A1EFL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | N24 | sing | 1.46Å | 1.45Å | |
| N24 | C21 | sing | 1.39Å | 1.45Å | |
| C21 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | N20 | sing | 1.33Å | 1.31Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| N20 | C19 | doub | 1.32Å | 1.32Å | Aromatic |
| C23 | C18 | doub | 1.40Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C15 | sing | 1.48Å | 1.38Å | |
| C15 | C16 | doub | 1.40Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | N13 | doub | 1.31Å | 1.32Å | Aromatic |
| C17 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| N13 | C12 | sing | 1.33Å | 1.32Å | Aromatic |
| C12 | C11 | sing | 1.47Å | 1.53Å | |
| C11 | C10 | doub | 1.35Å | 1.31Å | |
| C10 | C08 | sing | 1.47Å | 1.52Å | |
| C08 | N07 | doub | 1.29Å | 1.30Å | Aromatic |
| C08 | S09 | sing | 1.76Å | 1.73Å | Aromatic |
| N07 | C05 | sing | 1.34Å | 1.34Å | Aromatic |
| S09 | C04 | sing | 1.76Å | 1.75Å | Aromatic |
| C05 | C04 | doub | 1.40Å | 1.36Å | Aromatic |
| C05 | C06 | sing | 1.41Å | 1.42Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | C01 | doub | 1.36Å | 1.37Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
| C01 | C02 | sing | 1.39Å | 1.38Å | Aromatic |
| C02 | O26 | sing | 1.36Å | 1.40Å | |
| C27 | O26 | sing | 1.43Å | 1.39Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| F30 | C29 | sing | 1.40Å | 1.36Å | |
| O31 | C28 | sing | 1.43Å | 1.39Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C25 | H1 | sing | 1.09Å | 1.10Å | |
| C25 | H2 | sing | 1.09Å | 1.10Å | |
| C25 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.08Å | 1.08Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| N24 | H20 | sing | 0.97Å | 1.00Å | |
| O31 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | N24 | C21 | 118.7° | 119.9° |
| N24 | C25 | H1 | 109.5° | 109.5° |
| N24 | C25 | H2 | 109.4° | 109.5° |
| N24 | C25 | H3 | 109.5° | 109.5° |
| C25 | N24 | H20 | 107.1° | 120.1° |
| N24 | C21 | C22 | 118.6° | 119.6° |
| N24 | C21 | N20 | 119.9° | 119.5° |
| C21 | N24 | H20 | 107.1° | 120.0° |
| C22 | C21 | N20 | 121.4° | 120.9° |
| C21 | C22 | C23 | 118.3° | 119.3° |
| C21 | C22 | H13 | 120.9° | 120.3° |
| C21 | N20 | C19 | 122.2° | 121.7° |
| C22 | C23 | C18 | 118.4° | 118.4° |
| C23 | C22 | H13 | 120.9° | 120.4° |
| C22 | C23 | H14 | 120.8° | 120.8° |
| N20 | C19 | C18 | 119.1° | 120.7° |
| N20 | C19 | H12 | 120.5° | 119.7° |
| C23 | C18 | C19 | 120.6° | 119.1° |
| C23 | C18 | C15 | 118.6° | 120.5° |
| C18 | C23 | H14 | 120.8° | 120.8° |
| C19 | C18 | C15 | 120.8° | 120.5° |
| C18 | C19 | H12 | 120.5° | 119.7° |
| C18 | C15 | C16 | 118.1° | 120.4° |
| C18 | C15 | C14 | 121.6° | 120.4° |
| C16 | C15 | C14 | 120.3° | 119.2° |
| C15 | C16 | C17 | 118.9° | 118.5° |
| C15 | C16 | H10 | 120.6° | 120.7° |
| C15 | C14 | N13 | 119.2° | 120.8° |
| C15 | C14 | H9 | 120.4° | 119.6° |
| C16 | C17 | C12 | 117.8° | 119.2° |
| C17 | C16 | H10 | 120.6° | 120.8° |
| C16 | C17 | H11 | 121.1° | 120.4° |
| C14 | N13 | C12 | 121.8° | 121.7° |
| N13 | C14 | H9 | 120.4° | 119.6° |
| C17 | C12 | N13 | 122.0° | 120.7° |
| C17 | C12 | C11 | 117.6° | 119.6° |
| C12 | C17 | H11 | 121.1° | 120.4° |
| N13 | C12 | C11 | 120.4° | 119.6° |
| C12 | C11 | C10 | 120.7° | 120.0° |
| C12 | C11 | H8 | 119.6° | 120.0° |
| C11 | C10 | C08 | 119.6° | 120.0° |
| C11 | C10 | H4 | 120.2° | 120.0° |
| C10 | C11 | H8 | 119.6° | 120.1° |
| C10 | C08 | N07 | 124.9° | 124.9° |
| C10 | C08 | S09 | 128.0° | 124.9° |
| C08 | C10 | H4 | 120.2° | 120.0° |
| N07 | C08 | S09 | 107.1° | 110.2° |
| C08 | N07 | C05 | 117.1° | 118.1° |
| C08 | S09 | C04 | 94.5° | 90.4° |
| N07 | C05 | C04 | 116.9° | 113.0° |
| N07 | C05 | C06 | 122.6° | 128.7° |
| S09 | C04 | C05 | 104.4° | 108.4° |
| S09 | C04 | C03 | 136.1° | 131.3° |
| C04 | C05 | C06 | 120.6° | 118.3° |
| C05 | C04 | C03 | 119.5° | 120.4° |
| C05 | C06 | C01 | 119.9° | 120.7° |
| C05 | C06 | H7 | 120.0° | 119.6° |
| C04 | C03 | C02 | 120.0° | 120.0° |
| C04 | C03 | H6 | 120.0° | 120.0° |
| C06 | C01 | C02 | 119.9° | 120.7° |
| C06 | C01 | H5 | 120.1° | 119.6° |
| C01 | C06 | H7 | 120.0° | 119.7° |
| C03 | C02 | C01 | 120.2° | 119.9° |
| C03 | C02 | O26 | 121.3° | 120.1° |
| C02 | C03 | H6 | 120.0° | 120.0° |
| C01 | C02 | O26 | 118.4° | 120.0° |
| C02 | C01 | H5 | 120.1° | 119.6° |
| C02 | O26 | C27 | 115.1° | 117.0° |
| O26 | C27 | C28 | 107.4° | 109.5° |
| O26 | C27 | H15 | 110.0° | 109.4° |
| O26 | C27 | H16 | 110.0° | 109.4° |
| C27 | C28 | O31 | 109.3° | 109.4° |
| C27 | C28 | C29 | 109.3° | 109.5° |
| C28 | C27 | H15 | 110.0° | 109.5° |
| C28 | C27 | H16 | 110.0° | 109.5° |
| C27 | C28 | H17 | 109.0° | 109.5° |
| F30 | C29 | C28 | 109.1° | 109.5° |
| F30 | C29 | H18 | 109.6° | 109.5° |
| F30 | C29 | H19 | 109.6° | 109.5° |
| O31 | C28 | C29 | 109.4° | 109.5° |
| O31 | C28 | H17 | 110.8° | 109.5° |
| C28 | O31 | H21 | 109.5° | 114.0° |
| C29 | C28 | H17 | 109.0° | 109.5° |
| C28 | C29 | H18 | 109.6° | 109.4° |
| C28 | C29 | H19 | 109.6° | 109.4° |
| H1 | C25 | H2 | 109.5° | 109.5° |
| H1 | C25 | H3 | 109.4° | 109.5° |
| H2 | C25 | H3 | 109.5° | 109.4° |
| H15 | C27 | H16 | 109.5° | 109.5° |
| H18 | C29 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | N24 | C21 | H20 | 121.3° | 180.0° |
| C25 | N24 | C21 | C22 | 3.0° | 0.0° |
| C25 | N24 | C21 | N20 | 177.0° | 179.7° |
| N24 | C25 | H1 | H2 | 120.0° | 120.1° |
| N24 | C25 | H1 | H3 | 120.0° | 120.0° |
| N24 | C25 | H2 | H3 | 120.0° | 120.0° |
| N24 | C21 | C22 | N20 | 179.9° | 179.7° |
| N24 | C21 | C22 | C23 | 180.0° | 180.0° |
| N24 | C21 | N20 | C19 | 179.9° | 180.0° |
| C21 | N24 | C25 | H1 | 180.0° | 60.0° |
| C21 | N24 | C25 | H2 | 60.0° | 60.0° |
| C21 | N24 | C25 | H3 | 60.0° | 180.0° |
| N24 | C21 | C22 | H13 | 0.0° | 0.3° |
| C21 | C22 | C23 | H13 | 180.0° | 179.8° |
| C22 | C21 | N20 | C19 | 0.0° | 0.3° |
| C21 | C22 | C23 | C18 | 0.2° | 0.0° |
| C21 | C22 | C23 | H14 | 179.7° | 180.0° |
| C22 | C21 | N24 | H20 | 118.3° | 180.0° |
| N20 | C21 | C22 | C23 | 0.0° | 0.3° |
| C21 | N20 | C19 | C18 | 0.4° | 0.0° |
| C21 | N20 | C19 | H12 | 179.6° | 180.0° |
| N20 | C21 | C22 | H13 | 180.0° | 180.0° |
| N20 | C21 | N24 | H20 | 61.7° | 0.2° |
| C22 | C23 | C18 | H14 | 180.0° | 180.0° |
| C22 | C23 | C18 | C19 | 0.6° | 0.3° |
| C22 | C23 | C18 | C15 | 179.6° | 180.0° |
| N20 | C19 | C18 | C23 | 0.7° | 0.3° |
| N20 | C19 | C18 | H12 | 180.0° | 179.9° |
| N20 | C19 | C18 | C15 | 179.6° | 180.0° |
| C23 | C18 | C19 | C15 | 178.9° | 179.7° |
| C23 | C18 | C15 | C16 | 9.9° | 179.7° |
| C23 | C18 | C15 | C14 | 170.7° | 0.1° |
| C23 | C18 | C19 | H12 | 179.3° | 179.7° |
| C18 | C23 | C22 | H13 | 179.7° | 179.7° |
| C19 | C18 | C15 | C16 | 169.0° | 0.1° |
| C19 | C18 | C15 | C14 | 10.3° | 179.8° |
| C19 | C18 | C23 | H14 | 179.4° | 179.7° |
| C18 | C15 | C16 | C14 | 179.4° | 179.8° |
| C18 | C15 | C16 | C17 | 179.7° | 179.9° |
| C18 | C15 | C14 | N13 | 179.6° | 179.9° |
| C18 | C15 | C14 | H9 | 0.4° | 0.1° |
| C18 | C15 | C16 | H10 | 0.3° | 0.2° |
| C15 | C18 | C19 | H12 | 0.4° | 0.1° |
| C15 | C18 | C23 | H14 | 0.4° | 0.0° |
| C15 | C16 | C17 | H10 | 180.0° | 179.7° |
| C16 | C15 | C14 | N13 | 0.3° | 0.2° |
| C15 | C16 | C17 | C12 | 0.2° | 0.0° |
| C16 | C15 | C14 | H9 | 179.7° | 179.7° |
| C15 | C16 | C17 | H11 | 179.8° | 180.0° |
| C14 | C15 | C16 | C17 | 0.3° | 0.2° |
| C15 | C14 | N13 | H9 | 180.0° | 180.0° |
| C15 | C14 | N13 | C12 | 0.1° | 0.0° |
| C14 | C15 | C16 | H10 | 179.7° | 180.0° |
| C16 | C17 | C12 | H11 | 180.0° | 180.0° |
| C16 | C17 | C12 | N13 | 0.0° | 0.2° |
| C16 | C17 | C12 | C11 | 179.9° | 180.0° |
| C14 | N13 | C12 | C17 | 0.0° | 0.2° |
| C14 | N13 | C12 | C11 | 180.0° | 180.0° |
| C17 | C12 | N13 | C11 | 179.9° | 179.7° |
| C17 | C12 | C11 | C10 | 178.6° | 180.0° |
| C17 | C12 | C11 | H8 | 1.4° | 0.0° |
| C12 | C17 | C16 | H10 | 179.8° | 179.7° |
| N13 | C12 | C11 | C10 | 1.3° | 0.3° |
| N13 | C12 | C11 | H8 | 178.7° | 179.7° |
| C12 | N13 | C14 | H9 | 179.9° | 180.0° |
| N13 | C12 | C17 | H11 | 180.0° | 179.8° |
| C12 | C11 | C10 | H8 | 180.0° | 180.0° |
| C12 | C11 | C10 | C08 | 179.5° | 180.0° |
| C12 | C11 | C10 | H4 | 0.5° | 0.0° |
| C11 | C12 | C17 | H11 | 0.1° | 0.0° |
| C11 | C10 | C08 | H4 | 180.0° | 179.9° |
| C11 | C10 | C08 | N07 | 173.1° | 0.1° |
| C11 | C10 | C08 | S09 | 7.4° | 180.0° |
| C10 | C08 | N07 | S09 | 179.7° | 179.9° |
| C10 | C08 | N07 | C05 | 179.6° | 179.9° |
| C10 | C08 | S09 | C04 | 179.6° | 179.9° |
| C08 | C10 | C11 | H8 | 0.5° | 0.0° |
| N07 | C08 | S09 | C04 | 0.0° | 0.0° |
| C08 | N07 | C05 | C04 | 0.0° | 0.1° |
| C08 | N07 | C05 | C06 | 180.0° | 179.7° |
| N07 | C08 | C10 | H4 | 7.0° | 180.0° |
| S09 | C08 | N07 | C05 | 0.1° | 0.1° |
| C08 | S09 | C04 | C05 | 0.0° | 0.0° |
| C08 | S09 | C04 | C03 | 180.0° | 180.0° |
| S09 | C08 | C10 | H4 | 172.6° | 0.1° |
| N07 | C05 | C04 | S09 | 0.0° | 0.1° |
| N07 | C05 | C04 | C06 | 179.9° | 179.7° |
| N07 | C05 | C04 | C03 | 180.0° | 180.0° |
| N07 | C05 | C06 | C01 | 179.9° | 179.8° |
| N07 | C05 | C06 | H7 | 0.1° | 0.3° |
| S09 | C04 | C05 | C03 | 180.0° | 180.0° |
| S09 | C04 | C05 | C06 | 179.9° | 179.7° |
| S09 | C04 | C03 | C02 | 179.8° | 180.0° |
| S09 | C04 | C03 | H6 | 0.2° | 0.0° |
| C04 | C05 | C06 | C01 | 0.0° | 0.6° |
| C05 | C04 | C03 | C02 | 0.1° | 0.1° |
| C05 | C04 | C03 | H6 | 179.8° | 180.0° |
| C04 | C05 | C06 | H7 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 0.1° | 0.3° |
| C05 | C06 | C01 | H7 | 180.0° | 179.5° |
| C05 | C06 | C01 | C02 | 0.1° | 0.6° |
| C05 | C06 | C01 | H5 | 179.9° | 179.7° |
| C04 | C03 | C02 | H6 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.2° | 0.0° |
| C04 | C03 | C02 | O26 | 180.0° | 180.0° |
| C06 | C01 | C02 | C03 | 0.1° | 0.3° |
| C06 | C01 | C02 | H5 | 180.0° | 179.7° |
| C06 | C01 | C02 | O26 | 180.0° | 179.7° |
| C03 | C02 | C01 | O26 | 179.8° | 180.0° |
| C03 | C02 | O26 | C27 | 19.3° | 180.0° |
| C03 | C02 | C01 | H5 | 179.8° | 180.0° |
| C01 | C02 | O26 | C27 | 160.9° | 0.0° |
| C01 | C02 | C03 | H6 | 179.8° | 180.0° |
| C02 | C01 | C06 | H7 | 179.9° | 179.9° |
| C02 | O26 | C27 | C28 | 163.3° | 180.0° |
| O26 | C02 | C01 | H5 | 0.0° | 0.0° |
| O26 | C02 | C03 | H6 | 0.0° | 0.0° |
| C02 | O26 | C27 | H15 | 43.6° | 60.0° |
| C02 | O26 | C27 | H16 | 77.0° | 60.0° |
| O26 | C27 | C28 | H15 | 119.7° | 120.0° |
| O26 | C27 | C28 | H16 | 119.7° | 120.0° |
| O26 | C27 | C28 | O31 | 163.7° | 65.0° |
| O26 | C27 | C28 | C29 | 43.9° | 175.0° |
| O26 | C27 | H15 | H16 | 120.9° | 120.0° |
| O26 | C27 | C28 | H17 | 75.1° | 55.0° |
| C27 | C28 | C29 | F30 | 59.1° | 175.0° |
| C27 | C28 | O31 | C29 | 119.7° | 120.0° |
| C27 | C28 | O31 | H17 | 120.1° | 120.0° |
| C27 | C28 | C29 | H17 | 119.0° | 120.0° |
| C28 | C27 | H15 | H16 | 121.0° | 120.0° |
| C27 | C28 | C29 | H18 | 179.0° | 65.0° |
| C27 | C28 | C29 | H19 | 60.9° | 55.0° |
| C27 | C28 | O31 | H21 | 180.0° | 60.0° |
| F30 | C29 | C28 | O31 | 60.6° | 65.0° |
| F30 | C29 | C28 | H18 | 119.9° | 120.0° |
| F30 | C29 | C28 | H19 | 119.9° | 120.0° |
| F30 | C29 | C28 | H17 | 178.0° | 55.0° |
| F30 | C29 | H18 | H19 | 120.2° | 120.1° |
| O31 | C28 | C29 | H17 | 121.3° | 120.0° |
| O31 | C28 | C27 | H15 | 76.6° | 175.0° |
| O31 | C28 | C27 | H16 | 44.1° | 54.9° |
| O31 | C28 | C29 | H18 | 59.3° | 55.0° |
| O31 | C28 | C29 | H19 | 179.4° | 174.9° |
| C29 | C28 | C27 | H15 | 163.6° | 55.0° |
| C29 | C28 | C27 | H16 | 75.7° | 65.0° |
| C28 | C29 | H18 | H19 | 120.2° | 119.9° |
| C29 | C28 | O31 | H21 | 60.3° | 60.0° |
| H1 | C25 | H2 | H3 | 120.0° | 120.0° |
| H1 | C25 | N24 | H20 | 58.7° | 119.9° |
| H2 | C25 | N24 | H20 | 61.3° | 120.0° |
| H3 | C25 | N24 | H20 | 178.6° | 0.1° |
| H4 | C10 | C11 | H8 | 179.5° | 179.9° |
| H5 | C01 | C06 | H7 | 0.1° | 0.2° |
| H10 | C16 | C17 | H11 | 0.2° | 0.3° |
| H13 | C22 | C23 | H14 | 0.3° | 0.3° |
| H15 | C27 | C28 | H17 | 44.6° | 65.0° |
| H16 | C27 | C28 | H17 | 165.3° | 175.0° |
| H17 | C28 | C29 | H18 | 62.0° | 175.0° |
| H17 | C28 | C29 | H19 | 58.1° | 65.0° |
| H17 | C28 | O31 | H21 | 59.9° | 180.0° |
