75A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| I | C21 | sing | 2.09Å | 2.17Å | |
| 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 | 1.22Å | 1.22Å | |
| C16 | N4 | sing | 1.35Å | 1.37Å | |
| N4 | C15 | sing | 1.46Å | 1.46Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C11 | sing | 1.53Å | 1.55Å | |
| N3 | C12 | sing | 1.35Å | 1.36Å | |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C11 | N2 | sing | 1.47Å | 1.48Å | |
| C12 | O5 | doub | 1.21Å | 1.21Å | |
| N2 | C10 | sing | 1.35Å | 1.38Å | |
| N1 | C23 | sing | 1.35Å | 1.37Å | |
| N1 | C9 | sing | 1.46Å | 1.47Å | |
| C24 | C23 | sing | 1.51Å | 1.36Å | |
| C10 | C9 | sing | 1.51Å | 1.54Å | |
| C10 | O4 | doub | 1.21Å | 1.21Å | |
| C23 | O7 | doub | 1.21Å | 1.21Å | |
| C8 | C9 | sing | 1.53Å | 1.57Å | |
| C8 | C5 | sing | 1.51Å | 1.53Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| O2 | P1 | doub | 1.48Å | 1.61Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| P1 | C1 | sing | 1.82Å | 1.87Å | |
| P1 | O1 | sing | 1.61Å | 1.49Å | |
| P1 | O3 | sing | 1.61Å | 1.61Å | |
| C1 | F2 | sing | 1.40Å | 1.38Å | |
| C1 | F1 | sing | 1.40Å | 1.36Å | |
| 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 | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| O1 | H27 | sing | 0.97Å | 0.95Å | |
| O3 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| I | C21 | C20 | 119.7° | 120.0° |
| I | C21 | C22 | 119.8° | 119.9° |
| C21 | C20 | C19 | 119.0° | 120.3° |
| C20 | C21 | C22 | 120.5° | 120.1° |
| C21 | C20 | H22 | 120.5° | 119.8° |
| C20 | C19 | C18 | 120.0° | 120.1° |
| C20 | C19 | H21 | 120.0° | 119.9° |
| C19 | C20 | H22 | 120.5° | 119.8° |
| C21 | C22 | C17 | 121.9° | 119.8° |
| C21 | C22 | H23 | 119.1° | 120.1° |
| C19 | C18 | C17 | 121.9° | 119.9° |
| C19 | C18 | H20 | 119.1° | 120.1° |
| C18 | C19 | H21 | 120.0° | 119.9° |
| C22 | C17 | C18 | 116.7° | 119.7° |
| C22 | C17 | C16 | 124.7° | 120.1° |
| C17 | C22 | H23 | 119.1° | 120.1° |
| C18 | C17 | C16 | 118.6° | 120.1° |
| C17 | C18 | H20 | 119.1° | 120.0° |
| C17 | C16 | O6 | 118.1° | 120.0° |
| C17 | C16 | N4 | 127.9° | 120.0° |
| O6 | C16 | N4 | 114.0° | 119.9° |
| C16 | N4 | C15 | 130.1° | 120.0° |
| C16 | N4 | H5 | 115.0° | 119.9° |
| N4 | C15 | C14 | 109.0° | 109.5° |
| C15 | N4 | H5 | 115.0° | 120.0° |
| N4 | C15 | H18 | 109.6° | 109.5° |
| N4 | C15 | H19 | 109.6° | 109.5° |
| C15 | C14 | C13 | 111.0° | 109.5° |
| C15 | C14 | H16 | 109.1° | 109.4° |
| C15 | C14 | H17 | 109.1° | 109.5° |
| C14 | C15 | H18 | 109.6° | 109.5° |
| C14 | C15 | H19 | 109.6° | 109.5° |
| C14 | C13 | C11 | 115.3° | 109.5° |
| C14 | C13 | H14 | 108.0° | 109.4° |
| C14 | C13 | H15 | 108.0° | 109.5° |
| C13 | C14 | H16 | 109.1° | 109.4° |
| C13 | C14 | H17 | 109.1° | 109.5° |
| C13 | C11 | C12 | 110.7° | 109.5° |
| C13 | C11 | N2 | 108.1° | 109.5° |
| C13 | C11 | H13 | 108.3° | 109.4° |
| C11 | C13 | H14 | 108.0° | 109.5° |
| C11 | C13 | H15 | 108.0° | 109.5° |
| N3 | C12 | C11 | 116.0° | 120.0° |
| N3 | C12 | O5 | 120.2° | 120.0° |
| C12 | N3 | H3 | 120.0° | 120.1° |
| C12 | N3 | H4 | 120.0° | 120.0° |
| C12 | C11 | N2 | 112.0° | 109.4° |
| C11 | C12 | O5 | 123.8° | 120.0° |
| C12 | C11 | H13 | 108.4° | 109.5° |
| C11 | N2 | C10 | 124.3° | 120.0° |
| C11 | N2 | H2 | 117.9° | 120.0° |
| N2 | C11 | H13 | 109.2° | 109.5° |
| N2 | C10 | C9 | 115.8° | 120.0° |
| N2 | C10 | O4 | 122.9° | 120.0° |
| C10 | N2 | H2 | 117.8° | 120.1° |
| C23 | N1 | C9 | 129.2° | 120.0° |
| N1 | C23 | C24 | 125.7° | 120.0° |
| N1 | C23 | O7 | 114.4° | 120.0° |
| C23 | N1 | H1 | 115.4° | 120.0° |
| N1 | C9 | C10 | 110.0° | 109.5° |
| N1 | C9 | C8 | 106.4° | 109.5° |
| C9 | N1 | H1 | 115.4° | 120.0° |
| N1 | C9 | H12 | 108.7° | 109.5° |
| C24 | C23 | O7 | 119.9° | 120.0° |
| C23 | C24 | H24 | 109.5° | 109.5° |
| C23 | C24 | H25 | 109.5° | 109.5° |
| C23 | C24 | H26 | 109.5° | 109.5° |
| C9 | C10 | O4 | 121.2° | 120.0° |
| C10 | C9 | C8 | 116.0° | 109.5° |
| C10 | C9 | H12 | 107.9° | 109.5° |
| C9 | C8 | C5 | 112.0° | 109.5° |
| C9 | C8 | H10 | 108.9° | 109.5° |
| C9 | C8 | H11 | 108.8° | 109.5° |
| C8 | C9 | H12 | 107.6° | 109.5° |
| C8 | C5 | C6 | 121.2° | 120.0° |
| C8 | C5 | C4 | 121.0° | 120.0° |
| C5 | C8 | H10 | 108.8° | 109.5° |
| C5 | C8 | H11 | 108.9° | 109.4° |
| C5 | C6 | C7 | 121.3° | 120.0° |
| C6 | C5 | C4 | 117.8° | 120.0° |
| C5 | C6 | H8 | 119.3° | 120.0° |
| C6 | C7 | C2 | 121.2° | 119.9° |
| C7 | C6 | H8 | 119.4° | 119.9° |
| C6 | C7 | H9 | 119.4° | 120.0° |
| C5 | C4 | C3 | 121.1° | 120.0° |
| C5 | C4 | H7 | 119.5° | 120.0° |
| C7 | C2 | C3 | 117.2° | 120.1° |
| C7 | C2 | C1 | 121.7° | 120.0° |
| C2 | C7 | H9 | 119.4° | 120.0° |
| O2 | P1 | C1 | 110.2° | 109.5° |
| O2 | P1 | O1 | 108.4° | 109.5° |
| O2 | P1 | O3 | 110.0° | 109.5° |
| C4 | C3 | C2 | 121.4° | 119.9° |
| C4 | C3 | H6 | 119.3° | 120.0° |
| C3 | C4 | H7 | 119.5° | 120.0° |
| C3 | C2 | C1 | 121.1° | 120.0° |
| C2 | C3 | H6 | 119.3° | 120.0° |
| C2 | C1 | P1 | 114.0° | 109.5° |
| C2 | C1 | F2 | 112.6° | 109.5° |
| C2 | C1 | F1 | 111.2° | 109.4° |
| C1 | P1 | O1 | 112.3° | 109.5° |
| C1 | P1 | O3 | 106.8° | 109.5° |
| P1 | C1 | F2 | 106.4° | 109.5° |
| P1 | C1 | F1 | 106.4° | 109.4° |
| O1 | P1 | O3 | 109.2° | 109.4° |
| P1 | O1 | H27 | 109.5° | 114.0° |
| P1 | O3 | H28 | 109.5° | 114.0° |
| F2 | C1 | F1 | 105.6° | 109.5° |
| H3 | N3 | H4 | 120.0° | 119.9° |
| 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° |
| H24 | C24 | H25 | 109.4° | 109.4° |
| H24 | C24 | H26 | 109.5° | 109.4° |
| H25 | C24 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| I | C21 | C20 | C22 | 179.9° | 179.7° |
| I | C21 | C20 | C19 | 180.0° | 180.0° |
| I | C21 | C22 | C17 | 179.9° | 179.7° |
| I | C21 | C20 | H22 | 0.0° | 0.3° |
| I | C21 | C22 | H23 | 0.1° | 0.2° |
| C21 | C20 | C19 | H22 | 180.0° | 179.6° |
| C21 | C20 | C19 | C18 | 0.1° | 0.0° |
| C20 | C21 | C22 | C17 | 0.1° | 0.6° |
| C21 | C20 | C19 | H21 | 179.9° | 180.0° |
| C20 | C21 | C22 | H23 | 179.9° | 179.9° |
| C19 | C20 | C21 | C22 | 0.0° | 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° | 179.5° |
| C21 | C22 | C17 | C18 | 0.2° | 0.6° |
| C21 | C22 | C17 | C16 | 179.7° | 179.7° |
| C22 | C21 | C20 | H22 | 180.0° | 179.9° |
| C19 | C18 | C17 | C22 | 0.1° | 0.3° |
| C19 | C18 | C17 | H20 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 179.8° | 180.0° |
| C18 | C19 | C20 | H22 | 179.9° | 179.7° |
| C22 | C17 | C18 | C16 | 179.9° | 179.7° |
| C22 | C17 | C16 | O6 | 80.1° | 179.7° |
| C22 | C17 | C16 | N4 | 100.0° | 0.3° |
| C22 | C17 | C18 | H20 | 180.0° | 179.7° |
| C18 | C17 | C16 | O6 | 100.0° | 0.1° |
| C18 | C17 | C16 | N4 | 79.9° | 180.0° |
| C17 | C18 | C19 | H21 | 179.9° | 180.0° |
| C18 | C17 | C22 | H23 | 179.8° | 179.9° |
| C17 | C16 | O6 | N4 | 179.9° | 179.9° |
| C17 | C16 | N4 | C15 | 144.0° | 180.0° |
| C17 | C16 | N4 | H5 | 36.0° | 0.1° |
| C16 | C17 | C18 | H20 | 0.1° | 0.0° |
| C16 | C17 | C22 | H23 | 0.3° | 0.2° |
| O6 | C16 | N4 | C15 | 36.2° | 0.1° |
| O6 | C16 | N4 | H5 | 143.8° | 180.0° |
| C16 | N4 | C15 | H5 | 180.0° | 179.9° |
| C16 | N4 | C15 | C14 | 130.1° | 180.0° |
| C16 | N4 | C15 | H18 | 110.0° | 60.0° |
| C16 | N4 | C15 | H19 | 10.2° | 59.9° |
| N4 | C15 | C14 | H18 | 119.9° | 120.1° |
| N4 | C15 | C14 | H19 | 119.9° | 120.0° |
| N4 | C15 | C14 | C13 | 81.9° | 180.0° |
| N4 | C15 | C14 | H16 | 38.3° | 60.1° |
| N4 | C15 | C14 | H17 | 157.9° | 60.0° |
| N4 | C15 | H18 | H19 | 120.2° | 120.0° |
| C15 | C14 | C13 | H16 | 120.2° | 119.9° |
| C15 | C14 | C13 | H17 | 120.2° | 120.0° |
| C15 | C14 | C13 | C11 | 136.2° | 180.0° |
| C14 | C15 | N4 | H5 | 49.8° | 0.0° |
| C15 | C14 | C13 | H14 | 15.4° | 60.0° |
| C15 | C14 | C13 | H15 | 102.9° | 59.9° |
| C15 | C14 | H16 | H17 | 119.3° | 120.0° |
| C14 | C15 | H18 | H19 | 120.2° | 120.0° |
| C14 | C13 | C11 | H14 | 120.9° | 119.9° |
| C14 | C13 | C11 | H15 | 120.8° | 120.1° |
| C14 | C13 | C11 | C12 | 98.9° | 175.0° |
| C14 | C13 | C11 | N2 | 138.1° | 65.0° |
| C14 | C13 | C11 | H13 | 19.8° | 55.0° |
| C14 | C13 | H14 | H15 | 117.4° | 120.0° |
| C13 | C14 | H16 | H17 | 119.3° | 120.0° |
| C13 | C14 | C15 | H18 | 158.2° | 59.9° |
| C13 | C14 | C15 | H19 | 38.0° | 60.0° |
| C13 | C11 | C12 | N3 | 66.3° | 60.0° |
| C13 | C11 | C12 | N2 | 120.8° | 120.0° |
| C13 | C11 | C12 | H13 | 118.6° | 120.0° |
| C13 | C11 | N2 | H13 | 117.6° | 120.0° |
| C13 | C11 | C12 | O5 | 113.7° | 120.0° |
| C13 | C11 | N2 | C10 | 149.3° | 154.9° |
| C13 | C11 | N2 | H2 | 30.7° | 24.9° |
| C11 | C13 | H14 | H15 | 117.4° | 120.0° |
| C11 | C13 | C14 | H16 | 103.5° | 60.1° |
| C11 | C13 | C14 | H17 | 16.0° | 60.0° |
| N3 | C12 | C11 | O5 | 179.9° | 180.0° |
| N3 | C12 | C11 | N2 | 54.4° | 180.0° |
| C12 | N3 | H3 | H4 | 180.0° | 180.0° |
| N3 | C12 | C11 | H13 | 175.0° | 60.0° |
| C12 | C11 | N2 | H13 | 120.1° | 120.0° |
| C12 | C11 | N2 | C10 | 88.4° | 85.1° |
| C12 | C11 | N2 | H2 | 91.6° | 95.1° |
| C11 | C12 | N3 | H3 | 179.9° | 0.0° |
| C11 | C12 | N3 | H4 | 0.1° | 180.0° |
| C12 | C11 | C13 | H14 | 22.0° | 65.0° |
| C12 | C11 | C13 | H15 | 140.3° | 55.0° |
| N2 | C11 | C12 | O5 | 125.5° | 0.0° |
| C11 | N2 | C10 | H2 | 180.0° | 179.9° |
| C11 | N2 | C10 | C9 | 127.6° | 180.0° |
| C11 | N2 | C10 | O4 | 53.1° | 0.1° |
| N2 | C11 | C13 | H14 | 101.1° | 54.9° |
| N2 | C11 | C13 | H15 | 17.2° | 174.9° |
| O5 | C12 | N3 | H3 | 0.0° | 180.0° |
| O5 | C12 | N3 | H4 | 180.0° | 0.0° |
| O5 | C12 | C11 | H13 | 4.9° | 120.0° |
| N2 | C10 | C9 | N1 | 47.1° | 160.1° |
| N2 | C10 | C9 | O4 | 179.3° | 179.9° |
| N2 | C10 | C9 | C8 | 73.7° | 80.0° |
| N2 | C10 | C9 | H12 | 165.6° | 40.1° |
| C10 | N2 | C11 | H13 | 31.7° | 35.0° |
| C23 | N1 | C9 | H1 | 180.0° | 179.9° |
| N1 | C23 | C24 | O7 | 179.3° | 179.8° |
| C23 | N1 | C9 | C10 | 98.7° | 60.0° |
| C23 | N1 | C9 | C8 | 135.0° | 60.0° |
| C23 | N1 | C9 | H12 | 19.3° | 179.9° |
| N1 | C23 | C24 | H24 | 179.3° | 179.8° |
| N1 | C23 | C24 | H25 | 60.8° | 59.8° |
| N1 | C23 | C24 | H26 | 59.2° | 60.3° |
| C9 | N1 | C23 | C24 | 100.0° | 179.8° |
| N1 | C9 | C10 | C8 | 120.8° | 120.0° |
| N1 | C9 | C10 | H12 | 118.5° | 120.0° |
| N1 | C9 | C10 | O4 | 132.2° | 20.0° |
| C9 | N1 | C23 | O7 | 80.7° | 0.1° |
| N1 | C9 | C8 | H12 | 116.4° | 120.0° |
| N1 | C9 | C8 | C5 | 163.6° | 65.0° |
| N1 | C9 | C8 | H10 | 43.2° | 55.0° |
| N1 | C9 | C8 | H11 | 76.0° | 175.0° |
| C24 | C23 | N1 | H1 | 80.0° | 0.2° |
| C23 | C24 | H24 | H25 | 120.0° | 120.0° |
| C23 | C24 | H24 | H26 | 120.0° | 120.0° |
| C23 | C24 | H25 | H26 | 120.0° | 120.1° |
| C10 | C9 | C8 | H12 | 120.9° | 120.0° |
| C10 | C9 | C8 | C5 | 73.7° | 175.0° |
| C10 | C9 | N1 | H1 | 81.4° | 120.0° |
| C9 | C10 | N2 | H2 | 52.4° | 0.1° |
| C10 | C9 | C8 | H10 | 165.9° | 65.0° |
| C10 | C9 | C8 | H11 | 46.7° | 55.0° |
| O4 | C10 | C9 | C8 | 107.0° | 100.0° |
| O4 | C10 | N2 | H2 | 126.9° | 180.0° |
| O4 | C10 | C9 | H12 | 13.7° | 140.0° |
| O7 | C23 | N1 | H1 | 99.2° | 180.0° |
| O7 | C23 | C24 | H24 | 0.0° | 0.0° |
| O7 | C23 | C24 | H25 | 120.0° | 120.0° |
| O7 | C23 | C24 | H26 | 120.0° | 119.9° |
| C9 | C8 | C5 | H10 | 120.4° | 120.0° |
| C9 | C8 | C5 | H11 | 120.4° | 120.0° |
| C9 | C8 | C5 | C6 | 103.9° | 89.7° |
| C9 | C8 | C5 | C4 | 75.8° | 90.0° |
| C8 | C9 | N1 | H1 | 45.0° | 120.0° |
| C9 | C8 | H10 | H11 | 118.9° | 120.0° |
| C8 | C5 | C6 | C4 | 179.7° | 179.7° |
| C8 | C5 | C6 | C7 | 179.6° | 180.0° |
| C8 | C5 | C4 | C3 | 179.6° | 180.0° |
| C8 | C5 | C4 | H7 | 0.4° | 0.0° |
| C8 | C5 | C6 | H8 | 0.4° | 0.1° |
| C5 | C8 | H10 | H11 | 118.9° | 120.0° |
| C5 | C8 | C9 | H12 | 47.2° | 55.0° |
| C5 | C6 | C7 | H8 | 180.0° | 179.9° |
| C5 | C6 | C7 | C2 | 0.0° | 0.1° |
| C6 | C5 | C4 | C3 | 0.2° | 0.3° |
| C6 | C5 | C4 | H7 | 179.8° | 179.7° |
| C5 | C6 | C7 | H9 | 180.0° | 180.0° |
| C6 | C5 | C8 | H10 | 135.7° | 150.3° |
| C6 | C5 | C8 | H11 | 16.5° | 30.3° |
| C7 | C6 | C5 | C4 | 0.2° | 0.3° |
| C6 | C7 | C2 | H9 | 180.0° | 179.9° |
| C6 | C7 | C2 | C3 | 0.1° | 0.2° |
| C6 | C7 | C2 | C1 | 179.2° | 180.0° |
| C5 | C4 | C3 | H7 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C5 | C4 | C3 | H6 | 180.0° | 180.0° |
| C4 | C5 | C6 | H8 | 179.8° | 179.8° |
| C4 | C5 | C8 | H10 | 44.6° | 30.0° |
| C4 | C5 | C8 | H11 | 163.8° | 150.0° |
| C7 | C2 | C3 | C4 | 0.1° | 0.2° |
| C7 | C2 | C3 | C1 | 179.4° | 179.8° |
| C7 | C2 | C1 | P1 | 74.5° | 91.0° |
| C7 | C2 | C1 | F2 | 46.9° | 149.0° |
| C7 | C2 | C1 | F1 | 165.3° | 29.0° |
| C7 | C2 | C3 | H6 | 179.9° | 179.7° |
| C2 | C7 | C6 | H8 | 180.0° | 180.0° |
| O2 | P1 | C1 | C2 | 42.7° | 176.3° |
| O2 | P1 | C1 | O1 | 120.9° | 120.0° |
| O2 | P1 | C1 | O3 | 119.4° | 120.0° |
| O2 | P1 | O1 | O3 | 119.8° | 120.0° |
| O2 | P1 | C1 | F2 | 82.1° | 56.3° |
| O2 | P1 | C1 | F1 | 165.6° | 63.7° |
| O2 | P1 | O1 | H27 | 0.0° | 60.0° |
| O2 | P1 | O3 | H28 | 0.0° | 177.1° |
| C4 | C3 | C2 | H6 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 179.3° | 180.0° |
| C3 | C2 | C1 | P1 | 106.2° | 89.2° |
| C3 | C2 | C1 | F2 | 132.4° | 30.8° |
| C3 | C2 | C1 | F1 | 14.1° | 150.8° |
| C2 | C3 | C4 | H7 | 180.0° | 180.0° |
| C3 | C2 | C7 | H9 | 179.9° | 179.8° |
| C2 | C1 | P1 | F2 | 124.8° | 120.0° |
| C2 | C1 | P1 | F1 | 122.9° | 120.0° |
| C2 | C1 | P1 | O1 | 78.3° | 56.3° |
| C2 | C1 | P1 | O3 | 162.1° | 63.7° |
| C2 | C1 | F2 | F1 | 121.5° | 120.0° |
| C1 | C2 | C3 | H6 | 0.7° | 0.1° |
| C1 | C2 | C7 | H9 | 0.8° | 0.1° |
| C1 | P1 | O1 | O3 | 118.3° | 120.0° |
| P1 | C1 | F2 | F1 | 112.8° | 120.0° |
| C1 | P1 | O1 | H27 | 121.9° | 180.0° |
| C1 | P1 | O3 | H28 | 119.5° | 57.1° |
| O1 | P1 | C1 | F2 | 157.0° | 63.7° |
| O1 | P1 | C1 | F1 | 44.6° | 176.3° |
| O1 | P1 | O3 | H28 | 118.8° | 62.9° |
| O3 | P1 | C1 | F2 | 37.3° | 176.3° |
| O3 | P1 | C1 | F1 | 75.0° | 56.3° |
| O3 | P1 | O1 | H27 | 119.8° | 60.0° |
| H1 | N1 | C9 | H12 | 160.7° | 0.0° |
| H2 | N2 | C11 | H13 | 148.3° | 144.9° |
| H5 | N4 | C15 | H18 | 70.1° | 120.1° |
| H5 | N4 | C15 | H19 | 169.8° | 120.0° |
| H6 | C3 | C4 | H7 | 0.0° | 0.1° |
| H8 | C6 | C7 | H9 | 0.0° | 0.1° |
| H10 | C8 | C9 | H12 | 73.2° | 175.0° |
| H11 | C8 | C9 | H12 | 167.6° | 65.0° |
| H13 | C11 | C13 | H14 | 140.7° | 175.0° |
| H13 | C11 | C13 | H15 | 101.0° | 65.0° |
| H14 | C13 | C14 | H16 | 135.6° | 180.0° |
| H14 | C13 | C14 | H17 | 104.8° | 60.0° |
| H15 | C13 | C14 | H16 | 17.3° | 60.0° |
| H15 | C13 | C14 | H17 | 136.8° | 179.9° |
| H16 | C14 | C15 | H18 | 81.6° | 60.0° |
| H16 | C14 | C15 | H19 | 158.2° | 179.9° |
| H17 | C14 | C15 | H18 | 37.9° | 179.9° |
| H17 | C14 | C15 | H19 | 82.2° | 60.0° |
| H20 | C18 | C19 | H21 | 0.1° | 0.0° |
| H21 | C19 | C20 | H22 | 0.0° | 0.3° |
| H24 | C24 | H25 | H26 | 120.0° | 119.9° |
