ZU9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C9 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | N | sing | 1.36Å | 1.42Å | |
| C9 | C10 | sing | 1.47Å | 1.45Å | |
| N | C3 | doub | 1.30Å | 1.29Å | |
| O1 | C2 | doub | 1.21Å | 1.20Å | |
| C10 | O3 | doub | 1.22Å | 1.22Å | |
| C10 | N1 | sing | 1.35Å | 1.40Å | |
| C3 | N1 | sing | 1.36Å | 1.40Å | |
| C3 | C | sing | 1.51Å | 1.49Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| N1 | C11 | sing | 1.47Å | 1.46Å | |
| C2 | O | sing | 1.34Å | 1.27Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | O2 | doub | 1.21Å | 1.25Å | |
| C12 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C13 | sing | 1.47Å | 1.47Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| O | H3 | sing | 0.97Å | 0.95Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 120.6° | 120.8° |
| C6 | C7 | C8 | 120.5° | 120.6° |
| C6 | C7 | H5 | 119.8° | 119.7° |
| C7 | C6 | H6 | 119.7° | 119.6° |
| C6 | C5 | C4 | 119.7° | 119.7° |
| C5 | C6 | H6 | 119.7° | 119.6° |
| C6 | C5 | H7 | 120.1° | 120.2° |
| C7 | C8 | C9 | 119.2° | 119.5° |
| C7 | C8 | H4 | 120.4° | 120.3° |
| C8 | C7 | H5 | 119.7° | 119.7° |
| C5 | C4 | C9 | 119.7° | 119.3° |
| C5 | C4 | N | 118.4° | 121.7° |
| C4 | C5 | H7 | 120.1° | 120.1° |
| C8 | C9 | C4 | 120.2° | 120.0° |
| C8 | C9 | C10 | 120.8° | 122.0° |
| C9 | C8 | H4 | 120.4° | 120.2° |
| C9 | C4 | N | 121.9° | 119.0° |
| C4 | C9 | C10 | 119.0° | 118.0° |
| C4 | N | C3 | 118.4° | 121.6° |
| C9 | C10 | O3 | 123.6° | 121.3° |
| C9 | C10 | N1 | 115.5° | 117.4° |
| N | C3 | N1 | 123.3° | 123.3° |
| N | C3 | C | 119.4° | 118.3° |
| O1 | C2 | C1 | 122.4° | 120.0° |
| O1 | C2 | O | 121.4° | 120.0° |
| O3 | C10 | N1 | 120.6° | 121.3° |
| C10 | N1 | C3 | 121.8° | 120.6° |
| C10 | N1 | C11 | 117.0° | 119.7° |
| N1 | C3 | C | 117.2° | 118.3° |
| C3 | N1 | C11 | 121.2° | 119.7° |
| C3 | C | C1 | 113.5° | 109.5° |
| C3 | C | H1 | 108.4° | 109.5° |
| C3 | C | H2 | 108.4° | 109.4° |
| C2 | C1 | C | 117.0° | 109.4° |
| C1 | C2 | O | 116.2° | 120.0° |
| C2 | C1 | H8 | 107.6° | 109.5° |
| C2 | C1 | H9 | 107.6° | 109.5° |
| C1 | C | H1 | 108.5° | 109.5° |
| C1 | C | H2 | 108.5° | 109.5° |
| C | C1 | H8 | 107.6° | 109.4° |
| C | C1 | H9 | 107.5° | 109.5° |
| N1 | C11 | C12 | 109.7° | 109.5° |
| N1 | C11 | H10 | 109.4° | 109.5° |
| N1 | C11 | H11 | 109.4° | 109.5° |
| C2 | O | H3 | 109.5° | 117.0° |
| C11 | C12 | O2 | 120.2° | 120.0° |
| C11 | C12 | N2 | 115.6° | 120.0° |
| C12 | C11 | H10 | 109.4° | 109.5° |
| C12 | C11 | H11 | 109.4° | 109.5° |
| O2 | C12 | N2 | 124.2° | 120.0° |
| C12 | N2 | C13 | 122.0° | 120.0° |
| C12 | N2 | H12 | 119.0° | 120.0° |
| N2 | C13 | C14 | 111.0° | 109.5° |
| C13 | N2 | H12 | 119.0° | 120.0° |
| N2 | C13 | H13 | 109.1° | 109.5° |
| N2 | C13 | H14 | 109.1° | 109.5° |
| C13 | C14 | C15 | 120.6° | 120.0° |
| C13 | C14 | C19 | 120.5° | 120.0° |
| C14 | C13 | H13 | 109.1° | 109.4° |
| C14 | C13 | H14 | 109.1° | 109.5° |
| C15 | C14 | C19 | 118.8° | 119.9° |
| C14 | C15 | C16 | 120.7° | 120.0° |
| C14 | C15 | H19 | 119.7° | 120.0° |
| C14 | C19 | C18 | 120.3° | 120.1° |
| C14 | C19 | H15 | 119.8° | 119.9° |
| C15 | C16 | C17 | 120.3° | 120.0° |
| C15 | C16 | H18 | 119.9° | 120.0° |
| C16 | C15 | H19 | 119.6° | 119.9° |
| C19 | C18 | C17 | 119.9° | 120.0° |
| C18 | C19 | H15 | 119.9° | 120.0° |
| C19 | C18 | H16 | 120.0° | 120.1° |
| C16 | C17 | C18 | 119.9° | 120.0° |
| C16 | C17 | H17 | 120.0° | 120.0° |
| C17 | C16 | H18 | 119.8° | 120.0° |
| C17 | C18 | H16 | 120.0° | 120.0° |
| C18 | C17 | H17 | 120.1° | 120.0° |
| H1 | C | H2 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.4° |
| H13 | C13 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | C7 | C8 | H5 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.5° | 0.0° |
| C6 | C7 | C8 | C9 | 0.3° | 0.1° |
| C6 | C7 | C8 | H4 | 179.7° | 180.0° |
| C7 | C6 | C5 | H7 | 179.5° | 179.9° |
| C5 | C6 | C7 | C8 | 0.8° | 0.1° |
| C6 | C5 | C4 | H7 | 180.0° | 180.0° |
| C6 | C5 | C4 | C9 | 2.3° | 0.1° |
| C6 | C5 | C4 | N | 176.8° | 180.0° |
| C5 | C6 | C7 | H5 | 179.2° | 179.9° |
| C7 | C8 | C9 | H4 | 180.0° | 179.9° |
| C7 | C8 | C9 | C4 | 1.4° | 0.0° |
| C7 | C8 | C9 | C10 | 179.2° | 180.0° |
| C8 | C7 | C6 | H6 | 179.2° | 180.0° |
| C5 | C4 | C9 | C8 | 2.7° | 0.1° |
| C5 | C4 | C9 | N | 179.1° | 179.9° |
| C5 | C4 | C9 | C10 | 179.4° | 180.0° |
| C5 | C4 | N | C3 | 179.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.4° | 179.9° |
| C8 | C9 | C4 | C10 | 177.9° | 179.9° |
| C8 | C9 | C4 | N | 176.3° | 180.0° |
| C8 | C9 | C10 | O3 | 3.0° | 0.0° |
| C8 | C9 | C10 | N1 | 177.0° | 180.0° |
| C9 | C8 | C7 | H5 | 179.6° | 180.0° |
| C9 | C4 | N | C3 | 0.1° | 0.0° |
| C4 | C9 | C10 | O3 | 174.8° | 179.9° |
| C4 | C9 | C10 | N1 | 0.8° | 0.0° |
| C4 | C9 | C8 | H4 | 178.6° | 179.9° |
| C9 | C4 | C5 | H7 | 177.7° | 180.0° |
| N | C4 | C9 | C10 | 1.5° | 0.0° |
| C4 | N | C3 | N1 | 2.4° | 0.0° |
| C4 | N | C3 | C | 173.7° | 180.0° |
| N | C4 | C5 | H7 | 3.2° | 0.0° |
| C9 | C10 | O3 | N1 | 173.8° | 180.0° |
| C9 | C10 | N1 | C3 | 1.4° | 0.0° |
| C9 | C10 | N1 | C11 | 178.9° | 180.0° |
| C10 | C9 | C8 | H4 | 0.8° | 0.1° |
| N | C3 | N1 | C10 | 3.2° | 0.1° |
| N | C3 | N1 | C | 176.3° | 180.0° |
| N | C3 | C | C1 | 1.3° | 0.0° |
| N | C3 | N1 | C11 | 179.4° | 180.0° |
| N | C3 | C | H1 | 121.9° | 120.0° |
| N | C3 | C | H2 | 119.3° | 120.0° |
| O1 | C2 | C1 | O | 178.4° | 180.0° |
| O1 | C2 | C1 | C | 146.9° | 0.0° |
| O1 | C2 | O | H3 | 0.0° | 0.0° |
| O1 | C2 | C1 | H8 | 25.8° | 119.9° |
| O1 | C2 | C1 | H9 | 92.1° | 120.0° |
| O3 | C10 | N1 | C3 | 172.8° | 180.0° |
| O3 | C10 | N1 | C11 | 4.7° | 0.0° |
| C10 | N1 | C3 | C11 | 177.4° | 180.0° |
| C10 | N1 | C3 | C | 173.0° | 180.0° |
| C10 | N1 | C11 | C12 | 81.0° | 90.0° |
| C10 | N1 | C11 | H10 | 39.1° | 149.9° |
| C10 | N1 | C11 | H11 | 159.0° | 30.0° |
| N1 | C3 | C | C1 | 175.1° | 180.0° |
| C3 | N1 | C11 | C12 | 96.5° | 90.0° |
| N1 | C3 | C | H1 | 54.5° | 60.0° |
| N1 | C3 | C | H2 | 64.3° | 60.0° |
| C3 | N1 | C11 | H10 | 143.4° | 30.0° |
| C3 | N1 | C11 | H11 | 23.5° | 150.0° |
| C3 | C | C1 | C2 | 63.2° | 180.0° |
| C3 | C | C1 | H1 | 120.6° | 120.0° |
| C3 | C | C1 | H2 | 120.6° | 120.0° |
| C | C3 | N1 | C11 | 4.4° | 0.0° |
| C3 | C | H1 | H2 | 118.1° | 120.0° |
| C3 | C | C1 | H8 | 57.8° | 60.0° |
| C3 | C | C1 | H9 | 175.7° | 60.0° |
| C2 | C1 | C | H8 | 121.0° | 120.0° |
| C2 | C1 | C | H9 | 121.1° | 120.0° |
| C2 | C1 | C | H1 | 57.3° | 60.0° |
| C2 | C1 | C | H2 | 176.2° | 60.0° |
| C1 | C2 | O | H3 | 178.5° | 180.0° |
| C2 | C1 | H8 | H9 | 116.6° | 120.1° |
| C | C1 | C2 | O | 31.6° | 180.0° |
| C1 | C | H1 | H2 | 118.2° | 120.0° |
| C | C1 | H8 | H9 | 116.6° | 120.0° |
| N1 | C11 | C12 | H10 | 120.0° | 120.0° |
| N1 | C11 | C12 | H11 | 120.0° | 120.0° |
| N1 | C11 | C12 | O2 | 23.1° | 0.0° |
| N1 | C11 | C12 | N2 | 156.8° | 180.0° |
| N1 | C11 | H10 | H11 | 119.9° | 120.0° |
| O | C2 | C1 | H8 | 152.6° | 60.1° |
| O | C2 | C1 | H9 | 89.5° | 60.0° |
| C11 | C12 | O2 | N2 | 180.0° | 180.0° |
| C11 | C12 | N2 | C13 | 173.9° | 180.0° |
| C12 | C11 | H10 | H11 | 119.9° | 120.0° |
| C11 | C12 | N2 | H12 | 6.1° | 0.0° |
| O2 | C12 | N2 | C13 | 6.2° | 0.0° |
| O2 | C12 | C11 | H10 | 143.2° | 120.0° |
| O2 | C12 | C11 | H11 | 96.9° | 120.0° |
| O2 | C12 | N2 | H12 | 173.9° | 180.0° |
| C12 | N2 | C13 | H12 | 180.0° | 180.0° |
| C12 | N2 | C13 | C14 | 83.9° | 179.9° |
| N2 | C12 | C11 | H10 | 36.8° | 59.9° |
| N2 | C12 | C11 | H11 | 83.1° | 60.0° |
| C12 | N2 | C13 | H13 | 36.3° | 60.0° |
| C12 | N2 | C13 | H14 | 155.9° | 60.0° |
| N2 | C13 | C14 | H13 | 120.2° | 120.0° |
| N2 | C13 | C14 | H14 | 120.2° | 120.0° |
| N2 | C13 | C14 | C15 | 58.8° | 90.0° |
| N2 | C13 | C14 | C19 | 118.0° | 89.7° |
| N2 | C13 | H13 | H14 | 119.3° | 120.0° |
| C13 | C14 | C15 | C19 | 176.8° | 179.7° |
| C13 | C14 | C15 | C16 | 178.6° | 179.8° |
| C13 | C14 | C19 | C18 | 178.7° | 180.0° |
| C14 | C13 | N2 | H12 | 96.1° | 0.0° |
| C14 | C13 | H13 | H14 | 119.3° | 120.0° |
| C13 | C14 | C19 | H15 | 1.3° | 0.0° |
| C13 | C14 | C15 | H19 | 1.4° | 0.0° |
| C14 | C15 | C16 | H19 | 180.0° | 179.7° |
| C15 | C14 | C19 | C18 | 1.9° | 0.3° |
| C14 | C15 | C16 | C17 | 0.1° | 0.5° |
| C15 | C14 | C13 | H13 | 179.0° | 30.0° |
| C15 | C14 | C13 | H14 | 61.5° | 150.0° |
| C15 | C14 | C19 | H15 | 178.1° | 179.8° |
| C14 | C15 | C16 | H18 | 179.9° | 179.8° |
| C19 | C14 | C15 | C16 | 1.7° | 0.5° |
| C14 | C19 | C18 | H15 | 180.0° | 180.0° |
| C14 | C19 | C18 | C17 | 0.5° | 0.0° |
| C19 | C14 | C13 | H13 | 2.2° | 150.3° |
| C19 | C14 | C13 | H14 | 121.7° | 30.3° |
| C14 | C19 | C18 | H16 | 179.5° | 180.0° |
| C19 | C14 | C15 | H19 | 178.3° | 179.7° |
| C15 | C16 | C17 | H18 | 180.0° | 179.8° |
| C15 | C16 | C17 | C18 | 1.4° | 0.2° |
| C15 | C16 | C17 | H17 | 178.6° | 179.7° |
| C19 | C18 | C17 | C16 | 1.2° | 0.0° |
| C19 | C18 | C17 | H16 | 180.0° | 180.0° |
| C19 | C18 | C17 | H17 | 178.8° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | H16 | 178.8° | 180.0° |
| C17 | C16 | C15 | H19 | 179.9° | 179.8° |
| C17 | C18 | C19 | H15 | 179.6° | 180.0° |
| C18 | C17 | C16 | H18 | 178.6° | 180.0° |
| H1 | C | C1 | H8 | 178.4° | 180.0° |
| H1 | C | C1 | H9 | 63.7° | 60.0° |
| H2 | C | C1 | H8 | 62.8° | 59.9° |
| H2 | C | C1 | H9 | 55.1° | 180.0° |
| H4 | C8 | C7 | H5 | 0.3° | 0.1° |
| H5 | C7 | C6 | H6 | 0.8° | 0.0° |
| H6 | C6 | C5 | H7 | 0.6° | 0.0° |
| H12 | N2 | C13 | H13 | 143.7° | 120.0° |
| H12 | N2 | C13 | H14 | 24.1° | 120.0° |
| H15 | C19 | C18 | H16 | 0.4° | 0.0° |
| H16 | C18 | C17 | H17 | 1.2° | 0.0° |
| H17 | C17 | C16 | H18 | 1.4° | 0.0° |
| H18 | C16 | C15 | H19 | 0.1° | 0.0° |
