A1JCE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| O1 | C2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C3 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.51Å | 1.49Å | |
| C6 | C30 | sing | 1.53Å | 1.51Å | |
| C9 | N1 | sing | 1.47Å | 1.47Å | |
| O3 | C10 | doub | 1.22Å | 1.23Å | |
| N1 | C10 | sing | 1.35Å | 1.36Å | |
| N1 | C30 | sing | 1.47Å | 1.47Å | |
| C10 | C11 | sing | 1.47Å | 1.47Å | |
| C28 | C11 | doub | 1.37Å | 1.36Å | Aromatic |
| C28 | O4 | sing | 1.34Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.47Å | 1.43Å | Aromatic |
| O4 | C13 | sing | 1.35Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.35Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.46Å | |
| C14 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | F1 | sing | 1.35Å | 1.36Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C22 | sing | 1.53Å | 1.54Å | |
| C18 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | N2 | sing | 1.40Å | 1.42Å | |
| C25 | C22 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C26 | N4 | sing | 1.47Å | 1.47Å | |
| N2 | C19 | sing | 1.38Å | 1.30Å | |
| C19 | N4 | sing | 1.38Å | 1.35Å | |
| C19 | N3 | doub | 1.30Å | 1.32Å | |
| N4 | C20 | sing | 1.47Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| N3 | H23 | sing | 0.97Å | 1.00Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.08Å | 1.08Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 114.8° | 114.0° |
| O1 | C1 | H1 | 109.5° | 109.4° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C2 | C3 | 111.2° | 109.4° |
| O1 | C2 | H4 | 109.0° | 109.4° |
| O1 | C2 | H5 | 109.0° | 109.5° |
| C2 | C3 | O2 | 109.8° | 109.5° |
| C3 | C2 | H4 | 109.0° | 109.5° |
| C3 | C2 | H5 | 109.0° | 109.5° |
| C2 | C3 | H6 | 109.4° | 109.5° |
| C2 | C3 | H7 | 109.4° | 109.5° |
| C3 | O2 | C4 | 117.6° | 114.0° |
| O2 | C3 | H6 | 109.4° | 109.5° |
| O2 | C3 | H7 | 109.4° | 109.5° |
| O2 | C4 | C5 | 121.4° | 109.5° |
| O2 | C4 | H8 | 106.4° | 109.4° |
| O2 | C4 | H9 | 106.4° | 109.5° |
| C4 | C5 | C6 | 124.8° | 109.5° |
| C5 | C4 | H8 | 106.4° | 109.5° |
| C5 | C4 | H9 | 106.4° | 109.5° |
| C4 | C5 | H10 | 105.5° | 109.5° |
| C4 | C5 | H11 | 105.5° | 109.5° |
| C5 | C6 | C7 | 112.4° | 109.5° |
| C5 | C6 | C30 | 112.1° | 109.5° |
| C6 | C5 | H10 | 105.5° | 109.5° |
| C6 | C5 | H11 | 105.5° | 109.4° |
| C5 | C6 | H12 | 107.2° | 109.5° |
| C7 | C8 | C9 | 112.3° | 109.3° |
| C8 | C7 | C6 | 112.5° | 109.5° |
| C8 | C7 | H13 | 108.7° | 109.4° |
| C8 | C7 | H14 | 108.7° | 109.5° |
| C7 | C8 | H15 | 108.7° | 109.5° |
| C7 | C8 | H16 | 108.7° | 109.5° |
| C8 | C9 | N1 | 111.5° | 108.8° |
| C9 | C8 | H15 | 108.8° | 109.5° |
| C9 | C8 | H16 | 108.7° | 109.5° |
| C8 | C9 | H17 | 109.0° | 109.6° |
| C8 | C9 | H18 | 109.0° | 109.5° |
| C7 | C6 | C30 | 110.3° | 109.3° |
| C7 | C6 | H12 | 107.2° | 109.6° |
| C6 | C7 | H13 | 108.7° | 109.5° |
| C6 | C7 | H14 | 108.7° | 109.5° |
| C29 | C28 | C11 | 135.1° | 125.7° |
| C29 | C28 | O4 | 115.9° | 125.7° |
| C28 | C29 | H39 | 109.5° | 109.5° |
| C28 | C29 | H40 | 109.5° | 109.5° |
| C28 | C29 | H41 | 109.4° | 109.5° |
| C6 | C30 | N1 | 111.2° | 108.8° |
| C30 | C6 | H12 | 107.4° | 109.5° |
| C6 | C30 | H42 | 109.0° | 109.6° |
| C6 | C30 | H43 | 109.0° | 109.6° |
| C9 | N1 | C10 | 124.7° | 120.6° |
| C9 | N1 | C30 | 112.1° | 118.7° |
| N1 | C9 | H17 | 108.9° | 109.7° |
| N1 | C9 | H18 | 109.0° | 109.6° |
| O3 | C10 | N1 | 120.0° | 120.0° |
| O3 | C10 | C11 | 115.4° | 120.0° |
| C10 | N1 | C30 | 123.1° | 120.6° |
| N1 | C10 | C11 | 124.3° | 120.0° |
| N1 | C30 | H42 | 109.0° | 109.6° |
| N1 | C30 | H43 | 109.1° | 109.6° |
| C10 | C11 | C28 | 129.8° | 127.1° |
| C10 | C11 | C12 | 123.3° | 127.1° |
| C11 | C28 | O4 | 109.0° | 108.6° |
| C28 | C11 | C12 | 106.7° | 105.8° |
| C28 | O4 | C13 | 108.0° | 110.9° |
| C11 | C12 | C13 | 107.5° | 105.9° |
| C11 | C12 | H19 | 126.2° | 127.0° |
| O4 | C13 | C12 | 108.7° | 108.8° |
| O4 | C13 | C14 | 117.6° | 125.6° |
| C12 | C13 | C14 | 133.6° | 125.6° |
| C13 | C12 | H19 | 126.2° | 127.1° |
| C13 | C14 | C15 | 121.1° | 120.1° |
| C13 | C14 | C27 | 119.3° | 120.1° |
| C15 | C14 | C27 | 119.6° | 119.8° |
| C14 | C15 | C16 | 118.7° | 119.9° |
| C14 | C15 | H20 | 120.6° | 120.0° |
| C14 | C27 | C18 | 120.8° | 119.8° |
| C14 | C27 | H38 | 119.6° | 120.1° |
| C15 | C16 | F1 | 119.4° | 119.9° |
| C15 | C16 | C17 | 122.2° | 120.2° |
| C16 | C15 | H20 | 120.6° | 120.1° |
| C27 | C18 | C17 | 119.1° | 120.0° |
| C27 | C18 | N2 | 122.8° | 120.0° |
| C18 | C27 | H38 | 119.6° | 120.0° |
| F1 | C16 | C17 | 118.3° | 119.9° |
| C16 | C17 | C18 | 119.4° | 120.2° |
| C16 | C17 | H21 | 120.3° | 119.9° |
| C24 | C22 | C25 | 109.8° | 109.4° |
| C24 | C22 | C21 | 107.4° | 109.5° |
| C24 | C22 | C23 | 108.2° | 109.5° |
| C22 | C24 | H31 | 109.5° | 109.5° |
| C22 | C24 | H32 | 109.5° | 109.4° |
| C22 | C24 | H33 | 109.5° | 109.5° |
| C17 | C18 | N2 | 118.0° | 120.0° |
| C18 | C17 | H21 | 120.3° | 119.9° |
| C18 | N2 | C19 | 126.9° | 120.0° |
| C18 | N2 | H22 | 116.5° | 120.0° |
| C22 | C25 | C26 | 115.2° | 109.4° |
| C25 | C22 | C21 | 108.6° | 109.5° |
| C25 | C22 | C23 | 110.9° | 109.4° |
| C22 | C25 | H34 | 108.0° | 109.5° |
| C22 | C25 | H35 | 108.1° | 109.5° |
| C25 | C26 | N4 | 114.4° | 109.0° |
| C26 | C25 | H34 | 108.0° | 109.6° |
| C26 | C25 | H35 | 108.0° | 109.3° |
| C25 | C26 | H36 | 108.2° | 109.6° |
| C25 | C26 | H37 | 108.2° | 109.6° |
| C21 | C22 | C23 | 111.9° | 109.5° |
| C22 | C21 | C20 | 112.1° | 109.3° |
| C22 | C21 | H26 | 108.8° | 109.5° |
| C22 | C21 | H27 | 108.8° | 109.5° |
| C22 | C23 | H28 | 109.5° | 109.4° |
| C22 | C23 | H29 | 109.5° | 109.5° |
| C22 | C23 | H30 | 109.5° | 109.4° |
| C21 | C20 | N4 | 110.7° | 108.8° |
| C21 | C20 | H24 | 109.1° | 109.6° |
| C21 | C20 | H25 | 109.2° | 109.7° |
| C20 | C21 | H26 | 108.8° | 109.5° |
| C20 | C21 | H27 | 108.8° | 109.5° |
| C26 | N4 | C19 | 122.0° | 120.6° |
| C26 | N4 | C20 | 115.9° | 118.8° |
| N4 | C26 | H36 | 108.2° | 109.7° |
| N4 | C26 | H37 | 108.2° | 109.3° |
| N2 | C19 | N4 | 124.5° | 120.0° |
| N2 | C19 | N3 | 122.5° | 120.0° |
| C19 | N2 | H22 | 116.5° | 120.0° |
| N4 | C19 | N3 | 112.8° | 120.0° |
| C19 | N4 | C20 | 121.6° | 120.6° |
| C19 | N3 | H23 | 112.0° | 120.0° |
| N4 | C20 | H24 | 109.2° | 109.6° |
| N4 | C20 | H25 | 109.2° | 109.6° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.4° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.4° | 109.5° |
| H13 | C7 | H14 | 109.5° | 109.4° |
| H15 | C8 | H16 | 109.5° | 109.5° |
| H17 | C9 | H18 | 109.4° | 109.7° |
| H24 | C20 | H25 | 109.5° | 109.5° |
| H26 | C21 | H27 | 109.5° | 109.5° |
| H28 | C23 | H29 | 109.5° | 109.5° |
| H28 | C23 | H30 | 109.5° | 109.5° |
| H29 | C23 | H30 | 109.5° | 109.5° |
| H31 | C24 | H32 | 109.5° | 109.5° |
| H31 | C24 | H33 | 109.5° | 109.5° |
| H32 | C24 | H33 | 109.5° | 109.4° |
| H34 | C25 | H35 | 109.5° | 109.5° |
| H36 | C26 | H37 | 109.5° | 109.7° |
| H39 | C29 | H40 | 109.5° | 109.5° |
| H39 | C29 | H41 | 109.5° | 109.4° |
| H40 | C29 | H41 | 109.5° | 109.5° |
| H42 | C30 | H43 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 109.3° | 180.0° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | O1 | C2 | H4 | 130.4° | 60.1° |
| C1 | O1 | C2 | H5 | 10.9° | 60.0° |
| O1 | C2 | C3 | H4 | 120.3° | 119.9° |
| O1 | C2 | C3 | H5 | 120.3° | 120.0° |
| O1 | C2 | C3 | O2 | 94.2° | 65.0° |
| C2 | O1 | C1 | H1 | 180.0° | 180.0° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.1° |
| O1 | C2 | H4 | H5 | 119.2° | 120.0° |
| O1 | C2 | C3 | H6 | 145.7° | 175.0° |
| O1 | C2 | C3 | H7 | 25.8° | 55.0° |
| C2 | C3 | O2 | H6 | 120.1° | 120.0° |
| C2 | C3 | O2 | H7 | 120.1° | 120.0° |
| C2 | C3 | O2 | C4 | 115.6° | 180.0° |
| C3 | C2 | H4 | H5 | 119.2° | 120.1° |
| C2 | C3 | H6 | H7 | 119.8° | 120.0° |
| C3 | O2 | C4 | C5 | 163.3° | 180.0° |
| O2 | C3 | C2 | H4 | 26.0° | 54.9° |
| O2 | C3 | C2 | H5 | 145.5° | 175.0° |
| O2 | C3 | H6 | H7 | 119.8° | 120.0° |
| C3 | O2 | C4 | H8 | 75.0° | 60.0° |
| C3 | O2 | C4 | H9 | 41.7° | 60.0° |
| O2 | C4 | C5 | H8 | 121.6° | 120.0° |
| O2 | C4 | C5 | H9 | 121.7° | 120.0° |
| O2 | C4 | C5 | C6 | 140.1° | 180.0° |
| C4 | O2 | C3 | H6 | 124.3° | 60.0° |
| C4 | O2 | C3 | H7 | 4.4° | 60.0° |
| O2 | C4 | H8 | H9 | 114.7° | 120.0° |
| O2 | C4 | C5 | H10 | 97.8° | 60.0° |
| O2 | C4 | C5 | H11 | 18.0° | 60.0° |
| C4 | C5 | C6 | H10 | 122.1° | 120.1° |
| C4 | C5 | C6 | H11 | 122.1° | 120.0° |
| C4 | C5 | C6 | C7 | 53.2° | 175.2° |
| C4 | C5 | C6 | C30 | 71.7° | 65.0° |
| C5 | C4 | H8 | H9 | 114.6° | 120.0° |
| C4 | C5 | H10 | H11 | 113.1° | 120.0° |
| C4 | C5 | C6 | H12 | 170.7° | 55.0° |
| C5 | C6 | C7 | C8 | 75.0° | 178.7° |
| C5 | C6 | C7 | C30 | 125.9° | 119.9° |
| C5 | C6 | C7 | H12 | 117.5° | 120.1° |
| C5 | C6 | C30 | H12 | 117.4° | 120.0° |
| C5 | C6 | C30 | N1 | 69.7° | 174.6° |
| C6 | C5 | C4 | H8 | 18.5° | 60.0° |
| C6 | C5 | C4 | H9 | 98.3° | 60.1° |
| C6 | C5 | H10 | H11 | 113.1° | 120.0° |
| C5 | C6 | C7 | H13 | 164.6° | 61.3° |
| C5 | C6 | C7 | H14 | 45.5° | 58.7° |
| C5 | C6 | C30 | H42 | 170.0° | 65.6° |
| C5 | C6 | C30 | H43 | 50.5° | 54.8° |
| C7 | C8 | C9 | H15 | 120.4° | 120.0° |
| C7 | C8 | C9 | H16 | 120.4° | 120.0° |
| C8 | C7 | C6 | H13 | 120.4° | 120.0° |
| C8 | C7 | C6 | H14 | 120.5° | 120.0° |
| C8 | C7 | C6 | C30 | 50.9° | 61.4° |
| C7 | C8 | C9 | N1 | 51.0° | 54.6° |
| C8 | C7 | C6 | H12 | 167.5° | 58.7° |
| C8 | C7 | H13 | H14 | 118.7° | 119.9° |
| C7 | C8 | H15 | H16 | 118.7° | 120.0° |
| C7 | C8 | C9 | H17 | 171.3° | 65.2° |
| C7 | C8 | C9 | H18 | 69.3° | 174.4° |
| C9 | C8 | C7 | C6 | 48.7° | 61.4° |
| C8 | C9 | N1 | H17 | 120.3° | 119.8° |
| C8 | C9 | N1 | H18 | 120.3° | 119.7° |
| C8 | C9 | N1 | C10 | 126.3° | 126.4° |
| C8 | C9 | N1 | C30 | 57.0° | 53.6° |
| C9 | C8 | C7 | H13 | 71.7° | 58.7° |
| C9 | C8 | C7 | H14 | 169.1° | 178.6° |
| C9 | C8 | H15 | H16 | 118.7° | 120.1° |
| C8 | C9 | H17 | H18 | 119.1° | 120.3° |
| C7 | C6 | C30 | H12 | 116.5° | 120.1° |
| C7 | C6 | C30 | N1 | 56.3° | 54.7° |
| C7 | C6 | C5 | H10 | 68.9° | 64.8° |
| C7 | C6 | C5 | H11 | 175.3° | 55.2° |
| C6 | C7 | H13 | H14 | 118.6° | 120.0° |
| C6 | C7 | C8 | H15 | 71.7° | 178.6° |
| C6 | C7 | C8 | H16 | 169.1° | 58.6° |
| C7 | C6 | C30 | H42 | 63.9° | 174.5° |
| C7 | C6 | C30 | H43 | 176.6° | 65.1° |
| C29 | C28 | C11 | C10 | 5.5° | 0.0° |
| C29 | C28 | C11 | O4 | 177.1° | 179.9° |
| C29 | C28 | C11 | C12 | 179.9° | 179.8° |
| C29 | C28 | O4 | C13 | 178.5° | 179.7° |
| C28 | C29 | H39 | H40 | 120.0° | 120.1° |
| C28 | C29 | H39 | H41 | 120.0° | 120.0° |
| C28 | C29 | H40 | H41 | 120.0° | 120.0° |
| C6 | C30 | N1 | C9 | 60.3° | 53.7° |
| C6 | C30 | N1 | C10 | 122.9° | 126.4° |
| C6 | C30 | N1 | H42 | 120.2° | 119.8° |
| C6 | C30 | N1 | H43 | 120.2° | 119.8° |
| C30 | C6 | C5 | H10 | 166.2° | 55.0° |
| C30 | C6 | C5 | H11 | 50.4° | 175.0° |
| C30 | C6 | C7 | H13 | 69.5° | 58.6° |
| C30 | C6 | C7 | H14 | 171.4° | 178.6° |
| C6 | C30 | H42 | H43 | 119.2° | 120.4° |
| C9 | N1 | C10 | O3 | 0.0° | 178.3° |
| C9 | N1 | C10 | C30 | 176.3° | 179.9° |
| C9 | N1 | C10 | C11 | 174.1° | 1.7° |
| N1 | C9 | C8 | H15 | 69.4° | 174.6° |
| N1 | C9 | C8 | H16 | 171.4° | 65.3° |
| N1 | C9 | H17 | H18 | 119.1° | 120.4° |
| C9 | N1 | C30 | H42 | 59.9° | 173.5° |
| C9 | N1 | C30 | H43 | 179.4° | 66.2° |
| O3 | C10 | N1 | C11 | 174.1° | 179.9° |
| O3 | C10 | N1 | C30 | 176.3° | 1.8° |
| O3 | C10 | C11 | C28 | 111.8° | 42.1° |
| O3 | C10 | C11 | C12 | 61.7° | 138.2° |
| N1 | C10 | C11 | C28 | 73.9° | 137.8° |
| N1 | C10 | C11 | C12 | 112.6° | 41.9° |
| C10 | N1 | C9 | H17 | 6.0° | 113.8° |
| C10 | N1 | C9 | H18 | 113.4° | 6.7° |
| C10 | N1 | C30 | H42 | 116.8° | 6.6° |
| C10 | N1 | C30 | H43 | 2.7° | 113.8° |
| C30 | N1 | C10 | C11 | 2.2° | 178.3° |
| N1 | C30 | C6 | H12 | 172.8° | 65.4° |
| C30 | N1 | C9 | H17 | 177.4° | 66.1° |
| C30 | N1 | C9 | H18 | 63.3° | 173.4° |
| N1 | C30 | H42 | H43 | 119.3° | 120.3° |
| C10 | C11 | C28 | C12 | 174.4° | 179.8° |
| C10 | C11 | C28 | O4 | 177.4° | 179.9° |
| C10 | C11 | C12 | C13 | 175.9° | 180.0° |
| C10 | C11 | C12 | H19 | 4.1° | 0.0° |
| C11 | C28 | O4 | C13 | 3.8° | 0.4° |
| C28 | C11 | C12 | C13 | 1.1° | 0.2° |
| C28 | C11 | C12 | H19 | 178.9° | 179.8° |
| C11 | C28 | C29 | H39 | 176.9° | 90.0° |
| C11 | C28 | C29 | H40 | 56.9° | 150.0° |
| C11 | C28 | C29 | H41 | 63.1° | 30.0° |
| O4 | C28 | C11 | C12 | 3.0° | 0.3° |
| C28 | O4 | C13 | C12 | 3.1° | 0.3° |
| C28 | O4 | C13 | C14 | 179.6° | 179.7° |
| O4 | C28 | C29 | H39 | 0.0° | 89.9° |
| O4 | C28 | C29 | H40 | 120.0° | 30.1° |
| O4 | C28 | C29 | H41 | 120.0° | 150.2° |
| C11 | C12 | C13 | O4 | 1.2° | 0.0° |
| C11 | C12 | C13 | H19 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 177.0° | 180.0° |
| O4 | C13 | C12 | C14 | 175.8° | 180.0° |
| O4 | C13 | C14 | C15 | 12.4° | 180.0° |
| O4 | C13 | C14 | C27 | 169.3° | 0.2° |
| O4 | C13 | C12 | H19 | 178.8° | 180.0° |
| C12 | C13 | C14 | C15 | 163.0° | 0.0° |
| C12 | C13 | C14 | C27 | 15.2° | 179.8° |
| C13 | C14 | C15 | C27 | 178.2° | 179.7° |
| C13 | C14 | C15 | C16 | 177.9° | 180.0° |
| C13 | C14 | C27 | C18 | 176.3° | 179.7° |
| C14 | C13 | C12 | H19 | 3.0° | 0.0° |
| C13 | C14 | C15 | H20 | 2.1° | 0.0° |
| C13 | C14 | C27 | H38 | 3.7° | 0.1° |
| C14 | C15 | C16 | H20 | 180.0° | 180.0° |
| C15 | C14 | C27 | C18 | 2.0° | 0.5° |
| C14 | C15 | C16 | F1 | 179.6° | 180.0° |
| C14 | C15 | C16 | C17 | 1.4° | 0.0° |
| C15 | C14 | C27 | H38 | 178.0° | 179.8° |
| C27 | C14 | C15 | C16 | 0.3° | 0.2° |
| C14 | C27 | C18 | H38 | 180.0° | 179.7° |
| C14 | C27 | C18 | C17 | 1.9° | 0.6° |
| C14 | C27 | C18 | N2 | 178.9° | 179.8° |
| C27 | C14 | C15 | H20 | 179.7° | 179.8° |
| C15 | C16 | F1 | C17 | 178.2° | 180.0° |
| C15 | C16 | C17 | C18 | 1.5° | 0.0° |
| C15 | C16 | C17 | H21 | 178.5° | 180.0° |
| C27 | C18 | C17 | C16 | 0.2° | 0.3° |
| C27 | C18 | C17 | N2 | 179.2° | 179.7° |
| C27 | C18 | N2 | C19 | 8.2° | 147.0° |
| C27 | C18 | C17 | H21 | 179.8° | 179.7° |
| C27 | C18 | N2 | H22 | 171.8° | 33.0° |
| F1 | C16 | C17 | C18 | 179.7° | 180.0° |
| F1 | C16 | C15 | H20 | 0.4° | 0.0° |
| F1 | C16 | C17 | H21 | 0.3° | 0.0° |
| C16 | C17 | C18 | H21 | 180.0° | 180.0° |
| C16 | C17 | C18 | N2 | 179.4° | 180.0° |
| C17 | C16 | C15 | H20 | 178.6° | 180.0° |
| C24 | C22 | C25 | C21 | 117.1° | 120.0° |
| C24 | C22 | C25 | C23 | 119.5° | 120.0° |
| C24 | C22 | C25 | C26 | 164.1° | 58.8° |
| C24 | C22 | C21 | C23 | 118.5° | 120.0° |
| C24 | C22 | C21 | C20 | 174.6° | 58.7° |
| C24 | C22 | C21 | H26 | 65.0° | 61.3° |
| C24 | C22 | C21 | H27 | 54.2° | 178.6° |
| C24 | C22 | C23 | H28 | 180.0° | 180.0° |
| C24 | C22 | C23 | H29 | 60.0° | 60.0° |
| C24 | C22 | C23 | H30 | 60.0° | 59.9° |
| C22 | C24 | H31 | H32 | 120.0° | 120.0° |
| C22 | C24 | H31 | H33 | 120.0° | 120.0° |
| C22 | C24 | H32 | H33 | 120.0° | 120.0° |
| C24 | C22 | C25 | H34 | 43.2° | 61.3° |
| C24 | C22 | C25 | H35 | 75.1° | 178.6° |
| C17 | C18 | N2 | C19 | 172.6° | 32.7° |
| C17 | C18 | N2 | H22 | 7.4° | 147.3° |
| C17 | C18 | C27 | H38 | 178.1° | 179.8° |
| C18 | N2 | C19 | H22 | 180.0° | 180.0° |
| C18 | N2 | C19 | N4 | 50.9° | 173.9° |
| C18 | N2 | C19 | N3 | 134.6° | 6.1° |
| N2 | C18 | C17 | H21 | 0.6° | 0.0° |
| N2 | C18 | C27 | H38 | 1.0° | 0.1° |
| C22 | C25 | C26 | H34 | 120.8° | 120.1° |
| C22 | C25 | C26 | H35 | 120.8° | 119.9° |
| C25 | C22 | C21 | C23 | 122.7° | 120.0° |
| C25 | C22 | C21 | C20 | 55.9° | 61.4° |
| C22 | C25 | C26 | N4 | 41.5° | 54.4° |
| C25 | C22 | C21 | H26 | 176.3° | 178.7° |
| C25 | C22 | C21 | H27 | 64.5° | 58.6° |
| C25 | C22 | C23 | H28 | 59.5° | 60.1° |
| C25 | C22 | C23 | H29 | 60.5° | 59.9° |
| C25 | C22 | C23 | H30 | 179.5° | 179.9° |
| C25 | C22 | C24 | H31 | 180.0° | 179.9° |
| C25 | C22 | C24 | H32 | 60.0° | 59.9° |
| C25 | C22 | C24 | H33 | 60.0° | 60.1° |
| C22 | C25 | H34 | H35 | 117.4° | 120.1° |
| C22 | C25 | C26 | H36 | 162.2° | 174.4° |
| C22 | C25 | C26 | H37 | 79.3° | 65.2° |
| C26 | C25 | C22 | C21 | 46.9° | 61.2° |
| C26 | C25 | C22 | C23 | 76.4° | 178.7° |
| C25 | C26 | N4 | H36 | 120.7° | 120.0° |
| C25 | C26 | N4 | H37 | 120.7° | 119.7° |
| C25 | C26 | N4 | C19 | 144.1° | 126.4° |
| C25 | C26 | N4 | C20 | 43.9° | 53.3° |
| C26 | C25 | H34 | H35 | 117.4° | 119.9° |
| C25 | C26 | H36 | H37 | 117.8° | 120.3° |
| C22 | C21 | C20 | H26 | 120.4° | 120.0° |
| C22 | C21 | C20 | H27 | 120.4° | 120.0° |
| C22 | C21 | C20 | N4 | 59.2° | 54.6° |
| C22 | C21 | C20 | H24 | 61.0° | 65.2° |
| C22 | C21 | C20 | H25 | 179.4° | 174.5° |
| C22 | C21 | H26 | H27 | 118.8° | 120.1° |
| C21 | C22 | C23 | H28 | 61.9° | 60.0° |
| C21 | C22 | C23 | H29 | 178.1° | 180.0° |
| C21 | C22 | C23 | H30 | 58.1° | 60.0° |
| C21 | C22 | C24 | H31 | 62.1° | 60.0° |
| C21 | C22 | C24 | H32 | 177.9° | 180.0° |
| C21 | C22 | C24 | H33 | 57.9° | 60.0° |
| C21 | C22 | C25 | H34 | 73.9° | 178.7° |
| C21 | C22 | C25 | H35 | 167.7° | 58.6° |
| C23 | C22 | C21 | C20 | 66.9° | 178.6° |
| C23 | C22 | C21 | H26 | 53.5° | 58.6° |
| C23 | C22 | C21 | H27 | 172.7° | 61.4° |
| C22 | C23 | H28 | H29 | 120.0° | 120.0° |
| C22 | C23 | H28 | H30 | 120.0° | 120.0° |
| C22 | C23 | H29 | H30 | 120.0° | 119.9° |
| C23 | C22 | C24 | H31 | 58.8° | 60.0° |
| C23 | C22 | C24 | H32 | 61.2° | 60.1° |
| C23 | C22 | C24 | H33 | 178.8° | 180.0° |
| C23 | C22 | C25 | H34 | 162.7° | 58.7° |
| C23 | C22 | C25 | H35 | 44.4° | 61.4° |
| C21 | C20 | N4 | C26 | 52.5° | 53.4° |
| C21 | C20 | N4 | C19 | 135.5° | 126.4° |
| C21 | C20 | N4 | H24 | 120.2° | 119.8° |
| C21 | C20 | N4 | H25 | 120.2° | 120.0° |
| C21 | C20 | H24 | H25 | 119.4° | 120.4° |
| C20 | C21 | H26 | H27 | 118.8° | 120.1° |
| C26 | N4 | C19 | N2 | 160.6° | 174.5° |
| C26 | N4 | C19 | C20 | 171.6° | 179.7° |
| C26 | N4 | C19 | N3 | 24.4° | 5.5° |
| C26 | N4 | C20 | H24 | 67.7° | 66.4° |
| C26 | N4 | C20 | H25 | 172.6° | 173.3° |
| N4 | C26 | C25 | H34 | 79.3° | 174.4° |
| N4 | C26 | C25 | H35 | 162.3° | 65.5° |
| N4 | C26 | H36 | H37 | 117.8° | 120.0° |
| N2 | C19 | N4 | N3 | 175.0° | 180.0° |
| N2 | C19 | N4 | C20 | 27.8° | 5.8° |
| N2 | C19 | N3 | H23 | 175.1° | 175.4° |
| N4 | C19 | N2 | H22 | 129.1° | 6.1° |
| N4 | C19 | N3 | H23 | 0.0° | 4.6° |
| C19 | N4 | C20 | H24 | 104.3° | 113.8° |
| C19 | N4 | C20 | H25 | 15.3° | 6.4° |
| C19 | N4 | C26 | H36 | 23.4° | 6.5° |
| C19 | N4 | C26 | H37 | 95.2° | 113.8° |
| N3 | C19 | N4 | C20 | 147.2° | 174.2° |
| N3 | C19 | N2 | H22 | 45.4° | 173.9° |
| N4 | C20 | H24 | H25 | 119.5° | 120.3° |
| N4 | C20 | C21 | H26 | 179.6° | 174.6° |
| N4 | C20 | C21 | H27 | 61.2° | 65.4° |
| C20 | N4 | C26 | H36 | 164.6° | 173.3° |
| C20 | N4 | C26 | H37 | 76.8° | 66.4° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C2 | C3 | H6 | 94.0° | 65.1° |
| H4 | C2 | C3 | H7 | 146.1° | 175.0° |
| H5 | C2 | C3 | H6 | 25.4° | 55.0° |
| H5 | C2 | C3 | H7 | 94.5° | 64.9° |
| H8 | C4 | C5 | H10 | 140.5° | 179.9° |
| H8 | C4 | C5 | H11 | 103.6° | 59.9° |
| H9 | C4 | C5 | H10 | 23.8° | 60.0° |
| H9 | C4 | C5 | H11 | 139.7° | 180.0° |
| H10 | C5 | C6 | H12 | 48.6° | 175.1° |
| H11 | C5 | C6 | H12 | 67.2° | 64.9° |
| H12 | C6 | C7 | H13 | 47.1° | 178.6° |
| H12 | C6 | C7 | H14 | 72.0° | 61.4° |
| H12 | C6 | C30 | H42 | 52.6° | 54.4° |
| H12 | C6 | C30 | H43 | 66.9° | 174.8° |
| H13 | C7 | C8 | H15 | 167.8° | 61.3° |
| H13 | C7 | C8 | H16 | 48.7° | 178.7° |
| H14 | C7 | C8 | H15 | 48.7° | 58.6° |
| H14 | C7 | C8 | H16 | 70.5° | 61.4° |
| H15 | C8 | C9 | H17 | 50.9° | 54.8° |
| H15 | C8 | C9 | H18 | 170.2° | 65.6° |
| H16 | C8 | C9 | H17 | 68.3° | 174.8° |
| H16 | C8 | C9 | H18 | 51.1° | 54.4° |
| H24 | C20 | C21 | H26 | 59.4° | 54.8° |
| H24 | C20 | C21 | H27 | 178.6° | 174.8° |
| H25 | C20 | C21 | H26 | 60.3° | 65.5° |
| H25 | C20 | C21 | H27 | 58.9° | 54.5° |
| H28 | C23 | H29 | H30 | 120.0° | 120.1° |
| H31 | C24 | H32 | H33 | 120.0° | 120.0° |
| H34 | C25 | C26 | H36 | 41.4° | 65.5° |
| H34 | C25 | C26 | H37 | 159.9° | 54.9° |
| H35 | C25 | C26 | H36 | 77.0° | 54.5° |
| H35 | C25 | C26 | H37 | 41.6° | 174.9° |
| H39 | C29 | H40 | H41 | 120.0° | 119.9° |
