EN6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | N3 | sing | 1.47Å | 1.46Å | |
| C24 | O3 | sing | 1.43Å | 1.43Å | |
| N3 | C22 | sing | 1.35Å | 1.34Å | |
| O1 | C21 | sing | 1.43Å | 1.43Å | |
| C21 | C17 | sing | 1.51Å | 1.49Å | |
| C22 | O2 | doub | 1.22Å | 1.24Å | |
| C22 | C18 | sing | 1.47Å | 1.47Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | N1 | sing | 1.34Å | 1.35Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.36Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.41Å | 1.43Å | Aromatic |
| N1 | C1 | sing | 1.40Å | 1.44Å | |
| N1 | N2 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C19 | N2 | doub | 1.30Å | 1.31Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.49Å | |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | S1 | sing | 1.76Å | 1.72Å | Aromatic |
| C5 | C7 | sing | 1.45Å | 1.42Å | Aromatic |
| C7 | C8 | doub | 1.32Å | 1.34Å | Aromatic |
| S1 | C8 | sing | 1.75Å | 1.74Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.49Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| F1 | C16 | sing | 1.40Å | 1.30Å | |
| C14 | C16 | sing | 1.51Å | 1.52Å | |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | F2 | sing | 1.40Å | 1.31Å | |
| C16 | F3 | sing | 1.40Å | 1.33Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| O1 | H19 | sing | 0.97Å | 0.95Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| O3 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | N3 | 111.9° | 109.5° |
| C23 | C24 | O3 | 110.6° | 109.5° |
| C23 | C24 | H11 | 109.2° | 109.5° |
| C23 | C24 | H12 | 109.2° | 109.5° |
| C24 | C23 | H20 | 108.9° | 109.5° |
| C24 | C23 | H21 | 108.9° | 109.5° |
| C23 | N3 | C22 | 123.5° | 120.0° |
| C23 | N3 | H1 | 118.3° | 120.0° |
| N3 | C23 | H20 | 108.9° | 109.5° |
| N3 | C23 | H21 | 108.9° | 109.4° |
| O3 | C24 | H11 | 109.2° | 109.4° |
| O3 | C24 | H12 | 109.2° | 109.5° |
| C24 | O3 | H22 | 109.5° | 114.1° |
| N3 | C22 | O2 | 121.9° | 120.0° |
| N3 | C22 | C18 | 117.4° | 120.0° |
| C22 | N3 | H1 | 118.2° | 120.0° |
| O1 | C21 | C17 | 110.4° | 109.5° |
| O1 | C21 | H9 | 109.2° | 109.5° |
| O1 | C21 | H10 | 109.3° | 109.5° |
| C21 | O1 | H19 | 109.5° | 114.0° |
| C21 | C17 | C18 | 129.5° | 126.3° |
| C21 | C17 | N1 | 123.7° | 126.3° |
| C17 | C21 | H9 | 109.2° | 109.4° |
| C17 | C21 | H10 | 109.2° | 109.5° |
| O2 | C22 | C18 | 120.6° | 120.0° |
| C22 | C18 | C17 | 126.5° | 126.4° |
| C22 | C18 | C19 | 127.2° | 126.4° |
| C18 | C17 | N1 | 106.8° | 107.4° |
| C17 | C18 | C19 | 106.4° | 107.2° |
| C17 | N1 | C1 | 129.8° | 125.8° |
| C17 | N1 | N2 | 110.5° | 108.5° |
| C3 | C2 | C1 | 120.8° | 120.1° |
| C2 | C3 | C4 | 121.3° | 120.7° |
| C3 | C2 | H13 | 119.6° | 119.9° |
| C2 | C3 | H14 | 119.4° | 119.7° |
| C2 | C1 | N1 | 119.2° | 119.9° |
| C2 | C1 | C6 | 117.5° | 120.0° |
| C1 | C2 | H13 | 119.6° | 120.0° |
| C3 | C4 | C5 | 119.0° | 120.6° |
| C3 | C4 | H2 | 120.5° | 119.7° |
| C4 | C3 | H14 | 119.3° | 119.7° |
| C18 | C19 | N2 | 110.0° | 108.1° |
| C18 | C19 | C20 | 130.8° | 126.0° |
| C1 | N1 | N2 | 119.6° | 125.7° |
| N1 | C1 | C6 | 123.0° | 120.0° |
| N1 | N2 | C19 | 106.3° | 108.9° |
| C1 | C6 | C5 | 121.5° | 119.8° |
| C1 | C6 | S1 | 126.6° | 130.5° |
| C4 | C5 | C6 | 119.6° | 118.9° |
| C4 | C5 | C7 | 128.7° | 129.3° |
| C5 | C4 | H2 | 120.5° | 119.7° |
| N2 | C19 | C20 | 119.1° | 125.9° |
| C19 | C20 | H6 | 109.5° | 109.5° |
| C19 | C20 | H7 | 109.5° | 109.5° |
| C19 | C20 | H8 | 109.4° | 109.5° |
| C5 | C6 | S1 | 111.7° | 109.7° |
| C6 | C5 | C7 | 111.6° | 111.9° |
| C6 | S1 | C8 | 90.9° | 92.2° |
| C5 | C7 | C8 | 113.4° | 114.8° |
| C5 | C7 | H3 | 123.3° | 122.6° |
| C7 | C8 | S1 | 112.3° | 111.4° |
| C7 | C8 | C9 | 126.3° | 124.3° |
| C8 | C7 | H3 | 123.3° | 122.6° |
| S1 | C8 | C9 | 121.4° | 124.3° |
| C8 | C9 | C10 | 117.8° | 109.5° |
| C8 | C9 | H15 | 107.4° | 109.4° |
| C8 | C9 | H16 | 107.3° | 109.4° |
| C9 | C10 | C15 | 119.9° | 120.0° |
| C9 | C10 | C11 | 121.6° | 120.0° |
| C10 | C9 | H15 | 107.3° | 109.5° |
| C10 | C9 | H16 | 107.3° | 109.5° |
| C15 | C10 | C11 | 118.1° | 120.0° |
| C10 | C15 | C14 | 122.0° | 120.0° |
| C10 | C15 | H5 | 119.0° | 120.0° |
| C10 | C11 | C12 | 120.6° | 120.0° |
| C10 | C11 | H17 | 119.7° | 120.0° |
| C15 | C14 | C16 | 119.2° | 120.0° |
| C15 | C14 | C13 | 119.4° | 120.0° |
| C14 | C15 | H5 | 119.0° | 120.0° |
| C11 | C12 | C13 | 120.6° | 120.0° |
| C12 | C11 | H17 | 119.7° | 120.0° |
| C11 | C12 | H18 | 119.7° | 120.0° |
| F1 | C16 | C14 | 112.3° | 109.5° |
| F1 | C16 | F2 | 103.6° | 109.5° |
| F1 | C16 | F3 | 104.4° | 109.4° |
| C16 | C14 | C13 | 121.1° | 120.0° |
| C14 | C16 | F2 | 114.3° | 109.5° |
| C14 | C16 | F3 | 114.4° | 109.5° |
| C14 | C13 | C12 | 119.2° | 120.0° |
| C14 | C13 | H4 | 120.4° | 120.0° |
| C12 | C13 | H4 | 120.4° | 120.0° |
| C13 | C12 | H18 | 119.7° | 120.0° |
| F2 | C16 | F3 | 106.8° | 109.4° |
| H6 | C20 | H7 | 109.5° | 109.4° |
| H6 | C20 | H8 | 109.5° | 109.4° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H9 | C21 | H10 | 109.4° | 109.5° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.4° |
| H20 | C23 | H21 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | N3 | H20 | 120.4° | 120.1° |
| C24 | C23 | N3 | H21 | 120.4° | 120.0° |
| C23 | C24 | O3 | H11 | 120.2° | 120.0° |
| C23 | C24 | O3 | H12 | 120.2° | 120.0° |
| C24 | C23 | N3 | C22 | 75.3° | 180.0° |
| C24 | C23 | N3 | H1 | 104.7° | 0.0° |
| C23 | C24 | H11 | H12 | 119.5° | 120.0° |
| C24 | C23 | H20 | H21 | 118.9° | 120.0° |
| C23 | C24 | O3 | H22 | 180.0° | 180.0° |
| N3 | C23 | C24 | O3 | 59.8° | 65.0° |
| C23 | N3 | C22 | H1 | 180.0° | 180.0° |
| C23 | N3 | C22 | O2 | 2.9° | 0.0° |
| C23 | N3 | C22 | C18 | 179.9° | 180.0° |
| N3 | C23 | C24 | H11 | 180.0° | 175.0° |
| N3 | C23 | C24 | H12 | 60.4° | 55.0° |
| N3 | C23 | H20 | H21 | 118.9° | 119.9° |
| O3 | C24 | H11 | H12 | 119.5° | 120.0° |
| O3 | C24 | C23 | H20 | 179.8° | 55.0° |
| O3 | C24 | C23 | H21 | 60.6° | 175.0° |
| N3 | C22 | O2 | C18 | 176.9° | 180.0° |
| N3 | C22 | C18 | C17 | 16.5° | 90.0° |
| N3 | C22 | C18 | C19 | 162.4° | 90.0° |
| C22 | N3 | C23 | H20 | 45.0° | 59.9° |
| C22 | N3 | C23 | H21 | 164.3° | 60.0° |
| O1 | C21 | C17 | H9 | 120.2° | 120.0° |
| O1 | C21 | C17 | H10 | 120.2° | 120.0° |
| O1 | C21 | C17 | C18 | 63.3° | 84.4° |
| O1 | C21 | C17 | N1 | 113.8° | 95.5° |
| O1 | C21 | H9 | H10 | 119.6° | 120.0° |
| C21 | C17 | C18 | C22 | 3.3° | 0.0° |
| C21 | C17 | C18 | N1 | 177.4° | 179.9° |
| C21 | C17 | C18 | C19 | 175.8° | 180.0° |
| C21 | C17 | N1 | C1 | 6.4° | 0.1° |
| C21 | C17 | N1 | N2 | 177.1° | 179.8° |
| C17 | C21 | H9 | H10 | 119.5° | 120.0° |
| C17 | C21 | O1 | H19 | 180.0° | 179.9° |
| O2 | C22 | C18 | C17 | 160.5° | 90.0° |
| O2 | C22 | C18 | C19 | 20.6° | 90.0° |
| O2 | C22 | N3 | H1 | 177.1° | 180.0° |
| C22 | C18 | C17 | C19 | 179.1° | 180.0° |
| C22 | C18 | C17 | N1 | 179.2° | 179.9° |
| C22 | C18 | C19 | N2 | 178.5° | 179.8° |
| C22 | C18 | C19 | C20 | 1.6° | 0.1° |
| C18 | C22 | N3 | H1 | 0.1° | 0.0° |
| C18 | C17 | N1 | C1 | 175.9° | 180.0° |
| C18 | C17 | N1 | N2 | 0.5° | 0.3° |
| C17 | C18 | C19 | N2 | 2.4° | 0.2° |
| C17 | C18 | C19 | C20 | 179.3° | 179.9° |
| C18 | C17 | C21 | H9 | 56.9° | 35.6° |
| C18 | C17 | C21 | H10 | 176.5° | 155.6° |
| C17 | N1 | C1 | C2 | 48.6° | 48.6° |
| N1 | C17 | C18 | C19 | 1.7° | 0.0° |
| C17 | N1 | C1 | N2 | 176.1° | 179.6° |
| C17 | N1 | C1 | C6 | 137.5° | 131.3° |
| C17 | N1 | N2 | C19 | 1.0° | 0.5° |
| N1 | C17 | C21 | H9 | 126.0° | 144.5° |
| N1 | C17 | C21 | H10 | 6.4° | 24.5° |
| C3 | C2 | C1 | H13 | 180.0° | 179.4° |
| C2 | C3 | C4 | H14 | 180.0° | 179.4° |
| C3 | C2 | C1 | N1 | 179.2° | 179.7° |
| C3 | C2 | C1 | C6 | 5.0° | 0.3° |
| C2 | C3 | C4 | C5 | 1.2° | 0.5° |
| C2 | C3 | C4 | H2 | 178.8° | 179.7° |
| C1 | C2 | C3 | C4 | 1.8° | 0.6° |
| C2 | C1 | N1 | C6 | 173.9° | 180.0° |
| C2 | C1 | N1 | N2 | 127.5° | 131.7° |
| C2 | C1 | C6 | C5 | 5.5° | 0.1° |
| C2 | C1 | C6 | S1 | 179.8° | 180.0° |
| C1 | C2 | C3 | H14 | 178.2° | 180.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.8° | 0.2° |
| C3 | C4 | C5 | C7 | 179.5° | 179.7° |
| C4 | C3 | C2 | H13 | 178.2° | 180.0° |
| C18 | C19 | N2 | N1 | 2.1° | 0.4° |
| C18 | C19 | N2 | C20 | 177.3° | 179.7° |
| C18 | C19 | C20 | H6 | 176.7° | 90.0° |
| C18 | C19 | C20 | H7 | 63.4° | 150.0° |
| C18 | C19 | C20 | H8 | 56.7° | 30.0° |
| C1 | N1 | N2 | C19 | 177.8° | 179.8° |
| N1 | C1 | C6 | C5 | 179.4° | 180.0° |
| N1 | C1 | C6 | S1 | 5.8° | 0.0° |
| N1 | C1 | C2 | H13 | 0.8° | 0.3° |
| N2 | N1 | C1 | C6 | 46.4° | 48.3° |
| N1 | N2 | C19 | C20 | 179.4° | 179.9° |
| C1 | C6 | C5 | C4 | 2.7° | 0.1° |
| C1 | C6 | C5 | S1 | 175.5° | 179.9° |
| C1 | C6 | C5 | C7 | 176.3° | 180.0° |
| C1 | C6 | S1 | C8 | 175.0° | 180.0° |
| C6 | C1 | C2 | H13 | 175.0° | 179.7° |
| C4 | C5 | C6 | C7 | 178.9° | 179.9° |
| C4 | C5 | C6 | S1 | 178.1° | 180.0° |
| C4 | C5 | C7 | C8 | 177.0° | 179.9° |
| C4 | C5 | C7 | H3 | 3.0° | 0.1° |
| C5 | C4 | C3 | H14 | 178.8° | 180.0° |
| N2 | C19 | C20 | H6 | 0.0° | 90.4° |
| N2 | C19 | C20 | H7 | 120.0° | 29.6° |
| N2 | C19 | C20 | H8 | 120.0° | 149.7° |
| C19 | C20 | H6 | H7 | 120.0° | 120.0° |
| C19 | C20 | H6 | H8 | 120.0° | 120.0° |
| C19 | C20 | H7 | H8 | 120.0° | 120.1° |
| C6 | C5 | C7 | C8 | 1.8° | 0.1° |
| C5 | C6 | S1 | C8 | 0.2° | 0.0° |
| C6 | C5 | C4 | H2 | 179.2° | 179.9° |
| C6 | C5 | C7 | H3 | 178.1° | 180.0° |
| S1 | C6 | C5 | C7 | 0.8° | 0.1° |
| C6 | S1 | C8 | C7 | 1.3° | 0.0° |
| C6 | S1 | C8 | C9 | 178.4° | 180.0° |
| C5 | C7 | C8 | H3 | 180.0° | 180.0° |
| C5 | C7 | C8 | S1 | 2.0° | 0.0° |
| C5 | C7 | C8 | C9 | 177.7° | 180.0° |
| C7 | C5 | C4 | H2 | 0.5° | 0.1° |
| C7 | C8 | S1 | C9 | 179.7° | 180.0° |
| C7 | C8 | C9 | C10 | 138.3° | 90.0° |
| C7 | C8 | C9 | H15 | 17.1° | 150.0° |
| C7 | C8 | C9 | H16 | 100.5° | 30.1° |
| S1 | C8 | C9 | C10 | 42.0° | 90.0° |
| S1 | C8 | C7 | H3 | 178.0° | 180.0° |
| S1 | C8 | C9 | H15 | 163.2° | 30.0° |
| S1 | C8 | C9 | H16 | 79.2° | 149.9° |
| C8 | C9 | C10 | H15 | 121.2° | 120.0° |
| C8 | C9 | C10 | H16 | 121.2° | 120.0° |
| C8 | C9 | C10 | C15 | 118.9° | 90.0° |
| C8 | C9 | C10 | C11 | 68.1° | 89.7° |
| C9 | C8 | C7 | H3 | 2.3° | 0.0° |
| C8 | C9 | H15 | H16 | 116.2° | 119.9° |
| C9 | C10 | C15 | C11 | 173.2° | 179.7° |
| C9 | C10 | C15 | C14 | 173.9° | 179.7° |
| C9 | C10 | C11 | C12 | 175.3° | 179.7° |
| C9 | C10 | C15 | H5 | 6.1° | 0.2° |
| C10 | C9 | H15 | H16 | 116.2° | 120.1° |
| C9 | C10 | C11 | H17 | 4.7° | 0.3° |
| C10 | C15 | C14 | H5 | 180.0° | 179.9° |
| C15 | C10 | C11 | C12 | 2.2° | 0.0° |
| C10 | C15 | C14 | C16 | 177.2° | 179.9° |
| C10 | C15 | C14 | C13 | 2.3° | 0.0° |
| C15 | C10 | C9 | H15 | 119.9° | 30.0° |
| C15 | C10 | C9 | H16 | 2.3° | 150.0° |
| C15 | C10 | C11 | H17 | 177.8° | 180.0° |
| C11 | C10 | C15 | C14 | 0.7° | 0.0° |
| C10 | C11 | C12 | H17 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.7° | 0.0° |
| C11 | C10 | C15 | H5 | 179.3° | 179.9° |
| C11 | C10 | C9 | H15 | 53.1° | 150.3° |
| C11 | C10 | C9 | H16 | 170.7° | 30.3° |
| C10 | C11 | C12 | H18 | 179.3° | 180.0° |
| C15 | C14 | C16 | F1 | 58.7° | 30.0° |
| C15 | C14 | C16 | C13 | 174.7° | 179.9° |
| C15 | C14 | C13 | C12 | 3.8° | 0.0° |
| C15 | C14 | C16 | F2 | 59.1° | 90.0° |
| C15 | C14 | C16 | F3 | 177.4° | 150.0° |
| C15 | C14 | C13 | H4 | 176.2° | 180.0° |
| C11 | C12 | C13 | C14 | 2.4° | 0.0° |
| C11 | C12 | C13 | H18 | 180.0° | 180.0° |
| C11 | C12 | C13 | H4 | 177.6° | 180.0° |
| F1 | C16 | C14 | F2 | 117.7° | 120.0° |
| F1 | C16 | C14 | F3 | 118.8° | 120.0° |
| F1 | C16 | C14 | C13 | 116.1° | 149.9° |
| F1 | C16 | F2 | F3 | 109.9° | 120.0° |
| C16 | C14 | C13 | C12 | 178.6° | 179.9° |
| C14 | C16 | F2 | F3 | 127.5° | 120.0° |
| C16 | C14 | C13 | H4 | 1.4° | 0.1° |
| C16 | C14 | C15 | H5 | 2.8° | 0.0° |
| C14 | C13 | C12 | H4 | 180.0° | 180.0° |
| C13 | C14 | C16 | F2 | 126.2° | 90.0° |
| C13 | C14 | C16 | F3 | 2.7° | 29.9° |
| C13 | C14 | C15 | H5 | 177.6° | 179.9° |
| C14 | C13 | C12 | H18 | 177.6° | 180.0° |
| C13 | C12 | C11 | H17 | 179.4° | 180.0° |
| H1 | N3 | C23 | H20 | 135.0° | 120.0° |
| H1 | N3 | C23 | H21 | 15.7° | 120.0° |
| H2 | C4 | C3 | H14 | 1.2° | 0.3° |
| H4 | C13 | C12 | H18 | 2.4° | 0.0° |
| H6 | C20 | H7 | H8 | 120.0° | 119.9° |
| H9 | C21 | O1 | H19 | 59.8° | 60.0° |
| H10 | C21 | O1 | H19 | 59.8° | 60.0° |
| H11 | C24 | C23 | H20 | 59.7° | 64.9° |
| H11 | C24 | C23 | H21 | 59.6° | 55.0° |
| H11 | C24 | O3 | H22 | 59.8° | 60.0° |
| H12 | C24 | C23 | H20 | 60.0° | 175.0° |
| H12 | C24 | C23 | H21 | 179.3° | 65.0° |
| H12 | C24 | O3 | H22 | 59.8° | 60.0° |
| H13 | C2 | C3 | H14 | 1.8° | 0.6° |
| H17 | C11 | C12 | H18 | 0.7° | 0.0° |
