EEZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O30 | S27 | doub | 1.42Å | 1.45Å | |
| S27 | C24 | sing | 1.76Å | 1.77Å | |
| S27 | O31 | doub | 1.42Å | 1.45Å | |
| S27 | C28 | sing | 1.81Å | 1.80Å | |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.53Å | |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C20 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | O19 | doub | 1.21Å | 1.22Å | |
| C18 | N9 | sing | 1.35Å | 1.35Å | |
| N9 | C6 | sing | 1.40Å | 1.42Å | |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | N4 | sing | 1.32Å | 1.34Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| N4 | C3 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | CL8 | sing | 1.74Å | 1.75Å | |
| C3 | O7 | sing | 1.36Å | 1.39Å | |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| O7 | C10 | sing | 1.43Å | 1.44Å | |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.54Å | |
| C10 | C17 | sing | 1.53Å | 1.55Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C5 | H21 | sing | 1.08Å | 1.08Å | |
| N9 | H22 | sing | 0.97Å | 1.00Å | |
| C10 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O30 | S27 | C24 | 106.3° | 104.3° |
| O30 | S27 | O31 | 117.2° | 121.0° |
| O30 | S27 | C28 | 107.8° | 110.5° |
| C24 | S27 | O31 | 110.2° | 104.3° |
| C24 | S27 | C28 | 103.3° | 104.5° |
| S27 | C24 | C23 | 119.6° | 120.0° |
| S27 | C24 | C25 | 119.5° | 120.0° |
| O31 | S27 | C28 | 111.0° | 110.6° |
| S27 | C28 | C29 | 110.4° | 109.5° |
| S27 | C28 | H16 | 109.2° | 109.5° |
| S27 | C28 | H17 | 109.2° | 109.4° |
| C22 | C23 | C24 | 119.7° | 120.0° |
| C23 | C22 | C21 | 119.7° | 120.0° |
| C23 | C22 | H12 | 120.2° | 120.0° |
| C22 | C23 | H13 | 120.2° | 120.0° |
| C23 | C24 | C25 | 120.9° | 120.0° |
| C24 | C23 | H13 | 120.1° | 120.0° |
| C22 | C21 | C26 | 120.5° | 120.0° |
| C22 | C21 | C20 | 119.1° | 120.0° |
| C21 | C22 | H12 | 120.2° | 120.0° |
| C24 | C25 | C26 | 119.3° | 120.0° |
| C24 | C25 | H14 | 120.3° | 120.0° |
| C26 | C21 | C20 | 120.4° | 120.0° |
| C21 | C26 | C25 | 119.8° | 120.1° |
| C21 | C26 | H15 | 120.1° | 120.0° |
| C21 | C20 | C18 | 103.6° | 109.4° |
| C21 | C20 | H10 | 110.9° | 109.4° |
| C21 | C20 | H11 | 110.9° | 109.4° |
| C26 | C25 | H14 | 120.4° | 120.1° |
| C25 | C26 | H15 | 120.1° | 119.9° |
| C29 | C28 | H16 | 109.2° | 109.5° |
| C29 | C28 | H17 | 109.3° | 109.5° |
| C28 | C29 | H18 | 109.5° | 109.4° |
| C28 | C29 | H19 | 109.5° | 109.5° |
| C28 | C29 | H20 | 109.5° | 109.4° |
| C20 | C18 | O19 | 120.1° | 120.1° |
| C20 | C18 | N9 | 115.3° | 119.9° |
| C18 | C20 | H10 | 110.9° | 109.6° |
| C18 | C20 | H11 | 110.9° | 109.5° |
| O19 | C18 | N9 | 124.6° | 120.0° |
| C18 | N9 | C6 | 126.2° | 120.0° |
| C18 | N9 | H22 | 116.9° | 120.0° |
| N9 | C6 | C5 | 116.4° | 120.4° |
| N9 | C6 | C1 | 124.0° | 120.4° |
| C6 | N9 | H22 | 116.9° | 120.0° |
| C5 | C6 | C1 | 119.6° | 119.2° |
| C6 | C5 | N4 | 120.2° | 120.8° |
| C6 | C5 | H21 | 119.9° | 119.6° |
| C6 | C1 | C2 | 118.8° | 118.4° |
| C6 | C1 | H1 | 120.6° | 120.8° |
| C5 | N4 | C3 | 121.6° | 121.7° |
| N4 | C5 | H21 | 119.9° | 119.6° |
| C1 | C2 | C3 | 119.3° | 119.2° |
| C1 | C2 | CL8 | 120.3° | 120.4° |
| C2 | C1 | H1 | 120.6° | 120.8° |
| N4 | C3 | C2 | 120.5° | 120.7° |
| N4 | C3 | O7 | 120.0° | 119.6° |
| C3 | C2 | CL8 | 120.4° | 120.4° |
| C2 | C3 | O7 | 119.5° | 119.6° |
| C3 | O7 | C10 | 116.5° | 117.0° |
| C14 | C15 | C16 | 119.7° | 120.0° |
| C15 | C14 | C13 | 120.8° | 120.0° |
| C15 | C14 | H4 | 119.6° | 120.0° |
| C14 | C15 | H5 | 120.1° | 120.0° |
| C15 | C16 | C11 | 120.2° | 120.0° |
| C16 | C15 | H5 | 120.2° | 120.0° |
| C15 | C16 | H6 | 119.9° | 120.0° |
| C14 | C13 | C12 | 119.4° | 120.0° |
| C14 | C13 | H3 | 120.3° | 120.0° |
| C13 | C14 | H4 | 119.6° | 120.0° |
| C16 | C11 | C12 | 119.5° | 120.0° |
| C16 | C11 | C10 | 119.3° | 120.0° |
| C11 | C16 | H6 | 119.9° | 120.0° |
| O7 | C10 | C11 | 110.3° | 109.4° |
| O7 | C10 | C17 | 111.1° | 109.5° |
| O7 | C10 | H23 | 109.4° | 109.5° |
| C13 | C12 | C11 | 120.4° | 120.0° |
| C13 | C12 | H2 | 119.8° | 120.0° |
| C12 | C13 | H3 | 120.3° | 120.0° |
| C12 | C11 | C10 | 121.2° | 120.0° |
| C11 | C12 | H2 | 119.8° | 120.0° |
| C11 | C10 | C17 | 109.8° | 109.5° |
| C11 | C10 | H23 | 108.1° | 109.5° |
| C10 | C17 | H7 | 109.5° | 109.4° |
| C10 | C17 | H8 | 109.5° | 109.5° |
| C10 | C17 | H9 | 109.5° | 109.5° |
| C17 | C10 | H23 | 108.0° | 109.5° |
| H7 | C17 | H8 | 109.5° | 109.4° |
| H7 | C17 | H9 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.4° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H16 | C28 | H17 | 109.5° | 109.5° |
| H18 | C29 | H19 | 109.4° | 109.5° |
| H18 | C29 | H20 | 109.4° | 109.5° |
| H19 | C29 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O30 | S27 | C24 | O31 | 128.0° | 127.9° |
| O30 | S27 | C24 | C28 | 113.3° | 116.0° |
| O30 | S27 | O31 | C28 | 124.4° | 131.5° |
| O30 | S27 | C24 | C23 | 51.5° | 153.9° |
| O30 | S27 | C24 | C25 | 127.4° | 26.0° |
| O30 | S27 | C28 | C29 | 175.5° | 68.4° |
| O30 | S27 | C28 | H16 | 55.3° | 51.6° |
| O30 | S27 | C28 | H17 | 64.4° | 171.7° |
| C24 | S27 | O31 | C28 | 113.9° | 111.8° |
| S27 | C24 | C23 | C22 | 179.7° | 179.9° |
| S27 | C24 | C23 | C25 | 178.9° | 180.0° |
| S27 | C24 | C25 | C26 | 179.7° | 179.9° |
| C24 | S27 | C28 | C29 | 63.2° | 180.0° |
| S27 | C24 | C23 | H13 | 0.3° | 0.0° |
| S27 | C24 | C25 | H14 | 0.4° | 0.1° |
| C24 | S27 | C28 | H16 | 57.0° | 60.0° |
| C24 | S27 | C28 | H17 | 176.7° | 60.1° |
| O31 | S27 | C24 | C23 | 179.5° | 26.1° |
| O31 | S27 | C24 | C25 | 0.6° | 153.9° |
| O31 | S27 | C28 | C29 | 55.0° | 68.3° |
| O31 | S27 | C28 | H16 | 175.1° | 171.7° |
| O31 | S27 | C28 | H17 | 65.2° | 51.6° |
| C28 | S27 | C24 | C23 | 61.8° | 90.0° |
| C28 | S27 | C24 | C25 | 119.3° | 90.0° |
| S27 | C28 | C29 | H16 | 120.1° | 120.0° |
| S27 | C28 | C29 | H17 | 120.2° | 119.9° |
| S27 | C28 | H16 | H17 | 119.5° | 119.9° |
| S27 | C28 | C29 | H18 | 180.0° | 60.1° |
| S27 | C28 | C29 | H19 | 60.0° | 60.0° |
| S27 | C28 | C29 | H20 | 60.0° | 180.0° |
| C22 | C23 | C24 | H13 | 180.0° | 179.9° |
| C23 | C22 | C21 | H12 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.8° | 0.0° |
| C23 | C22 | C21 | C26 | 0.6° | 0.0° |
| C23 | C22 | C21 | C20 | 178.9° | 179.7° |
| C24 | C23 | C22 | C21 | 0.7° | 0.0° |
| C23 | C24 | C25 | C26 | 0.8° | 0.0° |
| C24 | C23 | C22 | H12 | 179.3° | 180.0° |
| C23 | C24 | C25 | H14 | 179.3° | 179.9° |
| C22 | C21 | C26 | C20 | 178.3° | 179.8° |
| C22 | C21 | C26 | C25 | 0.6° | 0.0° |
| C22 | C21 | C20 | C18 | 99.4° | 89.7° |
| C22 | C21 | C20 | H10 | 141.6° | 150.2° |
| C22 | C21 | C20 | H11 | 19.7° | 30.3° |
| C21 | C22 | C23 | H13 | 179.3° | 179.9° |
| C22 | C21 | C26 | H15 | 179.4° | 179.7° |
| C24 | C25 | C26 | C21 | 0.7° | 0.0° |
| C24 | C25 | C26 | H14 | 180.0° | 180.0° |
| C25 | C24 | C23 | H13 | 179.2° | 179.9° |
| C24 | C25 | C26 | H15 | 179.3° | 179.7° |
| C21 | C26 | C25 | H15 | 180.0° | 179.7° |
| C26 | C21 | C20 | C18 | 78.9° | 90.0° |
| C26 | C21 | C20 | H10 | 40.1° | 30.0° |
| C26 | C21 | C20 | H11 | 162.0° | 150.0° |
| C26 | C21 | C22 | H12 | 179.4° | 180.0° |
| C21 | C26 | C25 | H14 | 179.4° | 179.9° |
| C20 | C21 | C26 | C25 | 178.9° | 179.7° |
| C21 | C20 | C18 | H10 | 119.1° | 120.0° |
| C21 | C20 | C18 | H11 | 119.1° | 120.0° |
| C21 | C20 | C18 | O19 | 77.2° | 0.0° |
| C21 | C20 | C18 | N9 | 100.9° | 180.0° |
| C21 | C20 | H10 | H11 | 122.7° | 119.9° |
| C20 | C21 | C22 | H12 | 1.1° | 0.2° |
| C20 | C21 | C26 | H15 | 1.1° | 0.0° |
| C29 | C28 | H16 | H17 | 119.6° | 120.1° |
| C28 | C29 | H18 | H19 | 120.0° | 120.0° |
| C28 | C29 | H18 | H20 | 120.0° | 119.9° |
| C28 | C29 | H19 | H20 | 120.0° | 120.0° |
| C20 | C18 | O19 | N9 | 177.8° | 180.0° |
| C20 | C18 | N9 | C6 | 178.0° | 174.7° |
| C18 | C20 | H10 | H11 | 122.7° | 120.1° |
| C20 | C18 | N9 | H22 | 1.9° | 5.3° |
| O19 | C18 | N9 | C6 | 0.1° | 5.3° |
| O19 | C18 | C20 | H10 | 163.8° | 120.0° |
| O19 | C18 | C20 | H11 | 41.9° | 120.0° |
| O19 | C18 | N9 | H22 | 179.9° | 174.7° |
| C18 | N9 | C6 | H22 | 180.0° | 180.0° |
| C18 | N9 | C6 | C5 | 157.7° | 147.5° |
| C18 | N9 | C6 | C1 | 21.1° | 33.0° |
| N9 | C18 | C20 | H10 | 18.2° | 60.0° |
| N9 | C18 | C20 | H11 | 140.1° | 60.1° |
| N9 | C6 | C5 | C1 | 178.9° | 179.5° |
| N9 | C6 | C5 | N4 | 179.6° | 179.9° |
| N9 | C6 | C1 | C2 | 179.4° | 180.0° |
| N9 | C6 | C1 | H1 | 0.6° | 0.2° |
| N9 | C6 | C5 | H21 | 0.4° | 0.3° |
| C6 | C5 | N4 | H21 | 180.0° | 179.7° |
| C5 | C6 | C1 | C2 | 0.6° | 0.5° |
| C6 | C5 | N4 | C3 | 0.6° | 0.3° |
| C5 | C6 | C1 | H1 | 179.4° | 179.7° |
| C5 | C6 | N9 | H22 | 22.2° | 32.5° |
| C1 | C6 | C5 | N4 | 0.7° | 0.5° |
| C6 | C1 | C2 | H1 | 180.0° | 179.8° |
| C6 | C1 | C2 | C3 | 0.3° | 0.2° |
| C6 | C1 | C2 | CL8 | 179.3° | 179.8° |
| C1 | C6 | C5 | H21 | 179.3° | 179.8° |
| C1 | C6 | N9 | H22 | 159.0° | 147.0° |
| C5 | N4 | C3 | C2 | 0.4° | 0.1° |
| C5 | N4 | C3 | O7 | 179.7° | 180.0° |
| C1 | C2 | C3 | N4 | 0.3° | 0.0° |
| C1 | C2 | C3 | CL8 | 179.7° | 180.0° |
| C1 | C2 | C3 | O7 | 179.8° | 180.0° |
| N4 | C3 | C2 | O7 | 179.9° | 180.0° |
| N4 | C3 | C2 | CL8 | 179.4° | 180.0° |
| N4 | C3 | O7 | C10 | 9.3° | 0.0° |
| C3 | N4 | C5 | H21 | 179.4° | 180.0° |
| C2 | C3 | O7 | C10 | 170.8° | 180.0° |
| C3 | C2 | C1 | H1 | 179.7° | 180.0° |
| CL8 | C2 | C3 | O7 | 0.5° | 0.0° |
| CL8 | C2 | C1 | H1 | 0.7° | 0.0° |
| C3 | O7 | C10 | C11 | 67.3° | 150.0° |
| C3 | O7 | C10 | C17 | 170.7° | 90.0° |
| C3 | O7 | C10 | H23 | 51.5° | 30.0° |
| C14 | C15 | C16 | H5 | 180.0° | 179.8° |
| C15 | C14 | C13 | H4 | 180.0° | 180.0° |
| C14 | C15 | C16 | C11 | 0.3° | 0.5° |
| C15 | C14 | C13 | C12 | 0.5° | 0.0° |
| C15 | C14 | C13 | H3 | 179.5° | 180.0° |
| C14 | C15 | C16 | H6 | 179.7° | 180.0° |
| C16 | C15 | C14 | C13 | 0.7° | 0.2° |
| C15 | C16 | C11 | H6 | 180.0° | 179.4° |
| C15 | C16 | C11 | C12 | 0.3° | 0.6° |
| C15 | C16 | C11 | C10 | 179.8° | 179.7° |
| C16 | C15 | C14 | H4 | 179.3° | 179.7° |
| C14 | C13 | C12 | H3 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.0° |
| C14 | C13 | C12 | H2 | 179.9° | 179.9° |
| C13 | C14 | C15 | H5 | 179.3° | 180.0° |
| C16 | C11 | C10 | O7 | 138.9° | 35.2° |
| C16 | C11 | C12 | C13 | 0.4° | 0.3° |
| C16 | C11 | C12 | C10 | 179.5° | 179.7° |
| C16 | C11 | C10 | C17 | 98.3° | 84.7° |
| C16 | C11 | C12 | H2 | 179.5° | 179.8° |
| C11 | C16 | C15 | H5 | 179.7° | 179.7° |
| C16 | C11 | C10 | H23 | 19.3° | 155.2° |
| O7 | C10 | C11 | C12 | 40.6° | 145.0° |
| O7 | C10 | C11 | C17 | 122.8° | 120.0° |
| O7 | C10 | C11 | H23 | 119.6° | 120.0° |
| O7 | C10 | C17 | H23 | 120.0° | 120.0° |
| O7 | C10 | C17 | H7 | 180.0° | 60.0° |
| O7 | C10 | C17 | H8 | 60.0° | 180.0° |
| O7 | C10 | C17 | H9 | 60.0° | 60.0° |
| C13 | C12 | C11 | H2 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 179.9° | 179.9° |
| C12 | C13 | C14 | H4 | 179.5° | 180.0° |
| C12 | C11 | C10 | C17 | 82.2° | 95.0° |
| C11 | C12 | C13 | H3 | 179.9° | 180.0° |
| C12 | C11 | C16 | H6 | 179.7° | 180.0° |
| C12 | C11 | C10 | H23 | 160.2° | 25.0° |
| C11 | C10 | C17 | H23 | 117.7° | 120.0° |
| C10 | C11 | C12 | H2 | 0.1° | 0.0° |
| C10 | C11 | C16 | H6 | 0.2° | 0.3° |
| C11 | C10 | C17 | H7 | 57.6° | 60.0° |
| C11 | C10 | C17 | H8 | 177.6° | 60.0° |
| C11 | C10 | C17 | H9 | 62.4° | 180.0° |
| C10 | C17 | H7 | H8 | 120.0° | 120.0° |
| C10 | C17 | H7 | H9 | 120.0° | 120.0° |
| C10 | C17 | H8 | H9 | 120.0° | 120.1° |
| H2 | C12 | C13 | H3 | 0.1° | 0.1° |
| H3 | C13 | C14 | H4 | 0.4° | 0.0° |
| H4 | C14 | C15 | H5 | 0.7° | 0.0° |
| H5 | C15 | C16 | H6 | 0.3° | 0.3° |
| H7 | C17 | H8 | H9 | 120.0° | 120.0° |
| H7 | C17 | C10 | H23 | 60.0° | 180.0° |
| H8 | C17 | C10 | H23 | 60.0° | 60.0° |
| H9 | C17 | C10 | H23 | 180.0° | 60.0° |
| H12 | C22 | C23 | H13 | 0.7° | 0.1° |
| H14 | C25 | C26 | H15 | 0.7° | 0.3° |
| H16 | C28 | C29 | H18 | 59.9° | 59.9° |
| H16 | C28 | C29 | H19 | 179.9° | 180.0° |
| H16 | C28 | C29 | H20 | 60.1° | 60.0° |
| H17 | C28 | C29 | H18 | 59.9° | 180.0° |
| H17 | C28 | C29 | H19 | 60.1° | 59.9° |
| H17 | C28 | C29 | H20 | 179.8° | 60.1° |
| H18 | C29 | H19 | H20 | 119.9° | 120.0° |
