EZQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C20 | doub | 1.32Å | 1.35Å | Aromatic |
| N4 | C17 | sing | 1.33Å | 1.34Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| C17 | C16 | doub | 1.41Å | 1.40Å | Aromatic |
| C21 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| N3 | C18 | sing | 1.37Å | 1.38Å | Aromatic |
| N1 | C11 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C12 | sing | 1.32Å | 1.34Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| C16 | C19 | sing | 1.46Å | 1.43Å | Aromatic |
| C15 | C7 | sing | 1.47Å | 1.49Å | |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.34Å | 1.36Å | Aromatic |
| C13 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C | sing | 1.39Å | 1.36Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | N | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | N | sing | 1.46Å | 1.47Å | |
| F | C | sing | 1.35Å | 1.35Å | |
| C | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| N | C14 | sing | 1.35Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.48Å | |
| C5 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | N2 | sing | 1.35Å | 1.39Å | Aromatic |
| C14 | N2 | doub | 1.30Å | 1.31Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | N4 | C17 | 116.5° | 122.0° |
| N4 | C20 | C21 | 124.3° | 121.8° |
| N4 | C20 | H14 | 117.8° | 119.0° |
| N4 | C17 | N3 | 127.3° | 133.1° |
| N4 | C17 | C16 | 124.4° | 120.0° |
| C20 | C21 | C15 | 118.5° | 119.2° |
| C20 | C21 | H13 | 120.8° | 120.3° |
| C21 | C20 | H14 | 117.8° | 119.2° |
| N3 | C17 | C16 | 108.3° | 107.0° |
| C17 | N3 | C18 | 108.0° | 110.0° |
| C17 | N3 | H2 | 126.0° | 125.0° |
| C17 | C16 | C15 | 117.6° | 119.3° |
| C17 | C16 | C19 | 106.9° | 106.4° |
| C21 | C15 | C16 | 118.6° | 117.7° |
| C21 | C15 | C7 | 119.8° | 121.1° |
| C15 | C21 | H13 | 120.7° | 120.5° |
| N3 | C18 | C19 | 110.3° | 109.9° |
| C18 | N3 | H2 | 126.0° | 125.0° |
| N3 | C18 | H15 | 124.9° | 125.1° |
| C11 | N1 | C12 | 116.6° | 121.7° |
| N1 | C11 | C10 | 123.6° | 120.8° |
| N1 | C11 | H11 | 118.2° | 119.6° |
| N1 | C12 | C13 | 123.6° | 120.7° |
| N1 | C12 | H10 | 118.2° | 119.7° |
| C11 | C10 | C9 | 119.2° | 119.1° |
| C10 | C11 | H11 | 118.2° | 119.6° |
| C11 | C10 | H12 | 120.4° | 120.4° |
| C12 | C13 | C9 | 119.3° | 119.2° |
| C12 | C13 | H9 | 120.3° | 120.4° |
| C13 | C12 | H10 | 118.2° | 119.6° |
| C15 | C16 | C19 | 135.4° | 134.3° |
| C16 | C15 | C7 | 121.5° | 121.2° |
| C16 | C19 | C18 | 106.5° | 106.8° |
| C16 | C19 | H16 | 126.7° | 126.6° |
| C15 | C7 | N | 124.3° | 127.0° |
| C15 | C7 | C6 | 130.3° | 127.0° |
| C10 | C9 | C13 | 117.7° | 118.4° |
| C10 | C9 | C8 | 121.4° | 120.8° |
| C9 | C10 | H12 | 120.4° | 120.4° |
| C19 | C18 | H15 | 124.9° | 125.1° |
| C18 | C19 | H16 | 126.7° | 126.6° |
| C13 | C9 | C8 | 120.9° | 120.8° |
| C9 | C13 | H9 | 120.4° | 120.4° |
| C4 | C3 | C | 118.3° | 120.1° |
| C3 | C4 | C5 | 121.0° | 119.9° |
| C3 | C4 | H3 | 119.5° | 120.0° |
| C4 | C3 | H4 | 120.8° | 120.0° |
| C3 | C | F | 118.2° | 119.9° |
| C3 | C | C1 | 123.0° | 120.2° |
| C | C3 | H4 | 120.9° | 119.9° |
| C9 | C8 | N | 113.5° | 109.4° |
| C9 | C8 | H7 | 108.4° | 109.5° |
| C9 | C8 | H8 | 108.5° | 109.4° |
| C4 | C5 | C6 | 120.4° | 120.1° |
| C4 | C5 | C2 | 118.7° | 119.7° |
| C5 | C4 | H3 | 119.5° | 120.0° |
| N | C7 | C6 | 105.3° | 106.1° |
| C7 | N | C8 | 127.5° | 126.3° |
| C7 | N | C14 | 106.4° | 107.4° |
| C7 | C6 | C5 | 129.6° | 126.3° |
| C7 | C6 | N2 | 110.4° | 107.4° |
| C8 | N | C14 | 126.1° | 126.3° |
| N | C8 | H7 | 108.5° | 109.5° |
| N | C8 | H8 | 108.5° | 109.5° |
| F | C | C1 | 118.9° | 119.9° |
| C | C1 | C2 | 118.3° | 120.1° |
| C | C1 | H5 | 120.9° | 119.9° |
| N | C14 | N2 | 113.4° | 109.6° |
| N | C14 | H6 | 123.3° | 125.2° |
| C6 | C5 | C2 | 120.9° | 120.1° |
| C5 | C6 | N2 | 120.0° | 126.3° |
| C5 | C2 | C1 | 120.8° | 119.9° |
| C5 | C2 | H1 | 119.6° | 120.0° |
| C6 | N2 | C14 | 104.5° | 109.5° |
| N2 | C14 | H6 | 123.3° | 125.2° |
| C1 | C2 | H1 | 119.6° | 120.1° |
| C2 | C1 | H5 | 120.8° | 119.9° |
| H7 | C8 | H8 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C20 | C21 | H14 | 180.0° | 180.0° |
| C20 | N4 | C17 | N3 | 175.6° | 180.0° |
| C20 | N4 | C17 | C16 | 0.8° | 0.0° |
| N4 | C20 | C21 | C15 | 0.4° | 0.1° |
| N4 | C20 | C21 | H13 | 179.6° | 180.0° |
| C17 | N4 | C20 | C21 | 0.7° | 0.0° |
| N4 | C17 | N3 | C16 | 176.9° | 180.0° |
| N4 | C17 | N3 | C18 | 176.8° | 180.0° |
| N4 | C17 | C16 | C15 | 0.6° | 0.0° |
| N4 | C17 | C16 | C19 | 176.6° | 179.8° |
| N4 | C17 | N3 | H2 | 3.2° | 0.3° |
| C17 | N4 | C20 | H14 | 179.3° | 180.0° |
| C20 | C21 | C15 | H13 | 180.0° | 179.9° |
| C20 | C21 | C15 | C16 | 0.2° | 0.1° |
| C20 | C21 | C15 | C7 | 178.5° | 180.0° |
| C17 | N3 | C18 | H2 | 180.0° | 179.7° |
| N3 | C17 | C16 | C15 | 176.3° | 180.0° |
| N3 | C17 | C16 | C19 | 0.4° | 0.2° |
| C17 | N3 | C18 | C19 | 0.2° | 0.3° |
| C17 | N3 | C18 | H15 | 179.8° | 179.7° |
| C17 | C16 | C15 | C21 | 0.3° | 0.0° |
| C16 | C17 | N3 | C18 | 0.1° | 0.0° |
| C17 | C16 | C15 | C19 | 174.5° | 179.7° |
| C17 | C16 | C15 | C7 | 178.4° | 180.0° |
| C17 | C16 | C19 | C18 | 0.5° | 0.4° |
| C16 | C17 | N3 | H2 | 179.9° | 179.7° |
| C17 | C16 | C19 | H16 | 179.6° | 179.9° |
| C21 | C15 | C16 | C7 | 178.7° | 180.0° |
| C21 | C15 | C16 | C19 | 174.8° | 179.6° |
| C21 | C15 | C7 | N | 44.5° | 90.0° |
| C21 | C15 | C7 | C6 | 139.2° | 90.4° |
| C15 | C21 | C20 | H14 | 179.6° | 179.9° |
| N3 | C18 | C19 | C16 | 0.4° | 0.5° |
| N3 | C18 | C19 | H15 | 180.0° | 180.0° |
| N3 | C18 | C19 | H16 | 179.6° | 179.9° |
| N1 | C11 | C10 | H11 | 180.0° | 180.0° |
| C11 | N1 | C12 | C13 | 0.4° | 0.0° |
| N1 | C11 | C10 | C9 | 0.5° | 0.0° |
| C11 | N1 | C12 | H10 | 179.6° | 180.0° |
| N1 | C11 | C10 | H12 | 179.5° | 180.0° |
| C12 | N1 | C11 | C10 | 0.8° | 0.0° |
| N1 | C12 | C13 | H10 | 180.0° | 180.0° |
| N1 | C12 | C13 | C9 | 0.1° | 0.0° |
| N1 | C12 | C13 | H9 | 179.9° | 179.9° |
| C12 | N1 | C11 | H11 | 179.2° | 180.0° |
| C11 | C10 | C9 | H12 | 180.0° | 180.0° |
| C11 | C10 | C9 | C13 | 0.1° | 0.0° |
| C11 | C10 | C9 | C8 | 177.8° | 179.9° |
| C12 | C13 | C9 | C10 | 0.4° | 0.1° |
| C12 | C13 | C9 | H9 | 180.0° | 179.9° |
| C12 | C13 | C9 | C8 | 177.5° | 180.0° |
| C15 | C16 | C19 | C18 | 175.4° | 179.9° |
| C16 | C15 | C7 | N | 134.2° | 90.0° |
| C16 | C15 | C7 | C6 | 42.1° | 89.6° |
| C16 | C15 | C21 | H13 | 179.8° | 180.0° |
| C15 | C16 | C19 | H16 | 4.6° | 0.4° |
| C19 | C16 | C15 | C7 | 3.9° | 0.3° |
| C16 | C19 | C18 | H16 | 180.0° | 179.5° |
| C16 | C19 | C18 | H15 | 179.6° | 179.6° |
| C15 | C7 | N | C6 | 177.0° | 179.7° |
| C15 | C7 | N | C8 | 1.5° | 0.3° |
| C15 | C7 | N | C14 | 177.1° | 180.0° |
| C15 | C7 | C6 | C5 | 3.1° | 0.2° |
| C15 | C7 | C6 | N2 | 176.7° | 180.0° |
| C7 | C15 | C21 | H13 | 1.5° | 0.1° |
| C10 | C9 | C13 | C8 | 177.9° | 179.9° |
| C10 | C9 | C8 | N | 15.2° | 90.0° |
| C10 | C9 | C8 | H7 | 135.8° | 150.0° |
| C10 | C9 | C8 | H8 | 105.4° | 29.9° |
| C10 | C9 | C13 | H9 | 179.7° | 179.9° |
| C9 | C10 | C11 | H11 | 179.5° | 180.0° |
| C19 | C18 | N3 | H2 | 179.8° | 180.0° |
| C13 | C9 | C8 | N | 167.0° | 90.1° |
| C13 | C9 | C8 | H7 | 46.4° | 30.0° |
| C13 | C9 | C8 | H8 | 72.4° | 150.0° |
| C9 | C13 | C12 | H10 | 179.9° | 180.0° |
| C13 | C9 | C10 | H12 | 179.9° | 179.9° |
| C4 | C3 | C | H4 | 180.0° | 179.7° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C4 | C3 | C | F | 178.6° | 179.7° |
| C4 | C3 | C | C1 | 0.5° | 0.3° |
| C3 | C4 | C5 | C6 | 176.7° | 180.0° |
| C3 | C4 | C5 | C2 | 1.4° | 0.0° |
| C | C3 | C4 | C5 | 0.7° | 0.3° |
| C3 | C | F | C1 | 179.1° | 180.0° |
| C3 | C | C1 | C2 | 0.8° | 0.0° |
| C | C3 | C4 | H3 | 179.3° | 179.7° |
| C3 | C | C1 | H5 | 179.2° | 180.0° |
| C9 | C8 | N | C7 | 105.7° | 85.3° |
| C9 | C8 | N | H7 | 120.6° | 120.0° |
| C9 | C8 | N | H8 | 120.6° | 119.9° |
| C9 | C8 | N | C14 | 76.0° | 95.1° |
| C9 | C8 | H7 | H8 | 118.1° | 120.0° |
| C8 | C9 | C13 | H9 | 2.5° | 0.1° |
| C8 | C9 | C10 | H12 | 2.2° | 0.0° |
| C4 | C5 | C6 | C7 | 34.7° | 144.7° |
| C4 | C5 | C6 | C2 | 178.1° | 179.9° |
| C4 | C5 | C6 | N2 | 145.6° | 35.0° |
| C4 | C5 | C2 | C1 | 1.1° | 0.3° |
| C4 | C5 | C2 | H1 | 179.0° | 180.0° |
| C5 | C4 | C3 | H4 | 179.3° | 180.0° |
| C7 | N | C8 | C14 | 178.3° | 179.6° |
| N | C7 | C6 | C5 | 179.9° | 179.9° |
| N | C7 | C6 | N2 | 0.1° | 0.3° |
| C7 | N | C14 | N2 | 0.2° | 0.2° |
| C7 | N | C14 | H6 | 179.8° | 179.9° |
| C7 | N | C8 | H7 | 133.7° | 154.7° |
| C7 | N | C8 | H8 | 14.9° | 34.7° |
| C6 | C7 | N | C8 | 178.6° | 179.9° |
| C6 | C7 | N | C14 | 0.0° | 0.4° |
| C7 | C6 | C5 | N2 | 179.7° | 179.7° |
| C7 | C6 | C5 | C2 | 143.4° | 35.2° |
| C7 | C6 | N2 | C14 | 0.2° | 0.2° |
| C8 | N | C14 | N2 | 178.5° | 179.9° |
| C8 | N | C14 | H6 | 1.5° | 0.2° |
| N | C8 | H7 | H8 | 118.2° | 120.0° |
| F | C | C1 | C2 | 178.2° | 180.0° |
| F | C | C3 | H4 | 1.5° | 0.0° |
| F | C | C1 | H5 | 1.8° | 0.1° |
| C | C1 | C2 | C5 | 0.0° | 0.3° |
| C | C1 | C2 | H5 | 180.0° | 179.9° |
| C | C1 | C2 | H1 | 180.0° | 179.9° |
| C1 | C | C3 | H4 | 179.5° | 180.0° |
| N | C14 | N2 | C6 | 0.2° | 0.0° |
| N | C14 | N2 | H6 | 180.0° | 179.9° |
| C14 | N | C8 | H7 | 44.6° | 24.9° |
| C14 | N | C8 | H8 | 163.4° | 145.0° |
| C5 | C6 | N2 | C14 | 180.0° | 180.0° |
| C6 | C5 | C2 | C1 | 177.1° | 179.8° |
| C6 | C5 | C2 | H1 | 2.9° | 0.1° |
| C6 | C5 | C4 | H3 | 3.3° | 0.0° |
| C2 | C5 | C6 | N2 | 36.3° | 145.1° |
| C5 | C2 | C1 | H1 | 180.0° | 179.7° |
| C2 | C5 | C4 | H3 | 178.6° | 180.0° |
| C5 | C2 | C1 | H5 | 180.0° | 179.7° |
| C6 | N2 | C14 | H6 | 179.8° | 179.9° |
| H1 | C2 | C1 | H5 | 0.0° | 0.0° |
| H2 | N3 | C18 | H15 | 0.2° | 0.0° |
| H3 | C4 | C3 | H4 | 0.7° | 0.0° |
| H9 | C13 | C12 | H10 | 0.1° | 0.1° |
| H11 | C11 | C10 | H12 | 0.5° | 0.0° |
| H13 | C21 | C20 | H14 | 0.4° | 0.0° |
| H15 | C18 | C19 | H16 | 0.3° | 0.1° |
