EG0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C6 | doub | 1.21Å | 1.24Å | |
| C8 | S1 | sing | 1.81Å | 1.82Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | N1 | sing | 1.35Å | 1.33Å | |
| C9 | C7 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | N1 | sing | 1.47Å | 1.49Å | |
| C1 | C5 | sing | 1.53Å | 1.51Å | |
| N1 | C3 | sing | 1.47Å | 1.49Å | |
| C5 | C10 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | O2 | doub | 1.21Å | 1.24Å | |
| C11 | O3 | sing | 1.34Å | 1.27Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| S1 | H19 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C6 | C7 | 120.5° | 120.0° |
| O1 | C6 | N1 | 120.8° | 120.0° |
| S1 | C8 | C7 | 113.5° | 109.5° |
| S1 | C8 | H5 | 108.4° | 109.5° |
| S1 | C8 | H6 | 108.4° | 109.5° |
| C8 | S1 | H19 | 102.0° | 103.0° |
| C8 | C7 | C6 | 111.0° | 109.5° |
| C8 | C7 | C9 | 107.6° | 109.5° |
| C8 | C7 | H4 | 110.2° | 109.4° |
| C7 | C8 | H5 | 108.4° | 109.5° |
| C7 | C8 | H6 | 108.4° | 109.5° |
| C7 | C6 | N1 | 118.5° | 120.0° |
| C6 | C7 | C9 | 106.6° | 109.5° |
| C6 | C7 | H4 | 110.5° | 109.4° |
| C6 | N1 | C2 | 118.9° | 120.6° |
| C6 | N1 | C3 | 126.7° | 120.6° |
| C9 | C7 | H4 | 110.8° | 109.5° |
| C7 | C9 | H16 | 109.5° | 109.5° |
| C7 | C9 | H17 | 109.5° | 109.5° |
| C7 | C9 | H18 | 109.5° | 109.5° |
| C1 | C2 | N1 | 111.3° | 108.8° |
| C2 | C1 | C5 | 109.1° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.2° |
| C2 | C1 | H13 | 109.6° | 109.6° |
| C1 | C2 | H14 | 109.0° | 109.6° |
| C1 | C2 | H15 | 109.0° | 109.6° |
| C2 | N1 | C3 | 114.4° | 118.7° |
| N1 | C2 | H14 | 109.0° | 109.6° |
| N1 | C2 | H15 | 109.0° | 109.6° |
| C1 | C5 | C10 | 108.9° | 109.6° |
| C1 | C5 | C4 | 110.6° | 109.8° |
| C1 | C5 | H3 | 109.6° | 109.0° |
| C5 | C1 | H12 | 109.6° | 109.5° |
| C5 | C1 | H13 | 109.6° | 109.6° |
| N1 | C3 | C4 | 108.5° | 108.7° |
| N1 | C3 | H10 | 109.7° | 109.6° |
| N1 | C3 | H11 | 109.7° | 109.6° |
| C10 | C5 | C4 | 109.4° | 109.5° |
| C5 | C10 | C11 | 109.1° | 109.5° |
| C10 | C5 | H3 | 109.3° | 109.4° |
| C5 | C10 | H7 | 109.5° | 109.5° |
| C5 | C10 | H8 | 109.6° | 109.5° |
| C5 | C4 | C3 | 109.5° | 109.4° |
| C5 | C4 | H1 | 109.5° | 109.5° |
| C5 | C4 | H2 | 109.4° | 109.5° |
| C4 | C5 | H3 | 109.1° | 109.5° |
| C3 | C4 | H1 | 109.5° | 109.5° |
| C3 | C4 | H2 | 109.5° | 109.5° |
| C4 | C3 | H10 | 109.7° | 109.6° |
| C4 | C3 | H11 | 109.7° | 109.6° |
| C10 | C11 | O2 | 115.3° | 120.0° |
| C10 | C11 | O3 | 117.1° | 120.0° |
| C11 | C10 | H7 | 109.5° | 109.5° |
| C11 | C10 | H8 | 109.5° | 109.4° |
| O2 | C11 | O3 | 127.7° | 119.9° |
| C11 | O3 | H9 | 109.5° | 117.0° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.4° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H10 | C3 | H11 | 109.5° | 109.8° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.5° | 109.7° |
| H16 | C9 | H17 | 109.5° | 109.4° |
| H16 | C9 | H18 | 109.5° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C6 | C7 | C8 | 52.2° | 19.7° |
| O1 | C6 | C7 | N1 | 174.8° | 180.0° |
| O1 | C6 | C7 | C9 | 64.8° | 100.3° |
| O1 | C6 | N1 | C2 | 0.5° | 5.7° |
| O1 | C6 | N1 | C3 | 178.8° | 174.6° |
| O1 | C6 | C7 | H4 | 174.7° | 139.7° |
| S1 | C8 | C7 | H5 | 120.6° | 120.0° |
| S1 | C8 | C7 | H6 | 120.6° | 120.0° |
| S1 | C8 | C7 | C6 | 65.8° | 175.0° |
| S1 | C8 | C7 | C9 | 177.8° | 65.0° |
| S1 | C8 | C7 | H4 | 56.9° | 55.0° |
| S1 | C8 | H5 | H6 | 118.2° | 120.0° |
| C8 | C7 | C6 | C9 | 117.0° | 120.0° |
| C8 | C7 | C6 | H4 | 122.5° | 119.9° |
| C8 | C7 | C6 | N1 | 133.1° | 160.2° |
| C8 | C7 | C9 | H4 | 120.5° | 120.0° |
| C7 | C8 | H5 | H6 | 118.1° | 120.0° |
| C8 | C7 | C9 | H16 | 180.0° | 53.7° |
| C8 | C7 | C9 | H17 | 60.0° | 173.7° |
| C8 | C7 | C9 | H18 | 60.0° | 66.3° |
| C7 | C8 | S1 | H19 | 180.0° | 179.9° |
| C6 | C7 | C9 | H4 | 120.3° | 120.0° |
| C7 | C6 | N1 | C2 | 174.2° | 174.4° |
| C7 | C6 | N1 | C3 | 4.0° | 5.3° |
| C6 | C7 | C8 | H5 | 173.6° | 54.9° |
| C6 | C7 | C8 | H6 | 54.7° | 65.0° |
| C6 | C7 | C9 | H16 | 60.9° | 66.3° |
| C6 | C7 | C9 | H17 | 179.1° | 53.7° |
| C6 | C7 | C9 | H18 | 59.1° | 173.7° |
| N1 | C6 | C7 | C9 | 110.0° | 79.7° |
| C6 | N1 | C2 | C1 | 124.9° | 126.7° |
| C6 | N1 | C2 | C3 | 178.4° | 179.7° |
| C6 | N1 | C3 | C4 | 125.9° | 126.4° |
| N1 | C6 | C7 | H4 | 10.5° | 40.3° |
| C6 | N1 | C3 | H10 | 6.1° | 6.7° |
| C6 | N1 | C3 | H11 | 114.2° | 113.8° |
| C6 | N1 | C2 | H14 | 4.6° | 113.5° |
| C6 | N1 | C2 | H15 | 114.9° | 6.9° |
| C9 | C7 | C8 | H5 | 57.2° | 175.0° |
| C9 | C7 | C8 | H6 | 61.6° | 55.0° |
| C7 | C9 | H16 | H17 | 120.0° | 120.0° |
| C7 | C9 | H16 | H18 | 120.0° | 120.0° |
| C7 | C9 | H17 | H18 | 120.0° | 120.0° |
| C1 | C2 | N1 | H14 | 120.3° | 119.8° |
| C1 | C2 | N1 | H15 | 120.3° | 119.8° |
| C2 | C1 | C5 | H12 | 119.9° | 119.7° |
| C2 | C1 | C5 | H13 | 119.9° | 120.2° |
| C1 | C2 | N1 | C3 | 56.7° | 53.6° |
| C2 | C1 | C5 | C10 | 179.2° | 178.8° |
| C2 | C1 | C5 | C4 | 58.9° | 60.9° |
| C2 | C1 | C5 | H3 | 61.3° | 59.1° |
| C2 | C1 | H12 | H13 | 120.1° | 120.0° |
| C1 | C2 | H14 | H15 | 119.2° | 120.4° |
| N1 | C2 | C1 | C5 | 56.1° | 54.3° |
| C2 | N1 | C3 | C4 | 55.8° | 53.9° |
| C2 | N1 | C3 | H10 | 175.6° | 173.6° |
| C2 | N1 | C3 | H11 | 64.1° | 65.9° |
| N1 | C2 | C1 | H12 | 176.1° | 65.6° |
| N1 | C2 | C1 | H13 | 63.8° | 174.5° |
| N1 | C2 | H14 | H15 | 119.2° | 120.3° |
| C1 | C5 | C10 | C4 | 121.0° | 120.5° |
| C1 | C5 | C10 | H3 | 119.7° | 119.5° |
| C1 | C5 | C4 | H3 | 120.6° | 119.7° |
| C1 | C5 | C4 | C3 | 59.8° | 61.0° |
| C1 | C5 | C10 | C11 | 169.3° | 64.5° |
| C1 | C5 | C4 | H1 | 179.8° | 179.0° |
| C1 | C5 | C4 | H2 | 60.3° | 59.0° |
| C1 | C5 | C10 | H7 | 49.4° | 55.5° |
| C1 | C5 | C10 | H8 | 70.8° | 175.5° |
| C5 | C1 | H12 | H13 | 120.2° | 120.1° |
| C5 | C1 | C2 | H14 | 176.4° | 65.5° |
| C5 | C1 | C2 | H15 | 64.1° | 174.0° |
| N1 | C3 | C4 | C5 | 56.1° | 54.6° |
| N1 | C3 | C4 | H10 | 119.8° | 119.8° |
| N1 | C3 | C4 | H11 | 119.8° | 119.8° |
| N1 | C3 | C4 | H1 | 176.1° | 174.6° |
| N1 | C3 | C4 | H2 | 63.9° | 65.4° |
| N1 | C3 | H10 | H11 | 120.4° | 120.4° |
| C3 | N1 | C2 | H14 | 177.0° | 66.2° |
| C3 | N1 | C2 | H15 | 63.6° | 173.4° |
| C10 | C5 | C4 | H3 | 119.5° | 119.9° |
| C10 | C5 | C4 | C3 | 179.7° | 178.6° |
| C5 | C10 | C11 | H7 | 119.9° | 120.0° |
| C5 | C10 | C11 | H8 | 120.0° | 120.0° |
| C5 | C10 | C11 | O2 | 135.1° | 0.0° |
| C5 | C10 | C11 | O3 | 47.0° | 180.0° |
| C10 | C5 | C4 | H1 | 60.3° | 58.6° |
| C10 | C5 | C4 | H2 | 59.7° | 61.4° |
| C5 | C10 | H7 | H8 | 120.2° | 120.0° |
| C10 | C5 | C1 | H12 | 60.9° | 61.5° |
| C10 | C5 | C1 | H13 | 59.2° | 58.6° |
| C5 | C4 | C3 | H1 | 120.0° | 120.0° |
| C5 | C4 | C3 | H2 | 120.0° | 120.0° |
| C4 | C5 | C10 | C11 | 69.7° | 175.0° |
| C5 | C4 | H1 | H2 | 120.0° | 120.1° |
| C4 | C5 | C10 | H7 | 170.3° | 65.0° |
| C4 | C5 | C10 | H8 | 50.2° | 55.0° |
| C5 | C4 | C3 | H10 | 175.9° | 174.4° |
| C5 | C4 | C3 | H11 | 63.8° | 65.1° |
| C4 | C5 | C1 | H12 | 178.9° | 58.8° |
| C4 | C5 | C1 | H13 | 61.0° | 178.9° |
| C3 | C4 | H1 | H2 | 120.0° | 120.0° |
| C3 | C4 | C5 | H3 | 60.8° | 58.6° |
| C4 | C3 | H10 | H11 | 120.5° | 120.4° |
| C10 | C11 | O2 | O3 | 177.6° | 180.0° |
| C11 | C10 | C5 | H3 | 49.6° | 55.0° |
| C11 | C10 | H7 | H8 | 120.1° | 120.0° |
| C10 | C11 | O3 | H9 | 177.6° | 180.0° |
| O2 | C11 | C10 | H7 | 105.0° | 120.0° |
| O2 | C11 | C10 | H8 | 15.1° | 120.0° |
| O2 | C11 | O3 | H9 | 0.0° | 0.0° |
| O3 | C11 | C10 | H7 | 72.9° | 60.0° |
| O3 | C11 | C10 | H8 | 167.0° | 60.0° |
| H1 | C4 | C5 | H3 | 59.2° | 61.3° |
| H1 | C4 | C3 | H10 | 64.1° | 65.6° |
| H1 | C4 | C3 | H11 | 56.3° | 54.9° |
| H2 | C4 | C5 | H3 | 179.2° | 178.6° |
| H2 | C4 | C3 | H10 | 55.9° | 54.4° |
| H2 | C4 | C3 | H11 | 176.2° | 174.9° |
| H3 | C5 | C10 | H7 | 70.3° | 175.0° |
| H3 | C5 | C10 | H8 | 169.6° | 65.0° |
| H3 | C5 | C1 | H12 | 58.6° | 178.7° |
| H3 | C5 | C1 | H13 | 178.7° | 61.2° |
| H4 | C7 | C8 | H5 | 63.7° | 65.0° |
| H4 | C7 | C8 | H6 | 177.5° | 175.0° |
| H4 | C7 | C9 | H16 | 59.5° | 173.7° |
| H4 | C7 | C9 | H17 | 60.5° | 66.3° |
| H4 | C7 | C9 | H18 | 179.5° | 53.7° |
| H5 | C8 | S1 | H19 | 59.4° | 60.0° |
| H6 | C8 | S1 | H19 | 59.5° | 60.0° |
| H12 | C1 | C2 | H14 | 63.6° | 174.6° |
| H12 | C1 | C2 | H15 | 55.8° | 54.2° |
| H13 | C1 | C2 | H14 | 56.4° | 54.7° |
| H13 | C1 | C2 | H15 | 175.9° | 65.8° |
| H16 | C9 | H17 | H18 | 120.0° | 120.0° |
