C6 | H3 | H4 | 118.7° | 120.0° |
| O9 | S | C6 | H3 | 49.8° | 171.6° |
| O9 | S | C6 | H4 | 168.9° | 51.6° |
| O9 | S | O8 | H20 | 0.0° | 63.9° |
| O8 | S | C6 | H3 | 168.0° | 60.0° |
| O8 | S | C6 | H4 | 72.9° | 60.0° |
| O4 | C4 | C5 | C3 | 123.5° | 119.9° |
| O4 | C4 | C5 | H2 | 119.4° | 120.2° |
| O4 | C4 | C3 | H2 | 119.3° | 120.1° |
| O4 | C4 | C5 | O5 | 171.0° | 177.5° |
| O4 | C4 | C3 | O3 | 86.7° | 63.2° |
| O4 | C4 | C3 | C2 | 152.9° | 176.9° |
| O4 | C4 | C5 | H5 | 53.5° | 57.5° |
| O4 | C4 | C3 | H17 | 32.5° | 57.0° |
| C5 | C4 | C3 | H2 | 117.3° | 119.9° |
| C4 | C5 | O5 | H5 | 116.5° | 120.0° |
| C4 | C5 | O5 | C1 | 78.8° | 61.2° |
| C5 | C4 | C3 | O3 | 149.9° | 176.8° |
| C5 | C4 | C3 | C2 | 29.4° | 56.9° |
| C4 | C5 | C6 | H3 | 55.5° | 55.0° |
| C4 | C5 | C6 | H4 | 63.6° | 65.0° |
| C5 | C4 | C3 | H17 | 90.9° | 62.9° |
| C5 | C4 | O4 | H19 | 180.0° | 180.0° |
| C3 | C4 | C5 | O5 | 47.5° | 57.6° |
| C4 | C3 | O3 | C2 | 127.4° | 119.6° |
| C4 | C3 | O3 | H17 | 118.4° | 120.2° |
| C4 | C3 | C2 | H17 | 120.2° | 119.8° |
| C4 | C3 | C2 | C1 | 35.0° | 56.9° |
| C4 | C3 | C2 | O2 | 156.6° | 176.9° |
| C4 | C3 | C2 | H1 | 85.8° | 63.0° |
| C3 | C4 | C5 | H5 | 69.9° | 62.4° |
| C4 | C3 | O3 | H18 | 180.0° | 180.0° |
| C3 | C4 | O4 | H19 | 57.5° | 60.3° |
| C5 | O5 | C1 | C2 | 80.7° | 61.2° |
| C5 | O5 | C1 | O6 | 157.0° | 178.8° |
| O5 | C5 | C4 | H2 | 69.7° | 62.3° |
| O5 | C5 | C6 | H3 | 65.5° | 174.9° |
| O5 | C5 | C6 | H4 | 175.3° | 54.9° |
| C5 | O5 | C1 | H15 | 35.8° | 58.8° |
| O5 | C1 | C2 | C3 | 56.0° | 57.6° |
| O5 | C1 | C2 | O6 | 116.2° | 120.0° |
| O5 | C1 | C2 | H15 | 117.5° | 120.0° |
| O5 | C1 | O6 | H15 | 121.3° | 120.0° |
| O5 | C1 | C2 | O2 | 173.2° | 177.5° |
| O5 | C1 | O6 | C44 | 118.1° | 65.0° |
| O5 | C1 | C2 | H1 | 64.7° | 62.4° |
| C1 | O5 | C5 | H5 | 37.7° | 58.8° |
| O3 | C3 | C2 | H17 | 115.0° | 120.3° |
| O3 | C3 | C2 | C1 | 159.8° | 176.8° |
| O3 | C3 | C2 | O2 | 78.6° | 63.2° |
| O3 | C3 | C2 | H1 | 38.9° | 56.9° |
| O3 | C3 | C4 | H2 | 32.6° | 56.9° |
| C3 | C2 | C1 | O2 | 117.2° | 119.9° |
| C3 | C2 | C1 | H1 | 120.7° | 120.0° |
| C3 | C2 | C1 | O6 | 172.2° | 177.6° |
| C3 | C2 | O2 | H1 | 116.5° | 120.1° |
| C2 | C3 | C4 | H2 | 87.8° | 63.0° |
| C3 | C2 | C1 | H15 | 61.5° | 62.4° |
| C3 | C2 | O2 | H16 | 180.0° | 179.9° |
| C2 | C3 | O3 | H18 | 52.6° | 60.4° |
| C2 | C1 | O6 | H15 | 125.7° | 120.0° |
| C1 | C2 | O2 | H1 | 121.3° | 120.1° |
| C2 | C1 | O6 | C44 | 128.9° | 175.0° |
| C1 | C2 | O2 | H16 | 57.9° | 60.1° |
| C1 | C2 | C3 | H17 | 85.2° | 62.9° |
| O6 | C1 | C2 | O2 | 70.6° | 62.5° |
| C1 | O6 | C44 | C45 | 126.9° | 180.0° |
| O6 | C1 | C2 | H1 | 51.5° | 57.6° |
| C1 | O6 | C44 | H13 | 7.1° | 60.0° |
| C1 | O6 | C44 | H14 | 113.3° | 60.0° |
| O2 | C2 | C1 | H15 | 55.7° | 57.5° |
| O2 | C2 | C3 | H17 | 36.4° | 57.0° |
| O6 | C44 | C45 | H13 | 119.8° | 120.1° |
| O6 | C44 | C45 | H14 | 119.8° | 120.0° |
| O6 | C44 | C45 | O47 | 29.6° | 65.0° |
| O6 | C44 | C45 | C46 | 155.1° | 175.0° |
| O6 | C44 | C45 | H11 | 87.2° | 55.0° |
| O6 | C44 | H13 | H14 | 120.6° | 120.0° |
| C44 | O6 | C1 | H15 | 3.2° | 55.0° |
| C24 | C23 | O10 | O48 | 177.0° | 180.0° |
| C24 | C23 | O48 | C46 | 79.4° | 180.0° |
| C23 | C24 | H6 | H7 | 120.0° | 120.1° |
| C23 | C24 | H6 | H8 | 120.0° | 120.0° |
| C23 | C24 | H7 | H8 | 120.0° | 120.0° |
| C44 | C45 | O47 | C46 | 126.2° | 120.0° |
| C44 | C45 | O47 | H11 | 116.1° | 120.0° |
| C44 | C45 | C46 | H11 | 117.8° | 120.1° |
| C44 | C45 | C46 | O48 | 60.9° | 175.0° |
| C44 | C45 | C46 | H9 | 178.2° | 65.0° |
| C44 | C45 | C46 | H10 | 59.9° | 55.0° |
| C44 | C45 | O47 | H12 | 180.0° | 60.0° |
| C45 | C44 | H13 | H14 | 120.5° | 119.9° |
| O10 | C23 | O48 | C46 | 103.8° | 0.0° |
| O10 | C23 | C24 | H6 | 0.0° | 0.1° |
| O10 | C23 | C24 | H7 | 120.0° | 120.0° |
| O10 | C23 | C24 | H8 | 120.0° | 120.0° |
| C23 | O48 | C46 | C45 | 68.2° | 180.0° |
| O48 | C23 | C24 | H6 | 176.9° | 179.9° |
| O48 | C23 | C24 | H7 | 56.9° | 60.0° |
| O48 | C23 | C24 | H8 | 63.1° | 60.0° |
| C23 | O48 | C46 | H9 | 52.7° | 60.0° |
| C23 | O48 | C46 | H10 | 171.0° | 60.0° |
| O47 | C45 | C46 | H11 | 118.4° | 120.0° |
| O47 | C45 | C46 | O48 | 62.9° | 65.0° |
| O47 | C45 | C46 | H9 | 58.0° | 55.0° |
| O47 | C45 | C46 | H10 | 176.2° | 175.0° |
| O47 | C45 | C44 | H13 | 149.4° | 55.0° |
| O47 | C45 | C44 | H14 | 90.3° | 175.0° |
| C45 | C46 | O48 | H9 | 120.8° | 120.0° |
| C45 | C46 | O48 | H10 | 120.9° | 120.0° |
| C45 | C46 | H9 | H10 | 117.3° | 120.0° |
| C46 | C45 | O47 | H12 | 53.8° | 60.0° |
| C46 | C45 | C44 | H13 | 85.0° | 64.9° |
| C46 | C45 | C44 | H14 | 35.3° | 55.0° |
| O48 | C46 | H9 | H10 | 117.3° | 120.0° |
| O48 | C46 | C45 | H11 | 178.7° | 54.9° |
| H1 | C2 | C1 | H15 | 177.8° | 177.7° |
| H1 | C2 | O2 | H16 | 63.5° | 60.0° |
| H1 | C2 | C3 | H17 | 154.0° | 177.2° |
| H2 | C4 | C5 | H5 | 172.9° | 177.7° |
| H2 | C4 | C3 | H17 | 151.9° | 177.2° |
| H2 | C4 | O4 | H19 | 61.2° | 59.9° |
| H3 | C6 | C5 | H5 | 176.3° | 65.0° |
| H4 | C6 | C5 | H5 | 57.2° | 175.0° |
| H6 | C24 | H7 | H8 | 120.0° | 119.9° |
| H9 | C46 | C45 | H11 | 60.4° | 174.9° |
| H10 | C46 | C45 | H11 | 57.9° | 65.1° |
| H11 | C45 | O47 | H12 | 63.9° | 179.9° |
| H11 | C45 | C44 | H13 | 32.7° | 175.0° |
| H11 | C45 | C44 | H14 | 153.0° | 65.1° |
| H17 | C3 | O3 | H18 | 61.6° | 59.8° |
