EN2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F22 | C21 | sing | 1.35Å | 1.37Å | |
| C20 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C16 | sing | 1.48Å | 1.54Å | |
| C16 | O17 | doub | 1.22Å | 1.19Å | |
| C16 | N15 | sing | 1.35Å | 1.46Å | |
| C14 | N15 | sing | 1.46Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C06 | C05 | doub | 1.36Å | 1.49Å | |
| C06 | C07 | sing | 1.41Å | 1.53Å | |
| C05 | C04 | sing | 1.42Å | 1.49Å | |
| O08 | C07 | doub | 1.22Å | 1.18Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C07 | N02 | sing | 1.35Å | 1.48Å | |
| N11 | C12 | sing | 1.47Å | 1.45Å | |
| N11 | C09 | sing | 1.35Å | 1.46Å | |
| C04 | C09 | sing | 1.47Å | 1.52Å | |
| C04 | C03 | doub | 1.38Å | 1.52Å | |
| N02 | C03 | sing | 1.35Å | 1.48Å | |
| N02 | C01 | sing | 1.47Å | 1.45Å | |
| C09 | O10 | doub | 1.22Å | 1.18Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| N11 | H17 | sing | 0.97Å | 1.00Å | |
| N15 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F22 | C21 | C20 | 119.4° | 119.8° |
| F22 | C21 | C23 | 120.9° | 119.9° |
| C21 | C20 | C19 | 120.4° | 120.1° |
| C20 | C21 | C23 | 119.6° | 120.2° |
| C21 | C20 | H14 | 119.8° | 120.0° |
| C20 | C19 | C18 | 120.6° | 119.9° |
| C20 | C19 | H13 | 119.7° | 120.0° |
| C19 | C20 | H14 | 119.8° | 120.0° |
| C21 | C23 | C24 | 119.7° | 120.1° |
| C21 | C23 | H15 | 120.1° | 119.9° |
| C19 | C18 | C24 | 118.6° | 119.7° |
| C19 | C18 | C16 | 122.9° | 120.1° |
| C18 | C19 | H13 | 119.7° | 120.0° |
| C23 | C24 | C18 | 120.9° | 119.9° |
| C24 | C23 | H15 | 120.1° | 119.9° |
| C23 | C24 | H16 | 119.6° | 120.0° |
| C24 | C18 | C16 | 118.4° | 120.2° |
| C18 | C24 | H16 | 119.5° | 120.1° |
| C18 | C16 | O17 | 117.6° | 119.9° |
| C18 | C16 | N15 | 125.7° | 120.0° |
| O17 | C16 | N15 | 116.8° | 120.0° |
| C16 | N15 | C14 | 126.3° | 120.0° |
| C16 | N15 | H18 | 116.9° | 120.0° |
| N15 | C14 | C13 | 108.3° | 109.5° |
| N15 | C14 | H11 | 109.8° | 109.5° |
| N15 | C14 | H12 | 109.8° | 109.5° |
| C14 | N15 | H18 | 116.9° | 120.0° |
| C14 | C13 | C12 | 113.7° | 109.5° |
| C14 | C13 | H9 | 108.4° | 109.5° |
| C14 | C13 | H10 | 108.4° | 109.5° |
| C13 | C14 | H11 | 109.8° | 109.4° |
| C13 | C14 | H12 | 109.8° | 109.5° |
| C05 | C06 | C07 | 120.0° | 119.5° |
| C06 | C05 | C04 | 119.6° | 119.0° |
| C06 | C05 | H5 | 120.2° | 120.5° |
| C05 | C06 | H6 | 120.0° | 120.3° |
| C06 | C07 | O08 | 120.3° | 119.8° |
| C06 | C07 | N02 | 120.0° | 120.5° |
| C07 | C06 | H6 | 120.0° | 120.2° |
| C05 | C04 | C09 | 120.6° | 120.3° |
| C05 | C04 | C03 | 120.3° | 119.5° |
| C04 | C05 | H5 | 120.2° | 120.5° |
| O08 | C07 | N02 | 119.7° | 119.8° |
| C13 | C12 | N11 | 111.2° | 109.5° |
| C13 | C12 | H7 | 109.0° | 109.5° |
| C13 | C12 | H8 | 109.1° | 109.5° |
| C12 | C13 | H9 | 108.4° | 109.4° |
| C12 | C13 | H10 | 108.4° | 109.5° |
| C07 | N02 | C03 | 120.3° | 121.1° |
| C07 | N02 | C01 | 120.1° | 119.5° |
| C12 | N11 | C09 | 121.4° | 120.0° |
| N11 | C12 | H7 | 109.1° | 109.4° |
| N11 | C12 | H8 | 109.0° | 109.4° |
| C12 | N11 | H17 | 119.3° | 120.0° |
| N11 | C09 | C04 | 120.3° | 120.0° |
| N11 | C09 | O10 | 121.4° | 120.0° |
| C09 | N11 | H17 | 119.3° | 120.0° |
| C09 | C04 | C03 | 119.1° | 120.2° |
| C04 | C09 | O10 | 118.4° | 120.0° |
| C04 | C03 | N02 | 119.9° | 120.4° |
| C04 | C03 | H4 | 120.1° | 119.8° |
| C03 | N02 | C01 | 119.6° | 119.4° |
| N02 | C03 | H4 | 120.0° | 119.8° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.4° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.4° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.4° |
| H11 | C14 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F22 | C21 | C20 | C23 | 179.9° | 180.0° |
| F22 | C21 | C20 | C19 | 179.8° | 180.0° |
| F22 | C21 | C23 | C24 | 180.0° | 180.0° |
| F22 | C21 | C20 | H14 | 0.1° | 0.1° |
| F22 | C21 | C23 | H15 | 0.0° | 0.0° |
| C21 | C20 | C19 | H14 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 0.8° | 0.0° |
| C20 | C21 | C23 | C24 | 0.1° | 0.0° |
| C21 | C20 | C19 | H13 | 179.2° | 179.9° |
| C20 | C21 | C23 | H15 | 179.9° | 180.0° |
| C19 | C20 | C21 | C23 | 0.3° | 0.0° |
| C20 | C19 | C18 | H13 | 180.0° | 180.0° |
| C20 | C19 | C18 | C24 | 1.1° | 0.0° |
| C20 | C19 | C18 | C16 | 179.6° | 179.7° |
| C21 | C23 | C24 | H15 | 180.0° | 180.0° |
| C21 | C23 | C24 | C18 | 0.5° | 0.0° |
| C23 | C21 | C20 | H14 | 179.7° | 179.9° |
| C21 | C23 | C24 | H16 | 179.5° | 179.7° |
| C19 | C18 | C24 | C23 | 0.9° | 0.0° |
| C19 | C18 | C24 | C16 | 178.6° | 179.7° |
| C19 | C18 | C16 | O17 | 151.0° | 179.7° |
| C19 | C18 | C16 | N15 | 29.2° | 0.3° |
| C18 | C19 | C20 | H14 | 179.2° | 179.9° |
| C19 | C18 | C24 | H16 | 179.1° | 179.7° |
| C23 | C24 | C18 | H16 | 180.0° | 179.8° |
| C23 | C24 | C18 | C16 | 179.5° | 179.7° |
| C24 | C18 | C16 | O17 | 27.6° | 0.1° |
| C24 | C18 | C16 | N15 | 152.3° | 180.0° |
| C24 | C18 | C19 | H13 | 178.9° | 180.0° |
| C18 | C24 | C23 | H15 | 179.5° | 180.0° |
| C18 | C16 | O17 | N15 | 179.8° | 179.9° |
| C18 | C16 | N15 | C14 | 0.3° | 180.0° |
| C16 | C18 | C19 | H13 | 0.4° | 0.3° |
| C16 | C18 | C24 | H16 | 0.4° | 0.1° |
| C18 | C16 | N15 | H18 | 179.7° | 0.0° |
| O17 | C16 | N15 | C14 | 179.5° | 0.1° |
| O17 | C16 | N15 | H18 | 0.5° | 180.0° |
| C16 | N15 | C14 | H18 | 180.0° | 180.0° |
| C16 | N15 | C14 | C13 | 131.0° | 180.0° |
| C16 | N15 | C14 | H11 | 109.2° | 59.9° |
| C16 | N15 | C14 | H12 | 11.1° | 60.0° |
| N15 | C14 | C13 | H11 | 119.8° | 120.1° |
| N15 | C14 | C13 | H12 | 119.8° | 120.0° |
| N15 | C14 | C13 | C12 | 117.8° | 180.0° |
| N15 | C14 | C13 | H9 | 2.8° | 60.0° |
| N15 | C14 | C13 | H10 | 121.5° | 60.0° |
| N15 | C14 | H11 | H12 | 120.6° | 120.0° |
| C14 | C13 | C12 | H9 | 120.6° | 120.0° |
| C14 | C13 | C12 | H10 | 120.6° | 120.1° |
| C14 | C13 | C12 | N11 | 95.4° | 180.0° |
| C14 | C13 | C12 | H7 | 24.9° | 60.0° |
| C14 | C13 | C12 | H8 | 144.3° | 60.1° |
| C14 | C13 | H9 | H10 | 118.0° | 120.0° |
| C13 | C14 | H11 | H12 | 120.5° | 119.9° |
| C13 | C14 | N15 | H18 | 49.0° | 0.0° |
| C05 | C06 | C07 | H6 | 180.0° | 180.0° |
| C06 | C05 | C04 | H5 | 180.0° | 179.9° |
| C05 | C06 | C07 | O08 | 179.8° | 180.0° |
| C05 | C06 | C07 | N02 | 0.0° | 0.2° |
| C06 | C05 | C04 | C09 | 179.8° | 180.0° |
| C06 | C05 | C04 | C03 | 0.3° | 0.0° |
| C07 | C06 | C05 | C04 | 0.2° | 0.0° |
| C06 | C07 | O08 | N02 | 179.9° | 179.8° |
| C06 | C07 | N02 | C03 | 0.0° | 0.5° |
| C06 | C07 | N02 | C01 | 179.9° | 180.0° |
| C07 | C06 | C05 | H5 | 179.8° | 180.0° |
| C05 | C04 | C09 | N11 | 4.3° | 0.0° |
| C05 | C04 | C09 | C03 | 179.5° | 180.0° |
| C05 | C04 | C03 | N02 | 0.3° | 0.3° |
| C05 | C04 | C09 | O10 | 175.4° | 180.0° |
| C05 | C04 | C03 | H4 | 179.7° | 180.0° |
| C04 | C05 | C06 | H6 | 179.8° | 180.0° |
| O08 | C07 | N02 | C03 | 179.9° | 179.7° |
| O08 | C07 | N02 | C01 | 0.2° | 0.2° |
| O08 | C07 | C06 | H6 | 0.1° | 0.0° |
| C13 | C12 | N11 | H7 | 120.3° | 120.1° |
| C13 | C12 | N11 | H8 | 120.3° | 120.0° |
| C13 | C12 | N11 | C09 | 58.6° | 180.0° |
| C13 | C12 | H7 | H8 | 119.2° | 120.0° |
| C12 | C13 | H9 | H10 | 118.1° | 120.0° |
| C12 | C13 | C14 | H11 | 122.4° | 60.0° |
| C12 | C13 | C14 | H12 | 2.0° | 59.9° |
| C13 | C12 | N11 | H17 | 121.4° | 0.0° |
| C07 | N02 | C03 | C04 | 0.2° | 0.5° |
| C07 | N02 | C03 | C01 | 179.9° | 179.5° |
| C07 | N02 | C01 | H1 | 180.0° | 0.1° |
| C07 | N02 | C01 | H2 | 60.0° | 120.0° |
| C07 | N02 | C01 | H3 | 60.0° | 120.0° |
| C07 | N02 | C03 | H4 | 179.9° | 179.7° |
| N02 | C07 | C06 | H6 | 180.0° | 179.7° |
| C12 | N11 | C09 | H17 | 180.0° | 180.0° |
| C12 | N11 | C09 | C04 | 179.9° | 180.0° |
| C12 | N11 | C09 | O10 | 0.1° | 0.0° |
| N11 | C12 | H7 | H8 | 119.2° | 119.9° |
| N11 | C12 | C13 | H9 | 144.0° | 60.0° |
| N11 | C12 | C13 | H10 | 25.3° | 59.9° |
| N11 | C09 | C04 | O10 | 179.7° | 180.0° |
| N11 | C09 | C04 | C03 | 176.2° | 180.0° |
| C09 | N11 | C12 | H7 | 178.9° | 60.0° |
| C09 | N11 | C12 | H8 | 61.7° | 60.0° |
| C09 | C04 | C03 | N02 | 179.8° | 179.7° |
| C09 | C04 | C03 | H4 | 0.2° | 0.0° |
| C09 | C04 | C05 | H5 | 0.1° | 0.0° |
| C04 | C09 | N11 | H17 | 0.1° | 0.0° |
| C04 | C03 | N02 | H4 | 180.0° | 179.7° |
| C04 | C03 | N02 | C01 | 179.8° | 180.0° |
| C03 | C04 | C09 | O10 | 4.1° | 0.0° |
| C03 | C04 | C05 | H5 | 179.6° | 180.0° |
| C03 | N02 | C01 | H1 | 0.1° | 179.4° |
| C03 | N02 | C01 | H2 | 120.0° | 60.5° |
| C03 | N02 | C01 | H3 | 120.0° | 59.4° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | N02 | C03 | H4 | 0.2° | 0.3° |
| O10 | C09 | N11 | H17 | 179.9° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H5 | C05 | C06 | H6 | 0.2° | 0.1° |
| H7 | C12 | C13 | H9 | 95.7° | 60.0° |
| H7 | C12 | C13 | H10 | 145.6° | 179.9° |
| H7 | C12 | N11 | H17 | 1.1° | 120.0° |
| H8 | C12 | C13 | H9 | 23.7° | 179.9° |
| H8 | C12 | C13 | H10 | 95.0° | 60.0° |
| H8 | C12 | N11 | H17 | 118.3° | 120.0° |
| H9 | C13 | C14 | H11 | 117.0° | 179.9° |
| H9 | C13 | C14 | H12 | 122.6° | 60.1° |
| H10 | C13 | C14 | H11 | 1.7° | 60.1° |
| H10 | C13 | C14 | H12 | 118.6° | 180.0° |
| H11 | C14 | N15 | H18 | 70.8° | 120.0° |
| H12 | C14 | N15 | H18 | 168.8° | 120.0° |
| H13 | C19 | C20 | H14 | 0.7° | 0.1° |
| H15 | C23 | C24 | H16 | 0.5° | 0.3° |
