ZL1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.36Å | Aromatic |
| C17 | N1 | sing | 1.32Å | 1.36Å | Aromatic |
| O1 | C15 | sing | 1.36Å | 1.42Å | |
| O1 | C14 | sing | 1.36Å | 1.41Å | |
| C15 | C1D | doub | 1.39Å | 1.37Å | Aromatic |
| C14 | C1E | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C18 | doub | 1.32Å | 1.36Å | Aromatic |
| C1 | N | sing | 1.40Å | 1.47Å | |
| C1 | C1F | doub | 1.39Å | 1.40Å | Aromatic |
| C1D | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | N12 | sing | 1.39Å | 1.47Å | |
| N | C | sing | 1.35Å | 1.47Å | |
| O12 | C19 | doub | 1.21Å | 1.19Å | |
| N12 | C19 | sing | 1.35Å | 1.47Å | |
| C1E | C1F | sing | 1.38Å | 1.39Å | Aromatic |
| C1E | F | sing | 1.35Å | 1.37Å | |
| C1H | C1I | sing | 1.39Å | 1.37Å | |
| C1H | C1G | doub | 1.39Å | 1.37Å | |
| C19 | C1A | sing | 1.51Å | 1.54Å | |
| C1C | C1A | sing | 1.53Å | 1.53Å | |
| C1C | C1B | sing | 1.53Å | 1.53Å | |
| C1I | C1L | doub | 1.36Å | 1.40Å | |
| C | C1G | sing | 1.47Å | 1.54Å | |
| C | O | doub | 1.22Å | 1.19Å | |
| C1A | C1B | sing | 1.53Å | 1.53Å | |
| C1G | C1R | sing | 1.42Å | 1.39Å | |
| C1L | N13 | sing | 1.36Å | 1.36Å | |
| C1R | N13 | sing | 1.35Å | 1.36Å | |
| C1R | O13 | doub | 1.22Å | 1.19Å | |
| N13 | C1K | sing | 1.40Å | 1.34Å | |
| C1M | C1K | doub | 1.39Å | 1.39Å | Aromatic |
| C1M | C1N | sing | 1.38Å | 1.39Å | Aromatic |
| C1K | C1Q | sing | 1.39Å | 1.40Å | Aromatic |
| C1N | C1O | doub | 1.38Å | 1.40Å | Aromatic |
| C1Q | C1P | doub | 1.38Å | 1.39Å | Aromatic |
| C1O | C1P | sing | 1.38Å | 1.40Å | Aromatic |
| C1O | F1 | sing | 1.35Å | 1.37Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C1A | H6 | sing | 1.09Å | 1.10Å | |
| C1B | H7 | sing | 1.09Å | 1.10Å | |
| C1B | H8 | sing | 1.09Å | 1.10Å | |
| C1C | H9 | sing | 1.09Å | 1.10Å | |
| C1C | H10 | sing | 1.09Å | 1.10Å | |
| C1D | H11 | sing | 1.08Å | 1.08Å | |
| C1F | H12 | sing | 1.08Å | 1.08Å | |
| C1H | H13 | sing | 1.08Å | 1.08Å | |
| C1I | H14 | sing | 1.08Å | 1.08Å | |
| C1L | H15 | sing | 1.08Å | 1.08Å | |
| C1M | H16 | sing | 1.08Å | 1.08Å | |
| C1N | H17 | sing | 1.08Å | 1.08Å | |
| C1P | H18 | sing | 1.08Å | 1.08Å | |
| C1Q | H19 | sing | 1.08Å | 1.08Å | |
| N12 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C14 | 119.9° | 120.0° |
| C13 | C12 | C1 | 120.2° | 120.0° |
| C13 | C12 | H1 | 119.9° | 120.0° |
| C12 | C13 | H2 | 120.1° | 120.0° |
| C13 | C14 | O1 | 120.9° | 120.0° |
| C13 | C14 | C1E | 120.1° | 120.1° |
| C14 | C13 | H2 | 120.0° | 119.9° |
| C12 | C1 | N | 120.1° | 120.0° |
| C12 | C1 | C1F | 119.5° | 120.0° |
| C1 | C12 | H1 | 119.9° | 120.0° |
| C17 | C16 | C15 | 120.3° | 119.3° |
| C16 | C17 | N1 | 119.8° | 120.8° |
| C17 | C16 | H3 | 119.8° | 120.4° |
| C16 | C17 | H4 | 120.1° | 119.6° |
| C16 | C15 | O1 | 116.5° | 120.8° |
| C16 | C15 | C1D | 120.0° | 118.4° |
| C15 | C16 | H3 | 119.8° | 120.3° |
| C17 | N1 | C18 | 120.7° | 121.8° |
| N1 | C17 | H4 | 120.1° | 119.6° |
| C15 | O1 | C14 | 114.5° | 117.9° |
| O1 | C15 | C1D | 123.4° | 120.8° |
| O1 | C14 | C1E | 119.0° | 119.9° |
| C15 | C1D | C18 | 119.3° | 119.0° |
| C15 | C1D | H11 | 120.4° | 120.5° |
| C14 | C1E | C1F | 120.0° | 119.9° |
| C14 | C1E | F | 119.9° | 120.1° |
| N1 | C18 | C1D | 119.8° | 120.7° |
| N1 | C18 | N12 | 115.7° | 119.6° |
| N | C1 | C1F | 120.4° | 120.0° |
| C1 | N | C | 121.9° | 120.0° |
| C1 | N | H5 | 119.0° | 120.0° |
| C1 | C1F | C1E | 120.4° | 119.9° |
| C1 | C1F | H12 | 119.8° | 120.0° |
| C1D | C18 | N12 | 124.4° | 119.7° |
| C18 | C1D | H11 | 120.3° | 120.4° |
| C18 | N12 | C19 | 126.9° | 120.0° |
| C18 | N12 | H20 | 116.6° | 120.0° |
| N | C | C1G | 120.8° | 120.0° |
| N | C | O | 121.2° | 120.0° |
| C | N | H5 | 119.1° | 120.0° |
| O12 | C19 | N12 | 122.0° | 120.0° |
| O12 | C19 | C1A | 120.2° | 120.0° |
| N12 | C19 | C1A | 117.8° | 120.0° |
| C19 | N12 | H20 | 116.5° | 120.0° |
| C1F | C1E | F | 120.2° | 120.0° |
| C1E | C1F | H12 | 119.8° | 120.1° |
| C1I | C1H | C1G | 119.7° | 119.0° |
| C1H | C1I | C1L | 120.0° | 120.1° |
| C1I | C1H | H13 | 120.2° | 120.6° |
| C1H | C1I | H14 | 120.0° | 119.9° |
| C1H | C1G | C | 121.1° | 120.6° |
| C1H | C1G | C1R | 120.2° | 118.8° |
| C1G | C1H | H13 | 120.2° | 120.5° |
| C19 | C1A | C1C | 115.5° | 117.5° |
| C19 | C1A | C1B | 116.4° | 117.5° |
| C19 | C1A | H6 | 117.3° | 115.5° |
| C1A | C1C | C1B | 59.9° | 60.0° |
| C1C | C1A | C1B | 60.1° | 60.0° |
| C1C | C1A | H6 | 117.6° | 117.5° |
| C1A | C1C | H9 | 120.0° | 117.5° |
| C1A | C1C | H10 | 120.0° | 117.5° |
| C1C | C1B | C1A | 60.0° | 60.0° |
| C1C | C1B | H7 | 120.0° | 117.5° |
| C1C | C1B | H8 | 120.0° | 117.5° |
| C1B | C1C | H9 | 120.0° | 117.5° |
| C1B | C1C | H10 | 120.0° | 117.5° |
| C1I | C1L | N13 | 120.1° | 121.2° |
| C1L | C1I | H14 | 120.0° | 119.9° |
| C1I | C1L | H15 | 120.0° | 119.4° |
| C1G | C | O | 118.0° | 120.0° |
| C | C1G | C1R | 118.7° | 120.6° |
| C1B | C1A | H6 | 117.6° | 117.5° |
| C1A | C1B | H7 | 120.0° | 117.5° |
| C1A | C1B | H8 | 120.0° | 117.5° |
| C1G | C1R | N13 | 120.1° | 119.8° |
| C1G | C1R | O13 | 119.8° | 120.1° |
| C1L | N13 | C1R | 119.9° | 121.0° |
| C1L | N13 | C1K | 120.7° | 119.5° |
| N13 | C1L | H15 | 120.0° | 119.4° |
| N13 | C1R | O13 | 120.2° | 120.1° |
| C1R | N13 | C1K | 119.4° | 119.5° |
| N13 | C1K | C1M | 120.2° | 120.0° |
| N13 | C1K | C1Q | 119.7° | 120.0° |
| C1K | C1M | C1N | 119.8° | 120.0° |
| C1M | C1K | C1Q | 120.1° | 119.9° |
| C1K | C1M | H16 | 120.1° | 120.0° |
| C1M | C1N | C1O | 120.0° | 120.0° |
| C1N | C1M | H16 | 120.1° | 120.0° |
| C1M | C1N | H17 | 120.0° | 120.0° |
| C1K | C1Q | C1P | 120.1° | 119.9° |
| C1K | C1Q | H19 | 120.0° | 120.0° |
| C1N | C1O | C1P | 120.1° | 120.1° |
| C1N | C1O | F1 | 120.0° | 119.9° |
| C1O | C1N | H17 | 120.0° | 120.0° |
| C1Q | C1P | C1O | 119.8° | 120.0° |
| C1Q | C1P | H18 | 120.1° | 119.9° |
| C1P | C1Q | H19 | 120.0° | 120.1° |
| C1P | C1O | F1 | 119.9° | 119.9° |
| C1O | C1P | H18 | 120.1° | 120.0° |
| H7 | C1B | H8 | 109.5° | 115.5° |
| H9 | C1C | H10 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C14 | H2 | 180.0° | 180.0° |
| C13 | C12 | C1 | H1 | 180.0° | 179.9° |
| C12 | C13 | C14 | O1 | 179.4° | 180.0° |
| C12 | C13 | C14 | C1E | 1.0° | 0.0° |
| C13 | C12 | C1 | N | 179.7° | 180.0° |
| C13 | C12 | C1 | C1F | 0.5° | 0.2° |
| C14 | C13 | C12 | C1 | 0.4° | 0.0° |
| C13 | C14 | O1 | C15 | 85.6° | 5.8° |
| C13 | C14 | O1 | C1E | 178.5° | 180.0° |
| C13 | C14 | C1E | C1F | 0.7° | 0.3° |
| C13 | C14 | C1E | F | 179.5° | 180.0° |
| C14 | C13 | C12 | H1 | 179.6° | 180.0° |
| C12 | C1 | N | C1F | 179.1° | 179.8° |
| C12 | C1 | N | C | 140.9° | 30.5° |
| C12 | C1 | C1F | C1E | 0.8° | 0.5° |
| C1 | C12 | C13 | H2 | 179.6° | 179.9° |
| C12 | C1 | N | H5 | 39.1° | 149.5° |
| C12 | C1 | C1F | H12 | 179.2° | 179.8° |
| C17 | C16 | C15 | H3 | 180.0° | 180.0° |
| C16 | C17 | N1 | H4 | 180.0° | 180.0° |
| C17 | C16 | C15 | O1 | 179.8° | 179.7° |
| C17 | C16 | C15 | C1D | 0.1° | 0.0° |
| C16 | C17 | N1 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | N1 | 0.1° | 0.0° |
| C16 | C15 | O1 | C1D | 179.7° | 179.7° |
| C16 | C15 | O1 | C14 | 164.9° | 102.6° |
| C16 | C15 | C1D | C18 | 0.3° | 0.0° |
| C15 | C16 | C17 | H4 | 179.8° | 180.0° |
| C16 | C15 | C1D | H11 | 179.7° | 180.0° |
| C17 | N1 | C18 | C1D | 0.1° | 0.0° |
| C17 | N1 | C18 | N12 | 179.7° | 180.0° |
| N1 | C17 | C16 | H3 | 179.9° | 180.0° |
| C15 | O1 | C14 | C1E | 95.9° | 174.1° |
| O1 | C15 | C1D | C18 | 180.0° | 179.7° |
| O1 | C15 | C16 | H3 | 0.2° | 0.3° |
| O1 | C15 | C1D | H11 | 0.0° | 0.3° |
| C14 | O1 | C15 | C1D | 15.4° | 77.7° |
| O1 | C14 | C1E | C1F | 179.2° | 179.7° |
| O1 | C14 | C1E | F | 1.0° | 0.1° |
| O1 | C14 | C13 | H2 | 0.5° | 0.0° |
| C15 | C1D | C18 | N1 | 0.3° | 0.0° |
| C15 | C1D | C18 | H11 | 180.0° | 180.0° |
| C15 | C1D | C18 | N12 | 179.9° | 180.0° |
| C1D | C15 | C16 | H3 | 179.9° | 180.0° |
| C14 | C1E | C1F | C1 | 0.2° | 0.5° |
| C14 | C1E | C1F | F | 179.8° | 179.7° |
| C1E | C14 | C13 | H2 | 179.0° | 180.0° |
| C14 | C1E | C1F | H12 | 179.8° | 179.7° |
| N1 | C18 | C1D | N12 | 179.6° | 180.0° |
| N1 | C18 | N12 | C19 | 160.2° | 5.6° |
| C18 | N1 | C17 | H4 | 179.8° | 180.0° |
| N1 | C18 | C1D | H11 | 179.7° | 180.0° |
| N1 | C18 | N12 | H20 | 19.7° | 174.3° |
| C1 | N | C | H5 | 180.0° | 180.0° |
| N | C1 | C1F | C1E | 179.9° | 179.8° |
| C1 | N | C | C1G | 179.8° | 172.7° |
| C1 | N | C | O | 0.2° | 7.4° |
| N | C1 | C12 | H1 | 0.3° | 0.0° |
| N | C1 | C1F | H12 | 0.1° | 0.0° |
| C1F | C1 | N | C | 40.0° | 149.7° |
| C1 | C1F | C1E | H12 | 180.0° | 179.8° |
| C1 | C1F | C1E | F | 179.6° | 179.8° |
| C1F | C1 | C12 | H1 | 179.5° | 179.8° |
| C1F | C1 | N | H5 | 140.0° | 30.3° |
| C1D | C18 | N12 | C19 | 20.1° | 174.4° |
| C1D | C18 | N12 | H20 | 159.9° | 5.7° |
| C18 | N12 | C19 | O12 | 0.3° | 5.1° |
| C18 | N12 | C19 | H20 | 180.0° | 179.9° |
| C18 | N12 | C19 | C1A | 179.6° | 174.8° |
| N12 | C18 | C1D | H11 | 0.1° | 0.0° |
| N | C | C1G | C1H | 57.9° | 166.4° |
| N | C | C1G | O | 179.9° | 180.0° |
| N | C | C1G | C1R | 122.7° | 13.4° |
| O12 | C19 | N12 | C1A | 179.9° | 179.9° |
| O12 | C19 | C1A | C1C | 39.1° | 68.7° |
| O12 | C19 | C1A | C1B | 28.5° | 0.0° |
| O12 | C19 | C1A | H6 | 175.5° | 145.7° |
| O12 | C19 | N12 | H20 | 179.7° | 174.8° |
| N12 | C19 | C1A | C1C | 140.8° | 111.4° |
| N12 | C19 | C1A | C1B | 151.6° | 180.0° |
| N12 | C19 | C1A | H6 | 4.6° | 34.3° |
| F | C1E | C1F | H12 | 0.4° | 0.1° |
| C1I | C1H | C1G | H13 | 180.0° | 180.0° |
| C1H | C1I | C1L | H14 | 180.0° | 180.0° |
| C1I | C1H | C1G | C | 179.7° | 180.0° |
| C1I | C1H | C1G | C1R | 0.3° | 0.2° |
| C1H | C1I | C1L | N13 | 0.1° | 0.0° |
| C1H | C1I | C1L | H15 | 179.9° | 180.0° |
| C1G | C1H | C1I | C1L | 0.2° | 0.0° |
| C1H | C1G | C | C1R | 179.5° | 179.8° |
| C1H | C1G | C | O | 122.2° | 13.6° |
| C1H | C1G | C1R | N13 | 0.3° | 0.5° |
| C1H | C1G | C1R | O13 | 179.9° | 179.7° |
| C1G | C1H | C1I | H14 | 179.8° | 180.0° |
| C19 | C1A | C1C | C1B | 107.1° | 107.5° |
| C19 | C1A | C1C | H6 | 145.3° | 145.0° |
| C19 | C1A | C1B | H6 | 146.9° | 145.0° |
| C19 | C1A | C1B | H7 | 3.9° | 145.0° |
| C19 | C1A | C1B | H8 | 145.0° | 0.0° |
| C19 | C1A | C1C | H9 | 2.4° | 0.0° |
| C19 | C1A | C1C | H10 | 143.5° | 144.9° |
| C1A | C19 | N12 | H20 | 0.4° | 5.2° |
| C1A | C1C | C1B | H9 | 109.4° | 107.4° |
| C1A | C1C | C1B | H10 | 109.5° | 107.5° |
| C1C | C1A | C1B | H6 | 107.6° | 107.5° |
| C1A | C1C | C1B | H7 | 109.4° | 107.5° |
| C1A | C1C | C1B | H8 | 109.5° | 107.5° |
| C1A | C1C | H9 | H10 | 144.8° | 145.6° |
| C1C | C1B | H7 | H8 | 144.8° | 145.7° |
| C1B | C1C | H9 | H10 | 144.8° | 145.8° |
| C1I | C1L | N13 | H15 | 180.0° | 179.9° |
| C1I | C1L | N13 | C1R | 0.1° | 0.2° |
| C1I | C1L | N13 | C1K | 179.9° | 180.0° |
| C1L | C1I | C1H | H13 | 179.8° | 180.0° |
| C | C1G | C1R | N13 | 179.8° | 179.7° |
| C | C1G | C1R | O13 | 0.4° | 0.1° |
| C1G | C | N | H5 | 0.2° | 7.3° |
| C | C1G | C1H | H13 | 0.3° | 0.0° |
| O | C | C1G | C1R | 57.3° | 166.6° |
| O | C | N | H5 | 179.8° | 172.6° |
| C1A | C1B | H7 | H8 | 144.7° | 145.7° |
| C1G | C1R | N13 | C1L | 0.2° | 0.5° |
| C1G | C1R | N13 | O13 | 179.9° | 179.8° |
| C1G | C1R | N13 | C1K | 180.0° | 179.8° |
| C1R | C1G | C1H | H13 | 179.7° | 179.8° |
| C1L | N13 | C1R | C1K | 179.8° | 179.7° |
| C1L | N13 | C1R | O13 | 179.9° | 179.7° |
| C1L | N13 | C1K | C1M | 78.3° | 111.4° |
| C1L | N13 | C1K | C1Q | 102.1° | 68.3° |
| N13 | C1L | C1I | H14 | 179.9° | 180.0° |
| C1R | N13 | C1K | C1M | 101.9° | 68.9° |
| C1R | N13 | C1K | C1Q | 77.6° | 111.5° |
| C1R | N13 | C1L | H15 | 179.9° | 179.7° |
| O13 | C1R | N13 | C1K | 0.2° | 0.0° |
| N13 | C1K | C1M | C1Q | 179.6° | 179.7° |
| N13 | C1K | C1M | C1N | 179.8° | 179.7° |
| N13 | C1K | C1Q | C1P | 179.7° | 179.8° |
| C1K | N13 | C1L | H15 | 0.1° | 0.0° |
| N13 | C1K | C1M | H16 | 0.2° | 0.3° |
| N13 | C1K | C1Q | H19 | 0.3° | 0.3° |
| C1K | C1M | C1N | H16 | 180.0° | 180.0° |
| C1K | C1M | C1N | C1O | 0.2° | 0.0° |
| C1M | C1K | C1Q | C1P | 0.2° | 0.1° |
| C1K | C1M | C1N | H17 | 179.8° | 180.0° |
| C1M | C1K | C1Q | H19 | 179.9° | 180.0° |
| C1N | C1M | C1K | C1Q | 0.3° | 0.0° |
| C1M | C1N | C1O | H17 | 180.0° | 180.0° |
| C1M | C1N | C1O | C1P | 0.1° | 0.0° |
| C1M | C1N | C1O | F1 | 180.0° | 179.9° |
| C1K | C1Q | C1P | H19 | 180.0° | 179.9° |
| C1K | C1Q | C1P | C1O | 0.0° | 0.1° |
| C1Q | C1K | C1M | H16 | 179.7° | 180.0° |
| C1K | C1Q | C1P | H18 | 180.0° | 180.0° |
| C1N | C1O | C1P | C1Q | 0.0° | 0.1° |
| C1N | C1O | C1P | F1 | 180.0° | 179.9° |
| C1O | C1N | C1M | H16 | 179.8° | 180.0° |
| C1N | C1O | C1P | H18 | 180.0° | 180.0° |
| C1Q | C1P | C1O | H18 | 180.0° | 179.9° |
| C1Q | C1P | C1O | F1 | 179.9° | 180.0° |
| C1P | C1O | C1N | H17 | 179.9° | 180.0° |
| C1O | C1P | C1Q | H19 | 180.0° | 180.0° |
| F1 | C1O | C1N | H17 | 0.0° | 0.0° |
| F1 | C1O | C1P | H18 | 0.1° | 0.1° |
| H1 | C12 | C13 | H2 | 0.4° | 0.0° |
| H3 | C16 | C17 | H4 | 0.2° | 0.0° |
| H6 | C1A | C1B | H7 | 143.0° | 0.0° |
| H6 | C1A | C1B | H8 | 1.9° | 145.0° |
| H6 | C1A | C1C | H9 | 142.9° | 145.0° |
| H6 | C1A | C1C | H10 | 1.8° | 0.0° |
| H7 | C1B | C1C | H9 | 0.0° | 145.0° |
| H7 | C1B | C1C | H10 | 141.1° | 0.0° |
| H8 | C1B | C1C | H9 | 141.1° | 0.0° |
| H8 | C1B | C1C | H10 | 0.0° | 145.0° |
| H13 | C1H | C1I | H14 | 0.2° | 0.0° |
| H14 | C1I | C1L | H15 | 0.1° | 0.0° |
| H16 | C1M | C1N | H17 | 0.2° | 0.0° |
| H18 | C1P | C1Q | H19 | 0.0° | 0.0° |
