Z6P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C12 | sing | 1.35Å | 1.34Å | |
| O | C8 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C8 | N | sing | 1.35Å | 1.35Å | |
| N1 | C16 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C17 | sing | 1.32Å | 1.35Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.49Å | |
| C9 | O1 | sing | 1.43Å | 1.43Å | |
| N2 | C17 | sing | 1.38Å | 1.36Å | |
| C16 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.41Å | 1.50Å | Aromatic |
| C10 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C1 | sing | 1.48Å | 1.49Å | |
| C7 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | N | sing | 1.40Å | 1.37Å | |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.49Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | C20 | sing | 1.47Å | 1.51Å | |
| O2 | C20 | doub | 1.22Å | 1.22Å | |
| C23 | C21 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | N3 | sing | 1.35Å | 1.26Å | |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| N3 | C21 | sing | 1.47Å | 1.45Å | |
| C14 | F | sing | 1.35Å | 1.34Å | |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C6 | sing | 1.51Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C | H17 | sing | 1.08Å | 1.08Å | |
| N | H18 | sing | 0.97Å | 1.00Å | |
| O1 | H19 | sing | 0.97Å | 0.95Å | |
| C11 | H20 | sing | 1.08Å | 1.08Å | |
| C15 | H21 | sing | 1.08Å | 1.08Å | |
| C13 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C12 | C11 | 120.0° | 120.0° |
| F1 | C12 | C13 | 119.5° | 120.0° |
| O | C8 | C9 | 117.7° | 120.0° |
| O | C8 | N | 128.1° | 120.0° |
| C12 | C11 | C10 | 120.6° | 120.0° |
| C11 | C12 | C13 | 120.5° | 120.0° |
| C12 | C11 | H20 | 119.7° | 120.0° |
| C11 | C10 | C9 | 118.3° | 120.0° |
| C11 | C10 | C15 | 119.0° | 120.1° |
| C10 | C11 | H20 | 119.7° | 120.0° |
| C12 | C13 | C14 | 119.3° | 120.0° |
| C12 | C13 | H22 | 120.4° | 120.0° |
| C | C5 | C4 | 121.6° | 120.0° |
| C5 | C | C1 | 121.5° | 120.0° |
| C | C5 | H2 | 119.2° | 120.0° |
| C5 | C | H17 | 119.2° | 120.0° |
| C5 | C4 | N | 123.0° | 119.9° |
| C5 | C4 | C3 | 119.0° | 120.1° |
| C4 | C5 | H2 | 119.2° | 120.0° |
| C | C1 | C7 | 116.3° | 120.0° |
| C | C1 | C2 | 117.7° | 119.9° |
| C1 | C | H17 | 119.3° | 120.0° |
| C9 | C8 | N | 114.2° | 120.1° |
| C8 | C9 | C10 | 110.0° | 109.5° |
| C8 | C9 | O1 | 110.1° | 109.5° |
| C8 | C9 | H6 | 108.2° | 109.5° |
| C8 | N | C4 | 131.2° | 120.1° |
| C8 | N | H18 | 114.4° | 120.0° |
| C16 | N1 | C17 | 121.7° | 121.9° |
| N1 | C16 | C7 | 121.6° | 121.1° |
| N1 | C16 | H16 | 119.2° | 119.5° |
| N1 | C17 | N2 | 117.0° | 119.7° |
| N1 | C17 | C18 | 119.3° | 120.6° |
| C10 | C9 | O1 | 111.2° | 109.4° |
| C9 | C10 | C15 | 122.8° | 119.9° |
| C10 | C9 | H6 | 108.3° | 109.5° |
| O1 | C9 | H6 | 109.0° | 109.5° |
| C9 | O1 | H19 | 109.5° | 114.1° |
| N2 | C17 | C18 | 123.7° | 119.7° |
| C17 | N2 | H14 | 109.5° | 120.0° |
| C17 | N2 | H15 | 109.5° | 120.0° |
| C16 | C7 | C1 | 118.0° | 120.4° |
| C16 | C7 | C19 | 120.4° | 119.3° |
| C7 | C16 | H16 | 119.2° | 119.4° |
| C17 | C18 | C19 | 117.1° | 118.9° |
| C17 | C18 | C20 | 124.4° | 120.6° |
| C10 | C15 | C14 | 120.1° | 120.0° |
| C10 | C15 | H21 | 119.9° | 120.0° |
| C1 | C7 | C19 | 121.6° | 120.4° |
| C7 | C1 | C2 | 126.0° | 120.1° |
| C7 | C19 | C18 | 119.9° | 118.2° |
| C7 | C19 | H13 | 120.1° | 120.9° |
| C13 | C14 | C15 | 120.6° | 120.0° |
| C13 | C14 | F | 118.5° | 120.0° |
| C14 | C13 | H22 | 120.3° | 120.0° |
| N | C4 | C3 | 117.9° | 120.0° |
| C4 | N | H18 | 114.4° | 120.0° |
| C4 | C3 | C2 | 121.5° | 120.1° |
| C4 | C3 | H1 | 119.2° | 119.9° |
| C1 | C2 | C3 | 118.6° | 120.0° |
| C1 | C2 | C6 | 122.5° | 120.0° |
| C19 | C18 | C20 | 118.5° | 120.5° |
| C18 | C19 | H13 | 120.0° | 120.9° |
| C18 | C20 | O2 | 122.1° | 120.0° |
| C18 | C20 | N3 | 118.0° | 120.0° |
| O2 | C20 | N3 | 119.8° | 120.1° |
| C21 | C23 | C22 | 59.7° | 60.0° |
| C23 | C21 | N3 | 111.0° | 117.5° |
| C23 | C21 | C22 | 60.3° | 60.0° |
| C23 | C21 | H8 | 119.0° | 117.6° |
| C21 | C23 | H11 | 120.1° | 117.5° |
| C21 | C23 | H12 | 120.0° | 117.5° |
| C23 | C22 | C21 | 59.9° | 60.0° |
| C23 | C22 | H9 | 120.0° | 117.5° |
| C23 | C22 | H10 | 120.0° | 117.5° |
| C22 | C23 | H11 | 120.0° | 117.4° |
| C22 | C23 | H12 | 120.1° | 117.5° |
| C20 | N3 | C21 | 120.9° | 119.9° |
| C20 | N3 | H7 | 119.6° | 120.1° |
| C15 | C14 | F | 120.9° | 120.0° |
| C14 | C15 | H21 | 120.0° | 120.0° |
| N3 | C21 | C22 | 112.5° | 117.5° |
| C21 | N3 | H7 | 119.5° | 120.0° |
| N3 | C21 | H8 | 120.5° | 115.6° |
| C3 | C2 | C6 | 118.9° | 120.0° |
| C2 | C3 | H1 | 119.2° | 120.0° |
| C2 | C6 | H3 | 109.5° | 109.5° |
| C2 | C6 | H4 | 109.5° | 109.5° |
| C2 | C6 | H5 | 109.5° | 109.5° |
| C22 | C21 | H8 | 119.0° | 117.5° |
| C21 | C22 | H9 | 120.0° | 117.6° |
| C21 | C22 | H10 | 120.0° | 117.5° |
| H3 | C6 | H4 | 109.4° | 109.4° |
| H3 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.5° | 115.5° |
| H11 | C23 | H12 | 109.5° | 115.6° |
| H14 | N2 | H15 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C12 | C11 | C13 | 180.0° | 179.9° |
| F1 | C12 | C11 | C10 | 179.7° | 179.8° |
| F1 | C12 | C13 | C14 | 179.7° | 180.0° |
| F1 | C12 | C11 | H20 | 0.3° | 0.2° |
| F1 | C12 | C13 | H22 | 0.3° | 0.1° |
| O | C8 | C9 | N | 179.9° | 180.0° |
| O | C8 | C9 | C10 | 82.8° | 115.0° |
| O | C8 | C9 | O1 | 154.3° | 5.0° |
| O | C8 | N | C4 | 0.0° | 4.4° |
| O | C8 | C9 | H6 | 35.3° | 125.0° |
| O | C8 | N | H18 | 180.0° | 175.6° |
| C12 | C11 | C10 | H20 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 179.2° | 180.0° |
| C12 | C11 | C10 | C15 | 0.3° | 0.2° |
| C11 | C12 | C13 | C14 | 0.3° | 0.1° |
| C11 | C12 | C13 | H22 | 179.7° | 180.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.1° |
| C11 | C10 | C9 | C8 | 69.3° | 85.3° |
| C11 | C10 | C9 | C15 | 178.9° | 179.8° |
| C11 | C10 | C9 | O1 | 168.5° | 34.7° |
| C11 | C10 | C15 | C14 | 0.4° | 0.1° |
| C11 | C10 | C9 | H6 | 48.7° | 154.7° |
| C11 | C10 | C15 | H21 | 179.6° | 179.7° |
| C12 | C13 | C14 | H22 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.3° | 0.2° |
| C12 | C13 | C14 | F | 180.0° | 179.8° |
| C13 | C12 | C11 | H20 | 179.7° | 179.9° |
| C | C5 | C4 | H2 | 180.0° | 179.5° |
| C5 | C | C1 | H17 | 180.0° | 179.4° |
| C5 | C | C1 | C7 | 179.4° | 179.7° |
| C | C5 | C4 | N | 180.0° | 179.7° |
| C | C5 | C4 | C3 | 0.0° | 0.3° |
| C5 | C | C1 | C2 | 0.1° | 0.6° |
| C4 | C5 | C | C1 | 0.1° | 0.6° |
| C5 | C4 | N | C8 | 0.2° | 35.2° |
| C5 | C4 | N | C3 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C5 | C4 | C3 | H1 | 179.8° | 180.0° |
| C4 | C5 | C | H17 | 180.0° | 180.0° |
| C5 | C4 | N | H18 | 179.8° | 144.8° |
| C | C1 | C7 | C16 | 61.4° | 130.0° |
| C | C1 | C7 | C2 | 179.3° | 179.7° |
| C | C1 | C7 | C19 | 116.6° | 49.7° |
| C | C1 | C2 | C3 | 0.3° | 0.3° |
| C | C1 | C2 | C6 | 179.7° | 179.7° |
| C1 | C | C5 | H2 | 180.0° | 180.0° |
| C8 | C9 | C10 | O1 | 122.3° | 120.0° |
| C8 | C9 | C10 | H6 | 118.0° | 120.0° |
| C8 | C9 | O1 | H6 | 118.5° | 120.0° |
| C8 | C9 | C10 | C15 | 111.9° | 94.9° |
| C9 | C8 | N | C4 | 179.9° | 175.6° |
| C9 | C8 | N | H18 | 0.1° | 4.4° |
| C8 | C9 | O1 | H19 | 180.0° | 60.0° |
| N | C8 | C9 | C10 | 97.4° | 65.0° |
| N | C8 | C9 | O1 | 25.6° | 175.0° |
| C8 | N | C4 | H18 | 180.0° | 179.9° |
| C8 | N | C4 | C3 | 179.9° | 144.8° |
| N | C8 | C9 | H6 | 144.6° | 55.0° |
| C16 | N1 | C17 | N2 | 179.9° | 180.0° |
| N1 | C16 | C7 | H16 | 180.0° | 179.9° |
| C16 | N1 | C17 | C18 | 0.1° | 0.3° |
| N1 | C16 | C7 | C1 | 179.0° | 180.0° |
| N1 | C16 | C7 | C19 | 0.9° | 0.2° |
| N1 | C17 | N2 | C18 | 180.0° | 179.7° |
| C17 | N1 | C16 | C7 | 0.3° | 0.1° |
| N1 | C17 | C18 | C19 | 0.0° | 0.3° |
| N1 | C17 | C18 | C20 | 180.0° | 179.7° |
| N1 | C17 | N2 | H14 | 0.0° | 175.0° |
| N1 | C17 | N2 | H15 | 120.0° | 5.0° |
| C17 | N1 | C16 | H16 | 179.6° | 180.0° |
| C10 | C9 | O1 | H6 | 119.3° | 120.0° |
| C9 | C10 | C15 | C14 | 179.2° | 179.9° |
| C10 | C9 | O1 | H19 | 57.7° | 60.0° |
| C9 | C10 | C11 | H20 | 0.7° | 0.0° |
| C9 | C10 | C15 | H21 | 0.8° | 0.1° |
| O1 | C9 | C10 | C15 | 10.4° | 145.1° |
| N2 | C17 | C18 | C19 | 180.0° | 180.0° |
| N2 | C17 | C18 | C20 | 0.1° | 0.0° |
| C17 | N2 | H14 | H15 | 120.0° | 179.9° |
| C16 | C7 | C1 | C19 | 178.0° | 179.8° |
| C16 | C7 | C1 | C2 | 117.9° | 50.2° |
| C16 | C7 | C19 | C18 | 1.0° | 0.2° |
| C16 | C7 | C19 | H13 | 179.0° | 179.8° |
| C17 | C18 | C19 | C7 | 0.5° | 0.0° |
| C17 | C18 | C19 | C20 | 179.9° | 180.0° |
| C17 | C18 | C20 | O2 | 10.6° | 5.5° |
| C17 | C18 | C20 | N3 | 169.5° | 174.5° |
| C17 | C18 | C19 | H13 | 179.5° | 180.0° |
| C18 | C17 | N2 | H14 | 180.0° | 5.3° |
| C18 | C17 | N2 | H15 | 59.9° | 174.7° |
| C10 | C15 | C14 | C13 | 0.4° | 0.0° |
| C10 | C15 | C14 | H21 | 180.0° | 179.8° |
| C10 | C15 | C14 | F | 179.9° | 180.0° |
| C15 | C10 | C9 | H6 | 130.1° | 25.1° |
| C15 | C10 | C11 | H20 | 179.6° | 179.8° |
| C1 | C7 | C19 | C18 | 179.0° | 180.0° |
| C7 | C1 | C2 | C3 | 179.6° | 180.0° |
| C7 | C1 | C2 | C6 | 0.4° | 0.1° |
| C1 | C7 | C19 | H13 | 1.0° | 0.0° |
| C1 | C7 | C16 | H16 | 1.0° | 0.0° |
| C7 | C1 | C | H17 | 0.5° | 0.3° |
| C19 | C7 | C1 | C2 | 64.1° | 130.0° |
| C7 | C19 | C18 | H13 | 180.0° | 180.0° |
| C7 | C19 | C18 | C20 | 179.4° | 180.0° |
| C19 | C7 | C16 | H16 | 179.0° | 179.8° |
| C13 | C14 | C15 | F | 179.7° | 180.0° |
| C13 | C14 | C15 | H21 | 179.6° | 179.9° |
| N | C4 | C3 | C2 | 179.8° | 180.0° |
| N | C4 | C3 | H1 | 0.2° | 0.1° |
| N | C4 | C5 | H2 | 0.1° | 0.2° |
| C4 | C3 | C2 | C1 | 0.3° | 0.0° |
| C4 | C3 | C2 | H1 | 180.0° | 179.9° |
| C4 | C3 | C2 | C6 | 179.6° | 180.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.7° |
| C3 | C4 | N | H18 | 0.1° | 35.1° |
| C1 | C2 | C3 | C6 | 180.0° | 179.9° |
| C1 | C2 | C3 | H1 | 179.7° | 180.0° |
| C1 | C2 | C6 | H3 | 90.0° | 90.0° |
| C1 | C2 | C6 | H4 | 150.0° | 150.0° |
| C1 | C2 | C6 | H5 | 30.0° | 30.0° |
| C2 | C1 | C | H17 | 179.9° | 180.0° |
| C19 | C18 | C20 | O2 | 169.4° | 174.5° |
| C19 | C18 | C20 | N3 | 10.5° | 5.5° |
| C18 | C20 | O2 | N3 | 179.9° | 180.0° |
| C18 | C20 | N3 | C21 | 179.7° | 180.0° |
| C18 | C20 | N3 | H7 | 0.3° | 0.0° |
| C20 | C18 | C19 | H13 | 0.6° | 0.0° |
| O2 | C20 | N3 | C21 | 0.2° | 0.0° |
| O2 | C20 | N3 | H7 | 179.8° | 180.0° |
| C21 | C23 | C22 | H11 | 109.4° | 107.5° |
| C21 | C23 | C22 | H12 | 109.4° | 107.5° |
| C23 | C21 | N3 | C20 | 107.8° | 136.4° |
| C23 | C21 | N3 | C22 | 65.5° | 68.6° |
| C23 | C21 | N3 | H8 | 145.9° | 145.8° |
| C23 | C21 | C22 | H8 | 108.7° | 107.6° |
| C23 | C21 | N3 | H7 | 72.2° | 43.6° |
| C21 | C23 | C22 | H9 | 109.4° | 107.6° |
| C21 | C23 | C22 | H10 | 109.4° | 107.5° |
| C21 | C23 | H11 | H12 | 144.9° | 145.8° |
| C23 | C22 | H9 | H10 | 144.8° | 145.6° |
| C22 | C23 | H11 | H12 | 144.9° | 145.6° |
| C20 | N3 | C21 | H7 | 180.0° | 180.0° |
| C20 | N3 | C21 | C22 | 173.3° | 155.0° |
| C20 | N3 | C21 | H8 | 38.0° | 9.4° |
| C15 | C14 | C13 | H22 | 179.7° | 179.9° |
| N3 | C21 | C22 | H8 | 149.2° | 145.0° |
| N3 | C21 | C22 | H9 | 148.4° | 0.0° |
| N3 | C21 | C22 | H10 | 7.4° | 145.0° |
| N3 | C21 | C23 | H11 | 145.9° | 145.1° |
| N3 | C21 | C23 | H12 | 4.7° | 0.0° |
| F | C14 | C15 | H21 | 0.1° | 0.1° |
| F | C14 | C13 | H22 | 0.0° | 0.1° |
| C3 | C2 | C6 | H3 | 90.0° | 90.0° |
| C3 | C2 | C6 | H4 | 30.0° | 29.9° |
| C3 | C2 | C6 | H5 | 150.0° | 149.9° |
| C6 | C2 | C3 | H1 | 0.4° | 0.1° |
| C2 | C6 | H3 | H4 | 120.0° | 120.0° |
| C2 | C6 | H3 | H5 | 120.0° | 120.0° |
| C2 | C6 | H4 | H5 | 120.0° | 120.0° |
| C22 | C21 | N3 | H7 | 6.7° | 25.0° |
| C21 | C22 | H9 | H10 | 144.7° | 145.7° |
| H2 | C5 | C | H17 | 0.0° | 0.5° |
| H3 | C6 | H4 | H5 | 120.0° | 120.0° |
| H6 | C9 | O1 | H19 | 61.5° | 180.0° |
| H7 | N3 | C21 | H8 | 142.0° | 170.6° |
| H8 | C21 | C22 | H9 | 0.7° | 145.0° |
| H8 | C21 | C22 | H10 | 141.8° | 0.1° |
| H8 | C21 | C23 | H11 | 0.5° | 0.0° |
| H8 | C21 | C23 | H12 | 141.7° | 145.1° |
| H9 | C22 | C23 | H11 | 0.0° | 145.0° |
| H9 | C22 | C23 | H12 | 141.2° | 0.0° |
| H10 | C22 | C23 | H11 | 141.2° | 0.0° |
| H10 | C22 | C23 | H12 | 0.0° | 145.0° |
