A1JIR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.46Å | 1.47Å | |
| C2 | N1 | sing | 1.35Å | 1.39Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | F1 | sing | 1.40Å | 1.35Å | |
| C9 | F2 | sing | 1.40Å | 1.36Å | |
| C4 | O1 | sing | 1.43Å | 1.43Å | |
| C3 | S1 | sing | 1.81Å | 1.80Å | |
| C10 | S1 | sing | 1.81Å | 1.79Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | N3 | sing | 1.29Å | 1.34Å | Aromatic |
| N3 | N4 | doub | 1.29Å | 1.32Å | Aromatic |
| C13 | N4 | sing | 1.35Å | 1.34Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.46Å | |
| C14 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | F3 | sing | 1.35Å | 1.35Å | |
| C14 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | F4 | sing | 1.35Å | 1.32Å | |
| C18 | C19 | sing | 1.39Å | 1.37Å | Aromatic |
| C19 | F5 | sing | 1.35Å | 1.33Å | |
| C13 | C20 | doub | 1.37Å | 1.37Å | Aromatic |
| C11 | O2 | sing | 1.43Å | 1.41Å | |
| C21 | O2 | sing | 1.43Å | 1.42Å | |
| C10 | O3 | sing | 1.43Å | 1.43Å | |
| C22 | O3 | sing | 1.43Å | 1.44Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | O4 | sing | 1.43Å | 1.42Å | |
| C22 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | O5 | sing | 1.43Å | 1.42Å | |
| C2 | O6 | doub | 1.21Å | 1.20Å | |
| C25 | N1 | sing | 1.39Å | 1.37Å | |
| C25 | N5 | doub | 1.32Å | 1.32Å | Aromatic |
| C26 | N5 | sing | 1.32Å | 1.34Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.37Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C6 | sing | 1.53Å | 1.53Å | |
| C24 | C12 | sing | 1.53Å | 1.52Å | |
| C29 | C25 | sing | 1.39Å | 1.37Å | Aromatic |
| C20 | N2 | sing | 1.35Å | 1.34Å | Aromatic |
| C19 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| O4 | H26 | sing | 0.97Å | 0.95Å | |
| O5 | H28 | sing | 0.97Å | 0.95Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 118.6° | 120.0° |
| C1 | N1 | C25 | 116.9° | 120.0° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.4° |
| N1 | C2 | C3 | 119.3° | 120.0° |
| N1 | C2 | O6 | 118.2° | 120.0° |
| C2 | N1 | C25 | 124.4° | 120.0° |
| C2 | C3 | C4 | 111.7° | 109.5° |
| C2 | C3 | S1 | 108.8° | 109.5° |
| C3 | C2 | O6 | 122.2° | 120.0° |
| C2 | C3 | H4 | 109.3° | 109.5° |
| C3 | C4 | C5 | 111.1° | 109.5° |
| C3 | C4 | C7 | 112.6° | 109.5° |
| C3 | C4 | O1 | 107.3° | 109.5° |
| C4 | C3 | S1 | 112.2° | 109.5° |
| C4 | C3 | H4 | 108.7° | 109.4° |
| C4 | C5 | C6 | 111.9° | 109.5° |
| C5 | C4 | C7 | 111.3° | 109.5° |
| C5 | C4 | O1 | 106.8° | 109.4° |
| C4 | C5 | H5 | 108.9° | 109.5° |
| C4 | C5 | H6 | 108.9° | 109.5° |
| C5 | C6 | C9 | 110.1° | 109.5° |
| C6 | C5 | H5 | 108.9° | 109.5° |
| C6 | C5 | H6 | 108.9° | 109.4° |
| C5 | C6 | H7 | 109.3° | 109.4° |
| C5 | C6 | H8 | 109.3° | 109.5° |
| C4 | C7 | C8 | 112.2° | 109.5° |
| C7 | C4 | O1 | 107.4° | 109.5° |
| C4 | C7 | H10 | 108.8° | 109.5° |
| C4 | C7 | H9 | 108.8° | 109.5° |
| C7 | C8 | C9 | 110.8° | 109.4° |
| C8 | C7 | H10 | 108.8° | 109.5° |
| C8 | C7 | H9 | 108.8° | 109.4° |
| C7 | C8 | H11 | 109.1° | 109.5° |
| C7 | C8 | H12 | 109.1° | 109.5° |
| C8 | C9 | F1 | 109.5° | 109.5° |
| C8 | C9 | F2 | 108.8° | 109.5° |
| C8 | C9 | C6 | 112.7° | 109.5° |
| C9 | C8 | H11 | 109.1° | 109.5° |
| C9 | C8 | H12 | 109.1° | 109.5° |
| F1 | C9 | F2 | 105.3° | 109.4° |
| F1 | C9 | C6 | 109.8° | 109.5° |
| F2 | C9 | C6 | 110.5° | 109.5° |
| C4 | O1 | H13 | 109.5° | 114.0° |
| C3 | S1 | C10 | 101.4° | 103.0° |
| S1 | C3 | H4 | 106.0° | 109.5° |
| S1 | C10 | C11 | 109.1° | 109.5° |
| S1 | C10 | O3 | 107.5° | 109.5° |
| S1 | C10 | H14 | 107.5° | 109.5° |
| C10 | C11 | C12 | 109.3° | 109.1° |
| C10 | C11 | O2 | 108.6° | 109.5° |
| C11 | C10 | O3 | 110.1° | 109.4° |
| C11 | C10 | H14 | 110.4° | 109.5° |
| C10 | C11 | H15 | 109.0° | 109.5° |
| C11 | C12 | N2 | 110.1° | 109.5° |
| C12 | C11 | O2 | 109.5° | 109.5° |
| C11 | C12 | C24 | 110.5° | 109.0° |
| C12 | C11 | H15 | 109.4° | 109.6° |
| C11 | C12 | H16 | 108.2° | 109.6° |
| C12 | N2 | N3 | 119.3° | 125.8° |
| N2 | C12 | C24 | 111.0° | 109.5° |
| C12 | N2 | C20 | 130.4° | 125.8° |
| N2 | C12 | H16 | 108.9° | 109.6° |
| N2 | N3 | N4 | 106.4° | 110.5° |
| N3 | N2 | C20 | 110.1° | 108.5° |
| N3 | N4 | C13 | 110.3° | 108.8° |
| N4 | C13 | C14 | 122.9° | 126.9° |
| N4 | C13 | C20 | 107.0° | 106.2° |
| C13 | C14 | C15 | 119.0° | 120.1° |
| C13 | C14 | C17 | 120.5° | 120.1° |
| C14 | C13 | C20 | 130.0° | 126.9° |
| C14 | C15 | C16 | 117.6° | 119.9° |
| C15 | C14 | C17 | 120.5° | 119.8° |
| C14 | C15 | H17 | 121.2° | 120.0° |
| C15 | C16 | F3 | 119.9° | 119.9° |
| C15 | C16 | C19 | 122.8° | 120.1° |
| C16 | C15 | H17 | 121.2° | 120.1° |
| F3 | C16 | C19 | 117.3° | 120.0° |
| C14 | C17 | C18 | 120.0° | 119.9° |
| C14 | C17 | H18 | 120.0° | 120.0° |
| C17 | C18 | F4 | 121.7° | 120.0° |
| C17 | C18 | C19 | 120.7° | 120.0° |
| C18 | C17 | H18 | 120.0° | 120.0° |
| F4 | C18 | C19 | 117.3° | 120.0° |
| C18 | C19 | F5 | 121.3° | 119.9° |
| C18 | C19 | C16 | 118.3° | 120.2° |
| F5 | C19 | C16 | 120.3° | 119.9° |
| C13 | C20 | N2 | 106.0° | 106.1° |
| C13 | C20 | H19 | 127.0° | 127.0° |
| C11 | O2 | C21 | 114.5° | 114.0° |
| O2 | C11 | H15 | 110.9° | 109.6° |
| O2 | C21 | H20 | 109.5° | 109.5° |
| O2 | C21 | H21 | 109.5° | 109.5° |
| O2 | C21 | H22 | 109.5° | 109.4° |
| C10 | O3 | C22 | 114.2° | 114.1° |
| O3 | C10 | H14 | 112.1° | 109.5° |
| O3 | C22 | C23 | 106.9° | 109.5° |
| O3 | C22 | C24 | 109.0° | 109.4° |
| O3 | C22 | H23 | 110.4° | 109.5° |
| C22 | C23 | O4 | 110.7° | 109.5° |
| C23 | C22 | C24 | 111.9° | 109.5° |
| C23 | C22 | H23 | 109.3° | 109.5° |
| C22 | C23 | H24 | 109.2° | 109.5° |
| C22 | C23 | H25 | 109.2° | 109.5° |
| O4 | C23 | H24 | 109.2° | 109.5° |
| O4 | C23 | H25 | 109.2° | 109.5° |
| C23 | O4 | H26 | 109.5° | 114.0° |
| C22 | C24 | O5 | 109.8° | 109.5° |
| C22 | C24 | C12 | 108.6° | 109.1° |
| C24 | C22 | H23 | 109.3° | 109.4° |
| C22 | C24 | H27 | 109.2° | 109.5° |
| O5 | C24 | C12 | 109.5° | 109.6° |
| O5 | C24 | H27 | 110.6° | 109.6° |
| C24 | O5 | H28 | 109.5° | 114.0° |
| N1 | C25 | N5 | 117.9° | 119.7° |
| N1 | C25 | C29 | 118.2° | 119.7° |
| C25 | N5 | C26 | 116.8° | 121.7° |
| N5 | C25 | C29 | 123.6° | 120.6° |
| N5 | C26 | C27 | 123.2° | 120.8° |
| N5 | C26 | H29 | 118.4° | 119.6° |
| C26 | C27 | C28 | 118.4° | 119.3° |
| C27 | C26 | H29 | 118.4° | 119.6° |
| C26 | C27 | H30 | 120.8° | 120.3° |
| C27 | C28 | C29 | 118.5° | 118.5° |
| C27 | C28 | H31 | 120.8° | 120.8° |
| C28 | C27 | H30 | 120.8° | 120.4° |
| C28 | C29 | C25 | 119.2° | 119.1° |
| C29 | C28 | H31 | 120.8° | 120.7° |
| C28 | C29 | H32 | 120.4° | 120.5° |
| C9 | C6 | H7 | 109.3° | 109.5° |
| C9 | C6 | H8 | 109.3° | 109.5° |
| C12 | C24 | H27 | 109.1° | 109.6° |
| C24 | C12 | H16 | 108.1° | 109.6° |
| C25 | C29 | H32 | 120.4° | 120.5° |
| N2 | C20 | H19 | 127.0° | 127.0° |
| H5 | C5 | H6 | 109.5° | 109.4° |
| H7 | C6 | H8 | 109.4° | 109.4° |
| H10 | C7 | H9 | 109.5° | 109.4° |
| H11 | C8 | H12 | 109.5° | 109.4° |
| H20 | C21 | H21 | 109.5° | 109.6° |
| H20 | C21 | H22 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H24 | C23 | H25 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | C25 | 176.9° | 179.6° |
| C1 | N1 | C2 | C3 | 169.4° | 0.0° |
| C1 | N1 | C2 | O6 | 3.8° | 180.0° |
| C1 | N1 | C25 | N5 | 119.7° | 175.0° |
| C1 | N1 | C25 | C29 | 55.0° | 5.1° |
| N1 | C1 | H1 | H2 | 120.0° | 120.1° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| N1 | C2 | C3 | O6 | 172.9° | 180.0° |
| N1 | C2 | C3 | C4 | 96.5° | 80.0° |
| N1 | C2 | C3 | S1 | 139.1° | 160.0° |
| C2 | N1 | C25 | N5 | 63.4° | 4.7° |
| C2 | N1 | C25 | C29 | 122.0° | 175.3° |
| C2 | N1 | C1 | H1 | 180.0° | 90.0° |
| C2 | N1 | C1 | H2 | 60.0° | 149.9° |
| C2 | N1 | C1 | H3 | 60.0° | 30.0° |
| N1 | C2 | C3 | H4 | 23.8° | 40.0° |
| C2 | C3 | C4 | S1 | 122.4° | 120.0° |
| C2 | C3 | C4 | H4 | 120.7° | 120.0° |
| C2 | C3 | C4 | C5 | 69.7° | 176.8° |
| C2 | C3 | C4 | C7 | 55.9° | 56.8° |
| C2 | C3 | C4 | O1 | 173.9° | 63.2° |
| C2 | C3 | S1 | H4 | 117.4° | 120.0° |
| C2 | C3 | S1 | C10 | 93.2° | 68.1° |
| C3 | C2 | N1 | C25 | 7.5° | 179.7° |
| C3 | C4 | C5 | C7 | 126.4° | 120.0° |
| C3 | C4 | C5 | O1 | 116.7° | 120.0° |
| C3 | C4 | C5 | C6 | 179.1° | 179.9° |
| C3 | C4 | C7 | O1 | 117.9° | 120.0° |
| C3 | C4 | C7 | C8 | 179.4° | 180.0° |
| C4 | C3 | S1 | H4 | 118.5° | 120.0° |
| C4 | C3 | S1 | C10 | 142.7° | 171.9° |
| C4 | C3 | C2 | O6 | 76.4° | 100.0° |
| C3 | C4 | C5 | H5 | 58.7° | 60.0° |
| C3 | C4 | C5 | H6 | 60.6° | 60.0° |
| C3 | C4 | C7 | H10 | 59.0° | 60.0° |
| C3 | C4 | C7 | H9 | 60.2° | 60.0° |
| C3 | C4 | O1 | H13 | 180.0° | 180.0° |
| C4 | C5 | C6 | H5 | 120.3° | 120.1° |
| C4 | C5 | C6 | H6 | 120.4° | 119.9° |
| C5 | C4 | C7 | O1 | 116.5° | 120.0° |
| C5 | C4 | C7 | C8 | 53.9° | 60.0° |
| C5 | C4 | C3 | S1 | 52.7° | 56.8° |
| C4 | C5 | C6 | C9 | 55.1° | 60.0° |
| C4 | C5 | H5 | H6 | 118.9° | 120.0° |
| C4 | C5 | C6 | H7 | 65.1° | 60.1° |
| C4 | C5 | C6 | H8 | 175.2° | 180.0° |
| C5 | C4 | C7 | H10 | 66.6° | 60.0° |
| C5 | C4 | C7 | H9 | 174.2° | 180.0° |
| C5 | C4 | C3 | H4 | 169.6° | 63.2° |
| C5 | C4 | O1 | H13 | 60.8° | 60.0° |
| C6 | C5 | C4 | C7 | 54.6° | 59.9° |
| C5 | C6 | C9 | C8 | 55.7° | 60.0° |
| C5 | C6 | C9 | F1 | 66.6° | 60.0° |
| C5 | C6 | C9 | F2 | 177.6° | 180.0° |
| C6 | C5 | C4 | O1 | 62.4° | 60.0° |
| C5 | C6 | C9 | H7 | 120.1° | 120.0° |
| C5 | C6 | C9 | H8 | 120.1° | 120.0° |
| C6 | C5 | H5 | H6 | 118.9° | 119.9° |
| C5 | C6 | H7 | H8 | 119.7° | 119.9° |
| C4 | C7 | C8 | H10 | 120.4° | 120.0° |
| C4 | C7 | C8 | H9 | 120.4° | 120.0° |
| C4 | C7 | C8 | C9 | 53.8° | 60.0° |
| C7 | C4 | C3 | S1 | 178.3° | 63.2° |
| C7 | C4 | C5 | H5 | 174.9° | 180.0° |
| C7 | C4 | C5 | H6 | 65.8° | 60.0° |
| C4 | C7 | H10 | H9 | 118.8° | 120.0° |
| C4 | C7 | C8 | H11 | 174.0° | 180.0° |
| C4 | C7 | C8 | H12 | 66.4° | 60.0° |
| C7 | C4 | C3 | H4 | 64.8° | 176.8° |
| C7 | C4 | O1 | H13 | 58.7° | 60.0° |
| C7 | C8 | C9 | H11 | 120.2° | 120.0° |
| C7 | C8 | C9 | H12 | 120.2° | 120.0° |
| C7 | C8 | C9 | F1 | 67.3° | 60.0° |
| C7 | C8 | C9 | F2 | 178.1° | 180.0° |
| C8 | C7 | C4 | O1 | 62.7° | 60.0° |
| C7 | C8 | C9 | C6 | 55.3° | 60.0° |
| C8 | C7 | H10 | H9 | 118.8° | 120.0° |
| C7 | C8 | H11 | H12 | 119.4° | 120.0° |
| C8 | C9 | F1 | F2 | 116.8° | 120.0° |
| C8 | C9 | F1 | C6 | 124.2° | 120.0° |
| C8 | C9 | F2 | C6 | 124.2° | 120.0° |
| C8 | C9 | C6 | H7 | 64.4° | 60.0° |
| C8 | C9 | C6 | H8 | 175.8° | 180.0° |
| C9 | C8 | C7 | H10 | 66.6° | 60.0° |
| C9 | C8 | C7 | H9 | 174.2° | 180.0° |
| C9 | C8 | H11 | H12 | 119.4° | 120.0° |
| F1 | C9 | F2 | C6 | 118.6° | 120.0° |
| F1 | C9 | C6 | H7 | 173.3° | 179.9° |
| F1 | C9 | C6 | H8 | 53.5° | 60.0° |
| F1 | C9 | C8 | H11 | 52.9° | 60.0° |
| F1 | C9 | C8 | H12 | 172.6° | 179.9° |
| F2 | C9 | C6 | H7 | 57.5° | 60.0° |
| F2 | C9 | C6 | H8 | 62.3° | 60.0° |
| F2 | C9 | C8 | H11 | 61.7° | 60.0° |
| F2 | C9 | C8 | H12 | 58.0° | 60.0° |
| O1 | C4 | C3 | S1 | 63.7° | 176.8° |
| O1 | C4 | C5 | H5 | 57.9° | 60.0° |
| O1 | C4 | C5 | H6 | 177.2° | 180.0° |
| O1 | C4 | C7 | H10 | 176.9° | 180.0° |
| O1 | C4 | C7 | H9 | 57.7° | 60.0° |
| O1 | C4 | C3 | H4 | 53.3° | 56.8° |
| C3 | S1 | C10 | C11 | 177.4° | 171.9° |
| C3 | S1 | C10 | O3 | 63.2° | 68.2° |
| S1 | C3 | C2 | O6 | 48.0° | 20.0° |
| C3 | S1 | C10 | H14 | 57.7° | 51.9° |
| S1 | C10 | C11 | O3 | 117.8° | 120.0° |
| S1 | C10 | C11 | H14 | 117.9° | 120.0° |
| S1 | C10 | C11 | C12 | 171.7° | 177.6° |
| S1 | C10 | C11 | O2 | 68.8° | 62.5° |
| S1 | C10 | O3 | H14 | 117.9° | 120.0° |
| S1 | C10 | O3 | C22 | 177.5° | 178.9° |
| C10 | S1 | C3 | H4 | 24.2° | 51.9° |
| S1 | C10 | C11 | H15 | 52.2° | 57.7° |
| C10 | C11 | C12 | O2 | 118.9° | 119.8° |
| C10 | C11 | C12 | H15 | 119.3° | 119.9° |
| C10 | C11 | C12 | N2 | 178.1° | 176.9° |
| C10 | C11 | O2 | H15 | 119.8° | 120.2° |
| C10 | C11 | O2 | C21 | 116.0° | 90.1° |
| C11 | C10 | O3 | H14 | 123.3° | 120.0° |
| C11 | C10 | O3 | C22 | 58.7° | 61.2° |
| C10 | C11 | C12 | C24 | 55.2° | 57.1° |
| C10 | C11 | C12 | H16 | 62.9° | 62.9° |
| C11 | C12 | N2 | C24 | 122.6° | 119.5° |
| C11 | C12 | N2 | H16 | 118.5° | 120.2° |
| C11 | C12 | N2 | N3 | 125.1° | 95.5° |
| C12 | C11 | O2 | H15 | 120.9° | 120.2° |
| C12 | C11 | O2 | C21 | 124.6° | 150.3° |
| C12 | C11 | C10 | O3 | 53.9° | 57.7° |
| C11 | C12 | C24 | C22 | 58.3° | 57.0° |
| C11 | C12 | C24 | O5 | 61.6° | 62.9° |
| C11 | C12 | C24 | H16 | 118.2° | 119.9° |
| C11 | C12 | N2 | C20 | 60.1° | 84.6° |
| C12 | C11 | C10 | H14 | 70.4° | 62.4° |
| C11 | C12 | C24 | H27 | 177.3° | 176.9° |
| C12 | N2 | N3 | C20 | 175.8° | 179.9° |
| C12 | N2 | N3 | N4 | 174.0° | 180.0° |
| C12 | N2 | C20 | C13 | 175.8° | 180.0° |
| N2 | C12 | C11 | O2 | 62.9° | 63.3° |
| N2 | C12 | C24 | C22 | 179.2° | 176.8° |
| N2 | C12 | C24 | O5 | 60.9° | 56.9° |
| N2 | C12 | C24 | H16 | 119.4° | 120.3° |
| C12 | N2 | C20 | H19 | 4.2° | 0.0° |
| N2 | C12 | C24 | H27 | 60.3° | 63.3° |
| N2 | C12 | C11 | H15 | 58.8° | 57.0° |
| N2 | N3 | N4 | C13 | 3.6° | 0.1° |
| N3 | N2 | C20 | C13 | 0.6° | 0.1° |
| N3 | N2 | C12 | C24 | 112.2° | 145.0° |
| N3 | N2 | C20 | H19 | 179.3° | 179.9° |
| N3 | N2 | C12 | H16 | 6.6° | 24.7° |
| N3 | N4 | C13 | C14 | 178.5° | 179.9° |
| N3 | N4 | C13 | C20 | 4.1° | 0.1° |
| N4 | N3 | N2 | C20 | 1.8° | 0.1° |
| N4 | C13 | C14 | C20 | 176.8° | 180.0° |
| N4 | C13 | C14 | C15 | 160.2° | 0.0° |
| N4 | C13 | C14 | C17 | 17.3° | 179.9° |
| N4 | C13 | C20 | N2 | 2.8° | 0.0° |
| N4 | C13 | C20 | H19 | 177.2° | 180.0° |
| C13 | C14 | C15 | C17 | 177.5° | 179.9° |
| C13 | C14 | C15 | C16 | 177.8° | 180.0° |
| C13 | C14 | C17 | C18 | 179.8° | 179.5° |
| C14 | C13 | C20 | N2 | 180.0° | 180.0° |
| C13 | C14 | C15 | H17 | 2.2° | 0.4° |
| C13 | C14 | C17 | H18 | 0.2° | 0.2° |
| C14 | C13 | C20 | H19 | 0.0° | 0.0° |
| C14 | C15 | C16 | H17 | 180.0° | 179.7° |
| C14 | C15 | C16 | F3 | 179.5° | 179.8° |
| C15 | C14 | C17 | C18 | 2.7° | 0.4° |
| C15 | C14 | C13 | C20 | 16.6° | 180.0° |
| C14 | C15 | C16 | C19 | 0.2° | 0.3° |
| C15 | C14 | C17 | H18 | 177.3° | 179.7° |
| C15 | C16 | F3 | C19 | 179.7° | 179.9° |
| C16 | C15 | C14 | C17 | 0.3° | 0.1° |
| C15 | C16 | C19 | C18 | 1.6° | 0.1° |
| C15 | C16 | C19 | F5 | 178.2° | 179.5° |
| F3 | C16 | C19 | C18 | 178.7° | 180.0° |
| F3 | C16 | C19 | F5 | 2.1° | 0.4° |
| F3 | C16 | C15 | H17 | 0.5° | 0.1° |
| C14 | C17 | C18 | H18 | 180.0° | 179.3° |
| C14 | C17 | C18 | F4 | 178.6° | 179.3° |
| C14 | C17 | C18 | C19 | 4.6° | 0.7° |
| C17 | C14 | C13 | C20 | 165.9° | 0.1° |
| C17 | C14 | C15 | H17 | 179.7° | 179.8° |
| C17 | C18 | F4 | C19 | 174.2° | 179.9° |
| C17 | C18 | C19 | F5 | 179.5° | 180.0° |
| C17 | C18 | C19 | C16 | 4.0° | 0.4° |
| F4 | C18 | C19 | F5 | 5.2° | 0.1° |
| F4 | C18 | C19 | C16 | 178.3° | 179.5° |
| F4 | C18 | C17 | H18 | 1.4° | 0.1° |
| C18 | C19 | F5 | C16 | 176.5° | 179.6° |
| C19 | C18 | C17 | H18 | 175.4° | 180.0° |
| C13 | C20 | N2 | H19 | 180.0° | 180.0° |
| O2 | C11 | C10 | O3 | 173.4° | 177.5° |
| O2 | C11 | C12 | C24 | 174.1° | 176.9° |
| O2 | C11 | C10 | H14 | 49.1° | 57.5° |
| C11 | O2 | C21 | H20 | 180.0° | 59.9° |
| C11 | O2 | C21 | H21 | 60.0° | 180.0° |
| C11 | O2 | C21 | H22 | 60.0° | 60.0° |
| O2 | C11 | C12 | H16 | 56.0° | 57.0° |
| O2 | C21 | H20 | H21 | 120.0° | 120.0° |
| O2 | C21 | H20 | H22 | 120.0° | 119.9° |
| O2 | C21 | H21 | H22 | 120.0° | 119.9° |
| C21 | O2 | C11 | H15 | 3.8° | 30.1° |
| C10 | O3 | C22 | C23 | 177.2° | 178.8° |
| C10 | O3 | C22 | C24 | 61.7° | 61.2° |
| C10 | O3 | C22 | H23 | 58.4° | 58.8° |
| O3 | C10 | C11 | H15 | 65.6° | 62.3° |
| O3 | C22 | C23 | C24 | 119.3° | 120.0° |
| O3 | C22 | C23 | H23 | 119.5° | 120.1° |
| O3 | C22 | C23 | O4 | 64.0° | 65.4° |
| O3 | C22 | C24 | H23 | 120.8° | 120.0° |
| O3 | C22 | C24 | O5 | 60.3° | 62.3° |
| O3 | C22 | C24 | C12 | 59.4° | 57.6° |
| C22 | O3 | C10 | H14 | 64.6° | 58.8° |
| O3 | C22 | C24 | H27 | 178.3° | 177.5° |
| O3 | C22 | C23 | H24 | 175.8° | 174.5° |
| O3 | C22 | C23 | H25 | 56.2° | 54.6° |
| C22 | C23 | O4 | H24 | 120.2° | 120.1° |
| C22 | C23 | O4 | H25 | 120.2° | 120.0° |
| C23 | C22 | C24 | H23 | 121.2° | 120.0° |
| C23 | C22 | C24 | O5 | 57.7° | 57.7° |
| C23 | C22 | C24 | C12 | 177.4° | 177.6° |
| C23 | C22 | C24 | H27 | 63.7° | 62.4° |
| C22 | C23 | H24 | H25 | 119.4° | 120.0° |
| C22 | C23 | O4 | H26 | 180.0° | 175.0° |
| O4 | C23 | C22 | C24 | 176.7° | 174.6° |
| O4 | C23 | C22 | H23 | 55.5° | 54.7° |
| O4 | C23 | H24 | H25 | 119.5° | 120.0° |
| C22 | C24 | O5 | C12 | 119.2° | 119.7° |
| C22 | C24 | O5 | H27 | 120.6° | 120.1° |
| C22 | C24 | C12 | H27 | 119.0° | 119.9° |
| C22 | C24 | C12 | H16 | 59.9° | 62.9° |
| C24 | C22 | C23 | H24 | 56.5° | 54.6° |
| C24 | C22 | C23 | H25 | 63.1° | 65.3° |
| C22 | C24 | O5 | H28 | 180.0° | 60.0° |
| O5 | C24 | C12 | H27 | 121.1° | 120.2° |
| O5 | C24 | C22 | H23 | 178.9° | 177.7° |
| O5 | C24 | C12 | H16 | 179.8° | 177.2° |
| O6 | C2 | N1 | C25 | 179.3° | 0.4° |
| O6 | C2 | C3 | H4 | 163.3° | 140.0° |
| N1 | C25 | N5 | C29 | 174.4° | 180.0° |
| N1 | C25 | N5 | C26 | 178.9° | 180.0° |
| N1 | C25 | C29 | C28 | 180.0° | 180.0° |
| C25 | N1 | C1 | H1 | 2.9° | 90.4° |
| C25 | N1 | C1 | H2 | 117.1° | 29.7° |
| C25 | N1 | C1 | H3 | 122.9° | 149.7° |
| N1 | C25 | C29 | H32 | 0.1° | 0.1° |
| C25 | N5 | C26 | C27 | 0.4° | 0.0° |
| N5 | C25 | C29 | C28 | 5.7° | 0.0° |
| C25 | N5 | C26 | H29 | 179.6° | 179.8° |
| N5 | C25 | C29 | H32 | 174.3° | 180.0° |
| N5 | C26 | C27 | H29 | 180.0° | 179.8° |
| N5 | C26 | C27 | C28 | 3.9° | 0.0° |
| C26 | N5 | C25 | C29 | 4.5° | 0.0° |
| N5 | C26 | C27 | H30 | 176.1° | 180.0° |
| C26 | C27 | C28 | H30 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 2.7° | 0.0° |
| C26 | C27 | C28 | H31 | 177.3° | 180.0° |
| C27 | C28 | C29 | H31 | 180.0° | 180.0° |
| C27 | C28 | C29 | C25 | 1.8° | 0.0° |
| C28 | C27 | C26 | H29 | 176.1° | 179.8° |
| C27 | C28 | C29 | H32 | 178.2° | 180.0° |
| C28 | C29 | C25 | H32 | 180.0° | 179.9° |
| C29 | C28 | C27 | H30 | 177.4° | 180.0° |
| C9 | C6 | C5 | H5 | 175.4° | 180.0° |
| C9 | C6 | C5 | H6 | 65.3° | 60.0° |
| C9 | C6 | H7 | H8 | 119.7° | 120.0° |
| C6 | C9 | C8 | H11 | 175.4° | 180.0° |
| C6 | C9 | C8 | H12 | 64.9° | 60.0° |
| C24 | C12 | N2 | C20 | 62.6° | 34.9° |
| C12 | C24 | C22 | H23 | 61.4° | 62.4° |
| C24 | C12 | C11 | H15 | 64.1° | 62.8° |
| C12 | C24 | O5 | H28 | 60.8° | 179.7° |
| C25 | C29 | C28 | H31 | 178.2° | 179.9° |
| C20 | N2 | C12 | H16 | 178.6° | 155.2° |
| C19 | C16 | C15 | H17 | 179.8° | 180.0° |
| H5 | C5 | C6 | H7 | 55.3° | 60.0° |
| H5 | C5 | C6 | H8 | 64.5° | 59.9° |
| H6 | C5 | C6 | H7 | 174.6° | 180.0° |
| H6 | C5 | C6 | H8 | 54.8° | 60.1° |
| H10 | C7 | C8 | H11 | 53.6° | 60.0° |
| H10 | C7 | C8 | H12 | 173.2° | 180.0° |
| H9 | C7 | C8 | H11 | 65.6° | 60.0° |
| H9 | C7 | C8 | H12 | 54.0° | 60.0° |
| H14 | C10 | C11 | H15 | 170.1° | 177.7° |
| H20 | C21 | H21 | H22 | 120.0° | 120.1° |
| H23 | C22 | C24 | H27 | 57.5° | 57.6° |
| H23 | C22 | C23 | H24 | 64.7° | 65.4° |
| H23 | C22 | C23 | H25 | 175.7° | 174.7° |
| H27 | C24 | C12 | H16 | 59.1° | 57.0° |
| H27 | C24 | O5 | H28 | 59.4° | 60.1° |
| H29 | C26 | C27 | H30 | 3.9° | 0.3° |
| H31 | C28 | C27 | H30 | 2.7° | 0.0° |
| H31 | C28 | C29 | H32 | 1.8° | 0.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H15 | C11 | C12 | H16 | 177.8° | 177.2° |
| H24 | C23 | O4 | H26 | 59.8° | 64.9° |
| H25 | C23 | O4 | H26 | 59.8° | 55.0° |
