A89
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| I | C21 | sing | 2.09Å | 2.16Å | |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.48Å | 1.37Å | |
| C16 | O6 | doub | 1.21Å | 1.22Å | |
| C16 | N4 | sing | 1.35Å | 1.38Å | |
| N4 | C15 | sing | 1.46Å | 1.47Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| BR | C27 | sing | 1.89Å | 1.90Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C30 | C26 | sing | 1.51Å | 1.52Å | |
| C13 | C11 | sing | 1.53Å | 1.55Å | |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | C12 | sing | 1.35Å | 1.36Å | |
| C28 | C29 | doub | 1.38Å | 1.37Å | Aromatic |
| C25 | C24 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C11 | N2 | sing | 1.46Å | 1.48Å | |
| C12 | O5 | doub | 1.21Å | 1.21Å | |
| N2 | C10 | sing | 1.35Å | 1.38Å | |
| C29 | C24 | sing | 1.40Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.48Å | 1.36Å | |
| N1 | C23 | sing | 1.35Å | 1.37Å | |
| N1 | C9 | sing | 1.47Å | 1.47Å | |
| C23 | O7 | doub | 1.22Å | 1.22Å | |
| C10 | C9 | sing | 1.51Å | 1.53Å | |
| C10 | O4 | doub | 1.21Å | 1.21Å | |
| C8 | C9 | sing | 1.53Å | 1.56Å | |
| C8 | C5 | sing | 1.51Å | 1.52Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| O2 | P1 | doub | 1.48Å | 1.62Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| F2 | C1 | sing | 1.40Å | 1.37Å | |
| C1 | P1 | sing | 1.82Å | 1.86Å | |
| C1 | F1 | sing | 1.40Å | 1.36Å | |
| P1 | O1 | sing | 1.61Å | 1.49Å | |
| P1 | O3 | sing | 1.61Å | 1.61Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| N4 | H5 | sing | 0.97Å | 1.00Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C22 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| O1 | H30 | sing | 0.97Å | 0.95Å | |
| O3 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| I | C21 | C20 | 119.7° | 119.9° |
| I | C21 | C22 | 119.7° | 120.0° |
| C21 | C20 | C19 | 118.8° | 120.3° |
| C20 | C21 | C22 | 120.6° | 120.1° |
| C21 | C20 | H22 | 120.6° | 119.9° |
| C20 | C19 | C18 | 120.0° | 120.1° |
| C20 | C19 | H21 | 120.0° | 120.0° |
| C19 | C20 | H22 | 120.6° | 119.8° |
| C21 | C22 | C17 | 121.9° | 119.9° |
| C21 | C22 | H23 | 119.0° | 120.0° |
| C19 | C18 | C17 | 122.3° | 119.9° |
| C19 | C18 | H20 | 118.9° | 120.1° |
| C18 | C19 | H21 | 120.0° | 119.9° |
| C22 | C17 | C18 | 116.4° | 119.7° |
| C22 | C17 | C16 | 124.8° | 120.2° |
| C17 | C22 | H23 | 119.1° | 120.1° |
| C18 | C17 | C16 | 118.8° | 120.2° |
| C17 | C18 | H20 | 118.9° | 120.0° |
| C17 | C16 | O6 | 118.1° | 120.0° |
| C17 | C16 | N4 | 128.5° | 120.0° |
| O6 | C16 | N4 | 113.4° | 120.0° |
| C16 | N4 | C15 | 129.5° | 120.0° |
| C16 | N4 | H5 | 115.3° | 120.0° |
| N4 | C15 | C14 | 110.1° | 109.5° |
| C15 | N4 | H5 | 115.3° | 120.0° |
| N4 | C15 | H18 | 109.3° | 109.5° |
| N4 | C15 | H19 | 109.3° | 109.5° |
| C15 | C14 | C13 | 111.3° | 109.5° |
| C15 | C14 | H16 | 109.0° | 109.5° |
| C15 | C14 | H17 | 109.0° | 109.5° |
| C14 | C15 | H18 | 109.3° | 109.5° |
| C14 | C15 | H19 | 109.3° | 109.5° |
| BR | C27 | C26 | 123.2° | 119.9° |
| BR | C27 | C28 | 116.5° | 119.9° |
| C14 | C13 | C11 | 116.2° | 109.4° |
| C14 | C13 | H14 | 107.8° | 109.5° |
| C14 | C13 | H15 | 107.7° | 109.5° |
| C13 | C14 | H16 | 109.0° | 109.5° |
| C13 | C14 | H17 | 109.0° | 109.5° |
| C30 | C26 | C27 | 123.7° | 120.0° |
| C30 | C26 | C25 | 118.6° | 119.9° |
| C26 | C30 | H27 | 109.5° | 109.5° |
| C26 | C30 | H28 | 109.5° | 109.4° |
| C26 | C30 | H29 | 109.5° | 109.5° |
| C13 | C11 | C12 | 110.8° | 109.4° |
| C13 | C11 | N2 | 106.4° | 109.5° |
| C13 | C11 | H13 | 109.1° | 109.4° |
| C11 | C13 | H14 | 107.8° | 109.4° |
| C11 | C13 | H15 | 107.8° | 109.5° |
| C26 | C27 | C28 | 120.3° | 120.2° |
| C27 | C26 | C25 | 117.8° | 120.1° |
| C27 | C28 | C29 | 120.4° | 120.2° |
| C27 | C28 | H25 | 119.8° | 119.9° |
| C26 | C25 | C24 | 122.6° | 119.9° |
| C26 | C25 | H24 | 118.7° | 120.1° |
| N3 | C12 | C11 | 115.7° | 120.0° |
| N3 | C12 | O5 | 120.1° | 120.0° |
| C12 | N3 | H3 | 120.0° | 120.0° |
| C12 | N3 | H4 | 120.0° | 119.9° |
| C28 | C29 | C24 | 120.7° | 119.8° |
| C29 | C28 | H25 | 119.8° | 120.0° |
| C28 | C29 | H26 | 119.7° | 120.0° |
| C25 | C24 | C29 | 118.3° | 119.8° |
| C25 | C24 | C23 | 122.2° | 120.1° |
| C24 | C25 | H24 | 118.7° | 120.1° |
| C12 | C11 | N2 | 111.1° | 109.5° |
| C11 | C12 | O5 | 124.2° | 120.0° |
| C12 | C11 | H13 | 109.2° | 109.5° |
| C11 | N2 | C10 | 125.5° | 120.0° |
| C11 | N2 | H2 | 117.3° | 120.0° |
| N2 | C11 | H13 | 110.1° | 109.5° |
| N2 | C10 | C9 | 114.9° | 120.0° |
| N2 | C10 | O4 | 123.6° | 120.0° |
| C10 | N2 | H2 | 117.2° | 119.9° |
| C29 | C24 | C23 | 119.5° | 120.1° |
| C24 | C29 | H26 | 119.6° | 120.1° |
| C24 | C23 | N1 | 123.8° | 120.0° |
| C24 | C23 | O7 | 120.6° | 120.1° |
| C23 | N1 | C9 | 130.6° | 120.0° |
| N1 | C23 | O7 | 115.6° | 119.9° |
| C23 | N1 | H1 | 114.7° | 120.0° |
| N1 | C9 | C10 | 108.9° | 109.5° |
| N1 | C9 | C8 | 105.5° | 109.5° |
| C9 | N1 | H1 | 114.7° | 120.0° |
| N1 | C9 | H12 | 109.4° | 109.5° |
| C9 | C10 | O4 | 121.5° | 120.0° |
| C10 | C9 | C8 | 116.1° | 109.5° |
| C10 | C9 | H12 | 108.6° | 109.5° |
| C9 | C8 | C5 | 112.3° | 109.5° |
| C9 | C8 | H10 | 108.8° | 109.5° |
| C9 | C8 | H11 | 108.8° | 109.4° |
| C8 | C9 | H12 | 108.2° | 109.5° |
| C8 | C5 | C6 | 120.7° | 120.0° |
| C8 | C5 | C4 | 121.1° | 120.0° |
| C5 | C8 | H10 | 108.7° | 109.5° |
| C5 | C8 | H11 | 108.7° | 109.5° |
| C5 | C6 | C7 | 121.0° | 120.0° |
| C6 | C5 | C4 | 118.2° | 120.0° |
| C5 | C6 | H8 | 119.5° | 120.0° |
| C6 | C7 | C2 | 121.3° | 120.0° |
| C7 | C6 | H8 | 119.5° | 120.0° |
| C6 | C7 | H9 | 119.4° | 120.0° |
| C5 | C4 | C3 | 120.5° | 120.0° |
| C5 | C4 | H7 | 119.8° | 120.0° |
| C7 | C2 | C3 | 117.8° | 120.0° |
| C7 | C2 | C1 | 120.9° | 120.0° |
| C2 | C7 | H9 | 119.4° | 120.0° |
| O2 | P1 | C1 | 108.3° | 109.5° |
| O2 | P1 | O1 | 109.8° | 109.5° |
| O2 | P1 | O3 | 110.5° | 109.5° |
| C4 | C3 | C2 | 121.2° | 120.0° |
| C4 | C3 | H6 | 119.4° | 120.1° |
| C3 | C4 | H7 | 119.7° | 119.9° |
| C3 | C2 | C1 | 121.3° | 120.0° |
| C2 | C3 | H6 | 119.4° | 120.0° |
| C2 | C1 | F2 | 112.0° | 109.5° |
| C2 | C1 | P1 | 113.5° | 109.5° |
| C2 | C1 | F1 | 111.3° | 109.4° |
| F2 | C1 | P1 | 106.6° | 109.5° |
| F2 | C1 | F1 | 106.9° | 109.5° |
| P1 | C1 | F1 | 106.2° | 109.5° |
| C1 | P1 | O1 | 111.6° | 109.5° |
| C1 | P1 | O3 | 107.0° | 109.4° |
| O1 | P1 | O3 | 109.5° | 109.5° |
| P1 | O1 | H30 | 109.5° | 114.0° |
| P1 | O3 | H31 | 109.5° | 114.0° |
| H3 | N3 | H4 | 120.0° | 120.0° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.4° |
| H27 | C30 | H28 | 109.4° | 109.5° |
| H27 | C30 | H29 | 109.5° | 109.5° |
| H28 | C30 | H29 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| I | C21 | C20 | C22 | 179.8° | 179.7° |
| I | C21 | C20 | C19 | 179.9° | 180.0° |
| I | C21 | C22 | C17 | 180.0° | 179.7° |
| I | C21 | C20 | H22 | 0.1° | 0.3° |
| I | C21 | C22 | H23 | 0.0° | 0.2° |
| C21 | C20 | C19 | H22 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 0.1° | 0.0° |
| C20 | C21 | C22 | C17 | 0.2° | 0.6° |
| C21 | C20 | C19 | H21 | 179.9° | 180.0° |
| C20 | C21 | C22 | H23 | 179.9° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.3° |
| C20 | C19 | C18 | H21 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.1° | 0.0° |
| C20 | C19 | C18 | H20 | 179.9° | 180.0° |
| C21 | C22 | C17 | H23 | 180.0° | 179.4° |
| C21 | C22 | C17 | C18 | 0.2° | 0.6° |
| C21 | C22 | C17 | C16 | 179.8° | 179.7° |
| C22 | C21 | C20 | H22 | 179.9° | 180.0° |
| C19 | C18 | C17 | C22 | 0.2° | 0.3° |
| C19 | C18 | C17 | H20 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 179.9° | 180.0° |
| C18 | C19 | C20 | H22 | 179.9° | 179.7° |
| C22 | C17 | C18 | C16 | 180.0° | 179.7° |
| C22 | C17 | C16 | O6 | 72.1° | 179.7° |
| C22 | C17 | C16 | N4 | 108.1° | 0.3° |
| C22 | C17 | C18 | H20 | 179.8° | 179.7° |
| C18 | C17 | C16 | O6 | 107.9° | 0.0° |
| C18 | C17 | C16 | N4 | 71.9° | 180.0° |
| C17 | C18 | C19 | H21 | 179.9° | 180.0° |
| C18 | C17 | C22 | H23 | 179.8° | 180.0° |
| C17 | C16 | O6 | N4 | 179.9° | 180.0° |
| C17 | C16 | N4 | C15 | 131.8° | 180.0° |
| C17 | C16 | N4 | H5 | 48.1° | 0.0° |
| C16 | C17 | C18 | H20 | 0.2° | 0.0° |
| C16 | C17 | C22 | H23 | 0.2° | 0.3° |
| O6 | C16 | N4 | C15 | 48.3° | 0.0° |
| O6 | C16 | N4 | H5 | 131.7° | 179.9° |
| C16 | N4 | C15 | H5 | 180.0° | 180.0° |
| C16 | N4 | C15 | C14 | 145.0° | 180.0° |
| C16 | N4 | C15 | H18 | 94.9° | 60.0° |
| C16 | N4 | C15 | H19 | 24.9° | 60.0° |
| N4 | C15 | C14 | H18 | 120.1° | 120.0° |
| N4 | C15 | C14 | H19 | 120.1° | 120.0° |
| N4 | C15 | C14 | C13 | 54.4° | 180.0° |
| N4 | C15 | C14 | H16 | 65.8° | 60.0° |
| N4 | C15 | C14 | H17 | 174.7° | 60.0° |
| N4 | C15 | H18 | H19 | 119.7° | 120.0° |
| C15 | C14 | C13 | H16 | 120.3° | 120.0° |
| C15 | C14 | C13 | H17 | 120.3° | 120.0° |
| C15 | C14 | C13 | C11 | 142.0° | 180.0° |
| C14 | C15 | N4 | H5 | 35.0° | 0.0° |
| C15 | C14 | C13 | H14 | 21.1° | 60.0° |
| C15 | C14 | C13 | H15 | 97.0° | 60.0° |
| C15 | C14 | H16 | H17 | 119.1° | 120.0° |
| C14 | C15 | H18 | H19 | 119.7° | 120.0° |
| BR | C27 | C26 | C30 | 0.1° | 0.0° |
| BR | C27 | C26 | C28 | 179.8° | 180.0° |
| BR | C27 | C26 | C25 | 179.8° | 180.0° |
| BR | C27 | C28 | C29 | 179.8° | 179.7° |
| BR | C27 | C28 | H25 | 0.2° | 0.1° |
| C14 | C13 | C11 | H14 | 121.0° | 119.9° |
| C14 | C13 | C11 | H15 | 121.0° | 120.0° |
| C14 | C13 | C11 | C12 | 98.8° | 175.0° |
| C14 | C13 | C11 | N2 | 140.4° | 65.0° |
| C14 | C13 | C11 | H13 | 21.6° | 55.0° |
| C14 | C13 | H14 | H15 | 116.9° | 120.0° |
| C13 | C14 | H16 | H17 | 119.1° | 120.0° |
| C13 | C14 | C15 | H18 | 174.5° | 60.0° |
| C13 | C14 | C15 | H19 | 65.7° | 60.0° |
| C30 | C26 | C27 | C25 | 179.9° | 180.0° |
| C30 | C26 | C27 | C28 | 179.9° | 180.0° |
| C30 | C26 | C25 | C24 | 179.9° | 180.0° |
| C30 | C26 | C25 | H24 | 0.1° | 0.0° |
| C26 | C30 | H27 | H28 | 120.0° | 120.0° |
| C26 | C30 | H27 | H29 | 120.0° | 120.0° |
| C26 | C30 | H28 | H29 | 120.0° | 119.9° |
| C13 | C11 | C12 | N3 | 63.7° | 60.0° |
| C13 | C11 | C12 | N2 | 118.1° | 120.0° |
| C13 | C11 | C12 | H13 | 120.3° | 119.9° |
| C13 | C11 | N2 | H13 | 118.2° | 120.0° |
| C13 | C11 | C12 | O5 | 116.9° | 120.0° |
| C13 | C11 | N2 | C10 | 158.4° | 155.0° |
| C13 | C11 | N2 | H2 | 21.6° | 25.0° |
| C11 | C13 | H14 | H15 | 117.0° | 120.0° |
| C11 | C13 | C14 | H16 | 97.7° | 60.1° |
| C11 | C13 | C14 | H17 | 21.8° | 60.0° |
| C26 | C27 | C28 | C29 | 0.0° | 0.3° |
| C27 | C26 | C25 | C24 | 0.0° | 0.0° |
| C27 | C26 | C25 | H24 | 180.0° | 180.0° |
| C26 | C27 | C28 | H25 | 180.0° | 180.0° |
| C27 | C26 | C30 | H27 | 90.0° | 90.0° |
| C27 | C26 | C30 | H28 | 150.0° | 30.0° |
| C27 | C26 | C30 | H29 | 30.0° | 150.0° |
| C28 | C27 | C26 | C25 | 0.0° | 0.0° |
| C27 | C28 | C29 | H25 | 180.0° | 179.8° |
| C27 | C28 | C29 | C24 | 0.0° | 0.6° |
| C27 | C28 | C29 | H26 | 180.0° | 180.0° |
| C26 | C25 | C24 | H24 | 180.0° | 180.0° |
| C26 | C25 | C24 | C29 | 0.0° | 0.2° |
| C26 | C25 | C24 | C23 | 179.4° | 180.0° |
| C25 | C26 | C30 | H27 | 90.0° | 90.0° |
| C25 | C26 | C30 | H28 | 29.9° | 150.0° |
| C25 | C26 | C30 | H29 | 150.0° | 30.0° |
| N3 | C12 | C11 | O5 | 179.5° | 180.0° |
| N3 | C12 | C11 | N2 | 54.4° | 180.0° |
| C12 | N3 | H3 | H4 | 180.0° | 180.0° |
| N3 | C12 | C11 | H13 | 176.0° | 60.0° |
| C28 | C29 | C24 | C25 | 0.0° | 0.5° |
| C28 | C29 | C24 | H26 | 180.0° | 179.4° |
| C28 | C29 | C24 | C23 | 179.5° | 179.7° |
| C25 | C24 | C29 | C23 | 179.5° | 179.7° |
| C25 | C24 | C23 | N1 | 80.2° | 179.7° |
| C25 | C24 | C23 | O7 | 99.6° | 0.0° |
| C25 | C24 | C29 | H26 | 180.0° | 180.0° |
| C12 | C11 | N2 | H13 | 121.1° | 120.0° |
| C12 | C11 | N2 | C10 | 80.9° | 85.0° |
| C12 | C11 | N2 | H2 | 99.1° | 95.0° |
| C11 | C12 | N3 | H3 | 179.5° | 0.0° |
| C11 | C12 | N3 | H4 | 0.5° | 180.0° |
| C12 | C11 | C13 | H14 | 22.2° | 65.1° |
| C12 | C11 | C13 | H15 | 140.2° | 55.0° |
| N2 | C11 | C12 | O5 | 125.0° | 0.0° |
| C11 | N2 | C10 | H2 | 180.0° | 180.0° |
| C11 | N2 | C10 | C9 | 145.0° | 180.0° |
| C11 | N2 | C10 | O4 | 34.6° | 0.0° |
| N2 | C11 | C13 | H14 | 98.7° | 55.0° |
| N2 | C11 | C13 | H15 | 19.4° | 175.0° |
| O5 | C12 | N3 | H3 | 0.0° | 180.0° |
| O5 | C12 | N3 | H4 | 180.0° | 0.0° |
| O5 | C12 | C11 | H13 | 3.4° | 120.0° |
| N2 | C10 | C9 | N1 | 45.8° | 160.0° |
| N2 | C10 | C9 | O4 | 179.7° | 179.9° |
| N2 | C10 | C9 | C8 | 73.0° | 80.1° |
| N2 | C10 | C9 | H12 | 164.9° | 40.0° |
| C10 | N2 | C11 | H13 | 40.2° | 35.0° |
| C29 | C24 | C23 | N1 | 99.2° | 0.6° |
| C29 | C24 | C23 | O7 | 81.0° | 179.7° |
| C29 | C24 | C25 | H24 | 180.0° | 179.7° |
| C24 | C29 | C28 | H25 | 180.0° | 179.7° |
| C24 | C23 | N1 | O7 | 179.8° | 179.7° |
| C24 | C23 | N1 | C9 | 177.5° | 179.7° |
| C24 | C23 | N1 | H1 | 2.5° | 0.3° |
| C23 | C24 | C25 | H24 | 0.6° | 0.0° |
| C23 | C24 | C29 | H26 | 0.5° | 0.3° |
| C23 | N1 | C9 | H1 | 180.0° | 179.9° |
| C23 | N1 | C9 | C10 | 111.4° | 60.0° |
| C23 | N1 | C9 | C8 | 123.3° | 60.0° |
| C23 | N1 | C9 | H12 | 7.1° | 180.0° |
| C9 | N1 | C23 | O7 | 2.7° | 0.0° |
| N1 | C9 | C10 | C8 | 118.8° | 120.0° |
| N1 | C9 | C10 | H12 | 119.0° | 120.0° |
| N1 | C9 | C10 | O4 | 134.5° | 20.0° |
| N1 | C9 | C8 | H12 | 117.0° | 120.0° |
| N1 | C9 | C8 | C5 | 178.5° | 65.0° |
| N1 | C9 | C8 | H10 | 61.0° | 55.0° |
| N1 | C9 | C8 | H11 | 58.1° | 175.0° |
| O7 | C23 | N1 | H1 | 177.3° | 180.0° |
| C10 | C9 | C8 | H12 | 122.3° | 120.0° |
| C10 | C9 | C8 | C5 | 57.9° | 175.0° |
| C10 | C9 | N1 | H1 | 68.6° | 120.1° |
| C9 | C10 | N2 | H2 | 35.0° | 0.0° |
| C10 | C9 | C8 | H10 | 178.3° | 65.0° |
| C10 | C9 | C8 | H11 | 62.5° | 55.0° |
| O4 | C10 | C9 | C8 | 106.7° | 100.0° |
| O4 | C10 | N2 | H2 | 145.3° | 180.0° |
| O4 | C10 | C9 | H12 | 15.4° | 140.0° |
| C9 | C8 | C5 | H10 | 120.4° | 120.0° |
| C9 | C8 | C5 | H11 | 120.4° | 120.0° |
| C9 | C8 | C5 | C6 | 96.2° | 89.8° |
| C9 | C8 | C5 | C4 | 83.5° | 90.1° |
| C8 | C9 | N1 | H1 | 56.7° | 120.0° |
| C9 | C8 | H10 | H11 | 118.7° | 119.9° |
| C8 | C5 | C6 | C4 | 179.8° | 179.9° |
| C8 | C5 | C6 | C7 | 179.5° | 180.0° |
| C8 | C5 | C4 | C3 | 179.6° | 180.0° |
| C8 | C5 | C4 | H7 | 0.4° | 0.1° |
| C8 | C5 | C6 | H8 | 0.5° | 0.1° |
| C5 | C8 | H10 | H11 | 118.7° | 120.1° |
| C5 | C8 | C9 | H12 | 64.4° | 55.0° |
| C5 | C6 | C7 | H8 | 180.0° | 179.9° |
| C5 | C6 | C7 | C2 | 0.1° | 0.1° |
| C6 | C5 | C4 | C3 | 0.2° | 0.2° |
| C6 | C5 | C4 | H7 | 179.8° | 179.7° |
| C5 | C6 | C7 | H9 | 179.9° | 180.0° |
| C6 | C5 | C8 | H10 | 143.3° | 150.2° |
| C6 | C5 | C8 | H11 | 24.2° | 30.2° |
| C7 | C6 | C5 | C4 | 0.2° | 0.1° |
| C6 | C7 | C2 | H9 | 180.0° | 179.9° |
| C6 | C7 | C2 | C3 | 0.1° | 0.3° |
| C6 | C7 | C2 | C1 | 179.5° | 179.9° |
| C5 | C4 | C3 | H7 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C5 | C4 | C3 | H6 | 180.0° | 179.9° |
| C4 | C5 | C6 | H8 | 179.7° | 179.8° |
| C4 | C5 | C8 | H10 | 36.9° | 29.9° |
| C4 | C5 | C8 | H11 | 156.0° | 150.0° |
| C7 | C2 | C3 | C4 | 0.2° | 0.2° |
| C7 | C2 | C3 | C1 | 179.6° | 179.8° |
| C7 | C2 | C1 | F2 | 28.8° | 149.0° |
| C7 | C2 | C1 | P1 | 92.0° | 91.0° |
| C7 | C2 | C1 | F1 | 148.3° | 29.0° |
| C7 | C2 | C3 | H6 | 179.8° | 179.7° |
| C2 | C7 | C6 | H8 | 179.9° | 180.0° |
| O2 | P1 | C1 | C2 | 55.4° | 176.3° |
| O2 | P1 | C1 | F2 | 68.3° | 56.3° |
| O2 | P1 | C1 | O1 | 121.0° | 120.0° |
| O2 | P1 | C1 | O3 | 119.2° | 120.0° |
| O2 | P1 | C1 | F1 | 178.0° | 63.7° |
| O2 | P1 | O1 | O3 | 121.5° | 120.0° |
| O2 | P1 | O1 | H30 | 0.0° | 60.0° |
| O2 | P1 | O3 | H31 | 0.0° | 177.1° |
| C4 | C3 | C2 | H6 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 179.4° | 180.0° |
| C3 | C2 | C1 | F2 | 150.8° | 30.8° |
| C3 | C2 | C1 | P1 | 88.4° | 89.2° |
| C3 | C2 | C1 | F1 | 31.3° | 150.8° |
| C2 | C3 | C4 | H7 | 180.0° | 179.9° |
| C3 | C2 | C7 | H9 | 179.9° | 179.8° |
| C2 | C1 | F2 | P1 | 124.6° | 120.0° |
| C2 | C1 | F2 | F1 | 122.1° | 120.0° |
| C2 | C1 | P1 | F1 | 122.5° | 120.0° |
| C2 | C1 | P1 | O1 | 65.6° | 56.3° |
| C2 | C1 | P1 | O3 | 174.6° | 63.7° |
| C1 | C2 | C3 | H6 | 0.6° | 0.1° |
| C1 | C2 | C7 | H9 | 0.5° | 0.0° |
| F2 | C1 | P1 | F1 | 113.7° | 120.0° |
| F2 | C1 | P1 | O1 | 170.7° | 63.7° |
| F2 | C1 | P1 | O3 | 50.8° | 176.3° |
| C1 | P1 | O1 | O3 | 118.3° | 120.0° |
| C1 | P1 | O1 | H30 | 120.1° | 180.0° |
| C1 | P1 | O3 | H31 | 117.8° | 57.1° |
| F1 | C1 | P1 | O1 | 57.0° | 176.2° |
| F1 | C1 | P1 | O3 | 62.9° | 56.3° |
| O1 | P1 | O3 | H31 | 121.1° | 62.9° |
| O3 | P1 | O1 | H30 | 121.5° | 60.0° |
| H1 | N1 | C9 | H12 | 172.9° | 0.0° |
| H2 | N2 | C11 | H13 | 139.8° | 144.9° |
| H5 | N4 | C15 | H18 | 85.1° | 120.0° |
| H5 | N4 | C15 | H19 | 155.1° | 120.1° |
| H6 | C3 | C4 | H7 | 0.0° | 0.0° |
| H8 | C6 | C7 | H9 | 0.1° | 0.1° |
| H10 | C8 | C9 | H12 | 56.0° | 175.0° |
| H11 | C8 | C9 | H12 | 175.2° | 65.0° |
| H13 | C11 | C13 | H14 | 142.6° | 175.0° |
| H13 | C11 | C13 | H15 | 99.4° | 65.0° |
| H14 | C13 | C14 | H16 | 141.4° | 180.0° |
| H14 | C13 | C14 | H17 | 99.2° | 60.0° |
| H15 | C13 | C14 | H16 | 23.3° | 59.9° |
| H15 | C13 | C14 | H17 | 142.8° | 180.0° |
| H16 | C14 | C15 | H18 | 54.2° | 60.0° |
| H16 | C14 | C15 | H19 | 174.1° | 179.9° |
| H17 | C14 | C15 | H18 | 65.2° | 180.0° |
| H17 | C14 | C15 | H19 | 54.6° | 60.1° |
| H20 | C18 | C19 | H21 | 0.1° | 0.0° |
| H21 | C19 | C20 | H22 | 0.1° | 0.3° |
| H25 | C28 | C29 | H26 | 0.0° | 0.3° |
| H27 | C30 | H28 | H29 | 120.0° | 120.0° |
