EWY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C18 | doub | 1.22Å | 1.22Å | |
| C18 | C22 | sing | 1.41Å | 1.41Å | |
| C18 | N19 | sing | 1.35Å | 1.36Å | |
| C22 | C17 | doub | 1.36Å | 1.41Å | |
| N19 | C15 | sing | 1.36Å | 1.35Å | |
| C17 | C21 | sing | 1.51Å | 1.50Å | |
| C17 | N16 | sing | 1.33Å | 1.37Å | |
| C15 | N16 | doub | 1.32Å | 1.37Å | |
| C15 | S14 | sing | 1.76Å | 1.77Å | |
| S14 | C13 | sing | 1.81Å | 1.84Å | |
| C13 | C11 | sing | 1.51Å | 1.50Å | |
| O12 | C11 | doub | 1.21Å | 1.24Å | |
| C11 | C2 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | doub | 1.40Å | 1.43Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | S7 | sing | 1.76Å | 1.80Å | |
| N10 | S7 | sing | 1.66Å | 1.60Å | |
| O9 | S7 | doub | 1.42Å | 1.47Å | |
| S7 | O8 | doub | 1.42Å | 1.50Å | |
| C22 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| N10 | H9 | sing | 0.97Å | 1.00Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| C5 | H11 | sing | 1.08Å | 1.08Å | |
| C6 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| N19 | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | C18 | C22 | 122.8° | 120.7° |
| O20 | C18 | N19 | 118.9° | 120.6° |
| C22 | C18 | N19 | 118.3° | 118.7° |
| C18 | C22 | C17 | 119.6° | 118.9° |
| C18 | C22 | H1 | 120.2° | 120.5° |
| C18 | N19 | C15 | 121.5° | 119.8° |
| C18 | N19 | H2 | 119.2° | 120.1° |
| C22 | C17 | C21 | 120.6° | 119.9° |
| C22 | C17 | N16 | 119.6° | 120.1° |
| C17 | C22 | H1 | 120.2° | 120.5° |
| N19 | C15 | N16 | 121.4° | 121.1° |
| N19 | C15 | S14 | 113.4° | 119.5° |
| C15 | N19 | H2 | 119.3° | 120.1° |
| C21 | C17 | N16 | 119.8° | 119.9° |
| C17 | C21 | H3 | 109.5° | 109.5° |
| C17 | C21 | H4 | 109.5° | 109.5° |
| C17 | C21 | H5 | 109.5° | 109.5° |
| C17 | N16 | C15 | 119.5° | 121.4° |
| N16 | C15 | S14 | 125.1° | 119.5° |
| C15 | S14 | C13 | 97.4° | 100.0° |
| S14 | C13 | C11 | 112.5° | 109.5° |
| S14 | C13 | H6 | 108.7° | 109.5° |
| S14 | C13 | H7 | 108.7° | 109.5° |
| C13 | C11 | O12 | 115.6° | 120.0° |
| C13 | C11 | C2 | 123.9° | 120.0° |
| C11 | C13 | H6 | 108.7° | 109.4° |
| C11 | C13 | H7 | 108.7° | 109.5° |
| O12 | C11 | C2 | 120.5° | 120.0° |
| C11 | C2 | C1 | 120.2° | 120.2° |
| C11 | C2 | C3 | 121.4° | 120.2° |
| C1 | C2 | C3 | 118.3° | 119.6° |
| C2 | C1 | C6 | 117.9° | 119.9° |
| C2 | C1 | H13 | 121.0° | 120.0° |
| C2 | C3 | C4 | 123.0° | 119.9° |
| C2 | C3 | H8 | 118.5° | 120.0° |
| C1 | C6 | C5 | 123.2° | 120.1° |
| C1 | C6 | H12 | 118.4° | 119.9° |
| C6 | C1 | H13 | 121.1° | 120.1° |
| C6 | C5 | C4 | 119.0° | 120.4° |
| C6 | C5 | H11 | 120.5° | 119.8° |
| C5 | C6 | H12 | 118.4° | 120.0° |
| C3 | C4 | C5 | 118.1° | 120.2° |
| C3 | C4 | S7 | 122.5° | 119.9° |
| C4 | C3 | H8 | 118.5° | 120.1° |
| C5 | C4 | S7 | 119.0° | 119.9° |
| C4 | C5 | H11 | 120.5° | 119.8° |
| C4 | S7 | N10 | 105.2° | 107.2° |
| C4 | S7 | O9 | 111.9° | 106.4° |
| C4 | S7 | O8 | 107.4° | 106.4° |
| N10 | S7 | O9 | 109.4° | 106.4° |
| N10 | S7 | O8 | 109.4° | 106.4° |
| S7 | N10 | H9 | 109.5° | 120.0° |
| S7 | N10 | H10 | 109.4° | 120.0° |
| O9 | S7 | O8 | 113.3° | 123.2° |
| H3 | C21 | H4 | 109.4° | 109.4° |
| H3 | C21 | H5 | 109.5° | 109.5° |
| H4 | C21 | H5 | 109.4° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H9 | N10 | H10 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C18 | C22 | N19 | 178.3° | 179.7° |
| O20 | C18 | C22 | C17 | 178.9° | 180.0° |
| O20 | C18 | N19 | C15 | 179.3° | 179.7° |
| O20 | C18 | C22 | H1 | 1.1° | 0.0° |
| O20 | C18 | N19 | H2 | 0.7° | 0.0° |
| C18 | C22 | C17 | H1 | 180.0° | 179.9° |
| C22 | C18 | N19 | C15 | 0.9° | 0.6° |
| C18 | C22 | C17 | C21 | 179.9° | 179.9° |
| C18 | C22 | C17 | N16 | 0.3° | 0.0° |
| C22 | C18 | N19 | H2 | 179.1° | 179.7° |
| N19 | C18 | C22 | C17 | 0.6° | 0.3° |
| C18 | N19 | C15 | H2 | 180.0° | 179.7° |
| C18 | N19 | C15 | N16 | 0.4° | 0.6° |
| C18 | N19 | C15 | S14 | 179.8° | 179.9° |
| N19 | C18 | C22 | H1 | 179.4° | 179.7° |
| C22 | C17 | C21 | N16 | 179.6° | 180.0° |
| C22 | C17 | N16 | C15 | 0.8° | 0.0° |
| C22 | C17 | C21 | H3 | 179.7° | 90.1° |
| C22 | C17 | C21 | H4 | 60.3° | 150.0° |
| C22 | C17 | C21 | H5 | 59.6° | 30.0° |
| N19 | C15 | N16 | C17 | 0.4° | 0.3° |
| N19 | C15 | N16 | S14 | 179.3° | 179.4° |
| N19 | C15 | S14 | C13 | 174.2° | 180.0° |
| C21 | C17 | N16 | C15 | 179.6° | 180.0° |
| C21 | C17 | C22 | H1 | 0.1° | 0.0° |
| C17 | C21 | H3 | H4 | 120.0° | 120.0° |
| C17 | C21 | H3 | H5 | 120.0° | 120.1° |
| C17 | C21 | H4 | H5 | 120.0° | 120.0° |
| C17 | N16 | C15 | S14 | 178.8° | 179.8° |
| N16 | C17 | C22 | H1 | 179.7° | 179.9° |
| N16 | C17 | C21 | H3 | 0.0° | 89.9° |
| N16 | C17 | C21 | H4 | 120.0° | 30.0° |
| N16 | C17 | C21 | H5 | 120.0° | 150.0° |
| N16 | C15 | S14 | C13 | 6.5° | 0.5° |
| N16 | C15 | N19 | H2 | 179.5° | 179.7° |
| C15 | S14 | C13 | C11 | 175.7° | 180.0° |
| C15 | S14 | C13 | H6 | 55.3° | 60.0° |
| C15 | S14 | C13 | H7 | 63.8° | 60.0° |
| S14 | C15 | N19 | H2 | 0.2° | 0.2° |
| S14 | C13 | C11 | H6 | 120.5° | 120.0° |
| S14 | C13 | C11 | H7 | 120.4° | 120.1° |
| S14 | C13 | C11 | O12 | 5.6° | 0.1° |
| S14 | C13 | C11 | C2 | 174.4° | 180.0° |
| S14 | C13 | H6 | H7 | 118.6° | 120.0° |
| C13 | C11 | O12 | C2 | 180.0° | 179.9° |
| C13 | C11 | C2 | C1 | 1.4° | 0.0° |
| C13 | C11 | C2 | C3 | 178.0° | 179.7° |
| C11 | C13 | H6 | H7 | 118.6° | 120.0° |
| O12 | C11 | C2 | C1 | 178.6° | 180.0° |
| O12 | C11 | C2 | C3 | 2.0° | 0.3° |
| O12 | C11 | C13 | H6 | 126.1° | 120.0° |
| O12 | C11 | C13 | H7 | 114.8° | 120.0° |
| C11 | C2 | C1 | C3 | 176.7° | 179.7° |
| C11 | C2 | C1 | C6 | 176.6° | 179.8° |
| C11 | C2 | C3 | C4 | 179.0° | 180.0° |
| C2 | C11 | C13 | H6 | 53.9° | 60.0° |
| C2 | C11 | C13 | H7 | 65.2° | 59.9° |
| C11 | C2 | C3 | H8 | 0.9° | 0.1° |
| C11 | C2 | C1 | H13 | 3.3° | 0.0° |
| C2 | C1 | C6 | H13 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 8.3° | 0.5° |
| C1 | C2 | C3 | C4 | 4.3° | 0.3° |
| C1 | C2 | C3 | H8 | 175.7° | 179.8° |
| C2 | C1 | C6 | H12 | 171.7° | 179.7° |
| C3 | C2 | C1 | C6 | 6.7° | 0.5° |
| C2 | C3 | C4 | H8 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 3.1° | 0.1° |
| C2 | C3 | C4 | S7 | 175.5° | 180.0° |
| C3 | C2 | C1 | H13 | 173.3° | 179.7° |
| C1 | C6 | C5 | H12 | 180.0° | 179.8° |
| C1 | C6 | C5 | C4 | 7.1° | 0.3° |
| C1 | C6 | C5 | H11 | 172.9° | 179.7° |
| C6 | C5 | C4 | C3 | 4.2° | 0.1° |
| C6 | C5 | C4 | H11 | 180.0° | 180.0° |
| C6 | C5 | C4 | S7 | 176.9° | 180.0° |
| C5 | C6 | C1 | H13 | 171.7° | 179.8° |
| C3 | C4 | C5 | S7 | 172.7° | 179.9° |
| C3 | C4 | S7 | N10 | 122.7° | 89.9° |
| C3 | C4 | S7 | O9 | 4.0° | 23.6° |
| C3 | C4 | S7 | O8 | 120.9° | 156.5° |
| C3 | C4 | C5 | H11 | 175.8° | 179.9° |
| C5 | C4 | S7 | N10 | 64.9° | 90.0° |
| C5 | C4 | S7 | O9 | 176.4° | 156.5° |
| C5 | C4 | S7 | O8 | 51.5° | 23.6° |
| C5 | C4 | C3 | H8 | 177.0° | 179.9° |
| C4 | C5 | C6 | H12 | 172.9° | 180.0° |
| C4 | S7 | N10 | O9 | 120.3° | 113.5° |
| C4 | S7 | N10 | O8 | 115.1° | 113.6° |
| C4 | S7 | O9 | O8 | 121.5° | 122.9° |
| S7 | C4 | C3 | H8 | 4.5° | 0.2° |
| C4 | S7 | N10 | H9 | 180.0° | 150.1° |
| C4 | S7 | N10 | H10 | 60.0° | 30.0° |
| S7 | C4 | C5 | H11 | 3.1° | 0.0° |
| N10 | S7 | O9 | O8 | 122.3° | 123.0° |
| S7 | N10 | H9 | H10 | 120.0° | 179.9° |
| O9 | S7 | N10 | H9 | 59.7° | 96.4° |
| O9 | S7 | N10 | H10 | 60.3° | 83.5° |
| O8 | S7 | N10 | H9 | 64.9° | 36.5° |
| O8 | S7 | N10 | H10 | 175.1° | 143.6° |
| H3 | C21 | H4 | H5 | 120.0° | 120.0° |
| H11 | C5 | C6 | H12 | 7.1° | 0.1° |
| H12 | C6 | C1 | H13 | 8.3° | 0.0° |
