EQZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C23 | sing | 1.43Å | 1.44Å | |
| O22 | C21 | sing | 1.43Å | 1.44Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C24 | C19 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | N18 | sing | 1.46Å | 1.45Å | |
| N18 | C17 | sing | 1.38Å | 1.34Å | |
| C17 | N16 | doub | 1.32Å | 1.33Å | Aromatic |
| C17 | N25 | sing | 1.33Å | 1.33Å | Aromatic |
| N16 | C15 | sing | 1.33Å | 1.34Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| N25 | C26 | doub | 1.32Å | 1.33Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.49Å | |
| C7 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C10 | sing | 1.48Å | 1.49Å | |
| C15 | C27 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | N5 | sing | 1.47Å | 1.46Å | |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.48Å | |
| N5 | C13 | sing | 1.34Å | 1.36Å | |
| N5 | C4 | sing | 1.46Å | 1.47Å | |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | CL1 | sing | 1.74Å | 1.73Å | |
| C13 | O14 | doub | 1.22Å | 1.21Å | |
| C4 | C3 | sing | 1.53Å | 1.50Å | |
| C3 | O2 | sing | 1.43Å | 1.41Å | |
| O2 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | H31 | sing | 1.09Å | 1.10Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C1 | H29 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C6 | H36 | sing | 1.09Å | 1.10Å | |
| C6 | H37 | sing | 1.09Å | 1.10Å | |
| C8 | H38 | sing | 1.08Å | 1.08Å | |
| C11 | H40 | sing | 1.08Å | 1.08Å | |
| N18 | H41 | sing | 0.97Å | 1.00Å | |
| C19 | H42 | sing | 1.09Å | 1.10Å | |
| C21 | H45 | sing | 1.09Å | 1.10Å | |
| C21 | H46 | sing | 1.09Å | 1.10Å | |
| C23 | H48 | sing | 1.09Å | 1.10Å | |
| C23 | H47 | sing | 1.09Å | 1.10Å | |
| C24 | H49 | sing | 1.09Å | 1.10Å | |
| C24 | H50 | sing | 1.09Å | 1.10Å | |
| C26 | H51 | sing | 1.08Å | 1.08Å | |
| C4 | H34 | sing | 1.09Å | 1.10Å | |
| C4 | H35 | sing | 1.09Å | 1.10Å | |
| C9 | H39 | sing | 1.08Å | 1.08Å | |
| C20 | H43 | sing | 1.09Å | 1.10Å | |
| C20 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | O22 | C21 | 110.3° | 114.0° |
| O22 | C23 | C24 | 111.2° | 109.4° |
| O22 | C23 | H48 | 109.0° | 109.4° |
| O22 | C23 | H47 | 109.0° | 109.5° |
| O22 | C21 | C20 | 111.5° | 109.4° |
| O22 | C21 | H45 | 108.9° | 109.4° |
| O22 | C21 | H46 | 109.0° | 109.4° |
| C23 | C24 | C19 | 108.7° | 109.2° |
| C24 | C23 | H48 | 109.0° | 109.5° |
| C24 | C23 | H47 | 109.1° | 109.5° |
| C23 | C24 | H49 | 109.7° | 109.5° |
| C23 | C24 | H50 | 109.7° | 109.5° |
| C24 | C19 | C20 | 110.5° | 109.1° |
| C24 | C19 | N18 | 110.5° | 109.6° |
| C24 | C19 | H42 | 108.6° | 109.5° |
| C19 | C24 | H49 | 109.7° | 109.5° |
| C19 | C24 | H50 | 109.7° | 109.6° |
| C21 | C20 | C19 | 109.7° | 109.2° |
| C20 | C21 | H45 | 109.0° | 109.5° |
| C20 | C21 | H46 | 109.0° | 109.6° |
| C21 | C20 | H43 | 109.4° | 109.5° |
| C21 | C20 | H44 | 109.4° | 109.5° |
| C20 | C19 | N18 | 109.3° | 109.5° |
| C20 | C19 | H42 | 108.5° | 109.5° |
| C19 | C20 | H43 | 109.4° | 109.6° |
| C19 | C20 | H44 | 109.4° | 109.5° |
| C19 | N18 | C17 | 125.2° | 120.1° |
| C19 | N18 | H41 | 105.4° | 119.9° |
| N18 | C19 | H42 | 109.4° | 109.5° |
| N18 | C17 | N16 | 116.7° | 119.2° |
| N18 | C17 | N25 | 116.7° | 119.1° |
| C17 | N18 | H41 | 105.4° | 120.0° |
| N16 | C17 | N25 | 126.6° | 121.8° |
| C17 | N16 | C15 | 118.1° | 120.6° |
| C17 | N25 | C26 | 115.2° | 120.9° |
| N16 | C15 | C10 | 112.6° | 120.5° |
| N16 | C15 | C27 | 119.2° | 119.0° |
| C8 | C9 | C10 | 121.6° | 120.1° |
| C9 | C8 | C7 | 120.0° | 120.1° |
| C9 | C8 | H38 | 120.0° | 119.9° |
| C8 | C9 | H39 | 119.2° | 120.0° |
| C9 | C10 | C15 | 119.0° | 120.0° |
| C9 | C10 | C11 | 117.8° | 120.1° |
| C10 | C9 | H39 | 119.2° | 120.0° |
| C8 | C7 | C6 | 131.0° | 133.0° |
| C8 | C7 | C12 | 119.5° | 120.6° |
| C7 | C8 | H38 | 120.0° | 120.0° |
| N25 | C26 | C27 | 122.8° | 119.3° |
| N25 | C26 | H51 | 118.6° | 120.3° |
| C6 | C7 | C12 | 109.4° | 106.4° |
| C7 | C6 | N5 | 102.1° | 106.3° |
| C7 | C6 | H36 | 111.3° | 110.1° |
| C7 | C6 | H37 | 111.3° | 110.2° |
| C7 | C12 | C11 | 120.8° | 119.5° |
| C7 | C12 | C13 | 108.5° | 108.3° |
| C10 | C15 | C27 | 128.2° | 120.5° |
| C15 | C10 | C11 | 123.2° | 120.0° |
| C15 | C27 | C26 | 118.1° | 118.4° |
| C15 | C27 | CL1 | 124.3° | 120.8° |
| C10 | C11 | C12 | 120.3° | 119.7° |
| C10 | C11 | H40 | 119.9° | 120.1° |
| C6 | N5 | C13 | 113.3° | 108.8° |
| C6 | N5 | C4 | 120.6° | 125.6° |
| N5 | C6 | H36 | 111.2° | 110.1° |
| N5 | C6 | H37 | 111.2° | 110.1° |
| C11 | C12 | C13 | 130.6° | 132.2° |
| C12 | C11 | H40 | 119.9° | 120.2° |
| C12 | C13 | N5 | 106.1° | 110.3° |
| C12 | C13 | O14 | 128.6° | 124.9° |
| C13 | N5 | C4 | 124.8° | 125.6° |
| N5 | C13 | O14 | 125.3° | 124.9° |
| N5 | C4 | C3 | 112.8° | 109.4° |
| N5 | C4 | H34 | 108.6° | 109.4° |
| N5 | C4 | H35 | 108.6° | 109.5° |
| C26 | C27 | CL1 | 117.6° | 120.8° |
| C27 | C26 | H51 | 118.6° | 120.4° |
| C4 | C3 | O2 | 107.6° | 109.5° |
| C4 | C3 | H32 | 110.0° | 109.5° |
| C4 | C3 | H33 | 109.9° | 109.5° |
| C3 | C4 | H34 | 108.6° | 109.4° |
| C3 | C4 | H35 | 108.6° | 109.5° |
| C3 | O2 | C1 | 113.9° | 114.0° |
| O2 | C3 | H32 | 109.9° | 109.5° |
| O2 | C3 | H33 | 109.9° | 109.5° |
| O2 | C1 | H31 | 109.5° | 109.5° |
| O2 | C1 | H30 | 109.5° | 109.5° |
| O2 | C1 | H29 | 109.5° | 109.4° |
| H31 | C1 | H30 | 109.5° | 109.5° |
| H31 | C1 | H29 | 109.5° | 109.4° |
| H30 | C1 | H29 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.4° |
| H36 | C6 | H37 | 109.5° | 110.1° |
| H45 | C21 | H46 | 109.5° | 109.4° |
| H48 | C23 | H47 | 109.5° | 109.5° |
| H49 | C24 | H50 | 109.5° | 109.5° |
| H34 | C4 | H35 | 109.5° | 109.5° |
| H43 | C20 | H44 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C23 | C24 | H48 | 120.2° | 119.9° |
| O22 | C23 | C24 | H47 | 120.2° | 120.0° |
| O22 | C23 | C24 | C19 | 58.9° | 57.6° |
| C23 | O22 | C21 | C20 | 60.5° | 61.2° |
| C23 | O22 | C21 | H45 | 179.2° | 58.8° |
| C23 | O22 | C21 | H46 | 59.9° | 178.7° |
| O22 | C23 | H48 | H47 | 119.2° | 120.0° |
| O22 | C23 | C24 | H49 | 178.8° | 62.3° |
| O22 | C23 | C24 | H50 | 61.0° | 177.5° |
| C21 | O22 | C23 | C24 | 61.9° | 61.2° |
| O22 | C21 | C20 | H45 | 120.3° | 119.9° |
| O22 | C21 | C20 | H46 | 120.3° | 120.0° |
| O22 | C21 | C20 | C19 | 56.5° | 57.6° |
| O22 | C21 | H45 | H46 | 119.0° | 119.9° |
| C21 | O22 | C23 | H48 | 58.3° | 178.8° |
| C21 | O22 | C23 | H47 | 177.8° | 58.8° |
| O22 | C21 | C20 | H43 | 63.6° | 177.5° |
| O22 | C21 | C20 | H44 | 176.6° | 62.3° |
| C23 | C24 | C19 | H49 | 119.9° | 119.9° |
| C23 | C24 | C19 | H50 | 119.9° | 119.9° |
| C23 | C24 | C19 | C20 | 54.8° | 56.9° |
| C23 | C24 | C19 | N18 | 176.0° | 176.9° |
| C23 | C24 | C19 | H42 | 64.1° | 63.0° |
| C24 | C23 | H48 | H47 | 119.3° | 120.1° |
| C23 | C24 | H49 | H50 | 120.4° | 120.1° |
| C24 | C19 | C20 | C21 | 53.9° | 56.9° |
| C24 | C19 | C20 | N18 | 121.8° | 120.0° |
| C24 | C19 | C20 | H42 | 118.9° | 119.9° |
| C24 | C19 | N18 | H42 | 119.5° | 120.2° |
| C24 | C19 | N18 | C17 | 86.3° | 155.2° |
| C24 | C19 | N18 | H41 | 35.8° | 24.8° |
| C19 | C24 | C23 | H48 | 61.3° | 177.5° |
| C19 | C24 | C23 | H47 | 179.1° | 62.4° |
| C19 | C24 | H49 | H50 | 120.3° | 120.2° |
| C24 | C19 | C20 | H43 | 66.1° | 176.8° |
| C24 | C19 | C20 | H44 | 174.0° | 63.0° |
| C21 | C20 | C19 | H43 | 120.0° | 119.9° |
| C21 | C20 | C19 | H44 | 120.0° | 119.9° |
| C21 | C20 | C19 | N18 | 175.7° | 176.9° |
| C21 | C20 | C19 | H42 | 65.0° | 63.0° |
| C20 | C21 | H45 | H46 | 119.1° | 120.1° |
| C21 | C20 | H43 | H44 | 119.8° | 120.1° |
| C20 | C19 | N18 | H42 | 118.7° | 120.1° |
| C20 | C19 | N18 | C17 | 151.8° | 85.1° |
| C20 | C19 | N18 | H41 | 86.0° | 94.9° |
| C19 | C20 | C21 | H45 | 176.8° | 62.4° |
| C19 | C20 | C21 | H46 | 63.8° | 177.6° |
| C20 | C19 | C24 | H49 | 174.8° | 63.0° |
| C20 | C19 | C24 | H50 | 65.0° | 176.8° |
| C19 | C20 | H43 | H44 | 119.9° | 120.1° |
| C19 | N18 | C17 | H41 | 122.1° | 180.0° |
| C19 | N18 | C17 | N16 | 3.1° | 180.0° |
| C19 | N18 | C17 | N25 | 177.3° | 0.0° |
| N18 | C19 | C24 | H49 | 64.1° | 56.9° |
| N18 | C19 | C24 | H50 | 56.1° | 63.2° |
| N18 | C19 | C20 | H43 | 55.7° | 63.2° |
| N18 | C19 | C20 | H44 | 64.2° | 57.0° |
| N18 | C17 | N16 | N25 | 179.5° | 180.0° |
| N18 | C17 | N16 | C15 | 180.0° | 180.0° |
| N18 | C17 | N25 | C26 | 179.4° | 179.7° |
| C17 | N18 | C19 | H42 | 33.1° | 35.0° |
| N16 | C17 | N25 | C26 | 1.1° | 0.3° |
| C17 | N16 | C15 | C10 | 179.0° | 180.0° |
| C17 | N16 | C15 | C27 | 0.4° | 0.3° |
| N16 | C17 | N18 | H41 | 119.1° | 0.0° |
| N25 | C17 | N16 | C15 | 0.5° | 0.0° |
| C17 | N25 | C26 | C27 | 0.8° | 0.3° |
| N25 | C17 | N18 | H41 | 60.5° | 180.0° |
| C17 | N25 | C26 | H51 | 179.2° | 179.7° |
| N16 | C15 | C10 | C9 | 15.9° | 144.8° |
| N16 | C15 | C10 | C27 | 178.5° | 179.7° |
| N16 | C15 | C10 | C11 | 165.8° | 35.3° |
| N16 | C15 | C27 | C26 | 0.6° | 0.3° |
| N16 | C15 | C27 | CL1 | 178.1° | 179.7° |
| C8 | C9 | C10 | H39 | 180.0° | 180.0° |
| C9 | C8 | C7 | H38 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 179.8° | 180.0° |
| C9 | C8 | C7 | C12 | 0.7° | 0.1° |
| C8 | C9 | C10 | C15 | 179.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.6° | 0.1° |
| C10 | C9 | C8 | C7 | 0.9° | 0.1° |
| C9 | C10 | C15 | C11 | 178.3° | 179.9° |
| C9 | C10 | C15 | C27 | 162.6° | 34.9° |
| C9 | C10 | C11 | C12 | 2.3° | 0.1° |
| C10 | C9 | C8 | H38 | 179.1° | 180.0° |
| C9 | C10 | C11 | H40 | 177.7° | 180.0° |
| C8 | C7 | C6 | C12 | 179.1° | 179.9° |
| C8 | C7 | C6 | N5 | 177.6° | 179.9° |
| C8 | C7 | C12 | C11 | 1.0° | 0.1° |
| C8 | C7 | C12 | C13 | 178.1° | 179.9° |
| C8 | C7 | C6 | H36 | 63.6° | 60.7° |
| C8 | C7 | C6 | H37 | 58.8° | 60.8° |
| C7 | C8 | C9 | H39 | 179.1° | 179.9° |
| N25 | C26 | C27 | C15 | 0.0° | 0.0° |
| N25 | C26 | C27 | H51 | 180.0° | 180.0° |
| N25 | C26 | C27 | CL1 | 178.8° | 180.0° |
| C7 | C6 | N5 | H36 | 118.8° | 119.2° |
| C7 | C6 | N5 | H37 | 118.8° | 119.3° |
| C6 | C7 | C12 | C11 | 178.2° | 180.0° |
| C6 | C7 | C12 | C13 | 1.1° | 0.0° |
| C7 | C6 | N5 | C13 | 7.2° | 0.0° |
| C7 | C6 | N5 | C4 | 174.7° | 180.0° |
| C7 | C6 | H36 | H37 | 123.5° | 121.6° |
| C6 | C7 | C8 | H38 | 0.2° | 0.1° |
| C7 | C12 | C11 | C10 | 2.6° | 0.1° |
| C12 | C7 | C6 | N5 | 3.3° | 0.0° |
| C7 | C12 | C11 | C13 | 176.4° | 180.0° |
| C7 | C12 | C13 | N5 | 5.5° | 0.0° |
| C7 | C12 | C13 | O14 | 174.3° | 180.0° |
| C12 | C7 | C6 | H36 | 115.5° | 119.2° |
| C12 | C7 | C6 | H37 | 122.1° | 119.2° |
| C12 | C7 | C8 | H38 | 179.3° | 180.0° |
| C7 | C12 | C11 | H40 | 177.4° | 179.9° |
| C15 | C10 | C11 | C12 | 179.4° | 180.0° |
| C10 | C15 | C27 | C26 | 179.0° | 179.9° |
| C10 | C15 | C27 | CL1 | 0.3° | 0.0° |
| C15 | C10 | C11 | H40 | 0.6° | 0.1° |
| C15 | C10 | C9 | H39 | 1.0° | 0.0° |
| C27 | C15 | C10 | C11 | 15.7° | 145.0° |
| C15 | C27 | C26 | CL1 | 178.8° | 180.0° |
| C15 | C27 | C26 | H51 | 180.0° | 180.0° |
| C10 | C11 | C12 | H40 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 178.9° | 179.9° |
| C11 | C10 | C9 | H39 | 179.4° | 179.9° |
| C6 | N5 | C13 | C12 | 8.0° | 0.0° |
| C6 | N5 | C13 | C4 | 166.9° | 179.9° |
| C6 | N5 | C13 | O14 | 171.8° | 180.0° |
| C6 | N5 | C4 | C3 | 47.4° | 90.0° |
| N5 | C6 | H36 | H37 | 123.4° | 121.5° |
| C6 | N5 | C4 | H34 | 73.0° | 29.9° |
| C6 | N5 | C4 | H35 | 167.9° | 150.0° |
| C11 | C12 | C13 | N5 | 177.8° | 179.9° |
| C11 | C12 | C13 | O14 | 2.4° | 0.0° |
| C12 | C13 | N5 | O14 | 179.8° | 180.0° |
| C12 | C13 | N5 | C4 | 174.9° | 180.0° |
| C13 | C12 | C11 | H40 | 1.1° | 0.0° |
| C13 | N5 | C4 | C3 | 118.6° | 90.1° |
| C13 | N5 | C6 | H36 | 111.7° | 119.2° |
| C13 | N5 | C6 | H37 | 126.0° | 119.3° |
| C13 | N5 | C4 | H34 | 120.9° | 150.0° |
| C13 | N5 | C4 | H35 | 1.9° | 29.9° |
| C4 | N5 | C13 | O14 | 4.9° | 0.1° |
| N5 | C4 | C3 | H34 | 120.5° | 119.9° |
| N5 | C4 | C3 | H35 | 120.5° | 120.1° |
| N5 | C4 | C3 | O2 | 59.2° | 65.0° |
| N5 | C4 | C3 | H32 | 60.6° | 55.0° |
| N5 | C4 | C3 | H33 | 178.9° | 175.0° |
| C4 | N5 | C6 | H36 | 55.9° | 60.8° |
| C4 | N5 | C6 | H37 | 66.5° | 60.8° |
| N5 | C4 | H34 | H35 | 118.5° | 120.1° |
| CL1 | C27 | C26 | H51 | 1.2° | 0.0° |
| C4 | C3 | O2 | H32 | 119.7° | 120.0° |
| C4 | C3 | O2 | H33 | 119.7° | 120.0° |
| C4 | C3 | O2 | C1 | 168.4° | 179.9° |
| C4 | C3 | H32 | H33 | 120.8° | 120.0° |
| C3 | C4 | H34 | H35 | 118.5° | 120.0° |
| C3 | O2 | C1 | H31 | 180.0° | 180.0° |
| C3 | O2 | C1 | H30 | 60.0° | 60.0° |
| C3 | O2 | C1 | H29 | 60.0° | 60.0° |
| O2 | C3 | H32 | H33 | 120.9° | 120.0° |
| O2 | C3 | C4 | H34 | 179.6° | 175.1° |
| O2 | C3 | C4 | H35 | 61.3° | 55.0° |
| O2 | C1 | H31 | H30 | 120.0° | 120.1° |
| O2 | C1 | H31 | H29 | 120.0° | 120.0° |
| O2 | C1 | H30 | H29 | 120.0° | 120.0° |
| C1 | O2 | C3 | H32 | 48.6° | 60.0° |
| C1 | O2 | C3 | H33 | 71.9° | 59.9° |
| H31 | C1 | H30 | H29 | 120.0° | 120.0° |
| H32 | C3 | C4 | H34 | 59.9° | 64.9° |
| H32 | C3 | C4 | H35 | 179.0° | 175.0° |
| H33 | C3 | C4 | H34 | 60.6° | 55.1° |
| H33 | C3 | C4 | H35 | 58.4° | 65.0° |
| H38 | C8 | C9 | H39 | 0.9° | 0.0° |
| H41 | N18 | C19 | H42 | 155.3° | 145.0° |
| H42 | C19 | C24 | H49 | 55.8° | 177.1° |
| H42 | C19 | C24 | H50 | 176.0° | 56.9° |
| H42 | C19 | C20 | H43 | 175.0° | 56.9° |
| H42 | C19 | C20 | H44 | 55.0° | 177.1° |
| H45 | C21 | C20 | H43 | 56.7° | 57.6° |
| H45 | C21 | C20 | H44 | 63.1° | 177.7° |
| H46 | C21 | C20 | H43 | 176.1° | 62.5° |
| H46 | C21 | C20 | H44 | 56.2° | 57.7° |
| H48 | C23 | C24 | H49 | 58.6° | 57.6° |
| H48 | C23 | C24 | H50 | 178.8° | 62.5° |
| H47 | C23 | C24 | H49 | 61.0° | 177.7° |
| H47 | C23 | C24 | H50 | 59.3° | 57.6° |
