1FA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F25 | C24 | sing | 1.40Å | 1.33Å | |
| C24 | C21 | sing | 1.51Å | 1.51Å | |
| C24 | F26 | sing | 1.40Å | 1.31Å | |
| C24 | F27 | sing | 1.40Å | 1.34Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | sing | 1.43Å | 1.30Å | |
| C17 | C16 | trip | 1.17Å | 1.20Å | |
| C16 | C3 | sing | 1.43Å | 1.29Å | |
| C3 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N2 | C1 | doub | 1.33Å | 1.37Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C7 | sing | 1.43Å | 1.29Å | |
| C7 | C8 | trip | 1.17Å | 1.18Å | |
| C8 | C9 | sing | 1.47Å | 1.29Å | |
| C9 | N10 | sing | 1.47Å | 1.46Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| N10 | C15 | sing | 1.47Å | 1.47Å | |
| N10 | C11 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | O13 | sing | 1.43Å | 1.43Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| O13 | C14 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C6 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | S28 | sing | 1.76Å | 1.70Å | |
| S28 | C29 | sing | 1.76Å | 1.70Å | |
| C29 | C30 | doub | 1.39Å | 1.38Å | Aromatic |
| C29 | C34 | sing | 1.39Å | 1.47Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | C35 | sing | 1.51Å | 1.51Å | |
| C34 | C33 | doub | 1.38Å | 1.44Å | Aromatic |
| C35 | C36 | sing | 1.54Å | 1.56Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.54Å | 1.56Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | C33 | sing | 1.51Å | 1.49Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C33 | C32 | sing | 1.39Å | 1.47Å | Aromatic |
| C32 | O38 | sing | 1.36Å | 1.38Å | |
| O38 | C39 | sing | 1.43Å | 1.44Å | |
| C39 | C40 | sing | 1.51Å | 1.51Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C40 | O42 | doub | 1.21Å | 1.26Å | |
| C40 | O41 | sing | 1.34Å | 1.26Å | |
| O41 | HO41 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F25 | C24 | C21 | 108.5° | 109.5° |
| F25 | C24 | F26 | 105.7° | 109.5° |
| F25 | C24 | F27 | 112.8° | 109.4° |
| C21 | C24 | F26 | 110.2° | 109.5° |
| C21 | C24 | F27 | 112.2° | 109.5° |
| C24 | C21 | C22 | 120.6° | 119.9° |
| C24 | C21 | C20 | 120.0° | 119.8° |
| F26 | C24 | F27 | 107.3° | 109.5° |
| C22 | C21 | C20 | 119.4° | 120.3° |
| C21 | C22 | C23 | 120.0° | 120.2° |
| C21 | C22 | H22 | 120.0° | 119.9° |
| C21 | C20 | C19 | 120.8° | 120.2° |
| C21 | C20 | H20 | 119.6° | 120.0° |
| C23 | C22 | H22 | 120.0° | 119.9° |
| C22 | C23 | C18 | 120.9° | 119.8° |
| C22 | C23 | H23 | 119.5° | 120.1° |
| C18 | C23 | H23 | 119.5° | 120.1° |
| C23 | C18 | C19 | 119.0° | 119.6° |
| C23 | C18 | C17 | 119.4° | 120.2° |
| C19 | C20 | H20 | 119.6° | 119.9° |
| C20 | C19 | C18 | 119.9° | 119.9° |
| C20 | C19 | H19 | 120.1° | 120.1° |
| C18 | C19 | H19 | 120.0° | 120.0° |
| C19 | C18 | C17 | 121.6° | 120.2° |
| C18 | C17 | C16 | 172.2° | 179.9° |
| C17 | C16 | C3 | 171.8° | 179.9° |
| C16 | C3 | N2 | 119.9° | 119.7° |
| C16 | C3 | C4 | 120.3° | 119.6° |
| N2 | C3 | C4 | 119.9° | 120.7° |
| C3 | N2 | C1 | 120.5° | 121.7° |
| C3 | C4 | C5 | 120.3° | 119.1° |
| C3 | C4 | H4 | 119.9° | 120.4° |
| C5 | C4 | H4 | 119.8° | 120.4° |
| C4 | C5 | C6 | 118.9° | 118.5° |
| C4 | C5 | S28 | 123.1° | 120.7° |
| N2 | C1 | C6 | 121.2° | 120.8° |
| N2 | C1 | C7 | 121.6° | 119.7° |
| C6 | C1 | C7 | 117.2° | 119.6° |
| C1 | C6 | C5 | 119.3° | 119.2° |
| C1 | C6 | H6 | 120.3° | 120.4° |
| C1 | C7 | C8 | 178.1° | 179.9° |
| C7 | C8 | C9 | 179.0° | 180.0° |
| C8 | C9 | N10 | 113.1° | 109.5° |
| C8 | C9 | H91 | 108.3° | 109.5° |
| C8 | C9 | H92 | 107.4° | 109.5° |
| N10 | C9 | H91 | 108.3° | 109.4° |
| N10 | C9 | H92 | 107.4° | 109.4° |
| C9 | N10 | C15 | 118.6° | 111.0° |
| C9 | N10 | C11 | 119.4° | 111.0° |
| H91 | C9 | H92 | 112.4° | 109.5° |
| C15 | N10 | C11 | 121.9° | 110.7° |
| N10 | C15 | C14 | 104.8° | 109.3° |
| N10 | C15 | H151 | 111.0° | 109.5° |
| N10 | C15 | H152 | 112.0° | 109.5° |
| N10 | C11 | C12 | 106.1° | 109.2° |
| N10 | C11 | H111 | 110.6° | 109.5° |
| N10 | C11 | H112 | 111.4° | 109.6° |
| C12 | C11 | H111 | 110.6° | 109.5° |
| C12 | C11 | H112 | 111.4° | 109.5° |
| C11 | C12 | O13 | 108.2° | 109.3° |
| C11 | C12 | H121 | 109.9° | 109.5° |
| C11 | C12 | H122 | 110.1° | 109.5° |
| H111 | C11 | H112 | 106.9° | 109.6° |
| O13 | C12 | H121 | 109.9° | 109.5° |
| O13 | C12 | H122 | 110.2° | 109.4° |
| C12 | O13 | C14 | 112.3° | 113.7° |
| H121 | C12 | H122 | 108.5° | 109.6° |
| O13 | C14 | C15 | 108.6° | 109.3° |
| O13 | C14 | H141 | 109.8° | 109.5° |
| O13 | C14 | H142 | 110.0° | 109.5° |
| C15 | C14 | H141 | 109.8° | 109.5° |
| C15 | C14 | H142 | 110.0° | 109.5° |
| C14 | C15 | H151 | 111.0° | 109.5° |
| C14 | C15 | H152 | 112.0° | 109.5° |
| H141 | C14 | H142 | 108.8° | 109.6° |
| H151 | C15 | H152 | 106.0° | 109.5° |
| C5 | C6 | H6 | 120.4° | 120.3° |
| C6 | C5 | S28 | 118.1° | 120.8° |
| C5 | S28 | C29 | 106.9° | 103.0° |
| S28 | C29 | C30 | 121.6° | 119.9° |
| S28 | C29 | C34 | 120.9° | 119.9° |
| C30 | C29 | C34 | 117.5° | 120.2° |
| C29 | C30 | C31 | 122.6° | 119.9° |
| C29 | C30 | H30 | 118.7° | 120.0° |
| C29 | C34 | C35 | 129.5° | 130.4° |
| C29 | C34 | C33 | 120.1° | 119.8° |
| C31 | C30 | H30 | 118.7° | 120.1° |
| C30 | C31 | C32 | 122.8° | 120.0° |
| C30 | C31 | H31 | 118.6° | 120.0° |
| C32 | C31 | H31 | 118.6° | 120.0° |
| C31 | C32 | C33 | 117.2° | 120.3° |
| C31 | C32 | O38 | 124.4° | 119.9° |
| C35 | C34 | C33 | 110.5° | 109.8° |
| C34 | C35 | C36 | 101.0° | 105.2° |
| C34 | C35 | H351 | 112.4° | 110.3° |
| C34 | C35 | H352 | 114.1° | 110.3° |
| C34 | C33 | C37 | 111.5° | 109.8° |
| C34 | C33 | C32 | 119.9° | 119.9° |
| C36 | C35 | H351 | 112.4° | 110.3° |
| C36 | C35 | H352 | 114.1° | 110.3° |
| C35 | C36 | C37 | 107.3° | 102.3° |
| C35 | C36 | H361 | 110.2° | 110.8° |
| C35 | C36 | H362 | 110.7° | 110.8° |
| H351 | C35 | H352 | 103.2° | 110.3° |
| C37 | C36 | H361 | 110.2° | 110.8° |
| C37 | C36 | H362 | 110.7° | 110.8° |
| C36 | C37 | C33 | 101.2° | 105.2° |
| C36 | C37 | H371 | 112.3° | 110.3° |
| C36 | C37 | H372 | 114.1° | 110.3° |
| H361 | C36 | H362 | 107.8° | 110.9° |
| C33 | C37 | H371 | 112.3° | 110.3° |
| C33 | C37 | H372 | 114.1° | 110.3° |
| C37 | C33 | C32 | 128.6° | 130.4° |
| H371 | C37 | H372 | 103.3° | 110.4° |
| C33 | C32 | O38 | 118.4° | 119.8° |
| C32 | O38 | C39 | 123.4° | 117.0° |
| O38 | C39 | C40 | 109.8° | 109.5° |
| O38 | C39 | H391 | 109.4° | 109.4° |
| O38 | C39 | H392 | 109.3° | 109.5° |
| C40 | C39 | H391 | 109.4° | 109.4° |
| C40 | C39 | H392 | 109.3° | 109.5° |
| C39 | C40 | O42 | 116.0° | 120.0° |
| C39 | C40 | O41 | 119.1° | 120.0° |
| H391 | C39 | H392 | 109.7° | 109.5° |
| O42 | C40 | O41 | 124.9° | 120.0° |
| C40 | O41 | HO41 | 109.5° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F25 | C24 | C21 | F26 | 115.3° | 120.1° |
| F25 | C24 | C21 | F27 | 125.3° | 119.9° |
| F25 | C24 | F26 | F27 | 120.5° | 119.9° |
| F25 | C24 | C21 | C22 | 130.3° | 89.9° |
| F25 | C24 | C21 | C20 | 49.1° | 90.3° |
| C21 | C24 | F26 | F27 | 122.4° | 120.0° |
| C24 | C21 | C22 | C20 | 179.4° | 179.8° |
| C24 | C21 | C22 | C23 | 179.9° | 180.0° |
| C24 | C21 | C22 | H22 | 0.1° | 0.0° |
| C24 | C21 | C20 | C19 | 179.9° | 180.0° |
| C24 | C21 | C20 | H20 | 0.1° | 0.0° |
| F26 | C24 | C21 | C22 | 15.0° | 150.0° |
| F26 | C24 | C21 | C20 | 164.4° | 29.8° |
| F27 | C24 | C21 | C22 | 104.4° | 30.0° |
| F27 | C24 | C21 | C20 | 76.1° | 149.8° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C18 | 0.2° | 0.0° |
| C21 | C22 | C23 | H23 | 179.8° | 180.0° |
| C22 | C21 | C20 | C19 | 0.7° | 0.2° |
| C22 | C21 | C20 | H20 | 179.3° | 179.8° |
| C20 | C21 | C22 | C23 | 0.5° | 0.2° |
| C20 | C21 | C22 | H22 | 179.5° | 179.8° |
| C21 | C20 | C19 | H20 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 0.6° | 0.1° |
| C21 | C20 | C19 | H19 | 179.4° | 180.0° |
| C22 | C23 | C18 | H23 | 180.0° | 180.0° |
| C22 | C23 | C18 | C19 | 0.1° | 0.2° |
| C22 | C23 | C18 | C17 | 179.6° | 179.9° |
| H22 | C22 | C23 | C18 | 179.8° | 180.0° |
| H22 | C22 | C23 | H23 | 0.2° | 0.0° |
| C23 | C18 | C19 | C20 | 0.3° | 0.3° |
| C23 | C18 | C19 | C17 | 179.7° | 179.8° |
| C23 | C18 | C19 | H19 | 179.7° | 179.8° |
| C23 | C18 | C17 | C16 | 57.6° | 51.7° |
| H23 | C23 | C18 | C19 | 179.9° | 179.8° |
| H23 | C23 | C18 | C17 | 0.5° | 0.1° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 179.4° | 179.9° |
| H20 | C20 | C19 | C18 | 179.4° | 180.0° |
| H20 | C20 | C19 | H19 | 0.6° | 0.0° |
| C19 | C18 | C17 | C16 | 122.7° | 128.2° |
| H19 | C19 | C18 | C17 | 0.6° | 0.1° |
| C18 | C17 | C16 | C3 | 135.1° | 180.0° |
| C17 | C16 | C3 | N2 | 66.7° | 51.6° |
| C17 | C16 | C3 | C4 | 111.9° | 128.7° |
| C16 | C3 | N2 | C4 | 178.6° | 179.7° |
| C16 | C3 | C4 | C5 | 179.3° | 180.0° |
| C16 | C3 | C4 | H4 | 0.7° | 0.0° |
| C16 | C3 | N2 | C1 | 179.6° | 180.0° |
| N2 | C3 | C4 | C5 | 0.7° | 0.3° |
| N2 | C3 | C4 | H4 | 179.3° | 179.7° |
| C3 | N2 | C1 | C6 | 0.7° | 0.0° |
| C3 | N2 | C1 | C7 | 179.1° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C4 | C3 | N2 | C1 | 1.0° | 0.3° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | S28 | 179.7° | 180.0° |
| C4 | C5 | C6 | C1 | 0.3° | 0.3° |
| C4 | C5 | C6 | S28 | 179.8° | 180.0° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| C4 | C5 | S28 | C29 | 2.8° | 94.9° |
| H4 | C4 | C5 | C6 | 180.0° | 180.0° |
| H4 | C4 | C5 | S28 | 0.2° | 0.0° |
| N2 | C1 | C6 | C7 | 179.8° | 180.0° |
| N2 | C1 | C7 | C8 | 179.6° | 20.1° |
| N2 | C1 | C6 | C5 | 0.0° | 0.3° |
| N2 | C1 | C6 | H6 | 180.0° | 180.0° |
| C6 | C1 | C7 | C8 | 0.6° | 159.9° |
| C1 | C6 | C5 | H6 | 180.0° | 179.7° |
| C1 | C6 | C5 | S28 | 179.9° | 179.8° |
| C1 | C7 | C8 | C9 | 174.3° | 91.5° |
| C7 | C1 | C6 | C5 | 179.8° | 179.8° |
| C7 | C1 | C6 | H6 | 0.2° | 0.0° |
| C7 | C8 | C9 | N10 | 179.9° | 108.5° |
| C7 | C8 | C9 | H91 | 59.9° | 11.4° |
| C7 | C8 | C9 | H92 | 61.7° | 131.5° |
| C8 | C9 | N10 | H91 | 120.0° | 120.0° |
| C8 | C9 | N10 | H92 | 118.4° | 120.0° |
| C8 | C9 | H91 | H92 | 118.5° | 120.1° |
| C8 | C9 | N10 | C15 | 96.7° | 170.0° |
| C8 | C9 | N10 | C11 | 84.6° | 66.4° |
| N10 | C9 | H91 | H92 | 118.5° | 119.9° |
| C9 | N10 | C15 | C11 | 178.6° | 123.8° |
| C9 | N10 | C11 | C12 | 131.0° | 177.6° |
| C9 | N10 | C11 | H111 | 11.0° | 57.7° |
| C9 | N10 | C11 | H112 | 107.7° | 62.5° |
| C9 | N10 | C15 | C14 | 130.1° | 177.6° |
| C9 | N10 | C15 | H151 | 109.9° | 62.5° |
| C9 | N10 | C15 | H152 | 8.4° | 57.6° |
| H91 | C9 | N10 | C15 | 143.3° | 70.0° |
| H91 | C9 | N10 | C11 | 35.4° | 53.6° |
| H92 | C9 | N10 | C15 | 21.7° | 50.0° |
| H92 | C9 | N10 | C11 | 157.0° | 173.6° |
| C15 | N10 | C11 | C12 | 50.4° | 58.7° |
| C15 | N10 | C11 | H111 | 170.4° | 178.5° |
| C15 | N10 | C11 | H112 | 70.9° | 61.3° |
| N10 | C15 | C14 | O13 | 54.4° | 56.9° |
| N10 | C15 | C14 | H151 | 120.0° | 119.9° |
| N10 | C15 | C14 | H152 | 121.7° | 119.9° |
| N10 | C15 | C14 | H141 | 65.6° | 63.1° |
| N10 | C15 | C14 | H142 | 174.7° | 176.8° |
| N10 | C15 | H151 | H152 | 121.9° | 120.1° |
| N10 | C11 | C12 | H111 | 120.0° | 119.9° |
| N10 | C11 | C12 | H112 | 121.3° | 120.0° |
| N10 | C11 | H111 | H112 | 121.4° | 120.2° |
| N10 | C11 | C12 | O13 | 52.1° | 56.9° |
| N10 | C11 | C12 | H121 | 67.9° | 63.0° |
| N10 | C11 | C12 | H122 | 172.6° | 176.8° |
| C11 | N10 | C15 | C14 | 51.3° | 58.7° |
| C11 | N10 | C15 | H151 | 68.7° | 61.3° |
| C11 | N10 | C15 | H152 | 173.0° | 178.6° |
| C12 | C11 | H111 | H112 | 121.4° | 120.1° |
| C11 | C12 | O13 | H121 | 120.0° | 120.0° |
| C11 | C12 | O13 | H122 | 120.5° | 119.9° |
| C11 | C12 | H121 | H122 | 120.5° | 120.2° |
| C11 | C12 | O13 | C14 | 66.8° | 58.7° |
| H111 | C11 | C12 | O13 | 172.1° | 176.8° |
| H111 | C11 | C12 | H121 | 52.0° | 56.9° |
| H111 | C11 | C12 | H122 | 67.4° | 63.3° |
| H112 | C11 | C12 | O13 | 69.2° | 63.1° |
| H112 | C11 | C12 | H121 | 170.8° | 177.0° |
| H112 | C11 | C12 | H122 | 51.3° | 56.8° |
| O13 | C12 | H121 | H122 | 120.5° | 120.0° |
| C12 | O13 | C14 | C15 | 68.7° | 58.7° |
| C12 | O13 | C14 | H141 | 51.3° | 61.3° |
| C12 | O13 | C14 | H142 | 170.9° | 178.6° |
| H121 | C12 | O13 | C14 | 53.2° | 61.3° |
| H122 | C12 | O13 | C14 | 172.7° | 178.6° |
| O13 | C14 | C15 | H141 | 120.0° | 120.0° |
| O13 | C14 | C15 | H142 | 120.4° | 119.9° |
| O13 | C14 | H141 | H142 | 120.4° | 120.1° |
| O13 | C14 | C15 | H151 | 65.6° | 63.0° |
| O13 | C14 | C15 | H152 | 176.1° | 176.8° |
| C15 | C14 | H141 | H142 | 120.4° | 120.1° |
| C14 | C15 | H151 | H152 | 121.9° | 120.1° |
| H141 | C14 | C15 | H151 | 174.4° | 177.0° |
| H141 | C14 | C15 | H152 | 56.1° | 56.8° |
| H142 | C14 | C15 | H151 | 54.8° | 56.8° |
| H142 | C14 | C15 | H152 | 63.5° | 63.3° |
| C6 | C5 | S28 | C29 | 177.4° | 85.1° |
| H6 | C6 | C5 | S28 | 0.1° | 0.0° |
| C5 | S28 | C29 | C30 | 108.2° | 5.4° |
| C5 | S28 | C29 | C34 | 69.8° | 174.8° |
| S28 | C29 | C30 | C34 | 178.1° | 179.8° |
| S28 | C29 | C30 | C31 | 178.9° | 180.0° |
| S28 | C29 | C30 | H30 | 1.1° | 0.1° |
| S28 | C29 | C34 | C35 | 1.5° | 0.0° |
| S28 | C29 | C34 | C33 | 178.5° | 180.0° |
| C29 | C30 | C31 | H30 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.6° | 0.1° |
| C29 | C30 | C31 | H31 | 179.4° | 180.0° |
| C30 | C29 | C34 | C35 | 179.6° | 179.8° |
| C30 | C29 | C34 | C33 | 0.4° | 0.2° |
| C34 | C29 | C30 | C31 | 0.8° | 0.2° |
| C34 | C29 | C30 | H30 | 179.2° | 179.7° |
| C29 | C34 | C35 | C33 | 180.0° | 180.0° |
| C29 | C34 | C35 | C36 | 162.1° | 162.8° |
| C29 | C34 | C35 | H351 | 42.1° | 43.8° |
| C29 | C34 | C35 | H352 | 74.9° | 78.3° |
| C29 | C34 | C33 | C37 | 179.3° | 180.0° |
| C29 | C34 | C33 | C32 | 0.3° | 0.0° |
| C30 | C31 | C32 | H31 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.1° | 0.4° |
| C30 | C31 | C32 | O38 | 179.8° | 180.0° |
| H30 | C30 | C31 | C32 | 179.4° | 180.0° |
| H30 | C30 | C31 | H31 | 0.6° | 0.1° |
| C31 | C32 | C33 | C34 | 0.5° | 0.3° |
| C31 | C32 | C33 | C37 | 179.3° | 179.7° |
| C31 | C32 | C33 | O38 | 179.7° | 179.7° |
| C31 | C32 | O38 | C39 | 10.6° | 0.0° |
| H31 | C31 | C32 | C33 | 179.9° | 179.7° |
| H31 | C31 | C32 | O38 | 0.2° | 0.1° |
| C34 | C35 | C36 | H351 | 120.0° | 119.0° |
| C34 | C35 | C36 | H352 | 123.0° | 118.9° |
| C34 | C35 | H351 | H352 | 123.4° | 122.1° |
| C34 | C35 | C36 | C37 | 28.2° | 26.3° |
| C34 | C35 | C36 | H361 | 91.8° | 91.9° |
| C34 | C35 | C36 | H362 | 149.1° | 144.5° |
| C35 | C34 | C33 | C37 | 0.7° | 0.0° |
| C35 | C34 | C33 | C32 | 179.7° | 180.0° |
| C33 | C34 | C35 | C36 | 17.9° | 17.2° |
| C33 | C34 | C35 | H351 | 137.9° | 136.2° |
| C33 | C34 | C35 | H352 | 105.1° | 101.7° |
| C34 | C33 | C37 | C36 | 16.8° | 17.2° |
| C34 | C33 | C37 | C32 | 178.9° | 180.0° |
| C34 | C33 | C37 | H371 | 136.8° | 136.1° |
| C34 | C33 | C37 | H372 | 106.1° | 101.7° |
| C34 | C33 | C32 | O38 | 179.8° | 180.0° |
| C36 | C35 | H351 | H352 | 123.4° | 122.1° |
| C35 | C36 | C37 | H361 | 120.0° | 118.2° |
| C35 | C36 | C37 | H362 | 120.9° | 118.2° |
| C35 | C36 | H361 | H362 | 120.9° | 123.5° |
| C35 | C36 | C37 | C33 | 27.8° | 26.3° |
| C35 | C36 | C37 | H371 | 147.8° | 145.2° |
| C35 | C36 | C37 | H372 | 95.1° | 92.6° |
| H351 | C35 | C36 | C37 | 148.2° | 145.3° |
| H351 | C35 | C36 | H361 | 28.2° | 27.1° |
| H351 | C35 | C36 | H362 | 90.9° | 96.5° |
| H352 | C35 | C36 | C37 | 94.8° | 92.6° |
| H352 | C35 | C36 | H361 | 145.3° | 149.2° |
| H352 | C35 | C36 | H362 | 26.1° | 25.6° |
| C37 | C36 | H361 | H362 | 120.9° | 123.6° |
| C36 | C37 | C33 | H371 | 120.0° | 118.9° |
| C36 | C37 | C33 | H372 | 122.9° | 118.9° |
| C36 | C37 | H371 | H372 | 123.4° | 122.1° |
| C36 | C37 | C33 | C32 | 162.1° | 162.8° |
| H361 | C36 | C37 | C33 | 92.2° | 91.9° |
| H361 | C36 | C37 | H371 | 27.8° | 27.0° |
| H361 | C36 | C37 | H372 | 144.9° | 149.2° |
| H362 | C36 | C37 | C33 | 148.7° | 144.5° |
| H362 | C36 | C37 | H371 | 91.3° | 96.6° |
| H362 | C36 | C37 | H372 | 25.8° | 25.6° |
| C33 | C37 | H371 | H372 | 123.3° | 122.1° |
| C37 | C33 | C32 | O38 | 1.0° | 0.0° |
| H371 | C37 | C33 | C32 | 42.1° | 43.9° |
| H372 | C37 | C33 | C32 | 75.0° | 78.3° |
| C33 | C32 | O38 | C39 | 169.1° | 179.7° |
| C32 | O38 | C39 | C40 | 75.3° | 180.0° |
| C32 | O38 | C39 | H391 | 164.7° | 60.0° |
| C32 | O38 | C39 | H392 | 44.5° | 60.0° |
| O38 | C39 | C40 | H391 | 120.0° | 119.9° |
| O38 | C39 | C40 | H392 | 119.9° | 120.1° |
| O38 | C39 | H391 | H392 | 119.9° | 120.0° |
| O38 | C39 | C40 | O42 | 30.0° | 0.1° |
| O38 | C39 | C40 | O41 | 149.2° | 180.0° |
| C40 | C39 | H391 | H392 | 119.8° | 120.0° |
| C39 | C40 | O42 | O41 | 179.2° | 179.9° |
| C39 | C40 | O41 | HO41 | 179.1° | 180.0° |
| H391 | C39 | C40 | O42 | 90.0° | 120.0° |
| H391 | C39 | C40 | O41 | 90.8° | 60.1° |
| H392 | C39 | C40 | O42 | 149.9° | 120.0° |
| H392 | C39 | C40 | O41 | 29.3° | 59.9° |
| O42 | C40 | O41 | HO41 | 0.0° | 0.1° |
