4ZZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | C8 | doub | 1.22Å | 1.23Å | |
| C11 | N10 | sing | 1.47Å | 1.45Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C8 | N10 | sing | 1.35Å | 1.34Å | |
| C8 | N7 | sing | 1.35Å | 1.33Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | N21 | sing | 1.32Å | 1.34Å | Aromatic |
| C23 | C18 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | N7 | sing | 1.47Å | 1.42Å | |
| C6 | C4 | sing | 1.51Å | 1.53Å | |
| C13 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| N21 | C20 | doub | 1.32Å | 1.34Å | Aromatic |
| O3 | C4 | sing | 1.34Å | 1.43Å | |
| O3 | C2 | sing | 1.45Å | 1.43Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | O5 | doub | 1.21Å | 1.22Å | |
| C14 | C18 | sing | 1.48Å | 1.54Å | |
| C14 | C15 | doub | 1.39Å | 1.43Å | Aromatic |
| C18 | C19 | doub | 1.40Å | 1.43Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | N24 | sing | 1.40Å | 1.50Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| N7 | H16 | sing | 0.97Å | 1.00Å | |
| N10 | H17 | sing | 0.97Å | 1.00Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| N24 | H19 | sing | 0.97Å | 1.00Å | |
| N24 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | C8 | N10 | 124.9° | 120.0° |
| O9 | C8 | N7 | 121.3° | 120.0° |
| N10 | C11 | C12 | 105.9° | 109.5° |
| C11 | N10 | C8 | 124.2° | 120.0° |
| N10 | C11 | H14 | 110.3° | 109.5° |
| N10 | C11 | H15 | 110.3° | 109.5° |
| C11 | N10 | H17 | 117.9° | 120.0° |
| C11 | C12 | C13 | 120.6° | 119.9° |
| C11 | C12 | C17 | 120.6° | 119.9° |
| C12 | C11 | H14 | 110.3° | 109.5° |
| C12 | C11 | H15 | 110.4° | 109.4° |
| N10 | C8 | N7 | 113.8° | 120.0° |
| C8 | N10 | H17 | 117.9° | 120.0° |
| C8 | N7 | C6 | 123.1° | 120.0° |
| C8 | N7 | H16 | 118.5° | 120.0° |
| C23 | C22 | N21 | 120.8° | 121.0° |
| C22 | C23 | C18 | 121.3° | 119.1° |
| C23 | C22 | H4 | 119.6° | 119.4° |
| C22 | C23 | H18 | 119.3° | 120.5° |
| C22 | N21 | C20 | 121.1° | 122.1° |
| N21 | C22 | H4 | 119.6° | 119.5° |
| C23 | C18 | C14 | 117.5° | 120.9° |
| C23 | C18 | C19 | 115.9° | 118.1° |
| C18 | C23 | H18 | 119.4° | 120.5° |
| C13 | C12 | C17 | 118.8° | 120.1° |
| C12 | C13 | C14 | 123.0° | 119.9° |
| C12 | C13 | H8 | 118.5° | 120.0° |
| C12 | C17 | C16 | 120.0° | 120.2° |
| C12 | C17 | H3 | 120.0° | 119.9° |
| N7 | C6 | C4 | 108.8° | 109.5° |
| N7 | C6 | H12 | 109.7° | 109.5° |
| N7 | C6 | H13 | 109.6° | 109.4° |
| C6 | N7 | H16 | 118.5° | 120.0° |
| C6 | C4 | O3 | 112.8° | 120.0° |
| C6 | C4 | O5 | 122.1° | 120.0° |
| C4 | C6 | H12 | 109.6° | 109.5° |
| C4 | C6 | H13 | 109.6° | 109.5° |
| C13 | C14 | C18 | 120.1° | 120.1° |
| C13 | C14 | C15 | 116.2° | 119.8° |
| C14 | C13 | H8 | 118.5° | 120.1° |
| N21 | C20 | C19 | 121.1° | 120.8° |
| N21 | C20 | H5 | 119.4° | 119.6° |
| C4 | O3 | C2 | 124.5° | 117.0° |
| O3 | C4 | O5 | 125.1° | 120.0° |
| O3 | C2 | C1 | 104.2° | 109.4° |
| O3 | C2 | H6 | 110.8° | 109.5° |
| O3 | C2 | H7 | 110.8° | 109.5° |
| C17 | C16 | C15 | 121.8° | 120.1° |
| C17 | C16 | H2 | 119.1° | 119.9° |
| C16 | C17 | H3 | 120.0° | 119.9° |
| C18 | C14 | C15 | 123.6° | 120.1° |
| C14 | C18 | C19 | 126.5° | 121.0° |
| C14 | C15 | C16 | 120.2° | 119.9° |
| C14 | C15 | H1 | 119.9° | 120.1° |
| C18 | C19 | C20 | 119.7° | 118.9° |
| C18 | C19 | N24 | 126.1° | 120.6° |
| C1 | C2 | H6 | 110.8° | 109.4° |
| C1 | C2 | H7 | 110.7° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.4° |
| C2 | C1 | H11 | 109.5° | 109.4° |
| C16 | C15 | H1 | 119.9° | 120.0° |
| C15 | C16 | H2 | 119.1° | 120.0° |
| C20 | C19 | N24 | 114.2° | 120.5° |
| C19 | C20 | H5 | 119.5° | 119.6° |
| C19 | N24 | H19 | 109.5° | 120.0° |
| C19 | N24 | H20 | 109.4° | 120.0° |
| H6 | C2 | H7 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H11 | 109.4° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H12 | C6 | H13 | 109.5° | 109.4° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H19 | N24 | H20 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | C8 | N10 | C11 | 0.8° | 0.0° |
| O9 | C8 | N10 | N7 | 177.8° | 180.0° |
| O9 | C8 | N7 | C6 | 4.2° | 0.1° |
| O9 | C8 | N7 | H16 | 175.8° | 180.0° |
| O9 | C8 | N10 | H17 | 179.1° | 180.0° |
| N10 | C11 | C12 | H14 | 119.4° | 120.0° |
| N10 | C11 | C12 | H15 | 119.5° | 120.0° |
| C11 | N10 | C8 | H17 | 180.0° | 180.0° |
| C11 | N10 | C8 | N7 | 178.7° | 180.0° |
| N10 | C11 | C12 | C13 | 129.9° | 90.0° |
| N10 | C11 | C12 | C17 | 51.4° | 89.4° |
| N10 | C11 | H14 | H15 | 121.6° | 120.0° |
| C12 | C11 | N10 | C8 | 117.9° | 180.0° |
| C11 | C12 | C13 | C17 | 178.7° | 179.4° |
| C11 | C12 | C13 | C14 | 179.3° | 180.0° |
| C11 | C12 | C17 | C16 | 178.3° | 179.7° |
| C11 | C12 | C17 | H3 | 1.7° | 0.3° |
| C11 | C12 | C13 | H8 | 0.7° | 0.3° |
| C12 | C11 | H14 | H15 | 121.7° | 120.0° |
| C12 | C11 | N10 | H17 | 62.1° | 0.0° |
| N10 | C8 | N7 | C6 | 177.9° | 180.0° |
| C8 | N10 | C11 | H14 | 122.7° | 60.0° |
| C8 | N10 | C11 | H15 | 1.6° | 60.1° |
| N10 | C8 | N7 | H16 | 2.1° | 0.1° |
| C8 | N7 | C6 | H16 | 180.0° | 179.9° |
| C8 | N7 | C6 | C4 | 85.9° | 180.0° |
| C8 | N7 | C6 | H12 | 34.0° | 59.9° |
| C8 | N7 | C6 | H13 | 154.2° | 60.0° |
| N7 | C8 | N10 | H17 | 1.3° | 0.0° |
| C23 | C22 | N21 | H4 | 180.0° | 179.8° |
| C22 | C23 | C18 | H18 | 180.0° | 180.0° |
| C23 | C22 | N21 | C20 | 0.2° | 0.0° |
| C22 | C23 | C18 | C14 | 179.5° | 180.0° |
| C22 | C23 | C18 | C19 | 2.6° | 0.0° |
| N21 | C22 | C23 | C18 | 1.8° | 0.0° |
| C22 | N21 | C20 | C19 | 0.3° | 0.0° |
| C22 | N21 | C20 | H5 | 179.7° | 180.0° |
| N21 | C22 | C23 | H18 | 178.2° | 180.0° |
| C23 | C18 | C14 | C13 | 26.9° | 49.8° |
| C23 | C18 | C14 | C19 | 177.6° | 180.0° |
| C23 | C18 | C14 | C15 | 150.9° | 130.0° |
| C23 | C18 | C19 | C20 | 2.0° | 0.0° |
| C23 | C18 | C19 | N24 | 178.2° | 180.0° |
| C18 | C23 | C22 | H4 | 178.2° | 179.7° |
| C12 | C13 | C14 | H8 | 180.0° | 179.8° |
| C13 | C12 | C17 | C16 | 0.4° | 0.3° |
| C12 | C13 | C14 | C18 | 178.7° | 179.7° |
| C12 | C13 | C14 | C15 | 0.7° | 0.5° |
| C13 | C12 | C17 | H3 | 179.6° | 179.7° |
| C13 | C12 | C11 | H14 | 10.5° | 150.0° |
| C13 | C12 | C11 | H15 | 110.6° | 30.0° |
| C17 | C12 | C13 | C14 | 0.6° | 0.5° |
| C12 | C17 | C16 | H3 | 180.0° | 180.0° |
| C12 | C17 | C16 | C15 | 1.3° | 0.0° |
| C12 | C17 | C16 | H2 | 178.7° | 180.0° |
| C17 | C12 | C13 | H8 | 179.4° | 179.7° |
| C17 | C12 | C11 | H14 | 170.8° | 30.6° |
| C17 | C12 | C11 | H15 | 68.1° | 150.6° |
| N7 | C6 | C4 | H12 | 119.9° | 120.0° |
| N7 | C6 | C4 | H13 | 119.9° | 119.9° |
| N7 | C6 | C4 | O3 | 167.8° | 180.0° |
| N7 | C6 | C4 | O5 | 14.3° | 0.1° |
| N7 | C6 | H12 | H13 | 120.3° | 119.9° |
| C6 | C4 | O3 | O5 | 177.8° | 180.0° |
| C6 | C4 | O3 | C2 | 158.4° | 180.0° |
| C4 | C6 | H12 | H13 | 120.3° | 120.1° |
| C4 | C6 | N7 | H16 | 94.1° | 0.1° |
| C13 | C14 | C18 | C15 | 177.8° | 179.8° |
| C13 | C14 | C18 | C19 | 155.5° | 130.2° |
| C13 | C14 | C15 | C16 | 0.2° | 0.3° |
| C13 | C14 | C15 | H1 | 179.8° | 179.7° |
| N21 | C20 | C19 | C18 | 0.6° | 0.0° |
| N21 | C20 | C19 | H5 | 180.0° | 180.0° |
| N21 | C20 | C19 | N24 | 179.5° | 180.0° |
| C20 | N21 | C22 | H4 | 179.8° | 179.8° |
| C4 | O3 | C2 | C1 | 172.4° | 180.0° |
| C4 | O3 | C2 | H6 | 53.2° | 60.1° |
| C4 | O3 | C2 | H7 | 68.4° | 60.0° |
| O3 | C4 | C6 | H12 | 47.9° | 60.0° |
| O3 | C4 | C6 | H13 | 72.3° | 60.0° |
| C2 | O3 | C4 | O5 | 23.8° | 0.0° |
| O3 | C2 | C1 | H6 | 119.2° | 119.9° |
| O3 | C2 | C1 | H7 | 119.2° | 120.0° |
| O3 | C2 | H6 | H7 | 122.4° | 120.0° |
| O3 | C2 | C1 | H9 | 180.0° | 60.0° |
| O3 | C2 | C1 | H10 | 60.0° | 60.1° |
| O3 | C2 | C1 | H11 | 60.0° | 180.0° |
| C17 | C16 | C15 | C14 | 1.2° | 0.0° |
| C17 | C16 | C15 | H2 | 180.0° | 180.0° |
| C17 | C16 | C15 | H1 | 178.8° | 180.0° |
| O5 | C4 | C6 | H12 | 134.3° | 120.0° |
| O5 | C4 | C6 | H13 | 105.5° | 120.0° |
| C18 | C14 | C15 | C16 | 177.7° | 180.0° |
| C14 | C18 | C19 | C20 | 179.7° | 180.0° |
| C14 | C18 | C19 | N24 | 0.5° | 0.0° |
| C18 | C14 | C15 | H1 | 2.3° | 0.0° |
| C18 | C14 | C13 | H8 | 1.3° | 0.0° |
| C14 | C18 | C23 | H18 | 0.5° | 0.0° |
| C15 | C14 | C18 | C19 | 26.7° | 50.0° |
| C14 | C15 | C16 | H1 | 180.0° | 180.0° |
| C14 | C15 | C16 | H2 | 178.8° | 180.0° |
| C15 | C14 | C13 | H8 | 179.3° | 179.7° |
| C18 | C19 | C20 | N24 | 179.8° | 179.9° |
| C18 | C19 | C20 | H5 | 179.4° | 180.0° |
| C19 | C18 | C23 | H18 | 177.4° | 180.0° |
| C18 | C19 | N24 | H19 | 180.0° | 180.0° |
| C18 | C19 | N24 | H20 | 60.0° | 0.0° |
| C1 | C2 | H6 | H7 | 122.4° | 120.0° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H11 | 120.0° | 120.0° |
| C2 | C1 | H10 | H11 | 120.0° | 119.9° |
| C15 | C16 | C17 | H3 | 178.7° | 180.0° |
| C20 | C19 | N24 | H19 | 0.2° | 0.0° |
| C20 | C19 | N24 | H20 | 120.2° | 180.0° |
| N24 | C19 | C20 | H5 | 0.5° | 0.1° |
| C19 | N24 | H19 | H20 | 120.0° | 180.0° |
| H1 | C15 | C16 | H2 | 1.2° | 0.0° |
| H2 | C16 | C17 | H3 | 1.3° | 0.0° |
| H4 | C22 | C23 | H18 | 1.8° | 0.2° |
| H6 | C2 | C1 | H9 | 60.8° | 59.9° |
| H6 | C2 | C1 | H10 | 179.2° | NaN° |
| H6 | C2 | C1 | H11 | 59.2° | 60.1° |
| H7 | C2 | C1 | H9 | 60.9° | 180.0° |
| H7 | C2 | C1 | H10 | 59.2° | 59.9° |
| H7 | C2 | C1 | H11 | 179.1° | 60.0° |
| H9 | C1 | H10 | H11 | 120.0° | 120.1° |
| H12 | C6 | N7 | H16 | 146.0° | 120.0° |
| H13 | C6 | N7 | H16 | 25.8° | 120.1° |
| H14 | C11 | N10 | H17 | 57.3° | 120.0° |
| H15 | C11 | N10 | H17 | 178.4° | 120.0° |
