A1EEK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C24 | sing | 1.40Å | 1.32Å | |
| F2 | C24 | sing | 1.40Å | 1.32Å | |
| C24 | F | sing | 1.40Å | 1.32Å | |
| C24 | C23 | sing | 1.53Å | 1.47Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C11 | O1 | sing | 1.43Å | 1.42Å | |
| O1 | C10 | sing | 1.36Å | 1.36Å | |
| C21 | N2 | sing | 1.46Å | 1.46Å | |
| C13 | C14 | doub | 1.36Å | 1.36Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| O2 | C20 | doub | 1.22Å | 1.22Å | |
| C10 | C12 | doub | 1.41Å | 1.42Å | Aromatic |
| C10 | C9 | sing | 1.37Å | 1.36Å | Aromatic |
| C12 | C17 | sing | 1.42Å | 1.42Å | Aromatic |
| N2 | C20 | sing | 1.35Å | 1.34Å | |
| C20 | N1 | sing | 1.35Å | 1.36Å | |
| C15 | C16 | doub | 1.36Å | 1.36Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.42Å | Aromatic |
| C17 | C7 | doub | 1.40Å | 1.43Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C | sing | 1.53Å | 1.49Å | |
| N1 | C19 | sing | 1.46Å | 1.46Å | |
| N1 | C25 | sing | 1.47Å | 1.46Å | |
| C8 | C7 | sing | 1.36Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.55Å | |
| C19 | N3 | sing | 1.46Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C18 | N | sing | 1.46Å | 1.46Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| N3 | C4 | sing | 1.47Å | 1.47Å | |
| N3 | C27 | sing | 1.34Å | 1.35Å | |
| N | C6 | sing | 1.46Å | 1.46Å | |
| N | C5 | sing | 1.33Å | 1.35Å | |
| C4 | C5 | sing | 1.50Å | 1.52Å | |
| C26 | C27 | sing | 1.50Å | 1.50Å | |
| C27 | O3 | doub | 1.21Å | 1.22Å | |
| C5 | O | doub | 1.21Å | 1.21Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.08Å | 1.08Å | |
| C15 | H30 | sing | 1.08Å | 1.08Å | |
| C14 | H31 | sing | 1.08Å | 1.08Å | |
| C13 | H32 | sing | 1.08Å | 1.08Å | |
| C11 | H33 | sing | 1.09Å | 1.10Å | |
| C11 | H34 | sing | 1.09Å | 1.10Å | |
| C11 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C24 | F2 | 106.4° | 109.5° |
| F1 | C24 | F | 106.0° | 109.5° |
| F1 | C24 | C23 | 112.8° | 109.5° |
| F2 | C24 | F | 106.5° | 109.4° |
| F2 | C24 | C23 | 112.1° | 109.5° |
| F | C24 | C23 | 112.6° | 109.5° |
| C24 | C23 | C22 | 113.0° | 109.4° |
| C24 | C23 | H21 | 108.6° | 109.5° |
| C24 | C23 | H22 | 108.6° | 109.4° |
| C23 | C22 | C21 | 109.1° | 109.4° |
| C23 | C22 | H19 | 109.6° | 109.5° |
| C23 | C22 | H20 | 109.6° | 109.5° |
| C22 | C23 | H21 | 108.6° | 109.5° |
| C22 | C23 | H22 | 108.6° | 109.5° |
| C22 | C21 | N2 | 112.0° | 109.5° |
| C22 | C21 | H17 | 108.8° | 109.5° |
| C22 | C21 | H18 | 108.8° | 109.5° |
| C21 | C22 | H19 | 109.6° | 109.4° |
| C21 | C22 | H20 | 109.6° | 109.4° |
| C11 | O1 | C10 | 117.7° | 117.0° |
| O1 | C11 | H33 | 109.5° | 109.4° |
| O1 | C11 | H34 | 109.4° | 109.4° |
| O1 | C11 | H35 | 109.5° | 109.5° |
| O1 | C10 | C12 | 114.5° | 120.2° |
| O1 | C10 | C9 | 124.5° | 120.2° |
| C21 | N2 | C20 | 120.8° | 120.0° |
| C21 | N2 | H2 | 119.6° | 120.0° |
| N2 | C21 | H17 | 108.8° | 109.4° |
| N2 | C21 | H18 | 108.8° | 109.5° |
| C14 | C13 | C12 | 121.0° | 119.7° |
| C13 | C14 | C15 | 120.6° | 121.0° |
| C13 | C14 | H31 | 119.7° | 119.5° |
| C14 | C13 | H32 | 119.5° | 120.2° |
| C13 | C12 | C10 | 122.9° | 121.3° |
| C13 | C12 | C17 | 118.5° | 119.4° |
| C12 | C13 | H32 | 119.5° | 120.1° |
| C14 | C15 | C16 | 120.6° | 121.0° |
| C14 | C15 | H30 | 119.7° | 119.5° |
| C15 | C14 | H31 | 119.7° | 119.5° |
| O2 | C20 | N2 | 123.4° | 120.0° |
| O2 | C20 | N1 | 121.5° | 120.0° |
| C12 | C10 | C9 | 121.0° | 119.6° |
| C10 | C12 | C17 | 118.5° | 119.3° |
| C10 | C9 | C8 | 120.3° | 120.9° |
| C10 | C9 | H3 | 119.9° | 119.6° |
| C12 | C17 | C16 | 118.2° | 119.3° |
| C12 | C17 | C7 | 119.0° | 119.4° |
| N2 | C20 | N1 | 115.2° | 120.0° |
| C20 | N2 | H2 | 119.6° | 120.0° |
| C20 | N1 | C19 | 115.9° | 120.1° |
| C20 | N1 | C25 | 121.2° | 120.0° |
| C15 | C16 | C17 | 121.1° | 119.6° |
| C15 | C16 | H29 | 119.5° | 120.2° |
| C16 | C15 | H30 | 119.7° | 119.5° |
| C9 | C8 | C7 | 121.8° | 121.1° |
| C9 | C8 | H1 | 119.1° | 119.4° |
| C8 | C9 | H3 | 119.8° | 119.5° |
| C16 | C17 | C7 | 122.8° | 121.2° |
| C17 | C16 | H29 | 119.4° | 120.2° |
| C17 | C7 | C8 | 119.4° | 119.7° |
| C17 | C7 | C6 | 120.5° | 120.2° |
| C2 | C1 | C | 113.9° | 109.5° |
| C1 | C2 | C3 | 111.3° | 109.5° |
| C1 | C2 | C4 | 111.8° | 109.5° |
| C2 | C1 | H4 | 108.4° | 109.5° |
| C2 | C1 | H5 | 108.3° | 109.5° |
| C1 | C2 | H12 | 107.8° | 109.4° |
| C | C1 | H4 | 108.4° | 109.5° |
| C | C1 | H5 | 108.4° | 109.5° |
| C1 | C | H23 | 109.5° | 109.5° |
| C1 | C | H24 | 109.5° | 109.5° |
| C1 | C | H25 | 109.5° | 109.5° |
| C19 | N1 | C25 | 113.2° | 119.9° |
| N1 | C19 | C18 | 109.2° | 109.5° |
| N1 | C19 | N3 | 109.0° | 111.5° |
| N1 | C19 | H26 | 111.3° | 109.3° |
| N1 | C25 | C26 | 110.6° | 107.7° |
| N1 | C25 | H15 | 109.2° | 109.8° |
| N1 | C25 | H16 | 109.2° | 109.8° |
| C8 | C7 | C6 | 120.0° | 120.1° |
| C7 | C8 | H1 | 119.1° | 119.5° |
| C18 | C19 | N3 | 106.2° | 108.4° |
| C19 | C18 | N | 107.0° | 110.6° |
| C18 | C19 | H26 | 109.9° | 109.3° |
| C19 | C18 | H27 | 110.1° | 109.3° |
| C19 | C18 | H28 | 110.1° | 109.2° |
| C19 | N3 | C4 | 112.2° | 117.0° |
| C19 | N3 | C27 | 128.3° | 123.6° |
| N3 | C19 | H26 | 111.1° | 108.8° |
| C3 | C2 | C4 | 110.3° | 109.5° |
| C2 | C3 | H9 | 109.5° | 109.5° |
| C2 | C3 | H10 | 109.4° | 109.5° |
| C2 | C3 | H11 | 109.5° | 109.5° |
| C3 | C2 | H12 | 107.8° | 109.4° |
| C2 | C4 | N3 | 113.3° | 109.6° |
| C2 | C4 | C5 | 109.2° | 109.6° |
| C2 | C4 | H8 | 108.3° | 109.7° |
| C4 | C2 | H12 | 107.6° | 109.5° |
| C7 | C6 | N | 113.7° | 109.5° |
| C7 | C6 | H6 | 108.4° | 109.5° |
| C7 | C6 | H7 | 108.4° | 109.5° |
| C18 | N | C6 | 115.0° | 117.8° |
| C18 | N | C5 | 124.3° | 124.5° |
| N | C18 | H27 | 110.1° | 109.3° |
| N | C18 | H28 | 110.1° | 109.3° |
| C25 | C26 | C27 | 109.4° | 109.0° |
| C25 | C26 | H13 | 109.5° | 109.6° |
| C25 | C26 | H14 | 109.5° | 109.6° |
| C26 | C25 | H15 | 109.2° | 109.8° |
| C26 | C25 | H16 | 109.2° | 109.8° |
| C4 | N3 | C27 | 119.4° | 119.4° |
| N3 | C4 | C5 | 108.3° | 108.8° |
| N3 | C4 | H8 | 109.2° | 109.6° |
| N3 | C27 | C26 | 118.2° | 123.0° |
| N3 | C27 | O3 | 122.0° | 118.5° |
| C6 | N | C5 | 119.1° | 117.8° |
| N | C6 | H6 | 108.4° | 109.4° |
| N | C6 | H7 | 108.4° | 109.4° |
| N | C5 | C4 | 118.3° | 123.1° |
| N | C5 | O | 122.4° | 118.4° |
| C4 | C5 | O | 119.3° | 118.4° |
| C5 | C4 | H8 | 108.6° | 109.6° |
| C26 | C27 | O3 | 119.8° | 118.5° |
| C27 | C26 | H13 | 109.5° | 109.5° |
| C27 | C26 | H14 | 109.5° | 109.6° |
| H4 | C1 | H5 | 109.4° | 109.4° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| H9 | C3 | H10 | 109.5° | 109.4° |
| H9 | C3 | H11 | 109.5° | 109.4° |
| H10 | C3 | H11 | 109.5° | 109.5° |
| H13 | C26 | H14 | 109.5° | 109.5° |
| H15 | C25 | H16 | 109.5° | 109.8° |
| H17 | C21 | H18 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C | H24 | 109.5° | 109.4° |
| H23 | C | H25 | 109.5° | 109.5° |
| H24 | C | H25 | 109.5° | 109.5° |
| H27 | C18 | H28 | 109.5° | 109.1° |
| H33 | C11 | H34 | 109.5° | 109.5° |
| H33 | C11 | H35 | 109.5° | 109.5° |
| H34 | C11 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C24 | F2 | F | 112.8° | 120.0° |
| F1 | C24 | F2 | C23 | 123.7° | 120.0° |
| F1 | C24 | F | C23 | 123.8° | 120.0° |
| F1 | C24 | C23 | C22 | 53.8° | 60.0° |
| F1 | C24 | C23 | H21 | 66.7° | 180.0° |
| F1 | C24 | C23 | H22 | 174.3° | 60.0° |
| F2 | C24 | F | C23 | 123.2° | 120.0° |
| F2 | C24 | C23 | C22 | 173.9° | 180.0° |
| F2 | C24 | C23 | H21 | 53.3° | 60.0° |
| F2 | C24 | C23 | H22 | 65.6° | 60.1° |
| F | C24 | C23 | C22 | 66.1° | 60.0° |
| F | C24 | C23 | H21 | 173.4° | 60.0° |
| F | C24 | C23 | H22 | 54.4° | 180.0° |
| C24 | C23 | C22 | H21 | 120.5° | 120.0° |
| C24 | C23 | C22 | H22 | 120.5° | 119.9° |
| C24 | C23 | C22 | C21 | 173.5° | 180.0° |
| C24 | C23 | C22 | H19 | 66.6° | 60.0° |
| C24 | C23 | C22 | H20 | 53.5° | 60.1° |
| C24 | C23 | H21 | H22 | 118.4° | 120.0° |
| C23 | C22 | C21 | H19 | 119.9° | 120.0° |
| C23 | C22 | C21 | H20 | 119.9° | 120.0° |
| C23 | C22 | C21 | N2 | 75.2° | 180.0° |
| C23 | C22 | C21 | H17 | 164.4° | 60.0° |
| C23 | C22 | C21 | H18 | 45.2° | 60.0° |
| C23 | C22 | H19 | H20 | 120.2° | 120.1° |
| C22 | C23 | H21 | H22 | 118.4° | 120.1° |
| C22 | C21 | N2 | H17 | 120.4° | 120.0° |
| C22 | C21 | N2 | H18 | 120.4° | 120.0° |
| C22 | C21 | N2 | C20 | 103.1° | 180.0° |
| C22 | C21 | N2 | H2 | 76.9° | 0.0° |
| C22 | C21 | H17 | H18 | 118.8° | 120.0° |
| C21 | C22 | H19 | H20 | 120.2° | 120.0° |
| C21 | C22 | C23 | H21 | 53.0° | 60.0° |
| C21 | C22 | C23 | H22 | 66.0° | 60.1° |
| C11 | O1 | C10 | C12 | 174.9° | 180.0° |
| C11 | O1 | C10 | C9 | 4.2° | 0.3° |
| O1 | C11 | H33 | H34 | 120.0° | 120.0° |
| O1 | C11 | H33 | H35 | 120.0° | 120.0° |
| O1 | C11 | H34 | H35 | 120.0° | 120.0° |
| O1 | C10 | C12 | C13 | 1.5° | 0.0° |
| O1 | C10 | C12 | C9 | 179.2° | 179.7° |
| O1 | C10 | C12 | C17 | 179.1° | 180.0° |
| O1 | C10 | C9 | C8 | 178.4° | 180.0° |
| O1 | C10 | C9 | H3 | 1.6° | 0.0° |
| C10 | O1 | C11 | H33 | 180.0° | 60.0° |
| C10 | O1 | C11 | H34 | 60.0° | 60.0° |
| C10 | O1 | C11 | H35 | 60.0° | 179.9° |
| C21 | N2 | C20 | O2 | 4.4° | 5.0° |
| C21 | N2 | C20 | H2 | 180.0° | 179.9° |
| C21 | N2 | C20 | N1 | 175.4° | 175.0° |
| N2 | C21 | H17 | H18 | 118.8° | 120.0° |
| N2 | C21 | C22 | H19 | 44.8° | 60.0° |
| N2 | C21 | C22 | H20 | 164.9° | 60.0° |
| C14 | C13 | C12 | H32 | 180.0° | 179.9° |
| C13 | C14 | C15 | H31 | 180.0° | 179.9° |
| C14 | C13 | C12 | C10 | 178.6° | 179.9° |
| C14 | C13 | C12 | C17 | 0.8° | 0.1° |
| C13 | C14 | C15 | C16 | 0.2° | 0.1° |
| C13 | C14 | C15 | H30 | 179.8° | 180.0° |
| C12 | C13 | C14 | C15 | 0.4° | 0.1° |
| C13 | C12 | C10 | C17 | 179.4° | 180.0° |
| C13 | C12 | C10 | C9 | 179.3° | 179.7° |
| C13 | C12 | C17 | C16 | 0.8° | 0.0° |
| C13 | C12 | C17 | C7 | 179.7° | 180.0° |
| C12 | C13 | C14 | H31 | 179.6° | 180.0° |
| C14 | C15 | C16 | H30 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.0° |
| C14 | C15 | C16 | H29 | 179.8° | 180.0° |
| C15 | C14 | C13 | H32 | 179.6° | 180.0° |
| O2 | C20 | N2 | N1 | 179.7° | 180.0° |
| O2 | C20 | N1 | C19 | 15.3° | 175.3° |
| O2 | C20 | N1 | C25 | 159.0° | 5.1° |
| O2 | C20 | N2 | H2 | 175.6° | 175.0° |
| C12 | C10 | C9 | C8 | 0.7° | 0.3° |
| C10 | C12 | C17 | C16 | 178.6° | 180.0° |
| C10 | C12 | C17 | C7 | 0.9° | 0.1° |
| C12 | C10 | C9 | H3 | 179.3° | 179.8° |
| C10 | C12 | C13 | H32 | 1.4° | 0.0° |
| C9 | C10 | C12 | C17 | 0.1° | 0.2° |
| C10 | C9 | C8 | H3 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.3° | 0.0° |
| C10 | C9 | C8 | H1 | 179.8° | 180.0° |
| C12 | C17 | C16 | C15 | 0.3° | 0.0° |
| C12 | C17 | C16 | C7 | 179.5° | 180.0° |
| C12 | C17 | C7 | C8 | 1.3° | 0.3° |
| C12 | C17 | C7 | C6 | 177.9° | 179.9° |
| C12 | C17 | C16 | H29 | 179.7° | 180.0° |
| C17 | C12 | C13 | H32 | 179.1° | 180.0° |
| N2 | C20 | N1 | C19 | 165.0° | 4.7° |
| N2 | C20 | N1 | C25 | 21.3° | 174.9° |
| C20 | N2 | C21 | H17 | 136.6° | 60.1° |
| C20 | N2 | C21 | H18 | 17.3° | 60.0° |
| C20 | N1 | C19 | C25 | 146.5° | 179.6° |
| C20 | N1 | C19 | C18 | 140.7° | 91.1° |
| C20 | N1 | C19 | N3 | 103.7° | 148.8° |
| C20 | N1 | C25 | C26 | 78.7° | 123.5° |
| N1 | C20 | N2 | H2 | 4.6° | 5.0° |
| C20 | N1 | C25 | H15 | 161.1° | 116.9° |
| C20 | N1 | C25 | H16 | 41.5° | 4.0° |
| C20 | N1 | C19 | H26 | 19.2° | 28.6° |
| C15 | C16 | C17 | H29 | 180.0° | 180.0° |
| C15 | C16 | C17 | C7 | 179.8° | 180.0° |
| C16 | C15 | C14 | H31 | 179.8° | 180.0° |
| C9 | C8 | C7 | C17 | 0.8° | 0.3° |
| C9 | C8 | C7 | H1 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 178.5° | 179.9° |
| C16 | C17 | C7 | C8 | 178.2° | 179.7° |
| C16 | C17 | C7 | C6 | 2.6° | 0.1° |
| C17 | C16 | C15 | H30 | 179.8° | 180.0° |
| C17 | C7 | C8 | C6 | 179.2° | 179.6° |
| C17 | C7 | C6 | N | 72.2° | 81.8° |
| C17 | C7 | C8 | H1 | 179.2° | 179.7° |
| C17 | C7 | C6 | H6 | 48.4° | 38.3° |
| C17 | C7 | C6 | H7 | 167.1° | 158.2° |
| C7 | C17 | C16 | H29 | 0.2° | 0.0° |
| C2 | C1 | C | H4 | 120.7° | 120.0° |
| C2 | C1 | C | H5 | 120.6° | 120.0° |
| C1 | C2 | C3 | C4 | 124.7° | 120.0° |
| C1 | C2 | C3 | H12 | 118.0° | 119.9° |
| C1 | C2 | C4 | H12 | 118.2° | 120.0° |
| C1 | C2 | C4 | N3 | 42.4° | 54.1° |
| C1 | C2 | C4 | C5 | 163.1° | 173.4° |
| C2 | C1 | H4 | H5 | 118.0° | 119.9° |
| C1 | C2 | C4 | H8 | 78.9° | 66.3° |
| C1 | C2 | C3 | H9 | 180.0° | 56.3° |
| C1 | C2 | C3 | H10 | 60.0° | 63.7° |
| C1 | C2 | C3 | H11 | 60.0° | 176.2° |
| C2 | C1 | C | H23 | 180.0° | 180.0° |
| C2 | C1 | C | H24 | 60.0° | 60.0° |
| C2 | C1 | C | H25 | 60.0° | 60.0° |
| C | C1 | C2 | C3 | 60.8° | 65.0° |
| C | C1 | C2 | C4 | 63.1° | 175.0° |
| C | C1 | H4 | H5 | 118.0° | 120.0° |
| C | C1 | C2 | H12 | 178.8° | 55.0° |
| C1 | C | H23 | H24 | 120.0° | 120.0° |
| C1 | C | H23 | H25 | 120.0° | 120.0° |
| C1 | C | H24 | H25 | 120.0° | 120.0° |
| N1 | C19 | C18 | N3 | 117.4° | 121.8° |
| N1 | C19 | C18 | H26 | 122.3° | 119.7° |
| N1 | C19 | N3 | H26 | 123.0° | 120.6° |
| N1 | C19 | C18 | N | 172.6° | 168.7° |
| C19 | N1 | C25 | C26 | 65.9° | 56.8° |
| N1 | C19 | N3 | C4 | 172.2° | 177.5° |
| N1 | C19 | N3 | C27 | 12.1° | 2.7° |
| C19 | N1 | C25 | H15 | 54.3° | 62.7° |
| C19 | N1 | C25 | H16 | 174.0° | 176.4° |
| N1 | C19 | C18 | H27 | 67.7° | 71.0° |
| N1 | C19 | C18 | H28 | 53.0° | 48.3° |
| C25 | N1 | C19 | C18 | 72.8° | 88.5° |
| C25 | N1 | C19 | N3 | 42.9° | 31.5° |
| N1 | C25 | C26 | H15 | 120.2° | 119.6° |
| N1 | C25 | C26 | H16 | 120.1° | 119.5° |
| N1 | C25 | C26 | C27 | 51.8° | 50.8° |
| N1 | C25 | C26 | H13 | 171.8° | 69.1° |
| N1 | C25 | C26 | H14 | 68.2° | 170.6° |
| N1 | C25 | H15 | H16 | 119.5° | 120.9° |
| C25 | N1 | C19 | H26 | 165.8° | 151.8° |
| C8 | C7 | C6 | N | 107.0° | 97.9° |
| C7 | C8 | C9 | H3 | 179.7° | 180.0° |
| C8 | C7 | C6 | H6 | 132.4° | 142.1° |
| C8 | C7 | C6 | H7 | 13.6° | 22.1° |
| C18 | C19 | N3 | H26 | 119.5° | 118.8° |
| C19 | C18 | N | H27 | 119.6° | 120.3° |
| C19 | C18 | N | H28 | 119.6° | 120.3° |
| C18 | C19 | N3 | C4 | 70.2° | 61.9° |
| C18 | C19 | N3 | C27 | 105.4° | 117.9° |
| C19 | C18 | N | C6 | 157.0° | 158.5° |
| C19 | C18 | N | C5 | 37.5° | 21.6° |
| C19 | C18 | H27 | H28 | 121.2° | 119.4° |
| C19 | N3 | C4 | C2 | 64.9° | 76.7° |
| N3 | C19 | C18 | N | 55.2° | 46.9° |
| C19 | N3 | C4 | C27 | 176.1° | 179.8° |
| C19 | N3 | C4 | C5 | 56.4° | 43.1° |
| C19 | N3 | C27 | C26 | 2.6° | 3.4° |
| C19 | N3 | C27 | O3 | 176.3° | 176.6° |
| C19 | N3 | C4 | H8 | 174.4° | 162.9° |
| N3 | C19 | C18 | H27 | 174.8° | 167.2° |
| N3 | C19 | C18 | H28 | 64.4° | 73.5° |
| C3 | C2 | C4 | H12 | 117.4° | 120.0° |
| C3 | C2 | C4 | N3 | 166.8° | 174.1° |
| C3 | C2 | C4 | C5 | 72.4° | 66.6° |
| C3 | C2 | C1 | H4 | 178.6° | 55.1° |
| C3 | C2 | C1 | H5 | 59.9° | 175.0° |
| C3 | C2 | C4 | H8 | 45.6° | 53.8° |
| C2 | C3 | H9 | H10 | 120.0° | 120.0° |
| C2 | C3 | H9 | H11 | 120.0° | 120.0° |
| C2 | C3 | H10 | H11 | 120.0° | 120.0° |
| C2 | C4 | N3 | C5 | 121.2° | 119.8° |
| C2 | C4 | N3 | H8 | 120.7° | 120.4° |
| C2 | C4 | N3 | C27 | 119.0° | 103.5° |
| C2 | C4 | C5 | N | 91.1° | 106.9° |
| C2 | C4 | C5 | H8 | 117.8° | 120.4° |
| C2 | C4 | C5 | O | 88.4° | 73.2° |
| C4 | C2 | C1 | H4 | 57.6° | 65.0° |
| C4 | C2 | C1 | H5 | 176.2° | 54.9° |
| C4 | C2 | C3 | H9 | 55.2° | 63.8° |
| C4 | C2 | C3 | H10 | 64.7° | 176.2° |
| C4 | C2 | C3 | H11 | 175.3° | 56.2° |
| C7 | C6 | N | C18 | 65.2° | 91.2° |
| C7 | C6 | N | H6 | 120.6° | 120.0° |
| C7 | C6 | N | H7 | 120.6° | 120.1° |
| C7 | C6 | N | C5 | 128.5° | 88.7° |
| C6 | C7 | C8 | H1 | 1.6° | 0.1° |
| C7 | C6 | H6 | H7 | 118.0° | 120.0° |
| C18 | N | C6 | C5 | 166.3° | 179.9° |
| C18 | N | C5 | C4 | 26.8° | 4.2° |
| C18 | N | C5 | O | 153.6° | 175.7° |
| C18 | N | C6 | H6 | 174.2° | 28.8° |
| C18 | N | C6 | H7 | 55.4° | 148.7° |
| N | C18 | C19 | H26 | 65.1° | 71.6° |
| N | C18 | H27 | H28 | 121.1° | 119.5° |
| C25 | C26 | C27 | N3 | 21.8° | 28.5° |
| C25 | C26 | C27 | H13 | 120.0° | 119.9° |
| C25 | C26 | C27 | H14 | 120.0° | 119.9° |
| C25 | C26 | C27 | O3 | 157.1° | 151.5° |
| C25 | C26 | H13 | H14 | 120.0° | 120.2° |
| C26 | C25 | H15 | H16 | 119.5° | 120.8° |
| N3 | C4 | C5 | N | 32.6° | 12.9° |
| N3 | C4 | C5 | H8 | 118.5° | 119.8° |
| C4 | N3 | C27 | C26 | 177.9° | 176.8° |
| C4 | N3 | C27 | O3 | 0.9° | 3.2° |
| N3 | C4 | C5 | O | 147.8° | 167.0° |
| N3 | C4 | C2 | H12 | 75.8° | 65.9° |
| C4 | N3 | C19 | H26 | 49.2° | 56.9° |
| C27 | N3 | C4 | C5 | 119.7° | 136.7° |
| N3 | C27 | C26 | O3 | 178.8° | 180.0° |
| C27 | N3 | C4 | H8 | 1.7° | 16.9° |
| N3 | C27 | C26 | H13 | 141.8° | 91.4° |
| N3 | C27 | C26 | H14 | 98.2° | 148.4° |
| C27 | N3 | C19 | H26 | 135.1° | 123.3° |
| C6 | N | C5 | C4 | 168.2° | 175.8° |
| C6 | N | C5 | O | 11.3° | 4.2° |
| N | C6 | H6 | H7 | 118.1° | 119.9° |
| C6 | N | C18 | H27 | 37.4° | 38.2° |
| C6 | N | C18 | H28 | 83.4° | 81.2° |
| N | C5 | C4 | O | 179.6° | 179.9° |
| C5 | N | C6 | H6 | 7.8° | 151.3° |
| C5 | N | C6 | H7 | 110.9° | 31.4° |
| N | C5 | C4 | H8 | 151.1° | 132.7° |
| C5 | N | C18 | H27 | 157.1° | 141.9° |
| C5 | N | C18 | H28 | 82.2° | 98.7° |
| C5 | C4 | C2 | H12 | 44.9° | 53.4° |
| C27 | C26 | H13 | H14 | 120.0° | 120.2° |
| C27 | C26 | C25 | H15 | 68.4° | 68.8° |
| C27 | C26 | C25 | H16 | 171.9° | 170.3° |
| O3 | C27 | C26 | H13 | 37.1° | 88.6° |
| O3 | C27 | C26 | H14 | 82.9° | 31.6° |
| O | C5 | C4 | H8 | 29.4° | 47.2° |
| H1 | C8 | C9 | H3 | 0.2° | 0.0° |
| H2 | N2 | C21 | H17 | 43.4° | 120.0° |
| H2 | N2 | C21 | H18 | 162.7° | 120.0° |
| H4 | C1 | C2 | H12 | 60.5° | 175.0° |
| H4 | C1 | C | H23 | 59.3° | 60.0° |
| H4 | C1 | C | H24 | 179.3° | 180.0° |
| H4 | C1 | C | H25 | 60.7° | 60.0° |
| H5 | C1 | C2 | H12 | 58.2° | 65.1° |
| H5 | C1 | C | H23 | 59.4° | 59.9° |
| H5 | C1 | C | H24 | 60.7° | 60.0° |
| H5 | C1 | C | H25 | 179.4° | 180.0° |
| H8 | C4 | C2 | H12 | 163.0° | 173.8° |
| H9 | C3 | H10 | H11 | 120.0° | 120.0° |
| H9 | C3 | C2 | H12 | 62.0° | 176.2° |
| H10 | C3 | C2 | H12 | 178.0° | 56.2° |
| H11 | C3 | C2 | H12 | 58.0° | 63.8° |
| H13 | C26 | C25 | H15 | 51.6° | 171.3° |
| H13 | C26 | C25 | H16 | 68.1° | 50.4° |
| H14 | C26 | C25 | H15 | 171.6° | 51.1° |
| H14 | C26 | C25 | H16 | 51.9° | 69.8° |
| H17 | C21 | C22 | H19 | 75.6° | 180.0° |
| H17 | C21 | C22 | H20 | 44.5° | 59.9° |
| H18 | C21 | C22 | H19 | 165.1° | 60.0° |
| H18 | C21 | C22 | H20 | 74.7° | 180.0° |
| H19 | C22 | C23 | H21 | 172.9° | 180.0° |
| H19 | C22 | C23 | H22 | 53.9° | 59.9° |
| H20 | C22 | C23 | H21 | 67.0° | 59.9° |
| H20 | C22 | C23 | H22 | 174.0° | 180.0° |
| H23 | C | H24 | H25 | 120.0° | 120.0° |
| H26 | C19 | C18 | H27 | 54.6° | 48.7° |
| H26 | C19 | C18 | H28 | 175.3° | 168.0° |
| H29 | C16 | C15 | H30 | 0.2° | 0.0° |
| H30 | C15 | C14 | H31 | 0.1° | 0.1° |
| H31 | C14 | C13 | H32 | 0.4° | 0.1° |
| H33 | C11 | H34 | H35 | 120.0° | 120.1° |
