EEO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C11 | doub | 1.21Å | 1.26Å | |
| O1 | C9 | doub | 1.21Å | 1.19Å | |
| C11 | O3 | sing | 1.34Å | 1.26Å | |
| C11 | C4 | sing | 1.51Å | 1.53Å | |
| C4 | N1 | sing | 1.43Å | 1.45Å | |
| C4 | C1 | sing | 1.55Å | 1.53Å | |
| S1 | C2 | sing | 1.81Å | 1.82Å | |
| C2 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | N1 | sing | 1.35Å | 1.46Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| N1 | C5 | sing | 1.50Å | 1.46Å | |
| C1 | C8 | sing | 1.55Å | 1.53Å | |
| C10 | C3 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.46Å | 1.53Å | |
| C8 | C7 | sing | 1.50Å | 1.53Å | |
| C6 | C7 | sing | 1.52Å | 1.53Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| O3 | H18 | sing | 0.97Å | 0.95Å | |
| S1 | H19 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C11 | O3 | 119.1° | 120.0° |
| O2 | C11 | C4 | 119.2° | 120.0° |
| O1 | C9 | N1 | 121.7° | 120.0° |
| O1 | C9 | C10 | 117.5° | 120.0° |
| O3 | C11 | C4 | 121.7° | 120.0° |
| C11 | O3 | H18 | 109.5° | 117.0° |
| C11 | C4 | N1 | 111.6° | 108.2° |
| C11 | C4 | C1 | 109.7° | 108.1° |
| C11 | C4 | H1 | 108.5° | 107.9° |
| N1 | C4 | C1 | 108.9° | 116.0° |
| C4 | N1 | C9 | 115.9° | 120.5° |
| C4 | N1 | C5 | 127.4° | 119.0° |
| N1 | C4 | H1 | 109.5° | 108.2° |
| C4 | C1 | C8 | 114.3° | 110.1° |
| C1 | C4 | H1 | 108.5° | 108.1° |
| C4 | C1 | H11 | 108.2° | 109.3° |
| C4 | C1 | H12 | 108.3° | 109.3° |
| S1 | C2 | C10 | 111.7° | 109.5° |
| S1 | C2 | H13 | 108.9° | 109.5° |
| S1 | C2 | H14 | 108.9° | 109.5° |
| C2 | S1 | H19 | 102.0° | 103.0° |
| C2 | C10 | C9 | 109.0° | 109.5° |
| C2 | C10 | C3 | 108.1° | 109.4° |
| C2 | C10 | H10 | 111.1° | 109.5° |
| C10 | C2 | H13 | 108.9° | 109.4° |
| C10 | C2 | H14 | 108.9° | 109.5° |
| N1 | C9 | C10 | 120.8° | 120.0° |
| C9 | N1 | C5 | 116.7° | 120.5° |
| C9 | C10 | C3 | 106.5° | 109.5° |
| C9 | C10 | H10 | 111.0° | 109.5° |
| N1 | C5 | C6 | 114.1° | 107.5° |
| N1 | C5 | H2 | 108.3° | 109.9° |
| N1 | C5 | H3 | 108.3° | 109.9° |
| C1 | C8 | C7 | 114.7° | 110.8° |
| C1 | C8 | H8 | 108.1° | 109.2° |
| C1 | C8 | H9 | 108.1° | 109.1° |
| C8 | C1 | H11 | 108.3° | 109.4° |
| C8 | C1 | H12 | 108.3° | 109.4° |
| C3 | C10 | H10 | 110.9° | 109.5° |
| C10 | C3 | H15 | 109.5° | 109.5° |
| C10 | C3 | H16 | 109.5° | 109.5° |
| C10 | C3 | H17 | 109.5° | 109.4° |
| C5 | C6 | C7 | 114.2° | 114.2° |
| C6 | C5 | H2 | 108.3° | 109.8° |
| C6 | C5 | H3 | 108.3° | 109.8° |
| C5 | C6 | H4 | 108.3° | 108.5° |
| C5 | C6 | H5 | 108.3° | 108.5° |
| C8 | C7 | C6 | 114.0° | 105.4° |
| C8 | C7 | H6 | 108.3° | 110.2° |
| C8 | C7 | H7 | 108.3° | 110.4° |
| C7 | C8 | H8 | 108.2° | 109.2° |
| C7 | C8 | H9 | 108.1° | 109.2° |
| C7 | C6 | H4 | 108.3° | 108.5° |
| C7 | C6 | H5 | 108.2° | 108.6° |
| C6 | C7 | H6 | 108.3° | 110.2° |
| C6 | C7 | H7 | 108.3° | 110.3° |
| H2 | C5 | H3 | 109.5° | 109.9° |
| H4 | C6 | H5 | 109.5° | 108.3° |
| H6 | C7 | H7 | 109.5° | 110.2° |
| H8 | C8 | H9 | 109.5° | 109.3° |
| H11 | C1 | H12 | 109.4° | 109.3° |
| H13 | C2 | H14 | 109.5° | 109.5° |
| H15 | C3 | H16 | 109.4° | 109.5° |
| H15 | C3 | H17 | 109.5° | 109.4° |
| H16 | C3 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C11 | O3 | C4 | 179.6° | 179.9° |
| O2 | C11 | C4 | N1 | 177.6° | 25.9° |
| O2 | C11 | C4 | C1 | 56.8° | 152.3° |
| O2 | C11 | C4 | H1 | 61.6° | 90.9° |
| O2 | C11 | O3 | H18 | 0.0° | 0.1° |
| O1 | C9 | N1 | C4 | 0.4° | 5.9° |
| O1 | C9 | C10 | C2 | 67.2° | 21.7° |
| O1 | C9 | N1 | C10 | 179.7° | 180.0° |
| O1 | C9 | N1 | C5 | 179.8° | 173.9° |
| O1 | C9 | C10 | C3 | 49.2° | 98.3° |
| O1 | C9 | C10 | H10 | 170.1° | 141.7° |
| O3 | C11 | C4 | N1 | 2.8° | 154.2° |
| O3 | C11 | C4 | C1 | 123.7° | 27.8° |
| O3 | C11 | C4 | H1 | 117.9° | 89.0° |
| C11 | C4 | N1 | C1 | 121.3° | 121.7° |
| C11 | C4 | N1 | H1 | 120.1° | 116.6° |
| C11 | C4 | C1 | H1 | 118.3° | 116.6° |
| C11 | C4 | N1 | C9 | 109.7° | 33.5° |
| C11 | C4 | N1 | C5 | 70.5° | 146.7° |
| C11 | C4 | C1 | C8 | 65.7° | 163.1° |
| C11 | C4 | C1 | H11 | 173.5° | 76.7° |
| C11 | C4 | C1 | H12 | 55.0° | 42.9° |
| C4 | C11 | O3 | H18 | 179.5° | 180.0° |
| N1 | C4 | C1 | H1 | 119.2° | 121.7° |
| C4 | N1 | C9 | C5 | 179.9° | 179.8° |
| C4 | N1 | C9 | C10 | 179.3° | 174.1° |
| N1 | C4 | C1 | C8 | 56.7° | 41.4° |
| C4 | N1 | C5 | C6 | 79.3° | 70.5° |
| C4 | N1 | C5 | H2 | 41.4° | 170.1° |
| C4 | N1 | C5 | H3 | 160.0° | 49.1° |
| N1 | C4 | C1 | H11 | 64.0° | 161.6° |
| N1 | C4 | C1 | H12 | 177.5° | 78.8° |
| C1 | C4 | N1 | C9 | 129.0° | 88.2° |
| C1 | C4 | N1 | C5 | 50.8° | 91.6° |
| C4 | C1 | C8 | H11 | 120.7° | 120.2° |
| C4 | C1 | C8 | H12 | 120.7° | 120.2° |
| C4 | C1 | C8 | C7 | 93.3° | 38.8° |
| C4 | C1 | C8 | H8 | 145.9° | 81.5° |
| C4 | C1 | C8 | H9 | 27.4° | 159.2° |
| C4 | C1 | H11 | H12 | 117.8° | 119.6° |
| S1 | C2 | C10 | H13 | 120.3° | 120.0° |
| S1 | C2 | C10 | H14 | 120.3° | 120.0° |
| S1 | C2 | C10 | C9 | 70.0° | 175.0° |
| S1 | C2 | C10 | C3 | 174.6° | 65.0° |
| S1 | C2 | C10 | H10 | 52.7° | 55.0° |
| S1 | C2 | H13 | H14 | 119.0° | 120.0° |
| C2 | C10 | C9 | N1 | 113.1° | 158.3° |
| C2 | C10 | C9 | C3 | 116.4° | 120.0° |
| C2 | C10 | C9 | H10 | 122.7° | 120.0° |
| C2 | C10 | C3 | H10 | 122.0° | 120.0° |
| C10 | C2 | H13 | H14 | 119.0° | 120.0° |
| C2 | C10 | C3 | H15 | 180.0° | 175.9° |
| C2 | C10 | C3 | H16 | 60.0° | 55.9° |
| C2 | C10 | C3 | H17 | 60.0° | 64.1° |
| C10 | C2 | S1 | H19 | 180.0° | 180.0° |
| N1 | C9 | C10 | C3 | 130.5° | 81.7° |
| C9 | N1 | C5 | C6 | 100.5° | 109.3° |
| C9 | N1 | C4 | H1 | 10.5° | 150.2° |
| C9 | N1 | C5 | H2 | 138.8° | 10.1° |
| C9 | N1 | C5 | H3 | 20.2° | 131.2° |
| N1 | C9 | C10 | H10 | 9.6° | 38.3° |
| C10 | C9 | N1 | C5 | 0.6° | 6.1° |
| C9 | C10 | C3 | H10 | 121.0° | 120.0° |
| C9 | C10 | C2 | H13 | 169.7° | 55.0° |
| C9 | C10 | C2 | H14 | 50.3° | 64.9° |
| C9 | C10 | C3 | H15 | 63.0° | 64.1° |
| C9 | C10 | C3 | H16 | 177.1° | 175.9° |
| C9 | C10 | C3 | H17 | 57.0° | 55.8° |
| N1 | C5 | C6 | H2 | 120.7° | 119.5° |
| N1 | C5 | C6 | H3 | 120.7° | 119.5° |
| N1 | C5 | C6 | C7 | 74.0° | 58.4° |
| C5 | N1 | C4 | H1 | 169.4° | 30.1° |
| N1 | C5 | H2 | H3 | 117.9° | 121.0° |
| N1 | C5 | C6 | H4 | 165.3° | 62.8° |
| N1 | C5 | C6 | H5 | 46.7° | 179.6° |
| C1 | C8 | C7 | H8 | 120.7° | 120.3° |
| C1 | C8 | C7 | H9 | 120.7° | 120.3° |
| C1 | C8 | C7 | C6 | 62.9° | 97.7° |
| C8 | C1 | C4 | H1 | 175.9° | 80.3° |
| C1 | C8 | C7 | H6 | 57.8° | 143.4° |
| C1 | C8 | C7 | H7 | 176.5° | 21.4° |
| C1 | C8 | H8 | H9 | 117.6° | 119.3° |
| C8 | C1 | H11 | H12 | 117.8° | 119.7° |
| C3 | C10 | C2 | H13 | 54.3° | 175.0° |
| C3 | C10 | C2 | H14 | 65.1° | 55.1° |
| C10 | C3 | H15 | H16 | 120.0° | 120.0° |
| C10 | C3 | H15 | H17 | 120.0° | 120.0° |
| C10 | C3 | H16 | H17 | 120.0° | 120.0° |
| C5 | C6 | C7 | C8 | 14.3° | 89.4° |
| C5 | C6 | C7 | H4 | 120.7° | 121.2° |
| C5 | C6 | C7 | H5 | 120.7° | 121.2° |
| C6 | C5 | H2 | H3 | 117.9° | 120.9° |
| C5 | C6 | H4 | H5 | 117.9° | 117.6° |
| C5 | C6 | C7 | H6 | 134.9° | 151.7° |
| C5 | C6 | C7 | H7 | 106.4° | 29.7° |
| C8 | C7 | C6 | H6 | 120.7° | 118.9° |
| C8 | C7 | C6 | H7 | 120.7° | 119.2° |
| C8 | C7 | C6 | H4 | 135.0° | 31.8° |
| C8 | C7 | C6 | H5 | 106.5° | 149.3° |
| C8 | C7 | H6 | H7 | 118.0° | 122.0° |
| C7 | C8 | H8 | H9 | 117.7° | 119.4° |
| C7 | C8 | C1 | H11 | 27.4° | 81.3° |
| C7 | C8 | C1 | H12 | 146.0° | 159.0° |
| C7 | C6 | C5 | H2 | 46.7° | 177.9° |
| C7 | C6 | C5 | H3 | 165.4° | 61.1° |
| C7 | C6 | H4 | H5 | 117.8° | 117.7° |
| C6 | C7 | H6 | H7 | 117.9° | 122.0° |
| C6 | C7 | C8 | H8 | 176.4° | 22.6° |
| C6 | C7 | C8 | H9 | 57.9° | 142.0° |
| H1 | C4 | C1 | H11 | 55.2° | 39.9° |
| H1 | C4 | C1 | H12 | 63.4° | 159.5° |
| H2 | C5 | C6 | H4 | 74.0° | 56.7° |
| H2 | C5 | C6 | H5 | 167.4° | 60.8° |
| H3 | C5 | C6 | H4 | 44.7° | 177.6° |
| H3 | C5 | C6 | H5 | 73.9° | 60.1° |
| H4 | C6 | C7 | H6 | 104.4° | 87.1° |
| H4 | C6 | C7 | H7 | 14.3° | 150.9° |
| H5 | C6 | C7 | H6 | 14.2° | 30.5° |
| H5 | C6 | C7 | H7 | 132.9° | 91.5° |
| H6 | C7 | C8 | H8 | 62.9° | 96.3° |
| H6 | C7 | C8 | H9 | 178.6° | 23.1° |
| H7 | C7 | C8 | H8 | 55.8° | 141.7° |
| H7 | C7 | C8 | H9 | 62.8° | 98.8° |
| H8 | C8 | C1 | H11 | 93.4° | 158.3° |
| H8 | C8 | C1 | H12 | 25.2° | 38.7° |
| H9 | C8 | C1 | H11 | 148.2° | 39.0° |
| H9 | C8 | C1 | H12 | 93.3° | 80.6° |
| H10 | C10 | C2 | H13 | 67.6° | 65.0° |
| H10 | C10 | C2 | H14 | 173.0° | 175.0° |
| H10 | C10 | C3 | H15 | 58.0° | 56.0° |
| H10 | C10 | C3 | H16 | 62.0° | 64.1° |
| H10 | C10 | C3 | H17 | 178.0° | 175.9° |
| H13 | C2 | S1 | H19 | 59.7° | 60.0° |
| H14 | C2 | S1 | H19 | 59.7° | 60.0° |
| H15 | C3 | H16 | H17 | 120.0° | 120.0° |
