Y48
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N28 | C29 | sing | 1.35Å | 1.34Å | |
| N28 | C27 | sing | 1.47Å | 1.55Å | |
| O30 | C29 | doub | 1.21Å | 1.20Å | |
| C29 | C25 | sing | 1.51Å | 1.50Å | |
| C27 | C26 | sing | 1.55Å | 1.55Å | |
| C26 | C25 | sing | 1.55Å | 1.49Å | |
| C24 | C25 | sing | 1.53Å | 1.57Å | |
| C24 | C20 | sing | 1.53Å | 1.53Å | |
| O22 | C21 | sing | 1.43Å | 1.21Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | N19 | sing | 1.46Å | 1.45Å | |
| N19 | C17 | sing | 1.35Å | 1.33Å | |
| O18 | C17 | doub | 1.21Å | 1.20Å | |
| C17 | C12 | sing | 1.51Å | 1.53Å | |
| O10 | C9 | doub | 1.21Å | 1.21Å | |
| F2 | C2 | sing | 1.35Å | 1.35Å | |
| C7 | O8 | sing | 1.45Å | 1.40Å | |
| C7 | C1 | sing | 1.51Å | 1.53Å | |
| C9 | O8 | sing | 1.35Å | 1.32Å | |
| C9 | N11 | sing | 1.35Å | 1.33Å | |
| C12 | N11 | sing | 1.47Å | 1.44Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | F3 | sing | 1.35Å | 1.35Å | |
| C5 | F1 | sing | 1.35Å | 1.35Å | |
| C21 | S1 | sing | 1.81Å | 1.82Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| N11 | H24 | sing | 0.97Å | 1.00Å | |
| N19 | H25 | sing | 0.97Å | 1.00Å | |
| N28 | H26 | sing | 0.97Å | 1.00Å | |
| O22 | H27 | sing | 0.97Å | 0.95Å | |
| S1 | O2 | sing | 1.52Å | 20.81Å | |
| S1 | O1 | doub | 1.42Å | 20.81Å | |
| S1 | O3 | doub | 1.42Å | 20.81Å | |
| O2 | H28 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | N28 | C27 | 109.5° | 111.3° |
| N28 | C29 | O30 | 124.2° | 125.0° |
| N28 | C29 | C25 | 110.1° | 110.0° |
| C29 | N28 | H26 | 125.3° | 124.4° |
| N28 | C27 | C26 | 104.5° | 105.5° |
| N28 | C27 | H22 | 110.7° | 110.3° |
| N28 | C27 | H23 | 110.7° | 110.3° |
| C27 | N28 | H26 | 125.3° | 124.3° |
| O30 | C29 | C25 | 125.7° | 125.0° |
| C29 | C25 | C26 | 107.9° | 104.3° |
| C29 | C25 | C24 | 109.8° | 110.5° |
| C29 | C25 | H19 | 110.0° | 110.5° |
| C27 | C26 | C25 | 102.1° | 101.8° |
| C27 | C26 | H20 | 111.3° | 110.9° |
| C27 | C26 | H21 | 111.3° | 111.0° |
| C26 | C27 | H22 | 110.7° | 110.3° |
| C26 | C27 | H23 | 110.7° | 110.2° |
| C26 | C25 | C24 | 109.9° | 110.5° |
| C26 | C25 | H19 | 110.2° | 110.5° |
| C25 | C26 | H20 | 111.3° | 111.0° |
| C25 | C26 | H21 | 111.3° | 111.0° |
| C25 | C24 | C20 | 110.1° | 109.4° |
| C25 | C24 | H17 | 109.3° | 109.4° |
| C25 | C24 | H18 | 109.3° | 109.4° |
| C24 | C25 | H19 | 109.1° | 110.5° |
| C24 | C20 | C21 | 109.4° | 109.4° |
| C24 | C20 | N19 | 111.1° | 109.5° |
| C24 | C20 | H15 | 108.9° | 109.5° |
| C20 | C24 | H17 | 109.3° | 109.5° |
| C20 | C24 | H18 | 109.3° | 109.5° |
| O22 | C21 | C20 | 118.1° | 109.5° |
| O22 | C21 | S1 | 108.7° | 109.5° |
| O22 | C21 | H16 | 110.1° | 109.5° |
| C21 | O22 | H27 | 109.5° | 114.0° |
| C21 | C20 | N19 | 108.6° | 109.5° |
| C20 | C21 | S1 | 109.9° | 109.5° |
| C21 | C20 | H15 | 108.9° | 109.4° |
| C20 | C21 | H16 | 105.8° | 109.4° |
| C20 | N19 | C17 | 119.2° | 120.0° |
| N19 | C20 | H15 | 109.9° | 109.5° |
| C20 | N19 | H25 | 120.4° | 120.0° |
| N19 | C17 | O18 | 121.0° | 120.0° |
| N19 | C17 | C12 | 119.3° | 120.0° |
| C17 | N19 | H25 | 120.4° | 120.0° |
| O18 | C17 | C12 | 119.7° | 120.0° |
| C17 | C12 | N11 | 110.3° | 109.4° |
| C17 | C12 | C13 | 106.3° | 109.5° |
| C17 | C12 | H4 | 110.0° | 109.5° |
| O10 | C9 | O8 | 121.1° | 120.0° |
| O10 | C9 | N11 | 121.2° | 120.0° |
| F2 | C2 | C1 | 120.5° | 120.0° |
| F2 | C2 | C3 | 119.4° | 120.0° |
| O8 | C7 | C1 | 109.8° | 109.4° |
| C7 | O8 | C9 | 117.4° | 117.0° |
| O8 | C7 | H12 | 109.4° | 109.5° |
| O8 | C7 | H13 | 109.4° | 109.5° |
| C7 | C1 | C2 | 121.2° | 119.9° |
| C7 | C1 | C6 | 118.9° | 120.0° |
| C1 | C7 | H12 | 109.4° | 109.5° |
| C1 | C7 | H13 | 109.4° | 109.5° |
| O8 | C9 | N11 | 117.7° | 120.0° |
| C9 | N11 | C12 | 122.5° | 120.0° |
| C9 | N11 | H24 | 118.8° | 120.0° |
| N11 | C12 | C13 | 109.0° | 109.4° |
| N11 | C12 | H4 | 111.1° | 109.5° |
| C12 | N11 | H24 | 118.7° | 120.1° |
| C12 | C13 | C14 | 109.3° | 109.4° |
| C12 | C13 | H2 | 109.6° | 109.4° |
| C12 | C13 | H3 | 109.5° | 109.5° |
| C13 | C12 | H4 | 110.0° | 109.5° |
| C1 | C2 | C3 | 120.1° | 120.0° |
| C2 | C1 | C6 | 119.9° | 120.1° |
| C2 | C3 | C4 | 119.7° | 120.0° |
| C2 | C3 | H11 | 120.2° | 120.0° |
| C1 | C6 | C5 | 120.0° | 120.0° |
| C1 | C6 | H14 | 120.0° | 120.0° |
| C13 | C14 | C16 | 109.4° | 109.5° |
| C13 | C14 | C15 | 108.7° | 109.4° |
| C13 | C14 | H1 | 109.9° | 109.5° |
| C14 | C13 | H2 | 109.5° | 109.5° |
| C14 | C13 | H3 | 109.5° | 109.5° |
| C3 | C4 | C5 | 120.1° | 119.9° |
| C3 | C4 | F3 | 120.5° | 120.0° |
| C4 | C3 | H11 | 120.1° | 120.0° |
| C6 | C5 | C4 | 120.2° | 120.0° |
| C6 | C5 | F1 | 119.7° | 120.0° |
| C5 | C6 | H14 | 120.0° | 120.0° |
| C16 | C14 | C15 | 108.9° | 109.5° |
| C16 | C14 | H1 | 110.0° | 109.5° |
| C14 | C16 | H8 | 109.5° | 109.4° |
| C14 | C16 | H9 | 109.4° | 109.5° |
| C14 | C16 | H10 | 109.5° | 109.5° |
| C15 | C14 | H1 | 109.9° | 109.5° |
| C14 | C15 | H5 | 109.5° | 109.5° |
| C14 | C15 | H6 | 109.5° | 109.5° |
| C14 | C15 | H7 | 109.5° | 109.5° |
| C5 | C4 | F3 | 119.5° | 120.1° |
| C4 | C5 | F1 | 120.1° | 120.0° |
| S1 | C21 | H16 | 103.2° | 109.5° |
| C21 | S1 | O2 | 109.5° | 104.4° |
| C21 | S1 | O1 | 109.5° | 110.5° |
| C21 | S1 | O3 | 109.5° | 110.6° |
| H2 | C13 | H3 | 109.4° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.4° |
| H5 | C15 | H7 | 109.4° | 109.4° |
| H6 | C15 | H7 | 109.4° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.5° |
| H8 | C16 | H10 | 109.5° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H12 | C7 | H13 | 109.5° | 109.5° |
| H17 | C24 | H18 | 109.4° | 109.5° |
| H20 | C26 | H21 | 109.4° | 110.8° |
| H22 | C27 | H23 | 109.5° | 110.2° |
| O2 | S1 | O1 | 0.0° | 104.3° |
| O2 | S1 | O3 | 0.0° | 104.3° |
| S1 | O2 | H28 | 90.0° | 114.0° |
| O1 | S1 | O3 | 0.0° | 121.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | N28 | C27 | H26 | 180.0° | 179.9° |
| N28 | C29 | O30 | C25 | 179.9° | 180.0° |
| C29 | N28 | C27 | C26 | 14.4° | 17.1° |
| N28 | C29 | C25 | C26 | 16.0° | 16.1° |
| N28 | C29 | C25 | C24 | 135.7° | 134.9° |
| N28 | C29 | C25 | H19 | 104.2° | 102.6° |
| C29 | N28 | C27 | H22 | 104.8° | 136.1° |
| C29 | N28 | C27 | H23 | 133.6° | 101.9° |
| C27 | N28 | C29 | O30 | 179.7° | 179.5° |
| C27 | N28 | C29 | C25 | 0.4° | 0.5° |
| N28 | C27 | C26 | H22 | 119.2° | 119.0° |
| N28 | C27 | C26 | H23 | 119.2° | 119.1° |
| N28 | C27 | C26 | C25 | 22.7° | 25.4° |
| N28 | C27 | C26 | H20 | 141.5° | 92.8° |
| N28 | C27 | C26 | H21 | 96.2° | 143.5° |
| N28 | C27 | H22 | H23 | 122.3° | 122.1° |
| O30 | C29 | C25 | C26 | 164.1° | 163.9° |
| O30 | C29 | C25 | C24 | 44.3° | 45.1° |
| O30 | C29 | C25 | H19 | 75.7° | 77.4° |
| O30 | C29 | N28 | H26 | 0.4° | 0.4° |
| C29 | C25 | C26 | C27 | 23.6° | 24.7° |
| C29 | C25 | C26 | C24 | 119.7° | 118.7° |
| C29 | C25 | C26 | H19 | 120.1° | 118.7° |
| C29 | C25 | C24 | H19 | 120.6° | 122.5° |
| C29 | C25 | C24 | C20 | 178.1° | 179.8° |
| C29 | C25 | C24 | H17 | 58.0° | 59.9° |
| C29 | C25 | C24 | H18 | 61.8° | 60.2° |
| C29 | C25 | C26 | H20 | 142.4° | 93.4° |
| C29 | C25 | C26 | H21 | 95.3° | 142.9° |
| C25 | C29 | N28 | H26 | 179.6° | 179.6° |
| C27 | C26 | C25 | H20 | 118.8° | 118.1° |
| C27 | C26 | C25 | H21 | 118.8° | 118.2° |
| C27 | C26 | C25 | C24 | 143.2° | 143.4° |
| C27 | C26 | C25 | H19 | 96.5° | 94.0° |
| C27 | C26 | H20 | H21 | 123.4° | 123.8° |
| C26 | C27 | H22 | H23 | 122.3° | 121.9° |
| C26 | C27 | N28 | H26 | 165.6° | 163.1° |
| C26 | C25 | C24 | H19 | 120.9° | 122.6° |
| C26 | C25 | C24 | C20 | 59.6° | 65.3° |
| C26 | C25 | C24 | H17 | 60.5° | 174.7° |
| C26 | C25 | C24 | H18 | 179.7° | 54.7° |
| C25 | C26 | H20 | H21 | 123.4° | 123.8° |
| C25 | C26 | C27 | H22 | 96.5° | 144.4° |
| C25 | C26 | C27 | H23 | 141.9° | 93.7° |
| C25 | C24 | C20 | H17 | 120.1° | 119.9° |
| C25 | C24 | C20 | H18 | 120.1° | 119.9° |
| C25 | C24 | C20 | C21 | 163.9° | 174.6° |
| C25 | C24 | C20 | N19 | 76.2° | 65.5° |
| C25 | C24 | C20 | H15 | 45.0° | 54.6° |
| C25 | C24 | H17 | H18 | 119.7° | 120.0° |
| C24 | C25 | C26 | H20 | 97.9° | 25.3° |
| C24 | C25 | C26 | H21 | 24.4° | 98.4° |
| C24 | C20 | C21 | O22 | 63.4° | 55.0° |
| C24 | C20 | C21 | N19 | 121.4° | 120.0° |
| C24 | C20 | C21 | H15 | 118.9° | 120.0° |
| C24 | C20 | N19 | H15 | 120.6° | 120.1° |
| C24 | C20 | N19 | C17 | 117.5° | 153.3° |
| C24 | C20 | C21 | S1 | 62.1° | 65.0° |
| C24 | C20 | C21 | H16 | 172.9° | 175.0° |
| C20 | C24 | H17 | H18 | 119.7° | 120.1° |
| C20 | C24 | C25 | H19 | 61.3° | 57.3° |
| C24 | C20 | N19 | H25 | 62.5° | 26.8° |
| O22 | C21 | C20 | S1 | 125.5° | 120.0° |
| O22 | C21 | C20 | H16 | 123.7° | 120.0° |
| O22 | C21 | C20 | N19 | 175.2° | 175.0° |
| O22 | C21 | S1 | H16 | 116.8° | 120.0° |
| O22 | C21 | C20 | H15 | 55.5° | 65.0° |
| O22 | C21 | S1 | O2 | 47.2° | 55.0° |
| O22 | C21 | S1 | O1 | 47.2° | 56.6° |
| O22 | C21 | S1 | O3 | 47.2° | 166.7° |
| C21 | C20 | N19 | H15 | 119.1° | 120.0° |
| C21 | C20 | N19 | C17 | 122.1° | 86.8° |
| C20 | C21 | S1 | H16 | 112.4° | 120.0° |
| C21 | C20 | C24 | H17 | 43.8° | 65.5° |
| C21 | C20 | C24 | H18 | 76.0° | 54.6° |
| C21 | C20 | N19 | H25 | 57.9° | 93.2° |
| C20 | C21 | O22 | H27 | 180.0° | 60.0° |
| C20 | C21 | S1 | O2 | 83.6° | 175.0° |
| C20 | C21 | S1 | O1 | 83.6° | 63.4° |
| C20 | C21 | S1 | O3 | 83.6° | 73.3° |
| C20 | N19 | C17 | H25 | 180.0° | 180.0° |
| C20 | N19 | C17 | O18 | 0.1° | 0.0° |
| C20 | N19 | C17 | C12 | 178.9° | 180.0° |
| N19 | C20 | C21 | S1 | 59.3° | 55.0° |
| N19 | C20 | C21 | H16 | 51.5° | 65.0° |
| N19 | C20 | C24 | H17 | 163.7° | 54.5° |
| N19 | C20 | C24 | H18 | 43.9° | 174.6° |
| N19 | C17 | O18 | C12 | 179.0° | 180.0° |
| N19 | C17 | C12 | N11 | 141.9° | 180.0° |
| N19 | C17 | C12 | C13 | 100.0° | 60.0° |
| N19 | C17 | C12 | H4 | 19.0° | 60.0° |
| C17 | N19 | C20 | H15 | 3.1° | 33.2° |
| O18 | C17 | C12 | N11 | 39.0° | 0.0° |
| O18 | C17 | C12 | C13 | 79.0° | 120.0° |
| O18 | C17 | C12 | H4 | 162.0° | 120.0° |
| O18 | C17 | N19 | H25 | 179.9° | 179.9° |
| C17 | C12 | N11 | C9 | 64.4° | 155.0° |
| C17 | C12 | N11 | C13 | 116.4° | 120.0° |
| C17 | C12 | N11 | H4 | 122.2° | 120.0° |
| C17 | C12 | C13 | H4 | 119.0° | 120.1° |
| C17 | C12 | C13 | C14 | 177.8° | 175.0° |
| C17 | C12 | C13 | H2 | 62.3° | 55.1° |
| C17 | C12 | C13 | H3 | 57.8° | 65.0° |
| C17 | C12 | N11 | H24 | 115.6° | 25.0° |
| C12 | C17 | N19 | H25 | 1.1° | 0.0° |
| O10 | C9 | O8 | C7 | 12.4° | 0.0° |
| O10 | C9 | O8 | N11 | 179.2° | 180.0° |
| O10 | C9 | N11 | C12 | 1.3° | 0.0° |
| O10 | C9 | N11 | H24 | 178.7° | 180.0° |
| F2 | C2 | C1 | C7 | 0.1° | 0.3° |
| F2 | C2 | C1 | C3 | 179.9° | 180.0° |
| F2 | C2 | C1 | C6 | 180.0° | 180.0° |
| F2 | C2 | C3 | C4 | 180.0° | 180.0° |
| F2 | C2 | C3 | H11 | 0.0° | 0.0° |
| O8 | C7 | C1 | H12 | 120.0° | 120.0° |
| O8 | C7 | C1 | H13 | 120.1° | 120.0° |
| C7 | O8 | C9 | N11 | 168.4° | 180.0° |
| O8 | C7 | C1 | C2 | 169.0° | 179.7° |
| O8 | C7 | C1 | C6 | 10.9° | 0.0° |
| O8 | C7 | H12 | H13 | 119.9° | 120.0° |
| C1 | C7 | O8 | C9 | 172.9° | 180.0° |
| C7 | C1 | C2 | C6 | 179.9° | 179.7° |
| C7 | C1 | C2 | C3 | 179.8° | 179.7° |
| C7 | C1 | C6 | C5 | 179.8° | 179.7° |
| C1 | C7 | H12 | H13 | 119.8° | 120.1° |
| C7 | C1 | C6 | H14 | 0.2° | 0.3° |
| O8 | C9 | N11 | C12 | 179.5° | 180.0° |
| C9 | O8 | C7 | H12 | 52.9° | 60.0° |
| C9 | O8 | C7 | H13 | 67.0° | 60.0° |
| O8 | C9 | N11 | H24 | 0.5° | 0.0° |
| C9 | N11 | C12 | H24 | 180.0° | 180.0° |
| C9 | N11 | C12 | C13 | 179.2° | 85.0° |
| C9 | N11 | C12 | H4 | 57.8° | 35.0° |
| N11 | C12 | C13 | H4 | 122.1° | 120.0° |
| N11 | C12 | C13 | C14 | 63.4° | 65.0° |
| N11 | C12 | C13 | H2 | 56.6° | 175.0° |
| N11 | C12 | C13 | H3 | 176.7° | 55.0° |
| C12 | C13 | C14 | H2 | 120.0° | 119.9° |
| C12 | C13 | C14 | H3 | 120.0° | 120.0° |
| C12 | C13 | C14 | C16 | 65.8° | 65.0° |
| C12 | C13 | C14 | C15 | 175.3° | 175.0° |
| C12 | C13 | C14 | H1 | 55.0° | 55.1° |
| C12 | C13 | H2 | H3 | 120.1° | 120.0° |
| C13 | C12 | N11 | H24 | 0.8° | 95.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.1° |
| C2 | C1 | C6 | C5 | 0.1° | 0.1° |
| C1 | C2 | C3 | H11 | 180.0° | 180.0° |
| C2 | C1 | C7 | H12 | 71.0° | 60.3° |
| C2 | C1 | C7 | H13 | 48.9° | 59.7° |
| C2 | C1 | C6 | H14 | 179.9° | 180.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.1° |
| C2 | C3 | C4 | H11 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.1° |
| C2 | C3 | C4 | F3 | 180.0° | 180.0° |
| C1 | C6 | C5 | H14 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.0° | 0.1° |
| C1 | C6 | C5 | F1 | 180.0° | 180.0° |
| C6 | C1 | C7 | H12 | 109.1° | 120.0° |
| C6 | C1 | C7 | H13 | 131.0° | 120.0° |
| C13 | C14 | C16 | C15 | 118.7° | 120.0° |
| C13 | C14 | C16 | H1 | 120.8° | 120.0° |
| C13 | C14 | C15 | H1 | 120.3° | 120.0° |
| C14 | C13 | H2 | H3 | 120.1° | 120.0° |
| C14 | C13 | C12 | H4 | 58.7° | 54.9° |
| C13 | C14 | C15 | H5 | 180.0° | 60.0° |
| C13 | C14 | C15 | H6 | 60.0° | 180.0° |
| C13 | C14 | C15 | H7 | 60.0° | 60.0° |
| C13 | C14 | C16 | H8 | 180.0° | 60.0° |
| C13 | C14 | C16 | H9 | 60.0° | 180.0° |
| C13 | C14 | C16 | H10 | 60.0° | 59.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.1° |
| C3 | C4 | C5 | F3 | 180.0° | 180.0° |
| C3 | C4 | C5 | F1 | 179.9° | 180.0° |
| C6 | C5 | C4 | F1 | 180.0° | 179.9° |
| C6 | C5 | C4 | F3 | 180.0° | 179.9° |
| C16 | C14 | C15 | H1 | 120.6° | 120.0° |
| C16 | C14 | C13 | H2 | 174.2° | 55.0° |
| C16 | C14 | C13 | H3 | 54.2° | 175.0° |
| C16 | C14 | C15 | H5 | 60.8° | 60.0° |
| C16 | C14 | C15 | H6 | 179.1° | 60.0° |
| C16 | C14 | C15 | H7 | 59.2° | 180.0° |
| C14 | C16 | H8 | H9 | 120.0° | 120.0° |
| C14 | C16 | H8 | H10 | 120.0° | 119.9° |
| C14 | C16 | H9 | H10 | 120.0° | 120.0° |
| C15 | C14 | C13 | H2 | 55.3° | 65.0° |
| C15 | C14 | C13 | H3 | 64.7° | 55.0° |
| C14 | C15 | H5 | H6 | 120.0° | 120.0° |
| C14 | C15 | H5 | H7 | 120.0° | 120.0° |
| C14 | C15 | H6 | H7 | 120.0° | 120.0° |
| C15 | C14 | C16 | H8 | 61.3° | 180.0° |
| C15 | C14 | C16 | H9 | 58.7° | 60.0° |
| C15 | C14 | C16 | H10 | 178.7° | 60.0° |
| C5 | C4 | C3 | H11 | 180.0° | 180.0° |
| C4 | C5 | C6 | H14 | 180.0° | 180.0° |
| F3 | C4 | C5 | F1 | 0.0° | 0.0° |
| F3 | C4 | C3 | H11 | 0.0° | 0.0° |
| F1 | C5 | C6 | H14 | 0.0° | 0.1° |
| S1 | C21 | C20 | H15 | 179.0° | 175.0° |
| S1 | C21 | O22 | H27 | 53.9° | 60.0° |
| C21 | S1 | O2 | O1 | 90.0° | 116.1° |
| C21 | S1 | O2 | O3 | 90.0° | 116.1° |
| C21 | S1 | O1 | O3 | 90.0° | 131.5° |
| C21 | S1 | O2 | H28 | 90.0° | 180.0° |
| H1 | C14 | C13 | H2 | 65.0° | 175.0° |
| H1 | C14 | C13 | H3 | 175.0° | 65.0° |
| H1 | C14 | C15 | H5 | 59.8° | 180.0° |
| H1 | C14 | C15 | H6 | 60.3° | 60.0° |
| H1 | C14 | C15 | H7 | 179.7° | 60.0° |
| H1 | C14 | C16 | H8 | 59.2° | 60.0° |
| H1 | C14 | C16 | H9 | 179.2° | 60.0° |
| H1 | C14 | C16 | H10 | 60.8° | 180.0° |
| H2 | C13 | C12 | H4 | 178.7° | 65.0° |
| H3 | C13 | C12 | H4 | 61.3° | 175.0° |
| H4 | C12 | N11 | H24 | 122.2° | 145.0° |
| H5 | C15 | H6 | H7 | 120.0° | 119.9° |
| H8 | C16 | H9 | H10 | 120.0° | 120.0° |
| H15 | C20 | C21 | H16 | 68.2° | 55.0° |
| H15 | C20 | C24 | H17 | 75.1° | 174.6° |
| H15 | C20 | C24 | H18 | 165.1° | 65.3° |
| H15 | C20 | N19 | H25 | 176.9° | 146.9° |
| H16 | C21 | O22 | H27 | 58.5° | 179.9° |
| H16 | C21 | S1 | O2 | 164.0° | 65.0° |
| H16 | C21 | S1 | O1 | 164.0° | 176.6° |
| H16 | C21 | S1 | O3 | 164.0° | 46.6° |
| H17 | C24 | C25 | H19 | 178.6° | 62.7° |
| H18 | C24 | C25 | H19 | 58.8° | 177.3° |
| H19 | C25 | C26 | H20 | 22.3° | 147.9° |
| H19 | C25 | C26 | H21 | 144.6° | 24.2° |
| H20 | C26 | C27 | H22 | 22.3° | 26.3° |
| H20 | C26 | C27 | H23 | 99.3° | 148.2° |
| H21 | C26 | C27 | H22 | 144.6° | 97.4° |
| H21 | C26 | C27 | H23 | 23.0° | 24.5° |
| H22 | C27 | N28 | H26 | 75.2° | 44.0° |
| H23 | C27 | N28 | H26 | 46.4° | 78.0° |
| O2 | S1 | O1 | O3 | 90.0° | 116.8° |
| O1 | S1 | O2 | H28 | 90.0° | 63.9° |
| O3 | S1 | O2 | H28 | 90.0° | 64.0° |
