2F0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C12 | sing | 1.51Å | 1.48Å | |
| C1 | C3 | sing | 1.53Å | 1.51Å | |
| C1 | N1 | sing | 1.47Å | 1.43Å | |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
| N1 | C4 | sing | 1.35Å | 1.31Å | |
| C16 | C18 | sing | 1.48Å | 1.48Å | |
| C18 | N4 | doub | 1.29Å | 1.24Å | |
| C18 | C19 | sing | 1.51Å | 1.49Å | |
| N4 | O2 | sing | 1.42Å | 1.38Å | |
| C4 | O | doub | 1.22Å | 1.20Å | |
| C4 | N2 | sing | 1.35Å | 1.32Å | |
| N2 | C5 | sing | 1.40Å | 1.39Å | |
| C5 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.37Å | Aromatic |
| C7 | C11 | sing | 1.48Å | 1.49Å | |
| C8 | CL1 | sing | 1.74Å | 1.77Å | |
| N3 | C11 | sing | 1.35Å | 1.31Å | |
| C11 | O1 | doub | 1.22Å | 1.20Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C13 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C12 | 107.8° | 109.5° |
| C2 | C1 | C3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 107.4° | 109.5° |
| C1 | C2 | H8 | 109.5° | 109.5° |
| C1 | C2 | H9 | 109.5° | 109.5° |
| C1 | C2 | H10 | 109.4° | 109.5° |
| C14 | C13 | C12 | 120.2° | 120.3° |
| C13 | C14 | C15 | 120.0° | 120.2° |
| C13 | C14 | H20 | 120.0° | 119.9° |
| C14 | C13 | H21 | 119.9° | 119.9° |
| C13 | C12 | C1 | 120.7° | 119.9° |
| C13 | C12 | C17 | 120.0° | 120.1° |
| C12 | C13 | H21 | 119.9° | 119.8° |
| C12 | C1 | C3 | 111.1° | 109.5° |
| C12 | C1 | N1 | 111.8° | 109.5° |
| C1 | C12 | C17 | 119.3° | 119.9° |
| C3 | C1 | N1 | 109.2° | 109.5° |
| C1 | C3 | H11 | 109.5° | 109.5° |
| C1 | C3 | H12 | 109.4° | 109.5° |
| C1 | C3 | H13 | 109.5° | 109.5° |
| C1 | N1 | C4 | 124.4° | 120.0° |
| C1 | N1 | H7 | 117.8° | 120.0° |
| C14 | C15 | C16 | 119.1° | 119.9° |
| C14 | C15 | H19 | 120.4° | 120.1° |
| C15 | C14 | H20 | 120.0° | 119.9° |
| C12 | C17 | C16 | 119.7° | 119.9° |
| C12 | C17 | H14 | 120.1° | 120.0° |
| C15 | C16 | C17 | 121.0° | 119.6° |
| C15 | C16 | C18 | 121.3° | 120.2° |
| C16 | C15 | H19 | 120.4° | 120.0° |
| C17 | C16 | C18 | 117.7° | 120.2° |
| C16 | C17 | H14 | 120.1° | 120.1° |
| N1 | C4 | O | 122.1° | 120.0° |
| N1 | C4 | N2 | 114.5° | 120.0° |
| C4 | N1 | H7 | 117.8° | 120.0° |
| C16 | C18 | N4 | 119.3° | 120.0° |
| C16 | C18 | C19 | 122.8° | 120.0° |
| N4 | C18 | C19 | 117.9° | 120.0° |
| C18 | N4 | O2 | 119.1° | 120.0° |
| C18 | C19 | H16 | 109.5° | 109.4° |
| C18 | C19 | H17 | 109.5° | 109.5° |
| C18 | C19 | H18 | 109.4° | 109.5° |
| N4 | O2 | H15 | 109.5° | 114.1° |
| O | C4 | N2 | 123.3° | 120.0° |
| C4 | N2 | C5 | 126.2° | 120.0° |
| C4 | N2 | H6 | 116.9° | 120.1° |
| N2 | C5 | C10 | 117.2° | 120.0° |
| N2 | C5 | C6 | 122.4° | 120.0° |
| C5 | N2 | H6 | 116.9° | 120.0° |
| C10 | C5 | C6 | 120.4° | 120.0° |
| C5 | C10 | C9 | 120.0° | 120.2° |
| C5 | C10 | H5 | 120.0° | 119.9° |
| C5 | C6 | C7 | 119.6° | 119.8° |
| C5 | C6 | H3 | 120.2° | 120.1° |
| C10 | C9 | C8 | 119.5° | 120.2° |
| C10 | C9 | H4 | 120.2° | 119.9° |
| C9 | C10 | H5 | 120.0° | 119.9° |
| C6 | C7 | C8 | 119.4° | 119.7° |
| C6 | C7 | C11 | 120.2° | 120.1° |
| C7 | C6 | H3 | 120.2° | 120.1° |
| C9 | C8 | C7 | 121.0° | 119.9° |
| C9 | C8 | CL1 | 118.6° | 120.0° |
| C8 | C9 | H4 | 120.2° | 119.9° |
| C8 | C7 | C11 | 120.4° | 120.1° |
| C7 | C8 | CL1 | 120.4° | 120.0° |
| C7 | C11 | N3 | 119.0° | 120.0° |
| C7 | C11 | O1 | 120.4° | 120.0° |
| N3 | C11 | O1 | 120.6° | 120.0° |
| C11 | N3 | H1 | 120.0° | 119.9° |
| C11 | N3 | H2 | 120.0° | 120.0° |
| H1 | N3 | H2 | 120.0° | 120.0° |
| H8 | C2 | H9 | 109.5° | 109.5° |
| H8 | C2 | H10 | 109.5° | 109.5° |
| H9 | C2 | H10 | 109.5° | 109.5° |
| H11 | C3 | H12 | 109.5° | 109.5° |
| H11 | C3 | H13 | 109.4° | 109.5° |
| H12 | C3 | H13 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.4° |
| H16 | C19 | H18 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C12 | C13 | 80.5° | 144.9° |
| C2 | C1 | C12 | C3 | 120.0° | 120.0° |
| C2 | C1 | C12 | N1 | 117.8° | 120.0° |
| C2 | C1 | C3 | N1 | 117.3° | 120.0° |
| C2 | C1 | C12 | C17 | 99.0° | 35.3° |
| C2 | C1 | N1 | C4 | 154.2° | 61.2° |
| C2 | C1 | N1 | H7 | 25.8° | 118.8° |
| C1 | C2 | H8 | H9 | 120.0° | 120.0° |
| C1 | C2 | H8 | H10 | 120.0° | 120.0° |
| C1 | C2 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | C3 | H11 | 180.0° | 60.0° |
| C2 | C1 | C3 | H12 | 60.0° | 60.0° |
| C2 | C1 | C3 | H13 | 60.0° | 180.0° |
| C14 | C13 | C12 | H21 | 180.0° | 179.4° |
| C14 | C13 | C12 | C1 | 180.0° | 179.7° |
| C13 | C14 | C15 | H20 | 180.0° | 179.8° |
| C14 | C13 | C12 | C17 | 0.5° | 0.5° |
| C13 | C14 | C15 | C16 | 0.3° | 0.2° |
| C13 | C14 | C15 | H19 | 179.7° | 179.8° |
| C13 | C12 | C1 | C17 | 179.5° | 179.8° |
| C13 | C12 | C1 | C3 | 39.5° | 95.1° |
| C13 | C12 | C1 | N1 | 161.8° | 24.9° |
| C12 | C13 | C14 | C15 | 0.3° | 0.5° |
| C13 | C12 | C17 | C16 | 0.2° | 0.2° |
| C13 | C12 | C17 | H14 | 179.8° | 179.8° |
| C12 | C13 | C14 | H20 | 179.7° | 179.7° |
| C12 | C1 | C3 | N1 | 123.7° | 120.0° |
| C1 | C12 | C17 | C16 | 179.6° | 180.0° |
| C12 | C1 | N1 | C4 | 87.8° | 178.8° |
| C12 | C1 | N1 | H7 | 92.2° | 1.2° |
| C12 | C1 | C2 | H8 | 180.0° | 60.0° |
| C12 | C1 | C2 | H9 | 60.0° | 180.0° |
| C12 | C1 | C2 | H10 | 60.0° | 60.0° |
| C12 | C1 | C3 | H11 | 61.0° | 60.0° |
| C12 | C1 | C3 | H12 | 178.9° | 180.0° |
| C12 | C1 | C3 | H13 | 58.9° | 60.0° |
| C1 | C12 | C17 | H14 | 0.4° | 0.0° |
| C1 | C12 | C13 | H21 | 0.0° | 0.3° |
| C3 | C1 | C12 | C17 | 141.0° | 84.7° |
| C3 | C1 | N1 | C4 | 35.6° | 58.8° |
| C3 | C1 | N1 | H7 | 144.4° | 121.2° |
| C3 | C1 | C2 | H8 | 59.0° | 180.0° |
| C3 | C1 | C2 | H9 | 179.0° | 60.0° |
| C3 | C1 | C2 | H10 | 61.0° | 60.0° |
| C1 | C3 | H11 | H12 | 120.0° | 120.0° |
| C1 | C3 | H11 | H13 | 120.0° | 120.0° |
| C1 | C3 | H12 | H13 | 120.0° | 120.0° |
| N1 | C1 | C12 | C17 | 18.8° | 155.3° |
| C1 | N1 | C4 | H7 | 180.0° | 179.9° |
| C1 | N1 | C4 | O | 1.5° | 0.1° |
| C1 | N1 | C4 | N2 | 178.9° | 180.0° |
| N1 | C1 | C2 | H8 | 59.4° | 60.0° |
| N1 | C1 | C2 | H9 | 60.6° | 60.0° |
| N1 | C1 | C2 | H10 | 179.4° | 180.0° |
| N1 | C1 | C3 | H11 | 62.7° | 180.0° |
| N1 | C1 | C3 | H12 | 57.3° | 60.0° |
| N1 | C1 | C3 | H13 | 177.3° | 60.0° |
| C14 | C15 | C16 | H19 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.7° | 0.1° |
| C14 | C15 | C16 | C18 | 179.9° | 180.0° |
| C15 | C14 | C13 | H21 | 179.7° | 179.9° |
| C12 | C17 | C16 | C15 | 0.4° | 0.1° |
| C12 | C17 | C16 | H14 | 180.0° | 180.0° |
| C12 | C17 | C16 | C18 | 179.7° | 180.0° |
| C17 | C12 | C13 | H21 | 179.5° | 179.9° |
| C15 | C16 | C17 | C18 | 179.2° | 180.0° |
| C15 | C16 | C18 | N4 | 169.2° | 180.0° |
| C15 | C16 | C18 | C19 | 11.3° | 0.0° |
| C15 | C16 | C17 | H14 | 179.6° | 180.0° |
| C16 | C15 | C14 | H20 | 179.7° | 180.0° |
| C17 | C16 | C18 | N4 | 11.6° | 0.0° |
| C17 | C16 | C18 | C19 | 167.9° | 180.0° |
| C17 | C16 | C15 | H19 | 179.3° | 179.9° |
| N1 | C4 | O | N2 | 179.6° | 179.9° |
| N1 | C4 | N2 | C5 | 179.4° | 174.8° |
| N1 | C4 | N2 | H6 | 0.5° | 5.3° |
| C16 | C18 | N4 | C19 | 179.6° | 180.0° |
| C16 | C18 | N4 | O2 | 179.4° | 180.0° |
| C18 | C16 | C17 | H14 | 0.3° | 0.0° |
| C16 | C18 | C19 | H16 | 180.0° | 90.1° |
| C16 | C18 | C19 | H17 | 60.0° | 150.0° |
| C16 | C18 | C19 | H18 | 60.0° | 29.9° |
| C18 | C16 | C15 | H19 | 0.1° | 0.0° |
| C18 | N4 | O2 | H15 | 180.0° | 179.9° |
| N4 | C18 | C19 | H16 | 0.4° | 90.0° |
| N4 | C18 | C19 | H17 | 119.6° | 29.9° |
| N4 | C18 | C19 | H18 | 120.5° | 150.0° |
| C19 | C18 | N4 | O2 | 0.2° | 0.0° |
| C18 | C19 | H16 | H17 | 120.0° | 120.0° |
| C18 | C19 | H16 | H18 | 120.0° | 120.0° |
| C18 | C19 | H17 | H18 | 120.0° | 120.1° |
| O | C4 | N2 | C5 | 0.9° | 5.1° |
| O | C4 | N2 | H6 | 179.1° | 174.8° |
| O | C4 | N1 | H7 | 178.6° | 180.0° |
| C4 | N2 | C5 | H6 | 180.0° | 179.9° |
| C4 | N2 | C5 | C10 | 171.0° | 33.3° |
| C4 | N2 | C5 | C6 | 7.9° | 146.0° |
| N2 | C4 | N1 | H7 | 1.1° | 0.1° |
| N2 | C5 | C10 | C6 | 178.9° | 179.3° |
| N2 | C5 | C10 | C9 | 179.2° | 180.0° |
| N2 | C5 | C6 | C7 | 179.4° | 179.8° |
| N2 | C5 | C6 | H3 | 0.6° | 0.2° |
| N2 | C5 | C10 | H5 | 0.7° | 0.5° |
| C5 | C10 | C9 | H5 | 180.0° | 179.5° |
| C10 | C5 | C6 | C7 | 0.6° | 0.5° |
| C5 | C10 | C9 | C8 | 0.1° | 0.5° |
| C10 | C5 | C6 | H3 | 179.4° | 179.5° |
| C5 | C10 | C9 | H4 | 179.9° | 179.5° |
| C10 | C5 | N2 | H6 | 9.0° | 146.8° |
| C6 | C5 | C10 | C9 | 0.3° | 0.7° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.4° | 0.0° |
| C5 | C6 | C7 | C11 | 180.0° | 179.7° |
| C6 | C5 | C10 | H5 | 179.6° | 179.8° |
| C6 | C5 | N2 | H6 | 172.1° | 33.9° |
| C10 | C9 | C8 | H4 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.3° | 0.0° |
| C10 | C9 | C8 | CL1 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.3° |
| C6 | C7 | C8 | C11 | 179.6° | 179.7° |
| C6 | C7 | C8 | CL1 | 179.7° | 179.8° |
| C6 | C7 | C11 | N3 | 41.0° | 0.0° |
| C6 | C7 | C11 | O1 | 139.1° | 179.7° |
| C9 | C8 | C7 | CL1 | 179.6° | 179.9° |
| C9 | C8 | C7 | C11 | 179.5° | 180.0° |
| C8 | C9 | C10 | H5 | 179.9° | 179.9° |
| C8 | C7 | C11 | N3 | 138.6° | 179.7° |
| C8 | C7 | C11 | O1 | 41.2° | 0.0° |
| C8 | C7 | C6 | H3 | 179.6° | 180.0° |
| C7 | C8 | C9 | H4 | 179.6° | 180.0° |
| C11 | C7 | C8 | CL1 | 0.1° | 0.1° |
| C7 | C11 | N3 | O1 | 179.9° | 179.7° |
| C7 | C11 | N3 | H1 | 179.9° | 179.7° |
| C7 | C11 | N3 | H2 | 0.2° | 0.3° |
| C11 | C7 | C6 | H3 | 0.0° | 0.3° |
| CL1 | C8 | C9 | H4 | 0.0° | 0.1° |
| C11 | N3 | H1 | H2 | 179.9° | 180.0° |
| O1 | C11 | N3 | H1 | 0.0° | 0.0° |
| O1 | C11 | N3 | H2 | 180.0° | 180.0° |
| H4 | C9 | C10 | H5 | 0.1° | 0.0° |
| H8 | C2 | H9 | H10 | 120.0° | 120.0° |
| H11 | C3 | H12 | H13 | 120.0° | 120.0° |
| H16 | C19 | H17 | H18 | 120.0° | 120.0° |
| H19 | C15 | C14 | H20 | 0.3° | 0.0° |
| H20 | C14 | C13 | H21 | 0.3° | 0.3° |
