EWZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S10 | C6 | sing | 1.76Å | 1.75Å | |
| S10 | C11 | sing | 1.81Å | 1.80Å | |
| N1 | C6 | sing | 1.36Å | 1.41Å | |
| N1 | C2 | sing | 1.35Å | 1.38Å | |
| O7 | C2 | doub | 1.22Å | 1.23Å | |
| C6 | N5 | doub | 1.32Å | 1.26Å | |
| C2 | C3 | sing | 1.41Å | 1.46Å | |
| O13 | C12 | doub | 1.21Å | 1.23Å | |
| N5 | C4 | sing | 1.33Å | 1.39Å | |
| C15 | C8 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | doub | 1.36Å | 1.33Å | |
| C4 | C8 | sing | 1.51Å | 1.46Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | C16 | sing | 1.47Å | 1.52Å | |
| C8 | C14 | sing | 1.53Å | 1.58Å | |
| C8 | C9 | sing | 1.53Å | 1.56Å | |
| C16 | C21 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | S22 | sing | 1.76Å | 1.82Å | |
| C19 | CL | sing | 1.74Å | 1.70Å | |
| N26 | S22 | sing | 1.66Å | 1.72Å | |
| S22 | O25 | doub | 1.42Å | 1.42Å | |
| S22 | O23 | doub | 1.42Å | 1.50Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| N26 | H17 | sing | 0.97Å | 1.00Å | |
| N26 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | S10 | C11 | 107.5° | 100.0° |
| S10 | C6 | N1 | 123.5° | 119.4° |
| S10 | C6 | N5 | 117.2° | 119.4° |
| S10 | C11 | C12 | 117.0° | 109.4° |
| S10 | C11 | H12 | 107.6° | 109.5° |
| S10 | C11 | H13 | 107.5° | 109.5° |
| C6 | N1 | C2 | 120.6° | 119.7° |
| N1 | C6 | N5 | 119.4° | 121.2° |
| C6 | N1 | H11 | 119.7° | 120.1° |
| N1 | C2 | O7 | 119.0° | 120.6° |
| N1 | C2 | C3 | 118.7° | 118.8° |
| C2 | N1 | H11 | 119.7° | 120.2° |
| O7 | C2 | C3 | 122.2° | 120.6° |
| C6 | N5 | C4 | 122.0° | 121.3° |
| C2 | C3 | C4 | 115.5° | 118.9° |
| C2 | C3 | H1 | 122.2° | 120.5° |
| O13 | C12 | C11 | 116.8° | 120.0° |
| O13 | C12 | C16 | 116.3° | 120.0° |
| N5 | C4 | C3 | 123.8° | 120.2° |
| N5 | C4 | C8 | 117.4° | 119.9° |
| C15 | C8 | C4 | 116.5° | 109.4° |
| C15 | C8 | C14 | 113.0° | 109.4° |
| C15 | C8 | C9 | 115.6° | 109.5° |
| C8 | C15 | H2 | 109.5° | 109.5° |
| C8 | C15 | H3 | 109.5° | 109.5° |
| C8 | C15 | H4 | 109.5° | 109.5° |
| C3 | C4 | C8 | 118.7° | 119.9° |
| C4 | C3 | H1 | 122.3° | 120.6° |
| C4 | C8 | C14 | 104.6° | 109.5° |
| C4 | C8 | C9 | 99.8° | 109.5° |
| C11 | C12 | C16 | 126.8° | 120.0° |
| C12 | C11 | H12 | 107.6° | 109.4° |
| C12 | C11 | H13 | 107.6° | 109.5° |
| C12 | C16 | C21 | 123.0° | 120.2° |
| C12 | C16 | C17 | 118.9° | 120.1° |
| C14 | C8 | C9 | 105.8° | 109.5° |
| C8 | C14 | H5 | 109.5° | 109.4° |
| C8 | C14 | H6 | 109.5° | 109.5° |
| C8 | C14 | H7 | 109.5° | 109.5° |
| C8 | C9 | H8 | 109.5° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C9 | H10 | 109.5° | 109.5° |
| C21 | C16 | C17 | 118.1° | 119.7° |
| C16 | C21 | C20 | 121.0° | 119.8° |
| C16 | C21 | H14 | 119.5° | 120.1° |
| C16 | C17 | C18 | 121.7° | 119.8° |
| C16 | C17 | H16 | 119.1° | 120.1° |
| C21 | C20 | C19 | 118.4° | 120.2° |
| C20 | C21 | H14 | 119.5° | 120.1° |
| C21 | C20 | H15 | 120.8° | 119.9° |
| C17 | C18 | C19 | 118.7° | 120.1° |
| C17 | C18 | S22 | 119.1° | 119.9° |
| C18 | C17 | H16 | 119.2° | 120.1° |
| C20 | C19 | C18 | 122.0° | 120.3° |
| C20 | C19 | CL | 118.6° | 119.9° |
| C19 | C20 | H15 | 120.8° | 119.9° |
| C19 | C18 | S22 | 122.0° | 119.9° |
| C18 | C19 | CL | 119.4° | 119.8° |
| C18 | S22 | N26 | 105.5° | 107.2° |
| C18 | S22 | O25 | 99.6° | 106.4° |
| C18 | S22 | O23 | 110.8° | 106.4° |
| N26 | S22 | O25 | 121.4° | 106.4° |
| N26 | S22 | O23 | 107.7° | 106.4° |
| S22 | N26 | H17 | 109.5° | 120.0° |
| S22 | N26 | H18 | 109.5° | 120.0° |
| O25 | S22 | O23 | 111.3° | 123.2° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H2 | C15 | H4 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.4° | 109.4° |
| H5 | C14 | H6 | 109.5° | 109.5° |
| H5 | C14 | H7 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.4° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.4° |
| H8 | C9 | H10 | 109.5° | 109.4° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.4° | 109.5° |
| H17 | N26 | H18 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S10 | C6 | N1 | N5 | 180.0° | 179.4° |
| S10 | C6 | N1 | C2 | 180.0° | 180.0° |
| S10 | C6 | N5 | C4 | 180.0° | 179.7° |
| C6 | S10 | C11 | C12 | 59.7° | 180.0° |
| S10 | C6 | N1 | H11 | 0.0° | 0.6° |
| C6 | S10 | C11 | H12 | 179.2° | 60.0° |
| C6 | S10 | C11 | H13 | 61.5° | 60.0° |
| C11 | S10 | C6 | N1 | 145.0° | 180.0° |
| C11 | S10 | C6 | N5 | 35.0° | 0.5° |
| S10 | C11 | C12 | O13 | 24.2° | 0.0° |
| S10 | C11 | C12 | H12 | 121.1° | 119.9° |
| S10 | C11 | C12 | H13 | 121.1° | 120.0° |
| S10 | C11 | C12 | C16 | 152.7° | 180.0° |
| S10 | C11 | H12 | H13 | 116.5° | 120.0° |
| C6 | N1 | C2 | H11 | 180.0° | 179.4° |
| C6 | N1 | C2 | O7 | 180.0° | 179.7° |
| C6 | N1 | C2 | C3 | 0.0° | 0.6° |
| N1 | C6 | N5 | C4 | 0.0° | 0.3° |
| N1 | C2 | O7 | C3 | 180.0° | 179.7° |
| C2 | N1 | C6 | N5 | 0.1° | 0.6° |
| N1 | C2 | C3 | C4 | 0.0° | 0.3° |
| N1 | C2 | C3 | H1 | 180.0° | 179.8° |
| O7 | C2 | C3 | C4 | 180.0° | 180.0° |
| O7 | C2 | C3 | H1 | 0.0° | 0.0° |
| O7 | C2 | N1 | H11 | 0.0° | 0.3° |
| C6 | N5 | C4 | C3 | 0.1° | 0.0° |
| C6 | N5 | C4 | C8 | 180.0° | 180.0° |
| N5 | C6 | N1 | H11 | 179.9° | 180.0° |
| C2 | C3 | C4 | N5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | C8 | 180.0° | 180.0° |
| C3 | C2 | N1 | H11 | 180.0° | 180.0° |
| O13 | C12 | C11 | C16 | 176.9° | 179.9° |
| O13 | C12 | C16 | C21 | 23.9° | 180.0° |
| O13 | C12 | C16 | C17 | 157.5° | 0.3° |
| O13 | C12 | C11 | H12 | 96.9° | 120.0° |
| O13 | C12 | C11 | H13 | 145.3° | 120.0° |
| N5 | C4 | C8 | C15 | 74.7° | 60.0° |
| N5 | C4 | C3 | C8 | 179.9° | 179.9° |
| N5 | C4 | C8 | C14 | 159.8° | 180.0° |
| N5 | C4 | C8 | C9 | 50.5° | 60.0° |
| N5 | C4 | C3 | H1 | 179.9° | 180.0° |
| C15 | C8 | C4 | C3 | 105.5° | 120.0° |
| C15 | C8 | C4 | C14 | 125.5° | 120.0° |
| C15 | C8 | C4 | C9 | 125.2° | 120.0° |
| C15 | C8 | C14 | C9 | 127.4° | 120.0° |
| C8 | C15 | H2 | H3 | 120.0° | 120.0° |
| C8 | C15 | H2 | H4 | 120.0° | 120.0° |
| C8 | C15 | H3 | H4 | 120.0° | 120.0° |
| C15 | C8 | C14 | H5 | 180.0° | 180.0° |
| C15 | C8 | C14 | H6 | 60.0° | 60.0° |
| C15 | C8 | C14 | H7 | 60.0° | 60.0° |
| C15 | C8 | C9 | H8 | 180.0° | 60.0° |
| C15 | C8 | C9 | H9 | 60.0° | 60.0° |
| C15 | C8 | C9 | H10 | 60.0° | 180.0° |
| C3 | C4 | C8 | C14 | 20.0° | 0.1° |
| C3 | C4 | C8 | C9 | 129.4° | 120.0° |
| C4 | C8 | C14 | C9 | 104.9° | 120.1° |
| C8 | C4 | C3 | H1 | 0.0° | 0.1° |
| C4 | C8 | C15 | H2 | 180.0° | 60.0° |
| C4 | C8 | C15 | H3 | 60.0° | 180.0° |
| C4 | C8 | C15 | H4 | 60.0° | 60.0° |
| C4 | C8 | C14 | H5 | 52.3° | 60.0° |
| C4 | C8 | C14 | H6 | 67.7° | 180.0° |
| C4 | C8 | C14 | H7 | 172.4° | 59.9° |
| C4 | C8 | C9 | H8 | 54.2° | 60.0° |
| C4 | C8 | C9 | H9 | 174.2° | 180.0° |
| C4 | C8 | C9 | H10 | 65.8° | 60.0° |
| C11 | C12 | C16 | C21 | 153.0° | 0.1° |
| C11 | C12 | C16 | C17 | 25.5° | 179.7° |
| C12 | C11 | H12 | H13 | 116.6° | 120.0° |
| C12 | C16 | C21 | C17 | 178.6° | 179.7° |
| C12 | C16 | C21 | C20 | 179.3° | 180.0° |
| C12 | C16 | C17 | C18 | 178.6° | 179.8° |
| C16 | C12 | C11 | H12 | 86.2° | 60.1° |
| C16 | C12 | C11 | H13 | 31.6° | 60.0° |
| C12 | C16 | C21 | H14 | 0.7° | 0.0° |
| C12 | C16 | C17 | H16 | 1.4° | 0.0° |
| C14 | C8 | C15 | H2 | 58.8° | 60.0° |
| C14 | C8 | C15 | H3 | 61.2° | 60.0° |
| C14 | C8 | C15 | H4 | 178.9° | 180.0° |
| C8 | C14 | H5 | H6 | 120.0° | 120.0° |
| C8 | C14 | H5 | H7 | 120.0° | 120.0° |
| C8 | C14 | H6 | H7 | 120.0° | 120.0° |
| C14 | C8 | C9 | H8 | 54.1° | 180.0° |
| C14 | C8 | C9 | H9 | 65.9° | 60.0° |
| C14 | C8 | C9 | H10 | 174.1° | 60.1° |
| C9 | C8 | C15 | H2 | 63.3° | 180.0° |
| C9 | C8 | C15 | H3 | 176.7° | 60.0° |
| C9 | C8 | C15 | H4 | 56.8° | 60.0° |
| C9 | C8 | C14 | H5 | 52.6° | 60.0° |
| C9 | C8 | C14 | H6 | 172.6° | 60.0° |
| C9 | C8 | C14 | H7 | 67.5° | 180.0° |
| C8 | C9 | H8 | H9 | 120.0° | 120.0° |
| C8 | C9 | H8 | H10 | 120.0° | 120.0° |
| C8 | C9 | H9 | H10 | 120.0° | 120.0° |
| C16 | C21 | C20 | H14 | 180.0° | 180.0° |
| C21 | C16 | C17 | C18 | 0.0° | 0.5° |
| C16 | C21 | C20 | C19 | 0.2° | 0.1° |
| C16 | C21 | C20 | H15 | 179.8° | 180.0° |
| C21 | C16 | C17 | H16 | 180.0° | 179.7° |
| C17 | C16 | C21 | C20 | 0.7° | 0.2° |
| C16 | C17 | C18 | H16 | 180.0° | 179.7° |
| C16 | C17 | C18 | C19 | 1.5° | 0.5° |
| C16 | C17 | C18 | S22 | 176.4° | 180.0° |
| C17 | C16 | C21 | H14 | 179.3° | 179.7° |
| C21 | C20 | C19 | H15 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 1.8° | 0.1° |
| C21 | C20 | C19 | CL | 179.9° | 180.0° |
| C17 | C18 | C19 | C20 | 2.4° | 0.1° |
| C17 | C18 | C19 | S22 | 174.7° | 179.6° |
| C17 | C18 | C19 | CL | 179.5° | 179.8° |
| C17 | C18 | S22 | N26 | 8.0° | 115.0° |
| C17 | C18 | S22 | O25 | 118.5° | 1.4° |
| C17 | C18 | S22 | O23 | 124.3° | 131.5° |
| C20 | C19 | C18 | CL | 178.1° | 179.9° |
| C20 | C19 | C18 | S22 | 177.1° | 179.7° |
| C19 | C20 | C21 | H14 | 179.8° | 179.9° |
| C19 | C18 | S22 | N26 | 177.3° | 65.4° |
| C19 | C18 | S22 | O25 | 56.2° | 179.0° |
| C19 | C18 | S22 | O23 | 61.1° | 48.1° |
| C18 | C19 | C20 | H15 | 178.3° | 180.0° |
| C19 | C18 | C17 | H16 | 178.4° | 179.8° |
| S22 | C18 | C19 | CL | 4.8° | 0.2° |
| C18 | S22 | N26 | O25 | 111.8° | 113.6° |
| C18 | S22 | N26 | O23 | 118.3° | 113.5° |
| C18 | S22 | O25 | O23 | 116.9° | 123.0° |
| S22 | C18 | C17 | H16 | 3.6° | 0.2° |
| C18 | S22 | N26 | H17 | 180.0° | 0.0° |
| C18 | S22 | N26 | H18 | 60.0° | 180.0° |
| CL | C19 | C20 | H15 | 0.2° | 0.1° |
| N26 | S22 | O25 | O23 | 128.3° | 122.9° |
| S22 | N26 | H17 | H18 | 120.0° | 179.9° |
| O25 | S22 | N26 | H17 | 68.2° | 113.6° |
| O25 | S22 | N26 | H18 | 51.8° | 66.5° |
| O23 | S22 | N26 | H17 | 61.7° | 113.5° |
| O23 | S22 | N26 | H18 | 178.3° | 66.4° |
| H2 | C15 | H3 | H4 | 120.0° | 120.0° |
| H5 | C14 | H6 | H7 | 120.0° | 120.0° |
| H8 | C9 | H9 | H10 | 120.0° | 120.0° |
| H14 | C21 | C20 | H15 | 0.1° | 0.1° |
