ZUE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C19 | sing | 1.74Å | 1.72Å | |
| C18 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.40Å | Aromatic |
| C14 | N2 | sing | 1.36Å | 1.40Å | |
| C15 | C20 | sing | 1.47Å | 1.42Å | |
| N2 | C10 | doub | 1.30Å | 1.29Å | |
| O1 | C13 | doub | 1.21Å | 1.30Å | |
| C10 | N1 | sing | 1.36Å | 1.37Å | |
| C10 | C11 | sing | 1.51Å | 1.49Å | |
| C20 | N1 | sing | 1.35Å | 1.40Å | |
| C20 | O3 | doub | 1.22Å | 1.21Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C13 | O2 | sing | 1.34Å | 1.24Å | |
| N1 | C9 | sing | 1.47Å | 1.43Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | O4 | doub | 1.21Å | 1.25Å | |
| C8 | N | sing | 1.35Å | 1.32Å | |
| N | C7 | sing | 1.47Å | 1.45Å | |
| C7 | C6 | sing | 1.51Å | 1.49Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| O | C | sing | 1.43Å | 1.41Å | |
| O | C1 | sing | 1.36Å | 1.36Å | |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| N | H13 | sing | 0.97Å | 1.00Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| O2 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C19 | C18 | 119.0° | 120.2° |
| CL | C19 | C14 | 118.8° | 120.2° |
| C17 | C18 | C19 | 119.3° | 120.8° |
| C18 | C17 | C16 | 120.9° | 120.5° |
| C18 | C17 | H18 | 119.6° | 119.7° |
| C17 | C18 | H19 | 120.4° | 119.6° |
| C18 | C19 | C14 | 122.2° | 119.6° |
| C19 | C18 | H19 | 120.4° | 119.5° |
| C17 | C16 | C15 | 119.0° | 119.6° |
| C17 | C16 | H17 | 120.5° | 120.2° |
| C16 | C17 | H18 | 119.6° | 119.7° |
| C19 | C14 | C15 | 117.3° | 119.3° |
| C19 | C14 | N2 | 120.3° | 121.6° |
| C16 | C15 | C14 | 121.3° | 120.1° |
| C16 | C15 | C20 | 119.5° | 121.9° |
| C15 | C16 | H17 | 120.5° | 120.2° |
| C15 | C14 | N2 | 122.4° | 119.0° |
| C14 | C15 | C20 | 119.0° | 118.0° |
| C14 | N2 | C10 | 117.5° | 121.6° |
| C15 | C20 | N1 | 115.1° | 117.4° |
| C15 | C20 | O3 | 124.0° | 121.3° |
| N2 | C10 | N1 | 123.6° | 123.4° |
| N2 | C10 | C11 | 121.1° | 118.3° |
| O1 | C13 | C12 | 112.4° | 120.0° |
| O1 | C13 | O2 | 124.4° | 120.0° |
| N1 | C10 | C11 | 115.2° | 118.3° |
| C10 | N1 | C20 | 122.2° | 120.6° |
| C10 | N1 | C9 | 121.3° | 119.7° |
| C10 | C11 | C12 | 113.7° | 109.5° |
| C10 | C11 | H9 | 108.4° | 109.4° |
| C10 | C11 | H10 | 108.4° | 109.5° |
| N1 | C20 | O3 | 120.4° | 121.3° |
| C20 | N1 | C9 | 116.4° | 119.7° |
| C13 | C12 | C11 | 116.1° | 109.5° |
| C12 | C13 | O2 | 123.0° | 120.0° |
| C13 | C12 | H11 | 107.8° | 109.5° |
| C13 | C12 | H12 | 107.8° | 109.4° |
| C12 | C11 | H9 | 108.4° | 109.5° |
| C12 | C11 | H10 | 108.4° | 109.5° |
| C11 | C12 | H11 | 107.8° | 109.5° |
| C11 | C12 | H12 | 107.8° | 109.5° |
| C13 | O2 | H20 | 109.5° | 117.0° |
| N1 | C9 | C8 | 107.3° | 109.5° |
| N1 | C9 | H7 | 110.0° | 109.5° |
| N1 | C9 | H8 | 110.0° | 109.5° |
| C9 | C8 | O4 | 121.1° | 120.0° |
| C9 | C8 | N | 114.0° | 120.0° |
| C8 | C9 | H7 | 110.0° | 109.4° |
| C8 | C9 | H8 | 110.0° | 109.5° |
| O4 | C8 | N | 124.8° | 120.0° |
| C8 | N | C7 | 122.9° | 120.0° |
| C8 | N | H13 | 118.5° | 120.0° |
| N | C7 | C6 | 109.0° | 109.5° |
| N | C7 | H5 | 109.6° | 109.4° |
| N | C7 | H6 | 109.6° | 109.5° |
| C7 | N | H13 | 118.6° | 120.0° |
| C7 | C6 | C5 | 121.2° | 120.0° |
| C7 | C6 | C1 | 120.2° | 120.0° |
| C6 | C7 | H5 | 109.6° | 109.5° |
| C6 | C7 | H6 | 109.6° | 109.5° |
| C5 | C6 | C1 | 118.4° | 120.0° |
| C6 | C5 | C4 | 120.4° | 120.0° |
| C6 | C5 | H4 | 119.8° | 120.0° |
| C6 | C1 | O | 114.5° | 120.0° |
| C6 | C1 | C2 | 121.0° | 119.9° |
| C | O | C1 | 118.0° | 117.0° |
| O | C | H14 | 109.5° | 109.5° |
| O | C | H15 | 109.5° | 109.5° |
| O | C | H16 | 109.5° | 109.5° |
| O | C1 | C2 | 124.2° | 120.1° |
| C5 | C4 | C3 | 120.6° | 120.1° |
| C5 | C4 | H3 | 119.7° | 120.0° |
| C4 | C5 | H4 | 119.8° | 120.0° |
| C1 | C2 | C3 | 118.9° | 120.0° |
| C1 | C2 | H1 | 120.5° | 120.1° |
| C4 | C3 | C2 | 120.7° | 120.0° |
| C4 | C3 | H2 | 119.6° | 120.0° |
| C3 | C4 | H3 | 119.7° | 119.9° |
| C3 | C2 | H1 | 120.6° | 120.0° |
| C2 | C3 | H2 | 119.7° | 119.9° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H7 | C9 | H8 | 109.4° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.4° | 109.4° |
| H14 | C | H15 | 109.5° | 109.5° |
| H14 | C | H16 | 109.5° | 109.4° |
| H15 | C | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C19 | C18 | C17 | 175.7° | 180.0° |
| CL | C19 | C18 | C14 | 177.3° | 179.9° |
| CL | C19 | C14 | C15 | 177.1° | 180.0° |
| CL | C19 | C14 | N2 | 5.1° | 0.0° |
| CL | C19 | C18 | H19 | 4.3° | 0.1° |
| C17 | C18 | C19 | H19 | 180.0° | 179.9° |
| C18 | C17 | C16 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C14 | 1.6° | 0.1° |
| C18 | C17 | C16 | C15 | 0.4° | 0.0° |
| C18 | C17 | C16 | H17 | 179.6° | 180.0° |
| C19 | C18 | C17 | C16 | 1.3° | 0.0° |
| C18 | C19 | C14 | C15 | 0.2° | 0.1° |
| C18 | C19 | C14 | N2 | 177.5° | 180.0° |
| C19 | C18 | C17 | H18 | 178.8° | 180.0° |
| C17 | C16 | C15 | H17 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 1.9° | 0.0° |
| C17 | C16 | C15 | C20 | 174.7° | 179.7° |
| C16 | C17 | C18 | H19 | 178.7° | 180.0° |
| C19 | C14 | C15 | C16 | 1.6° | 0.0° |
| C19 | C14 | C15 | N2 | 177.7° | 180.0° |
| C19 | C14 | C15 | C20 | 175.1° | 179.7° |
| C19 | C14 | N2 | C10 | 179.2° | 179.7° |
| C14 | C19 | C18 | H19 | 178.4° | 180.0° |
| C16 | C15 | C14 | C20 | 176.6° | 179.7° |
| C16 | C15 | C14 | N2 | 179.3° | 180.0° |
| C16 | C15 | C20 | N1 | 178.6° | 179.7° |
| C16 | C15 | C20 | O3 | 9.8° | 0.3° |
| C15 | C16 | C17 | H18 | 179.5° | 180.0° |
| C15 | C14 | N2 | C10 | 1.6° | 0.3° |
| C14 | C15 | C20 | N1 | 4.7° | 0.0° |
| C14 | C15 | C20 | O3 | 166.9° | 180.0° |
| C14 | C15 | C16 | H17 | 178.1° | 180.0° |
| N2 | C14 | C15 | C20 | 2.6° | 0.3° |
| C14 | N2 | C10 | N1 | 3.4° | 0.0° |
| C14 | N2 | C10 | C11 | 178.2° | 180.0° |
| C15 | C20 | N1 | C10 | 3.2° | 0.3° |
| C15 | C20 | N1 | O3 | 171.9° | 180.0° |
| C15 | C20 | N1 | C9 | 180.0° | 180.0° |
| C20 | C15 | C16 | H17 | 5.3° | 0.3° |
| N2 | C10 | N1 | C11 | 175.1° | 180.0° |
| N2 | C10 | N1 | C20 | 1.0° | 0.3° |
| N2 | C10 | C11 | C12 | 2.4° | 0.0° |
| N2 | C10 | N1 | C9 | 175.6° | 180.0° |
| N2 | C10 | C11 | H9 | 118.2° | 120.0° |
| N2 | C10 | C11 | H10 | 123.1° | 120.0° |
| O1 | C13 | C12 | O2 | 174.7° | 179.9° |
| O1 | C13 | C12 | C11 | 158.3° | 0.0° |
| O1 | C13 | C12 | H11 | 37.3° | 120.0° |
| O1 | C13 | C12 | H12 | 80.7° | 120.0° |
| O1 | C13 | O2 | H20 | 0.0° | 0.1° |
| C10 | N1 | C20 | C9 | 176.8° | 179.7° |
| C10 | N1 | C20 | O3 | 168.8° | 179.8° |
| N1 | C10 | C11 | C12 | 177.6° | 180.0° |
| C10 | N1 | C9 | C8 | 96.3° | 90.0° |
| C10 | N1 | C9 | H7 | 144.0° | 150.0° |
| C10 | N1 | C9 | H8 | 23.4° | 30.0° |
| N1 | C10 | C11 | H9 | 57.0° | 60.0° |
| N1 | C10 | C11 | H10 | 61.7° | 60.0° |
| C11 | C10 | N1 | C20 | 176.1° | 179.7° |
| C10 | C11 | C12 | C13 | 74.0° | 180.0° |
| C10 | C11 | C12 | H9 | 120.6° | 119.9° |
| C10 | C11 | C12 | H10 | 120.6° | 120.0° |
| C11 | C10 | N1 | C9 | 0.6° | 0.0° |
| C10 | C11 | H9 | H10 | 118.0° | 120.0° |
| C10 | C11 | C12 | H11 | 47.0° | 60.0° |
| C10 | C11 | C12 | H12 | 165.0° | 60.0° |
| C20 | N1 | C9 | C8 | 80.5° | 90.3° |
| C20 | N1 | C9 | H7 | 39.2° | 29.7° |
| C20 | N1 | C9 | H8 | 159.8° | 149.7° |
| O3 | C20 | N1 | C9 | 8.1° | 0.0° |
| C13 | C12 | C11 | H11 | 121.0° | 120.0° |
| C13 | C12 | C11 | H12 | 121.0° | 120.0° |
| C13 | C12 | C11 | H9 | 46.6° | 60.0° |
| C13 | C12 | C11 | H10 | 165.4° | 60.0° |
| C13 | C12 | H11 | H12 | 116.9° | 119.9° |
| C12 | C13 | O2 | H20 | 174.1° | 180.0° |
| C11 | C12 | C13 | O2 | 27.0° | 179.9° |
| C12 | C11 | H9 | H10 | 118.1° | 120.0° |
| C11 | C12 | H11 | H12 | 117.0° | 120.0° |
| O2 | C13 | C12 | H11 | 148.0° | 59.9° |
| O2 | C13 | C12 | H12 | 94.0° | 60.0° |
| N1 | C9 | C8 | H7 | 119.7° | 120.0° |
| N1 | C9 | C8 | H8 | 119.7° | 120.0° |
| N1 | C9 | C8 | O4 | 21.9° | 0.0° |
| N1 | C9 | C8 | N | 158.0° | 180.0° |
| N1 | C9 | H7 | H8 | 121.0° | 120.0° |
| C9 | C8 | O4 | N | 179.9° | 180.0° |
| C9 | C8 | N | C7 | 178.9° | 179.9° |
| C8 | C9 | H7 | H8 | 121.0° | 120.0° |
| C9 | C8 | N | H13 | 1.1° | 0.1° |
| O4 | C8 | N | C7 | 1.0° | 0.0° |
| O4 | C8 | C9 | H7 | 141.6° | 120.0° |
| O4 | C8 | C9 | H8 | 97.8° | 120.0° |
| O4 | C8 | N | H13 | 179.1° | 179.9° |
| C8 | N | C7 | H13 | 180.0° | 179.9° |
| C8 | N | C7 | C6 | 83.5° | 180.0° |
| C8 | N | C7 | H5 | 36.4° | 60.1° |
| C8 | N | C7 | H6 | 156.6° | 60.0° |
| N | C8 | C9 | H7 | 38.3° | 60.0° |
| N | C8 | C9 | H8 | 82.3° | 60.0° |
| N | C7 | C6 | H5 | 119.9° | 119.9° |
| N | C7 | C6 | H6 | 119.9° | 120.0° |
| N | C7 | C6 | C5 | 107.9° | 99.9° |
| N | C7 | C6 | C1 | 67.4° | 80.0° |
| N | C7 | H5 | H6 | 120.2° | 120.0° |
| C7 | C6 | C5 | C1 | 175.4° | 179.9° |
| C7 | C6 | C1 | O | 2.8° | 0.3° |
| C7 | C6 | C5 | C4 | 176.9° | 179.9° |
| C7 | C6 | C1 | C2 | 177.9° | 180.0° |
| C7 | C6 | C5 | H4 | 3.1° | 0.1° |
| C6 | C7 | H5 | H6 | 120.3° | 120.0° |
| C6 | C7 | N | H13 | 96.5° | 0.1° |
| C5 | C6 | C1 | O | 172.6° | 179.8° |
| C6 | C5 | C4 | H4 | 180.0° | 179.9° |
| C5 | C6 | C1 | C2 | 2.5° | 0.1° |
| C6 | C5 | C4 | C3 | 0.5° | 0.1° |
| C6 | C5 | C4 | H3 | 179.5° | 179.9° |
| C5 | C6 | C7 | H5 | 12.0° | 20.0° |
| C5 | C6 | C7 | H6 | 132.2° | 140.0° |
| C6 | C1 | O | C | 173.3° | 179.7° |
| C6 | C1 | O | C2 | 174.9° | 179.7° |
| C1 | C6 | C5 | C4 | 1.5° | 0.1° |
| C6 | C1 | C2 | C3 | 1.4° | 0.0° |
| C6 | C1 | C2 | H1 | 178.6° | 180.0° |
| C1 | C6 | C5 | H4 | 178.5° | 180.0° |
| C1 | C6 | C7 | H5 | 172.7° | 160.1° |
| C1 | C6 | C7 | H6 | 52.5° | 40.1° |
| C | O | C1 | C2 | 1.6° | 0.1° |
| O | C | H14 | H15 | 120.0° | 120.0° |
| O | C | H14 | H16 | 120.0° | 120.0° |
| O | C | H15 | H16 | 120.0° | 120.0° |
| O | C1 | C2 | C3 | 173.2° | 179.7° |
| O | C1 | C2 | H1 | 6.9° | 0.3° |
| C1 | O | C | H14 | 180.0° | 60.1° |
| C1 | O | C | H15 | 60.0° | 60.0° |
| C1 | O | C | H16 | 60.0° | 180.0° |
| C5 | C4 | C3 | H3 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 1.7° | 0.0° |
| C5 | C4 | C3 | H2 | 178.3° | 179.9° |
| C1 | C2 | C3 | C4 | 0.7° | 0.0° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 179.3° | 179.9° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C4 | C3 | C2 | H1 | 179.3° | 180.0° |
| C3 | C4 | C5 | H4 | 179.5° | 180.0° |
| C2 | C3 | C4 | H3 | 178.3° | 180.0° |
| H1 | C2 | C3 | H2 | 0.7° | 0.1° |
| H2 | C3 | C4 | H3 | 1.6° | 0.1° |
| H3 | C4 | C5 | H4 | 0.5° | 0.0° |
| H5 | C7 | N | H13 | 143.6° | 120.1° |
| H6 | C7 | N | H13 | 23.4° | 119.9° |
| H9 | C11 | C12 | H11 | 167.6° | 179.9° |
| H9 | C11 | C12 | H12 | 74.3° | 60.0° |
| H10 | C11 | C12 | H11 | 73.6° | 60.0° |
| H10 | C11 | C12 | H12 | 44.4° | 180.0° |
| H14 | C | H15 | H16 | 120.0° | 120.0° |
| H17 | C16 | C17 | H18 | 0.5° | 0.0° |
| H18 | C17 | C18 | H19 | 1.3° | 0.0° |
