ZL9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | C23 | doub | 1.21Å | 1.22Å | |
| C23 | N24 | sing | 1.35Å | 1.42Å | |
| C23 | C22 | sing | 1.51Å | 1.53Å | |
| N24 | C26 | sing | 1.40Å | 1.41Å | |
| C22 | O21 | sing | 1.43Å | 1.41Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| O21 | C20 | sing | 1.36Å | 1.36Å | |
| C27 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | O16 | sing | 1.36Å | 1.39Å | |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| O16 | C15 | sing | 1.43Å | 1.43Å | |
| C15 | C14 | sing | 1.53Å | 1.56Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C01 | O02 | sing | 1.43Å | 1.41Å | |
| C13 | N12 | sing | 1.47Å | 1.48Å | |
| O02 | C03 | sing | 1.36Å | 1.37Å | |
| N12 | C11 | sing | 1.47Å | 1.48Å | |
| C03 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C08 | sing | 1.39Å | 1.41Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.57Å | |
| O09 | C10 | sing | 1.43Å | 1.42Å | |
| O09 | C08 | sing | 1.36Å | 1.38Å | |
| C08 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| N12 | H23 | sing | 1.01Å | 1.00Å | |
| N24 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | C23 | N24 | 121.2° | 120.1° |
| O25 | C23 | C22 | 122.8° | 120.1° |
| N24 | C23 | C22 | 116.0° | 119.8° |
| C23 | N24 | C26 | 120.3° | 119.0° |
| C23 | N24 | H25 | 119.8° | 120.5° |
| C23 | C22 | O21 | 110.7° | 109.6° |
| C23 | C22 | H20 | 109.2° | 109.4° |
| C23 | C22 | H21 | 109.2° | 109.4° |
| N24 | C26 | C27 | 124.1° | 120.7° |
| N24 | C26 | C20 | 116.5° | 119.3° |
| C26 | N24 | H25 | 119.8° | 120.5° |
| C22 | O21 | C20 | 115.3° | 116.7° |
| O21 | C22 | H20 | 109.2° | 109.5° |
| O21 | C22 | H21 | 109.2° | 109.4° |
| C27 | C26 | C20 | 119.3° | 120.0° |
| C26 | C27 | C17 | 121.3° | 119.8° |
| C26 | C27 | H22 | 119.3° | 120.1° |
| C26 | C20 | O21 | 121.8° | 119.4° |
| C26 | C20 | C19 | 119.7° | 119.9° |
| O21 | C20 | C19 | 118.5° | 120.6° |
| C27 | C17 | O16 | 119.0° | 120.0° |
| C27 | C17 | C18 | 118.4° | 120.1° |
| C17 | C27 | H22 | 119.3° | 120.1° |
| C20 | C19 | C18 | 120.7° | 120.0° |
| C20 | C19 | H19 | 119.6° | 120.0° |
| O16 | C17 | C18 | 122.6° | 120.0° |
| C17 | O16 | C15 | 119.4° | 117.0° |
| C17 | C18 | C19 | 120.4° | 120.2° |
| C17 | C18 | H18 | 119.8° | 119.9° |
| C19 | C18 | H18 | 119.8° | 119.9° |
| C18 | C19 | H19 | 119.6° | 120.1° |
| O16 | C15 | C14 | 114.3° | 109.5° |
| O16 | C15 | H16 | 108.3° | 109.5° |
| O16 | C15 | H17 | 108.3° | 109.5° |
| C15 | C14 | C13 | 113.2° | 109.5° |
| C15 | C14 | H14 | 108.6° | 109.4° |
| C15 | C14 | H15 | 108.5° | 109.5° |
| C14 | C15 | H16 | 108.2° | 109.4° |
| C14 | C15 | H17 | 108.3° | 109.5° |
| C14 | C13 | N12 | 113.9° | 109.5° |
| C14 | C13 | H12 | 108.3° | 109.5° |
| C14 | C13 | H13 | 108.3° | 109.4° |
| C13 | C14 | H14 | 108.5° | 109.4° |
| C13 | C14 | H15 | 108.6° | 109.5° |
| C01 | O02 | C03 | 116.7° | 117.0° |
| O02 | C01 | H1 | 109.5° | 109.4° |
| O02 | C01 | H2 | 109.5° | 109.5° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| C13 | N12 | C11 | 114.6° | 111.0° |
| N12 | C13 | H12 | 108.4° | 109.5° |
| N12 | C13 | H13 | 108.4° | 109.4° |
| C13 | N12 | H23 | 108.2° | 111.0° |
| O02 | C03 | C04 | 118.7° | 120.1° |
| O02 | C03 | C08 | 120.7° | 120.1° |
| N12 | C11 | C10 | 111.8° | 109.5° |
| N12 | C11 | H10 | 108.9° | 109.4° |
| N12 | C11 | H11 | 108.9° | 109.5° |
| C11 | N12 | H23 | 108.1° | 111.1° |
| C04 | C03 | C08 | 120.5° | 119.8° |
| C03 | C04 | C05 | 120.2° | 120.0° |
| C03 | C04 | H4 | 119.9° | 120.0° |
| C03 | C08 | O09 | 121.6° | 120.1° |
| C03 | C08 | C07 | 117.9° | 119.9° |
| C04 | C05 | C06 | 119.5° | 120.2° |
| C05 | C04 | H4 | 119.9° | 120.0° |
| C04 | C05 | H5 | 120.2° | 119.9° |
| C11 | C10 | O09 | 109.7° | 109.5° |
| C11 | C10 | H8 | 109.4° | 109.5° |
| C11 | C10 | H9 | 109.4° | 109.5° |
| C10 | C11 | H10 | 108.9° | 109.5° |
| C10 | C11 | H11 | 108.9° | 109.5° |
| C10 | O09 | C08 | 119.3° | 117.0° |
| O09 | C10 | H8 | 109.4° | 109.4° |
| O09 | C10 | H9 | 109.4° | 109.4° |
| O09 | C08 | C07 | 120.5° | 120.1° |
| C08 | C07 | C06 | 121.2° | 120.0° |
| C08 | C07 | H7 | 119.4° | 120.0° |
| C05 | C06 | C07 | 120.6° | 120.1° |
| C06 | C05 | H5 | 120.2° | 119.9° |
| C05 | C06 | H6 | 119.7° | 119.9° |
| C07 | C06 | H6 | 119.7° | 119.9° |
| C06 | C07 | H7 | 119.4° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.4° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.4° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | C23 | N24 | C22 | 179.1° | 179.6° |
| O25 | C23 | N24 | C26 | 180.0° | 178.3° |
| O25 | C23 | C22 | O21 | 146.9° | 148.8° |
| O25 | C23 | C22 | H20 | 93.0° | 91.1° |
| O25 | C23 | C22 | H21 | 26.7° | 28.8° |
| O25 | C23 | N24 | H25 | 0.0° | 1.7° |
| C23 | N24 | C26 | H25 | 180.0° | 179.9° |
| N24 | C23 | C22 | O21 | 34.0° | 31.6° |
| C23 | N24 | C26 | C27 | 163.3° | 164.5° |
| C23 | N24 | C26 | C20 | 17.0° | 15.1° |
| N24 | C23 | C22 | H20 | 86.2° | 88.5° |
| N24 | C23 | C22 | H21 | 154.2° | 151.6° |
| C22 | C23 | N24 | C26 | 0.9° | 2.1° |
| C23 | C22 | O21 | H20 | 120.2° | 120.0° |
| C23 | C22 | O21 | H21 | 120.2° | 120.0° |
| C23 | C22 | O21 | C20 | 50.9° | 46.4° |
| C23 | C22 | H20 | H21 | 119.5° | 119.9° |
| C22 | C23 | N24 | H25 | 179.1° | 177.9° |
| N24 | C26 | C27 | C20 | 179.7° | 179.5° |
| N24 | C26 | C20 | O21 | 0.3° | 0.1° |
| N24 | C26 | C27 | C17 | 179.9° | 179.9° |
| N24 | C26 | C20 | C19 | 180.0° | 179.8° |
| N24 | C26 | C27 | H22 | 0.2° | 0.5° |
| C22 | O21 | C20 | C26 | 35.6° | 32.8° |
| C22 | O21 | C20 | C19 | 144.1° | 147.1° |
| O21 | C22 | H20 | H21 | 119.5° | 120.0° |
| C27 | C26 | C20 | O21 | 180.0° | 179.6° |
| C26 | C27 | C17 | H22 | 180.0° | 179.5° |
| C27 | C26 | C20 | C19 | 0.3° | 0.3° |
| C26 | C27 | C17 | O16 | 179.8° | 179.8° |
| C26 | C27 | C17 | C18 | 0.2° | 0.5° |
| C27 | C26 | N24 | H25 | 16.7° | 15.6° |
| C26 | C20 | O21 | C19 | 179.7° | 180.0° |
| C20 | C26 | C27 | C17 | 0.1° | 0.5° |
| C26 | C20 | C19 | C18 | 0.0° | 0.0° |
| C26 | C20 | C19 | H19 | 180.0° | 179.9° |
| C20 | C26 | C27 | H22 | 179.9° | 180.0° |
| C20 | C26 | N24 | H25 | 163.0° | 164.9° |
| O21 | C20 | C19 | C18 | 179.8° | 179.9° |
| O21 | C20 | C19 | H19 | 0.2° | 0.1° |
| C20 | O21 | C22 | H20 | 69.3° | 73.6° |
| C20 | O21 | C22 | H21 | 171.1° | 166.4° |
| C27 | C17 | O16 | C18 | 179.6° | 179.8° |
| C27 | C17 | C18 | C19 | 0.5° | 0.2° |
| C27 | C17 | O16 | C15 | 140.9° | 179.7° |
| C27 | C17 | C18 | H18 | 179.5° | 179.7° |
| C20 | C19 | C18 | C17 | 0.4° | 0.0° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | H18 | 179.6° | 179.9° |
| O16 | C17 | C18 | C19 | 179.9° | 180.0° |
| C17 | O16 | C15 | C14 | 56.8° | 180.0° |
| C17 | O16 | C15 | H16 | 177.5° | 60.1° |
| C17 | O16 | C15 | H17 | 63.9° | 60.0° |
| O16 | C17 | C18 | H18 | 0.1° | 0.0° |
| O16 | C17 | C27 | H22 | 0.2° | 0.3° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C18 | C17 | O16 | C15 | 39.5° | 0.0° |
| C17 | C18 | C19 | H19 | 179.6° | 180.0° |
| C18 | C17 | C27 | H22 | 179.7° | 180.0° |
| O16 | C15 | C14 | H16 | 120.7° | 120.0° |
| O16 | C15 | C14 | H17 | 120.7° | 120.1° |
| O16 | C15 | C14 | C13 | 134.6° | 180.0° |
| O16 | C15 | C14 | H14 | 104.8° | 60.1° |
| O16 | C15 | C14 | H15 | 14.0° | 59.9° |
| O16 | C15 | H16 | H17 | 117.8° | 120.1° |
| C15 | C14 | C13 | H14 | 120.6° | 119.9° |
| C15 | C14 | C13 | H15 | 120.6° | 120.1° |
| C15 | C14 | C13 | N12 | 68.9° | 180.0° |
| C15 | C14 | C13 | H12 | 170.4° | 59.9° |
| C15 | C14 | C13 | H13 | 51.8° | 60.1° |
| C15 | C14 | H14 | H15 | 118.3° | 120.0° |
| C14 | C15 | H16 | H17 | 117.8° | 120.0° |
| C14 | C13 | N12 | H12 | 120.7° | 120.1° |
| C14 | C13 | N12 | H13 | 120.7° | 119.9° |
| C14 | C13 | N12 | C11 | 150.9° | 180.0° |
| C14 | C13 | H12 | H13 | 117.9° | 120.0° |
| C13 | C14 | H14 | H15 | 118.3° | 120.0° |
| C13 | C14 | C15 | H16 | 13.9° | 60.1° |
| C13 | C14 | C15 | H17 | 104.7° | 59.9° |
| C14 | C13 | N12 | H23 | 88.3° | 55.9° |
| C01 | O02 | C03 | C04 | 54.8° | 0.0° |
| C01 | O02 | C03 | C08 | 125.9° | 179.7° |
| O02 | C01 | H1 | H2 | 120.0° | 120.0° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C13 | N12 | C11 | H23 | 120.8° | 124.0° |
| C13 | N12 | C11 | C10 | 109.3° | 180.0° |
| C13 | N12 | C11 | H10 | 130.4° | 60.1° |
| C13 | N12 | C11 | H11 | 11.1° | 59.9° |
| N12 | C13 | H12 | H13 | 118.0° | 120.0° |
| N12 | C13 | C14 | H14 | 51.7° | 60.1° |
| N12 | C13 | C14 | H15 | 170.6° | 59.9° |
| O02 | C03 | C04 | C08 | 179.3° | 179.7° |
| O02 | C03 | C04 | C05 | 179.7° | 179.7° |
| O02 | C03 | C08 | O09 | 1.2° | 0.3° |
| O02 | C03 | C08 | C07 | 180.0° | 179.8° |
| C03 | O02 | C01 | H1 | 180.0° | 60.0° |
| C03 | O02 | C01 | H2 | 60.0° | 60.0° |
| C03 | O02 | C01 | H3 | 60.0° | 180.0° |
| O02 | C03 | C04 | H4 | 0.3° | 0.3° |
| N12 | C11 | C10 | H10 | 120.3° | 119.9° |
| N12 | C11 | C10 | H11 | 120.3° | 120.1° |
| N12 | C11 | C10 | O09 | 139.5° | 65.1° |
| N12 | C11 | C10 | H8 | 19.5° | 175.0° |
| N12 | C11 | C10 | H9 | 100.4° | 54.9° |
| N12 | C11 | H10 | H11 | 118.9° | 120.0° |
| C11 | N12 | C13 | H12 | 30.2° | 59.9° |
| C11 | N12 | C13 | H13 | 88.4° | 60.1° |
| C03 | C04 | C05 | H4 | 180.0° | 180.0° |
| C04 | C03 | C08 | O09 | 179.6° | 180.0° |
| C04 | C03 | C08 | C07 | 0.8° | 0.0° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C03 | C04 | C05 | H5 | 179.9° | 180.0° |
| C08 | C03 | C04 | C05 | 0.5° | 0.0° |
| C03 | C08 | O09 | C10 | 100.8° | 180.0° |
| C03 | C08 | O09 | C07 | 178.8° | 180.0° |
| C03 | C08 | C07 | C06 | 0.8° | 0.0° |
| C08 | C03 | C04 | H4 | 179.6° | 180.0° |
| C03 | C08 | C07 | H7 | 179.2° | 180.0° |
| C04 | C05 | C06 | H5 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.1° | 0.0° |
| C04 | C05 | C06 | H6 | 179.9° | 180.0° |
| C11 | C10 | O09 | H8 | 120.0° | 120.0° |
| C11 | C10 | O09 | H9 | 120.0° | 120.0° |
| C11 | C10 | O09 | C08 | 171.4° | 180.0° |
| C11 | C10 | H8 | H9 | 119.9° | 120.0° |
| C10 | C11 | H10 | H11 | 119.0° | 120.0° |
| C10 | C11 | N12 | H23 | 11.5° | 56.0° |
| C10 | O09 | C08 | C07 | 80.5° | 0.0° |
| O09 | C10 | H8 | H9 | 119.9° | 120.0° |
| O09 | C10 | C11 | H10 | 100.2° | 175.0° |
| O09 | C10 | C11 | H11 | 19.2° | 55.0° |
| O09 | C08 | C07 | C06 | 179.6° | 180.0° |
| O09 | C08 | C07 | H7 | 0.4° | 0.0° |
| C08 | O09 | C10 | H8 | 51.3° | 60.0° |
| C08 | O09 | C10 | H9 | 68.6° | 60.0° |
| C08 | C07 | C06 | C05 | 0.5° | 0.0° |
| C08 | C07 | C06 | H7 | 180.0° | 180.0° |
| C08 | C07 | C06 | H6 | 179.5° | 180.0° |
| C05 | C06 | C07 | H6 | 180.0° | 179.9° |
| C06 | C05 | C04 | H4 | 179.9° | 179.9° |
| C05 | C06 | C07 | H7 | 179.5° | 179.9° |
| C07 | C06 | C05 | H5 | 179.9° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H4 | C04 | C05 | H5 | 0.1° | 0.1° |
| H5 | C05 | C06 | H6 | 0.1° | 0.0° |
| H6 | C06 | C07 | H7 | 0.5° | 0.0° |
| H8 | C10 | C11 | H10 | 139.8° | 55.0° |
| H8 | C10 | C11 | H11 | 100.8° | 65.0° |
| H9 | C10 | C11 | H10 | 19.9° | 65.0° |
| H9 | C10 | C11 | H11 | 139.2° | 175.0° |
| H10 | C11 | N12 | H23 | 108.8° | 63.9° |
| H11 | C11 | N12 | H23 | 131.8° | 176.1° |
| H12 | C13 | C14 | H14 | 69.0° | 60.0° |
| H12 | C13 | C14 | H15 | 49.9° | 180.0° |
| H12 | C13 | N12 | H23 | 151.0° | 176.0° |
| H13 | C13 | C14 | H14 | 172.4° | 180.0° |
| H13 | C13 | C14 | H15 | 68.8° | 60.0° |
| H13 | C13 | N12 | H23 | 32.3° | 64.0° |
| H14 | C14 | C15 | H16 | 134.4° | 180.0° |
| H14 | C14 | C15 | H17 | 15.9° | 60.0° |
| H15 | C14 | C15 | H16 | 106.7° | 60.0° |
| H15 | C14 | C15 | H17 | 134.8° | 180.0° |
| H18 | C18 | C19 | H19 | 0.4° | 0.1° |
