EVK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | N4 | sing | 1.46Å | 1.45Å | |
| N4 | C5 | sing | 1.39Å | 1.36Å | |
| O18 | C17 | sing | 1.43Å | 1.42Å | |
| C9 | N10 | sing | 1.35Å | 1.35Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | N29 | sing | 1.32Å | 1.34Å | Aromatic |
| N10 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| N29 | C28 | doub | 1.32Å | 1.33Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.48Å | |
| C8 | C12 | sing | 1.41Å | 1.41Å | Aromatic |
| C7 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C28 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.37Å | 1.38Å | Aromatic |
| C11 | C13 | sing | 1.47Å | 1.47Å | |
| C26 | CL2 | sing | 1.74Å | 1.72Å | |
| N15 | C13 | sing | 1.35Å | 1.35Å | |
| N15 | C16 | sing | 1.47Å | 1.46Å | |
| C13 | O14 | doub | 1.22Å | 1.23Å | |
| C16 | C19 | sing | 1.51Å | 1.53Å | |
| C19 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | CL1 | sing | 1.74Å | 1.74Å | |
| C21 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| C1 | H32 | sing | 1.09Å | 1.10Å | |
| C2 | H35 | sing | 1.09Å | 1.10Å | |
| C3 | H36 | sing | 1.09Å | 1.10Å | |
| C3 | H37 | sing | 1.09Å | 1.10Å | |
| C3 | H38 | sing | 1.09Å | 1.10Å | |
| N4 | H39 | sing | 0.97Å | 1.00Å | |
| C6 | H40 | sing | 1.08Å | 1.08Å | |
| C12 | H42 | sing | 1.08Å | 1.08Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H48 | sing | 1.08Å | 1.08Å | |
| C22 | H49 | sing | 1.08Å | 1.08Å | |
| C25 | H50 | sing | 1.08Å | 1.08Å | |
| C28 | H51 | sing | 1.08Å | 1.08Å | |
| C9 | H41 | sing | 1.08Å | 1.08Å | |
| N10 | H30 | sing | 0.97Å | 1.00Å | |
| N15 | H43 | sing | 0.97Å | 1.00Å | |
| C17 | H45 | sing | 1.09Å | 1.10Å | |
| C17 | H44 | sing | 1.09Å | 1.10Å | |
| O18 | H46 | sing | 0.97Å | 0.95Å | |
| C20 | H47 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 112.0° | 109.5° |
| C3 | C2 | N4 | 109.3° | 109.4° |
| C3 | C2 | H35 | 108.3° | 109.5° |
| C2 | C3 | H36 | 109.5° | 109.5° |
| C2 | C3 | H37 | 109.5° | 109.4° |
| C2 | C3 | H38 | 109.5° | 109.5° |
| C1 | C2 | N4 | 109.6° | 109.5° |
| C2 | C1 | H33 | 109.5° | 109.5° |
| C2 | C1 | H34 | 109.5° | 109.5° |
| C2 | C1 | H32 | 109.5° | 109.5° |
| C1 | C2 | H35 | 108.4° | 109.5° |
| C2 | N4 | C5 | 125.6° | 120.0° |
| N4 | C2 | H35 | 109.3° | 109.5° |
| C2 | N4 | H39 | 105.3° | 120.0° |
| N4 | C5 | C6 | 121.9° | 119.6° |
| N4 | C5 | N29 | 115.6° | 119.6° |
| C5 | N4 | H39 | 105.3° | 120.0° |
| O18 | C17 | C16 | 110.7° | 109.5° |
| O18 | C17 | H45 | 109.2° | 109.5° |
| O18 | C17 | H44 | 109.2° | 109.5° |
| C17 | O18 | H46 | 109.5° | 114.0° |
| N10 | C9 | C8 | 108.3° | 108.4° |
| C9 | N10 | C11 | 110.1° | 109.0° |
| N10 | C9 | H41 | 125.8° | 125.8° |
| C9 | N10 | H30 | 125.0° | 125.4° |
| C9 | C8 | C7 | 126.0° | 126.4° |
| C9 | C8 | C12 | 106.3° | 107.3° |
| C8 | C9 | H41 | 125.9° | 125.8° |
| C6 | C5 | N29 | 122.5° | 120.7° |
| C5 | C6 | C7 | 119.7° | 119.0° |
| C5 | C6 | H40 | 120.1° | 120.5° |
| C5 | N29 | C28 | 117.9° | 121.9° |
| N10 | C11 | C12 | 107.1° | 108.2° |
| N10 | C11 | C13 | 118.8° | 125.9° |
| C11 | N10 | H30 | 124.9° | 125.5° |
| C6 | C7 | C8 | 117.4° | 120.9° |
| C6 | C7 | C26 | 116.6° | 118.2° |
| C7 | C6 | H40 | 120.1° | 120.5° |
| N29 | C28 | C26 | 122.5° | 120.9° |
| N29 | C28 | H51 | 118.7° | 119.6° |
| C7 | C8 | C12 | 127.7° | 126.4° |
| C8 | C7 | C26 | 125.5° | 120.9° |
| C8 | C12 | C11 | 108.2° | 107.1° |
| C8 | C12 | H42 | 125.9° | 126.5° |
| C7 | C26 | C28 | 120.6° | 119.2° |
| C7 | C26 | CL2 | 121.6° | 120.4° |
| C17 | C16 | N15 | 108.0° | 109.4° |
| C17 | C16 | C19 | 109.8° | 109.5° |
| C17 | C16 | H31 | 107.7° | 109.5° |
| C16 | C17 | H45 | 109.2° | 109.4° |
| C16 | C17 | H44 | 109.2° | 109.4° |
| C28 | C26 | CL2 | 117.8° | 120.4° |
| C26 | C28 | H51 | 118.7° | 119.5° |
| C12 | C11 | C13 | 134.0° | 125.9° |
| C11 | C12 | H42 | 125.9° | 126.5° |
| C11 | C13 | N15 | 116.0° | 120.0° |
| C11 | C13 | O14 | 121.3° | 120.0° |
| C13 | N15 | C16 | 123.9° | 120.0° |
| N15 | C13 | O14 | 122.7° | 120.0° |
| C13 | N15 | H43 | 118.1° | 120.0° |
| N15 | C16 | C19 | 114.9° | 109.5° |
| N15 | C16 | H31 | 108.5° | 109.5° |
| C16 | N15 | H43 | 118.0° | 120.0° |
| C16 | C19 | C25 | 119.4° | 120.0° |
| C16 | C19 | C20 | 122.2° | 120.0° |
| C19 | C16 | H31 | 107.7° | 109.5° |
| C25 | C19 | C20 | 118.5° | 120.0° |
| C19 | C25 | C23 | 120.0° | 120.0° |
| C19 | C25 | H50 | 120.0° | 120.0° |
| C19 | C20 | C21 | 120.8° | 120.0° |
| C19 | C20 | H47 | 119.6° | 120.0° |
| C25 | C23 | C22 | 121.3° | 119.9° |
| C25 | C23 | CL1 | 119.3° | 120.0° |
| C23 | C25 | H50 | 120.0° | 119.9° |
| C20 | C21 | C22 | 119.6° | 120.0° |
| C20 | C21 | H48 | 120.2° | 120.0° |
| C21 | C20 | H47 | 119.6° | 120.0° |
| C22 | C23 | CL1 | 119.4° | 120.0° |
| C23 | C22 | C21 | 119.8° | 120.0° |
| C23 | C22 | H49 | 120.1° | 119.9° |
| C22 | C21 | H48 | 120.2° | 120.0° |
| C21 | C22 | H49 | 120.1° | 120.0° |
| H33 | C1 | H34 | 109.4° | 109.5° |
| H33 | C1 | H32 | 109.5° | 109.5° |
| H34 | C1 | H32 | 109.5° | 109.4° |
| H36 | C3 | H37 | 109.4° | 109.5° |
| H36 | C3 | H38 | 109.5° | 109.5° |
| H37 | C3 | H38 | 109.5° | 109.5° |
| H45 | C17 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | N4 | 121.4° | 119.9° |
| C3 | C2 | C1 | H35 | 119.4° | 120.0° |
| C3 | C2 | N4 | H35 | 118.3° | 120.0° |
| C3 | C2 | N4 | C5 | 73.8° | 85.0° |
| C3 | C2 | C1 | H33 | 180.0° | 60.0° |
| C3 | C2 | C1 | H34 | 60.0° | 60.0° |
| C3 | C2 | C1 | H32 | 60.0° | 180.0° |
| C2 | C3 | H36 | H37 | 120.0° | 119.9° |
| C2 | C3 | H36 | H38 | 120.0° | 120.0° |
| C2 | C3 | H37 | H38 | 120.0° | 120.0° |
| C3 | C2 | N4 | H39 | 48.3° | 95.0° |
| C1 | C2 | N4 | H35 | 118.6° | 120.1° |
| C1 | C2 | N4 | C5 | 163.1° | 155.0° |
| C2 | C1 | H33 | H34 | 120.0° | 120.0° |
| C2 | C1 | H33 | H32 | 120.0° | 120.0° |
| C2 | C1 | H34 | H32 | 120.0° | 120.0° |
| C1 | C2 | C3 | H36 | 180.0° | 180.0° |
| C1 | C2 | C3 | H37 | 60.0° | 60.0° |
| C1 | C2 | C3 | H38 | 60.0° | 60.0° |
| C1 | C2 | N4 | H39 | 74.7° | 24.9° |
| C2 | N4 | C5 | H39 | 122.2° | 179.9° |
| C2 | N4 | C5 | C6 | 10.6° | 0.0° |
| C2 | N4 | C5 | N29 | 167.1° | 179.8° |
| N4 | C2 | C1 | H33 | 58.6° | 60.0° |
| N4 | C2 | C1 | H34 | 61.4° | 180.0° |
| N4 | C2 | C1 | H32 | 178.6° | 60.1° |
| N4 | C2 | C3 | H36 | 58.4° | 60.0° |
| N4 | C2 | C3 | H37 | 178.4° | 180.0° |
| N4 | C2 | C3 | H38 | 61.6° | 60.0° |
| N4 | C5 | C6 | N29 | 177.6° | 179.7° |
| N4 | C5 | C6 | C7 | 178.5° | 179.9° |
| N4 | C5 | N29 | C28 | 179.8° | 179.7° |
| C5 | N4 | C2 | H35 | 44.5° | 34.9° |
| N4 | C5 | C6 | H40 | 1.5° | 0.1° |
| O18 | C17 | C16 | H45 | 120.2° | 120.0° |
| O18 | C17 | C16 | H44 | 120.2° | 120.0° |
| O18 | C17 | C16 | N15 | 61.7° | 65.0° |
| O18 | C17 | C16 | C19 | 172.2° | 55.0° |
| O18 | C17 | C16 | H31 | 55.2° | 175.0° |
| O18 | C17 | H45 | H44 | 119.4° | 120.0° |
| N10 | C9 | C8 | H41 | 180.0° | 179.9° |
| C9 | N10 | C11 | H30 | 180.0° | 179.9° |
| N10 | C9 | C8 | C7 | 178.3° | 180.0° |
| N10 | C9 | C8 | C12 | 0.4° | 0.2° |
| C9 | N10 | C11 | C12 | 0.9° | 0.0° |
| C9 | N10 | C11 | C13 | 178.2° | 179.9° |
| C8 | C9 | N10 | C11 | 0.8° | 0.1° |
| C9 | C8 | C7 | C6 | 28.8° | 50.2° |
| C9 | C8 | C7 | C12 | 177.5° | 179.8° |
| C9 | C8 | C7 | C26 | 142.9° | 129.7° |
| C9 | C8 | C12 | C11 | 0.2° | 0.2° |
| C9 | C8 | C12 | H42 | 179.8° | 179.8° |
| C8 | C9 | N10 | H30 | 179.2° | 180.0° |
| C5 | C6 | C7 | H40 | 180.0° | 180.0° |
| C6 | C5 | N29 | C28 | 2.1° | 0.5° |
| C5 | C6 | C7 | C8 | 177.2° | 180.0° |
| C5 | C6 | C7 | C26 | 4.8° | 0.1° |
| C6 | C5 | N4 | H39 | 132.8° | 180.0° |
| N29 | C5 | C6 | C7 | 4.0° | 0.2° |
| C5 | N29 | C28 | C26 | 1.4° | 0.5° |
| N29 | C5 | N4 | H39 | 44.9° | 0.3° |
| N29 | C5 | C6 | H40 | 176.0° | 179.8° |
| C5 | N29 | C28 | H51 | 178.6° | 179.7° |
| N10 | C11 | C12 | C8 | 0.7° | 0.1° |
| N10 | C11 | C12 | C13 | 176.6° | 179.9° |
| N10 | C11 | C13 | N15 | 31.1° | 0.2° |
| N10 | C11 | C13 | O14 | 148.9° | 179.8° |
| N10 | C11 | C12 | H42 | 179.3° | 179.9° |
| C11 | N10 | C9 | H41 | 179.2° | 180.0° |
| C6 | C7 | C8 | C26 | 171.7° | 179.9° |
| C6 | C7 | C8 | C12 | 153.7° | 130.0° |
| C6 | C7 | C26 | C28 | 4.1° | 0.1° |
| C6 | C7 | C26 | CL2 | 179.4° | 180.0° |
| N29 | C28 | C26 | C7 | 2.4° | 0.2° |
| N29 | C28 | C26 | H51 | 180.0° | 179.8° |
| N29 | C28 | C26 | CL2 | 179.1° | 179.7° |
| C8 | C7 | C26 | C28 | 175.9° | 180.0° |
| C7 | C8 | C12 | C11 | 177.6° | 180.0° |
| C8 | C7 | C26 | CL2 | 7.6° | 0.1° |
| C8 | C7 | C6 | H40 | 2.8° | 0.0° |
| C7 | C8 | C12 | H42 | 2.4° | 0.0° |
| C7 | C8 | C9 | H41 | 1.7° | 0.1° |
| C12 | C8 | C7 | C26 | 34.5° | 50.1° |
| C8 | C12 | C11 | H42 | 180.0° | 180.0° |
| C8 | C12 | C11 | C13 | 177.3° | 180.0° |
| C12 | C8 | C9 | H41 | 179.6° | 179.9° |
| C7 | C26 | C28 | CL2 | 176.7° | 179.9° |
| C26 | C7 | C6 | H40 | 175.2° | 179.9° |
| C7 | C26 | C28 | H51 | 177.5° | 180.0° |
| C17 | C16 | N15 | C13 | 148.9° | 85.0° |
| C17 | C16 | N15 | C19 | 123.0° | 120.0° |
| C17 | C16 | N15 | H31 | 116.4° | 120.0° |
| C17 | C16 | C19 | H31 | 117.0° | 120.0° |
| C17 | C16 | C19 | C25 | 74.1° | 100.0° |
| C17 | C16 | C19 | C20 | 105.7° | 80.3° |
| C17 | C16 | N15 | H43 | 31.1° | 95.0° |
| C16 | C17 | H45 | H44 | 119.4° | 120.0° |
| C16 | C17 | O18 | H46 | 180.0° | 180.0° |
| C12 | C11 | C13 | N15 | 145.2° | 179.9° |
| C12 | C11 | C13 | O14 | 34.8° | 0.1° |
| C12 | C11 | N10 | H30 | 179.1° | 179.9° |
| C11 | C13 | N15 | O14 | 179.9° | 180.0° |
| C11 | C13 | N15 | C16 | 177.0° | 179.9° |
| C13 | C11 | C12 | H42 | 2.7° | 0.0° |
| C13 | C11 | N10 | H30 | 1.9° | 0.0° |
| C11 | C13 | N15 | H43 | 3.0° | 0.0° |
| CL2 | C26 | C28 | H51 | 0.9° | 0.0° |
| C13 | N15 | C16 | H43 | 180.0° | 179.9° |
| C13 | N15 | C16 | C19 | 88.0° | 155.0° |
| C13 | N15 | C16 | H31 | 32.5° | 35.0° |
| C16 | N15 | C13 | O14 | 2.9° | 0.0° |
| N15 | C16 | C19 | H31 | 121.0° | 120.0° |
| N15 | C16 | C19 | C25 | 163.9° | 140.1° |
| N15 | C16 | C19 | C20 | 16.3° | 39.7° |
| N15 | C16 | C17 | H45 | 58.4° | 55.0° |
| N15 | C16 | C17 | H44 | 178.1° | 175.0° |
| O14 | C13 | N15 | H43 | 177.1° | 180.0° |
| C16 | C19 | C25 | C20 | 179.8° | 179.7° |
| C16 | C19 | C25 | C23 | 179.2° | 180.0° |
| C16 | C19 | C20 | C21 | 179.0° | 180.0° |
| C16 | C19 | C25 | H50 | 0.8° | 0.0° |
| C19 | C16 | N15 | H43 | 91.9° | 24.9° |
| C19 | C16 | C17 | H45 | 67.6° | 175.0° |
| C19 | C16 | C17 | H44 | 52.0° | 65.0° |
| C16 | C19 | C20 | H47 | 1.0° | 0.1° |
| C19 | C25 | C23 | H50 | 180.0° | 180.0° |
| C25 | C19 | C20 | C21 | 1.2° | 0.3° |
| C19 | C25 | C23 | C22 | 1.8° | 0.0° |
| C19 | C25 | C23 | CL1 | 180.0° | 179.8° |
| C25 | C19 | C16 | H31 | 42.9° | 20.1° |
| C25 | C19 | C20 | H47 | 178.9° | 179.8° |
| C20 | C19 | C25 | C23 | 0.7° | 0.3° |
| C19 | C20 | C21 | H47 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 1.9° | 0.0° |
| C20 | C19 | C16 | H31 | 137.3° | 159.7° |
| C19 | C20 | C21 | H48 | 178.1° | 179.7° |
| C20 | C19 | C25 | H50 | 179.3° | 179.7° |
| C25 | C23 | C22 | CL1 | 178.1° | 179.8° |
| C25 | C23 | C22 | C21 | 1.1° | 0.3° |
| C25 | C23 | C22 | H49 | 178.9° | 179.8° |
| C20 | C21 | C22 | C23 | 0.8° | 0.3° |
| C20 | C21 | C22 | H48 | 180.0° | 179.7° |
| C20 | C21 | C22 | H49 | 179.2° | 179.8° |
| C23 | C22 | C21 | H49 | 180.0° | 180.0° |
| C23 | C22 | C21 | H48 | 179.2° | 180.0° |
| C22 | C23 | C25 | H50 | 178.2° | 180.0° |
| CL1 | C23 | C22 | C21 | 179.2° | 180.0° |
| CL1 | C23 | C22 | H49 | 0.8° | 0.0° |
| CL1 | C23 | C25 | H50 | 0.0° | 0.2° |
| C22 | C21 | C20 | H47 | 178.1° | 179.9° |
| H33 | C1 | H34 | H32 | 120.0° | 120.0° |
| H33 | C1 | C2 | H35 | 60.6° | 180.0° |
| H34 | C1 | C2 | H35 | 179.4° | 60.0° |
| H32 | C1 | C2 | H35 | 59.4° | 60.0° |
| H35 | C2 | C3 | H36 | 60.5° | 59.9° |
| H35 | C2 | C3 | H37 | 59.5° | 60.0° |
| H35 | C2 | C3 | H38 | 179.5° | 180.0° |
| H35 | C2 | N4 | H39 | 166.7° | 145.0° |
| H36 | C3 | H37 | H38 | 120.0° | 120.0° |
| H31 | C16 | N15 | H43 | 147.5° | 144.9° |
| H31 | C16 | C17 | H45 | 175.4° | 65.0° |
| H31 | C16 | C17 | H44 | 65.0° | 55.0° |
| H48 | C21 | C22 | H49 | 0.8° | 0.1° |
| H48 | C21 | C20 | H47 | 1.9° | 0.2° |
| H41 | C9 | N10 | H30 | 0.8° | 0.1° |
| H45 | C17 | O18 | H46 | 59.8° | 60.1° |
| H44 | C17 | O18 | H46 | 59.8° | 60.0° |
