O5A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | S11 | doub | 1.42Å | 1.44Å | |
| O19 | S11 | doub | 1.42Å | 1.44Å | |
| S11 | C12 | sing | 1.76Å | 1.77Å | |
| S11 | C8 | sing | 1.81Å | 1.87Å | |
| C26 | C8 | sing | 1.54Å | 1.55Å | |
| C26 | C25 | sing | 1.54Å | 1.52Å | |
| F21 | C9 | sing | 1.40Å | 1.33Å | |
| C6 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C5 | sing | 1.51Å | 1.53Å | |
| C8 | C23 | sing | 1.54Å | 1.59Å | |
| C25 | N24 | sing | 1.48Å | 1.46Å | |
| F30 | C10 | sing | 1.40Å | 1.33Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| F22 | C9 | sing | 1.40Å | 1.33Å | |
| C9 | F20 | sing | 1.40Å | 1.33Å | |
| C9 | C7 | sing | 1.53Å | 1.58Å | |
| C39 | C34 | sing | 1.53Å | 1.54Å | |
| C16 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| N24 | C23 | sing | 1.48Å | 1.46Å | |
| N24 | C32 | sing | 1.35Å | 1.35Å | |
| C34 | C32 | sing | 1.51Å | 1.52Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C32 | O33 | doub | 1.21Å | 1.22Å | |
| C2 | C7 | sing | 1.51Å | 1.57Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| O42 | C40 | doub | 1.21Å | 1.30Å | |
| C14 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | C10 | sing | 1.53Å | 1.57Å | |
| C7 | F27 | sing | 1.40Å | 1.38Å | |
| C15 | F31 | sing | 1.35Å | 1.36Å | |
| C10 | F28 | sing | 1.40Å | 1.33Å | |
| C10 | F29 | sing | 1.40Å | 1.33Å | |
| O41 | C40 | sing | 1.34Å | 1.22Å | |
| C40 | C37 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C36 | sing | 1.53Å | 1.54Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| C36 | H18 | sing | 1.09Å | 1.10Å | |
| C36 | H19 | sing | 1.09Å | 1.10Å | |
| C37 | H20 | sing | 1.09Å | 1.10Å | |
| C38 | H21 | sing | 1.09Å | 1.10Å | |
| C38 | H22 | sing | 1.09Å | 1.10Å | |
| C39 | H23 | sing | 1.09Å | 1.10Å | |
| C39 | H24 | sing | 1.09Å | 1.10Å | |
| O41 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | S11 | O19 | 118.5° | 121.1° |
| O18 | S11 | C12 | 108.5° | 104.3° |
| O18 | S11 | C8 | 107.8° | 110.6° |
| O19 | S11 | C12 | 108.8° | 104.2° |
| O19 | S11 | C8 | 107.8° | 110.5° |
| C12 | S11 | C8 | 104.4° | 104.4° |
| S11 | C12 | C17 | 119.5° | 120.0° |
| S11 | C12 | C13 | 119.3° | 120.0° |
| S11 | C8 | C26 | 108.8° | 110.5° |
| S11 | C8 | C5 | 108.8° | 110.3° |
| S11 | C8 | C23 | 112.2° | 110.3° |
| C8 | C26 | C25 | 107.2° | 105.0° |
| C26 | C8 | C5 | 114.2° | 110.3° |
| C26 | C8 | C23 | 101.7° | 104.9° |
| C8 | C26 | H13 | 110.0° | 110.3° |
| C8 | C26 | H14 | 110.0° | 110.3° |
| C26 | C25 | N24 | 103.1° | 104.6° |
| C26 | C25 | H11 | 111.0° | 110.4° |
| C26 | C25 | H12 | 111.0° | 110.5° |
| C25 | C26 | H13 | 110.0° | 110.4° |
| C25 | C26 | H14 | 110.0° | 110.3° |
| F21 | C9 | F22 | 107.2° | 109.4° |
| F21 | C9 | F20 | 107.0° | 109.5° |
| F21 | C9 | C7 | 112.1° | 109.5° |
| C1 | C6 | C5 | 121.2° | 120.0° |
| C6 | C1 | C2 | 121.0° | 120.0° |
| C6 | C1 | H1 | 119.5° | 120.0° |
| C1 | C6 | H4 | 119.4° | 120.0° |
| C6 | C5 | C8 | 120.1° | 120.0° |
| C6 | C5 | C4 | 117.5° | 120.0° |
| C5 | C6 | H4 | 119.4° | 120.0° |
| C17 | C12 | C13 | 120.7° | 120.1° |
| C12 | C17 | C16 | 119.5° | 120.0° |
| C12 | C17 | H8 | 120.2° | 119.9° |
| C12 | C13 | C14 | 119.6° | 120.0° |
| C12 | C13 | H5 | 120.2° | 120.0° |
| C17 | C16 | C15 | 118.4° | 120.0° |
| C17 | C16 | H7 | 120.8° | 120.0° |
| C16 | C17 | H8 | 120.3° | 120.0° |
| C1 | C2 | C7 | 121.2° | 120.0° |
| C1 | C2 | C3 | 117.7° | 120.1° |
| C2 | C1 | H1 | 119.5° | 120.0° |
| C5 | C8 | C23 | 111.1° | 110.4° |
| C8 | C5 | C4 | 121.8° | 120.0° |
| C8 | C23 | N24 | 106.5° | 104.6° |
| C8 | C23 | H9 | 110.2° | 110.4° |
| C8 | C23 | H10 | 110.2° | 110.4° |
| C25 | N24 | C23 | 108.0° | 104.3° |
| C25 | N24 | C32 | 127.2° | 127.8° |
| N24 | C25 | H11 | 111.0° | 110.5° |
| N24 | C25 | H12 | 111.0° | 110.4° |
| F30 | C10 | C7 | 111.5° | 109.4° |
| F30 | C10 | F28 | 107.5° | 109.5° |
| F30 | C10 | F29 | 107.3° | 109.5° |
| C5 | C4 | C3 | 121.1° | 120.0° |
| C5 | C4 | H3 | 119.4° | 120.0° |
| C39 | C38 | C37 | 111.7° | 109.5° |
| C38 | C39 | C34 | 110.8° | 109.4° |
| C39 | C38 | H21 | 108.9° | 109.4° |
| C39 | C38 | H22 | 108.9° | 109.5° |
| C38 | C39 | H23 | 109.1° | 109.5° |
| C38 | C39 | H24 | 109.1° | 109.5° |
| C38 | C37 | C40 | 112.0° | 109.5° |
| C38 | C37 | C36 | 110.2° | 109.5° |
| C38 | C37 | H20 | 107.2° | 109.5° |
| C37 | C38 | H21 | 108.9° | 109.5° |
| C37 | C38 | H22 | 108.9° | 109.5° |
| C13 | C14 | C15 | 118.5° | 120.0° |
| C14 | C13 | H5 | 120.2° | 120.0° |
| C13 | C14 | H6 | 120.8° | 120.0° |
| F22 | C9 | F20 | 107.4° | 109.5° |
| F22 | C9 | C7 | 111.5° | 109.5° |
| F20 | C9 | C7 | 111.2° | 109.5° |
| C9 | C7 | C2 | 116.7° | 109.5° |
| C9 | C7 | C10 | 109.2° | 109.5° |
| C9 | C7 | F27 | 103.7° | 109.5° |
| C39 | C34 | C32 | 111.1° | 109.5° |
| C39 | C34 | C35 | 109.4° | 109.5° |
| C39 | C34 | H15 | 108.5° | 109.4° |
| C34 | C39 | H23 | 109.1° | 109.5° |
| C34 | C39 | H24 | 109.1° | 109.4° |
| C16 | C15 | C14 | 123.1° | 119.9° |
| C16 | C15 | F31 | 118.5° | 120.0° |
| C15 | C16 | H7 | 120.8° | 120.0° |
| C23 | N24 | C32 | 124.5° | 127.8° |
| N24 | C23 | H9 | 110.2° | 110.4° |
| N24 | C23 | H10 | 110.2° | 110.5° |
| N24 | C32 | C34 | 118.0° | 120.0° |
| N24 | C32 | O33 | 121.6° | 120.0° |
| C32 | C34 | C35 | 110.6° | 109.5° |
| C34 | C32 | O33 | 120.4° | 120.0° |
| C32 | C34 | H15 | 108.7° | 109.5° |
| C34 | C35 | C36 | 110.3° | 109.4° |
| C35 | C34 | H15 | 108.5° | 109.5° |
| C34 | C35 | H16 | 109.3° | 109.4° |
| C34 | C35 | H17 | 109.2° | 109.5° |
| C7 | C2 | C3 | 120.8° | 119.9° |
| C2 | C7 | C10 | 111.0° | 109.5° |
| C2 | C7 | F27 | 110.7° | 109.4° |
| C2 | C3 | C4 | 121.1° | 119.9° |
| C2 | C3 | H2 | 119.4° | 120.1° |
| O42 | C40 | O41 | 123.1° | 120.0° |
| O42 | C40 | C37 | 113.4° | 120.0° |
| C14 | C15 | F31 | 118.4° | 120.0° |
| C15 | C14 | H6 | 120.8° | 120.0° |
| C10 | C7 | F27 | 104.7° | 109.5° |
| C7 | C10 | F28 | 111.4° | 109.5° |
| C7 | C10 | F29 | 111.8° | 109.5° |
| F28 | C10 | F29 | 107.1° | 109.5° |
| O41 | C40 | C37 | 123.6° | 120.0° |
| C40 | O41 | H25 | 109.5° | 117.0° |
| C40 | C37 | C36 | 112.4° | 109.4° |
| C40 | C37 | H20 | 107.5° | 109.5° |
| C4 | C3 | H2 | 119.4° | 120.0° |
| C3 | C4 | H3 | 119.4° | 120.0° |
| C37 | C36 | C35 | 111.4° | 109.5° |
| C37 | C36 | H18 | 109.0° | 109.5° |
| C37 | C36 | H19 | 109.0° | 109.5° |
| C36 | C37 | H20 | 107.2° | 109.4° |
| C36 | C35 | H16 | 109.3° | 109.4° |
| C36 | C35 | H17 | 109.3° | 109.5° |
| C35 | C36 | H18 | 109.0° | 109.4° |
| C35 | C36 | H19 | 109.0° | 109.4° |
| H9 | C23 | H10 | 109.5° | 110.4° |
| H11 | C25 | H12 | 109.5° | 110.3° |
| H13 | C26 | H14 | 109.5° | 110.4° |
| H16 | C35 | H17 | 109.5° | 109.5° |
| H18 | C36 | H19 | 109.5° | 109.5° |
| H21 | C38 | H22 | 109.4° | 109.4° |
| H23 | C39 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | S11 | O19 | C12 | 124.6° | 116.7° |
| O18 | S11 | O19 | C8 | 122.7° | 131.5° |
| O18 | S11 | C12 | C8 | 114.8° | 116.1° |
| O18 | S11 | C8 | C26 | 65.8° | 171.3° |
| O18 | S11 | C12 | C17 | 27.1° | 22.5° |
| O18 | S11 | C12 | C13 | 160.6° | 157.9° |
| O18 | S11 | C8 | C5 | 59.1° | 49.1° |
| O18 | S11 | C8 | C23 | 177.5° | 73.1° |
| O19 | S11 | C12 | C8 | 114.9° | 116.0° |
| O19 | S11 | C8 | C26 | 63.2° | 51.9° |
| O19 | S11 | C12 | C17 | 157.4° | 150.3° |
| O19 | S11 | C12 | C13 | 30.4° | 30.0° |
| O19 | S11 | C8 | C5 | 171.8° | 174.1° |
| O19 | S11 | C8 | C23 | 48.5° | 63.6° |
| C12 | S11 | C8 | C26 | 178.8° | 59.7° |
| S11 | C12 | C17 | C13 | 172.2° | 179.7° |
| S11 | C12 | C17 | C16 | 167.7° | 179.8° |
| C12 | S11 | C8 | C5 | 56.2° | 62.6° |
| C12 | S11 | C8 | C23 | 67.1° | 175.2° |
| S11 | C12 | C13 | C14 | 167.8° | 179.9° |
| S11 | C12 | C13 | H5 | 12.2° | 0.1° |
| S11 | C12 | C17 | H8 | 12.3° | 0.0° |
| S11 | C8 | C26 | C5 | 121.7° | 122.2° |
| S11 | C8 | C26 | C23 | 118.5° | 118.9° |
| S11 | C8 | C26 | C25 | 133.3° | 118.9° |
| S11 | C8 | C5 | C6 | 61.7° | 89.7° |
| C8 | S11 | C12 | C17 | 87.7° | 93.6° |
| C8 | S11 | C12 | C13 | 84.6° | 86.1° |
| S11 | C8 | C5 | C23 | 124.0° | 122.2° |
| S11 | C8 | C5 | C4 | 109.2° | 90.6° |
| S11 | C8 | C23 | N24 | 108.5° | 95.1° |
| S11 | C8 | C23 | H9 | 11.1° | 23.7° |
| S11 | C8 | C23 | H10 | 132.0° | 146.0° |
| S11 | C8 | C26 | H13 | 107.0° | 122.2° |
| S11 | C8 | C26 | H14 | 13.7° | 0.0° |
| C8 | C26 | C25 | H13 | 119.7° | 118.9° |
| C8 | C26 | C25 | H14 | 119.6° | 118.9° |
| C26 | C8 | C5 | C6 | 60.0° | 32.6° |
| C26 | C8 | C5 | C23 | 114.3° | 115.5° |
| C8 | C26 | C25 | N24 | 32.0° | 23.8° |
| C26 | C8 | C5 | C4 | 129.1° | 147.1° |
| C26 | C8 | C23 | N24 | 7.6° | 23.9° |
| C26 | C8 | C23 | H9 | 127.1° | 142.7° |
| C26 | C8 | C23 | H10 | 112.0° | 95.0° |
| C8 | C26 | C25 | H11 | 87.0° | 142.7° |
| C8 | C26 | C25 | H12 | 151.0° | 95.0° |
| C8 | C26 | H13 | H14 | 121.0° | 122.2° |
| C25 | C26 | C8 | C5 | 105.0° | 118.9° |
| C25 | C26 | C8 | C23 | 14.8° | 0.0° |
| C26 | C25 | N24 | H11 | 119.0° | 118.8° |
| C26 | C25 | N24 | H12 | 119.0° | 118.9° |
| C26 | C25 | N24 | C23 | 37.7° | 39.6° |
| C26 | C25 | N24 | C32 | 135.6° | 140.4° |
| C26 | C25 | H11 | H12 | 122.9° | 122.4° |
| C25 | C26 | H13 | H14 | 121.0° | 122.3° |
| F21 | C9 | F22 | F20 | 114.7° | 120.0° |
| F21 | C9 | F22 | C7 | 123.1° | 120.0° |
| F21 | C9 | F20 | C7 | 122.8° | 120.0° |
| F21 | C9 | C7 | C2 | 68.8° | 180.0° |
| F21 | C9 | C7 | C10 | 58.0° | 60.0° |
| F21 | C9 | C7 | F27 | 169.1° | 60.0° |
| C1 | C6 | C5 | H4 | 180.0° | 179.4° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C1 | C6 | C5 | C8 | 165.8° | 179.7° |
| C1 | C6 | C5 | C4 | 5.5° | 0.6° |
| C6 | C1 | C2 | C7 | 169.4° | 179.8° |
| C6 | C1 | C2 | C3 | 3.9° | 0.3° |
| C5 | C6 | C1 | C2 | 1.0° | 0.6° |
| C6 | C5 | C8 | C4 | 170.9° | 179.7° |
| C6 | C5 | C8 | C23 | 174.3° | 148.1° |
| C6 | C5 | C4 | C3 | 5.1° | 0.3° |
| C5 | C6 | C1 | H1 | 179.0° | 179.7° |
| C6 | C5 | C4 | H3 | 174.9° | 179.7° |
| C12 | C17 | C16 | H8 | 180.0° | 179.7° |
| C17 | C12 | C13 | C14 | 4.4° | 0.3° |
| C12 | C17 | C16 | C15 | 1.2° | 0.6° |
| C17 | C12 | C13 | H5 | 175.6° | 179.7° |
| C12 | C17 | C16 | H7 | 178.8° | 179.8° |
| C13 | C12 | C17 | C16 | 4.5° | 0.6° |
| C12 | C13 | C14 | H5 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.1° | 0.0° |
| C12 | C13 | C14 | H6 | 178.9° | 179.9° |
| C13 | C12 | C17 | H8 | 175.5° | 179.7° |
| C17 | C16 | C15 | H7 | 180.0° | 179.7° |
| C17 | C16 | C15 | C14 | 2.2° | 0.3° |
| C17 | C16 | C15 | F31 | 176.6° | 179.8° |
| C1 | C2 | C7 | C9 | 27.5° | 107.4° |
| C1 | C2 | C7 | C3 | 173.1° | 180.0° |
| C1 | C2 | C7 | C10 | 98.5° | 12.7° |
| C1 | C2 | C7 | F27 | 145.8° | 132.6° |
| C1 | C2 | C3 | C4 | 4.3° | 0.0° |
| C1 | C2 | C3 | H2 | 175.7° | 180.0° |
| C2 | C1 | C6 | H4 | 179.0° | 180.0° |
| C5 | C8 | C23 | N24 | 129.5° | 142.7° |
| C8 | C5 | C4 | C3 | 166.0° | 180.0° |
| C8 | C5 | C4 | H3 | 14.0° | 0.0° |
| C8 | C5 | C6 | H4 | 14.2° | 0.3° |
| C5 | C8 | C23 | H9 | 111.0° | 98.5° |
| C5 | C8 | C23 | H10 | 9.9° | 23.8° |
| C5 | C8 | C26 | H13 | 14.7° | 0.1° |
| C5 | C8 | C26 | H14 | 135.4° | 122.2° |
| C8 | C23 | N24 | C25 | 28.7° | 39.6° |
| C23 | C8 | C5 | C4 | 14.8° | 31.6° |
| C8 | C23 | N24 | H9 | 119.5° | 118.8° |
| C8 | C23 | N24 | H10 | 119.6° | 118.8° |
| C8 | C23 | N24 | C32 | 144.9° | 140.4° |
| C8 | C23 | H9 | H10 | 121.4° | 122.3° |
| C23 | C8 | C26 | H13 | 134.4° | 118.9° |
| C23 | C8 | C26 | H14 | 104.8° | 118.9° |
| C25 | N24 | C23 | C32 | 173.5° | 180.0° |
| C25 | N24 | C32 | C34 | 16.7° | 175.4° |
| C25 | N24 | C32 | O33 | 165.9° | 4.6° |
| C25 | N24 | C23 | H9 | 148.2° | 158.3° |
| C25 | N24 | C23 | H10 | 90.9° | 79.3° |
| N24 | C25 | H11 | H12 | 122.9° | 122.4° |
| N24 | C25 | C26 | H13 | 151.7° | 142.7° |
| N24 | C25 | C26 | H14 | 87.6° | 95.0° |
| F30 | C10 | C7 | C9 | 62.7° | 52.5° |
| F30 | C10 | C7 | C2 | 67.3° | 67.5° |
| F30 | C10 | C7 | F28 | 120.1° | 120.0° |
| F30 | C10 | C7 | F29 | 120.1° | 120.0° |
| F30 | C10 | C7 | F27 | 173.3° | 172.6° |
| F30 | C10 | F28 | F29 | 115.0° | 120.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C5 | C4 | C3 | H3 | 180.0° | 179.9° |
| C5 | C4 | C3 | H2 | 179.8° | 180.0° |
| C4 | C5 | C6 | H4 | 174.5° | 180.0° |
| C39 | C38 | C37 | H21 | 120.3° | 120.0° |
| C39 | C38 | C37 | H22 | 120.4° | 120.0° |
| C38 | C39 | C34 | H23 | 120.2° | 120.0° |
| C38 | C39 | C34 | H24 | 120.2° | 120.0° |
| C38 | C39 | C34 | C32 | 179.1° | 180.0° |
| C38 | C39 | C34 | C35 | 58.6° | 60.0° |
| C39 | C38 | C37 | C40 | 179.8° | 180.0° |
| C39 | C38 | C37 | C36 | 53.9° | 60.0° |
| C38 | C39 | C34 | H15 | 59.6° | 60.0° |
| C39 | C38 | C37 | H20 | 62.5° | 60.0° |
| C39 | C38 | H21 | H22 | 119.0° | 120.0° |
| C38 | C39 | H23 | H24 | 119.4° | 120.0° |
| C37 | C38 | C39 | C34 | 56.4° | 60.0° |
| C38 | C37 | C40 | O42 | 63.8° | 120.0° |
| C38 | C37 | C40 | O41 | 116.0° | 60.0° |
| C38 | C37 | C40 | C36 | 124.7° | 120.0° |
| C38 | C37 | C40 | H20 | 117.5° | 120.0° |
| C38 | C37 | C36 | H20 | 116.3° | 120.0° |
| C38 | C37 | C36 | C35 | 54.9° | 60.0° |
| C38 | C37 | C36 | H18 | 65.4° | 180.0° |
| C38 | C37 | C36 | H19 | 175.2° | 60.0° |
| C37 | C38 | H21 | H22 | 118.9° | 120.0° |
| C37 | C38 | C39 | H23 | 63.8° | 180.0° |
| C37 | C38 | C39 | H24 | 176.6° | 60.0° |
| C13 | C14 | C15 | C16 | 2.2° | 0.0° |
| C13 | C14 | C15 | H6 | 180.0° | 179.9° |
| C13 | C14 | C15 | F31 | 176.5° | 180.0° |
| F22 | C9 | F20 | C7 | 122.3° | 120.0° |
| F22 | C9 | C7 | C2 | 51.4° | 60.0° |
| F22 | C9 | C7 | C10 | 178.3° | 180.0° |
| F22 | C9 | C7 | F27 | 70.6° | 60.0° |
| F20 | C9 | C7 | C2 | 171.3° | 60.0° |
| F20 | C9 | C7 | C10 | 61.8° | 60.0° |
| F20 | C9 | C7 | F27 | 49.3° | 180.0° |
| C9 | C7 | C2 | C10 | 126.0° | 120.0° |
| C9 | C7 | C2 | F27 | 118.3° | 120.0° |
| C9 | C7 | C2 | C3 | 159.4° | 72.6° |
| C9 | C7 | C10 | F27 | 110.5° | 120.0° |
| C9 | C7 | C10 | F28 | 57.3° | 172.5° |
| C9 | C7 | C10 | F29 | 177.2° | 67.5° |
| C39 | C34 | C32 | N24 | 150.8° | 69.3° |
| C39 | C34 | C32 | C35 | 121.6° | 120.1° |
| C39 | C34 | C32 | H15 | 119.3° | 120.0° |
| C39 | C34 | C35 | H15 | 118.2° | 120.0° |
| C39 | C34 | C32 | O33 | 31.7° | 110.7° |
| C39 | C34 | C35 | C36 | 59.5° | 60.0° |
| C39 | C34 | C35 | H16 | 60.6° | 60.0° |
| C39 | C34 | C35 | H17 | 179.7° | 180.0° |
| C34 | C39 | C38 | H21 | 63.9° | 180.0° |
| C34 | C39 | C38 | H22 | 176.8° | 60.0° |
| C34 | C39 | H23 | H24 | 119.4° | 120.0° |
| C16 | C15 | C14 | F31 | 178.7° | 179.9° |
| C16 | C15 | C14 | H6 | 177.8° | 179.9° |
| C15 | C16 | C17 | H8 | 178.8° | 179.7° |
| C23 | N24 | C32 | C34 | 171.1° | 4.7° |
| C23 | N24 | C32 | O33 | 6.4° | 175.4° |
| N24 | C23 | H9 | H10 | 121.4° | 122.4° |
| C23 | N24 | C25 | H11 | 81.3° | 158.4° |
| C23 | N24 | C25 | H12 | 156.7° | 79.3° |
| N24 | C32 | C34 | O33 | 177.5° | 179.9° |
| N24 | C32 | C34 | C35 | 87.6° | 170.7° |
| C32 | N24 | C23 | H9 | 25.3° | 21.6° |
| C32 | N24 | C23 | H10 | 95.6° | 100.8° |
| C32 | N24 | C25 | H11 | 105.4° | 21.6° |
| C32 | N24 | C25 | H12 | 16.6° | 100.7° |
| N24 | C32 | C34 | H15 | 31.5° | 50.7° |
| C32 | C34 | C35 | H15 | 119.2° | 120.0° |
| C32 | C34 | C35 | C36 | 177.8° | 180.0° |
| C32 | C34 | C35 | H16 | 62.0° | 60.1° |
| C32 | C34 | C35 | H17 | 57.7° | 60.0° |
| C32 | C34 | C39 | H23 | 60.7° | 60.0° |
| C32 | C34 | C39 | H24 | 58.9° | 60.0° |
| C35 | C34 | C32 | O33 | 89.9° | 9.4° |
| C34 | C35 | C36 | C37 | 58.5° | 59.9° |
| C34 | C35 | C36 | H16 | 120.2° | 119.9° |
| C34 | C35 | C36 | H17 | 120.1° | 120.0° |
| C34 | C35 | H16 | H17 | 119.6° | 120.0° |
| C34 | C35 | C36 | H18 | 61.8° | 180.0° |
| C34 | C35 | C36 | H19 | 178.8° | 60.1° |
| C35 | C34 | C39 | H23 | 61.6° | 180.0° |
| C35 | C34 | C39 | H24 | 178.8° | 60.0° |
| O33 | C32 | C34 | H15 | 151.0° | 129.4° |
| C2 | C7 | C10 | F27 | 119.4° | 119.9° |
| C2 | C7 | C10 | F28 | 172.6° | 52.5° |
| C2 | C7 | C10 | F29 | 52.8° | 172.5° |
| C7 | C2 | C3 | C4 | 169.0° | 180.0° |
| C7 | C2 | C1 | H1 | 10.6° | 0.0° |
| C7 | C2 | C3 | H2 | 11.0° | 0.0° |
| C3 | C2 | C7 | C10 | 74.6° | 167.4° |
| C3 | C2 | C7 | F27 | 41.1° | 47.4° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 176.1° | 180.0° |
| C2 | C3 | C4 | H3 | 179.8° | 180.0° |
| O42 | C40 | O41 | C37 | 179.8° | 179.9° |
| O42 | C40 | C37 | C36 | 171.4° | 0.1° |
| O42 | C40 | C37 | H20 | 53.7° | 120.0° |
| O42 | C40 | O41 | H25 | 0.0° | 0.0° |
| C15 | C14 | C13 | H5 | 178.9° | 180.0° |
| C14 | C15 | C16 | H7 | 177.8° | 180.0° |
| C7 | C10 | F28 | F29 | 122.6° | 120.0° |
| F27 | C7 | C10 | F28 | 53.2° | 67.4° |
| F27 | C7 | C10 | F29 | 66.7° | 52.5° |
| F31 | C15 | C14 | H6 | 3.5° | 0.0° |
| F31 | C15 | C16 | H7 | 3.4° | 0.1° |
| O41 | C40 | C37 | C36 | 8.7° | 180.0° |
| O41 | C40 | C37 | H20 | 126.4° | 60.1° |
| C40 | C37 | C36 | H20 | 117.9° | 120.0° |
| C40 | C37 | C36 | C35 | 179.4° | 180.0° |
| C40 | C37 | C36 | H18 | 60.4° | 60.0° |
| C40 | C37 | C36 | H19 | 59.1° | 60.1° |
| C40 | C37 | C38 | H21 | 59.5° | 60.0° |
| C40 | C37 | C38 | H22 | 59.8° | 60.0° |
| C37 | C40 | O41 | H25 | 179.8° | 179.9° |
| C37 | C36 | C35 | H18 | 120.3° | 120.0° |
| C37 | C36 | C35 | H19 | 120.3° | 120.0° |
| C37 | C36 | C35 | H16 | 61.7° | 60.0° |
| C37 | C36 | C35 | H17 | 178.6° | 180.0° |
| C37 | C36 | H18 | H19 | 119.1° | 120.1° |
| C36 | C37 | C38 | H21 | 66.5° | 180.0° |
| C36 | C37 | C38 | H22 | 174.2° | 60.0° |
| C36 | C35 | C34 | H15 | 58.6° | 60.0° |
| C36 | C35 | H16 | H17 | 119.6° | 120.0° |
| C35 | C36 | H18 | H19 | 119.1° | 119.9° |
| C35 | C36 | C37 | H20 | 61.4° | 60.0° |
| H1 | C1 | C6 | H4 | 1.0° | 0.3° |
| H2 | C3 | C4 | H3 | 0.2° | 0.0° |
| H5 | C13 | C14 | H6 | 1.1° | 0.1° |
| H7 | C16 | C17 | H8 | 1.2° | 0.0° |
| H11 | C25 | C26 | H13 | 32.7° | 98.4° |
| H11 | C25 | C26 | H14 | 153.4° | 23.8° |
| H12 | C25 | C26 | H13 | 89.3° | 23.9° |
| H12 | C25 | C26 | H14 | 31.4° | 146.1° |
| H15 | C34 | C35 | H16 | 178.8° | 179.9° |
| H15 | C34 | C35 | H17 | 61.5° | 60.0° |
| H15 | C34 | C39 | H23 | 179.9° | 60.0° |
| H15 | C34 | C39 | H24 | 60.6° | NaN° |
| H16 | C35 | C36 | H18 | 178.1° | 60.1° |
| H16 | C35 | C36 | H19 | 58.6° | 180.0° |
| H17 | C35 | C36 | H18 | 58.4° | 60.0° |
| H17 | C35 | C36 | H19 | 61.1° | 60.0° |
| H18 | C36 | C37 | H20 | 178.3° | 60.0° |
| H19 | C36 | C37 | H20 | 58.9° | 180.0° |
| H20 | C37 | C38 | H21 | 177.2° | 60.0° |
| H20 | C37 | C38 | H22 | 57.9° | 180.0° |
| H21 | C38 | C39 | H23 | 175.9° | 60.0° |
| H21 | C38 | C39 | H24 | 56.3° | 60.1° |
| H22 | C38 | C39 | H23 | 56.6° | 60.0° |
| H22 | C38 | C39 | H24 | 63.0° | 180.0° |
