FMM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | S2 | sing | 1.81Å | 1.77Å | |
| C1 | H11A | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13 | sing | 1.09Å | 1.11Å | |
| S2 | O3 | doub | 1.42Å | 1.45Å | |
| S2 | O4 | doub | 1.42Å | 1.45Å | |
| S2 | C5 | sing | 1.81Å | 1.81Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | N7 | sing | 1.47Å | 1.47Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| N7 | C8 | sing | 1.47Å | 1.47Å | |
| N7 | HN7 | sing | 1.01Å | 1.02Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | doub | 1.35Å | 1.35Å | Aromatic |
| C9 | O13 | sing | 1.34Å | 1.44Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.29Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | doub | 1.36Å | 1.37Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | O13 | sing | 1.35Å | 1.40Å | Aromatic |
| C12 | C14 | sing | 1.48Å | 1.47Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C40 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.36Å | 1.37Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | N18 | doub | 1.34Å | 1.38Å | Aromatic |
| C17 | C39 | sing | 1.42Å | 1.39Å | Aromatic |
| N18 | C19 | sing | 1.31Å | 1.38Å | Aromatic |
| C19 | N20 | doub | 1.32Å | 1.38Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| N20 | C21 | sing | 1.33Å | 1.38Å | Aromatic |
| C21 | N22 | sing | 1.38Å | 1.39Å | |
| C21 | C39 | doub | 1.42Å | 1.41Å | Aromatic |
| N22 | C23 | sing | 1.40Å | 1.41Å | |
| N22 | H22 | sing | 0.97Å | 1.02Å | |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C38 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | O27 | sing | 1.36Å | 1.42Å | |
| C26 | C36 | sing | 1.39Å | 1.36Å | Aromatic |
| O27 | C28 | sing | 1.43Å | 1.43Å | |
| C28 | C29 | sing | 1.51Å | 1.54Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C32 | C33 | sing | 1.38Å | 1.37Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | F34 | sing | 1.35Å | 1.31Å | |
| C33 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | CL3 | sing | 1.74Å | 1.69Å | |
| C36 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C39 | C40 | sing | 1.40Å | 1.38Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S2 | C1 | H11A | 112.3° | 109.5° |
| S2 | C1 | H12 | 109.4° | 109.5° |
| S2 | C1 | H13 | 112.2° | 109.5° |
| C1 | S2 | O3 | 109.4° | 109.0° |
| C1 | S2 | O4 | 109.4° | 109.0° |
| C1 | S2 | C5 | 109.5° | 99.4° |
| H11A | C1 | H12 | 112.2° | 109.5° |
| H11A | C1 | H13 | 98.2° | 109.5° |
| H12 | C1 | H13 | 112.2° | 109.5° |
| O3 | S2 | O4 | 109.6° | 119.6° |
| O3 | S2 | C5 | 109.6° | 109.0° |
| O4 | S2 | C5 | 109.4° | 109.0° |
| S2 | C5 | C6 | 109.5° | 109.5° |
| S2 | C5 | H51 | 112.2° | 109.5° |
| S2 | C5 | H52 | 112.2° | 109.5° |
| C6 | C5 | H51 | 112.2° | 109.5° |
| C6 | C5 | H52 | 112.2° | 109.5° |
| C5 | C6 | N7 | 109.3° | 109.5° |
| C5 | C6 | H61 | 112.3° | 109.5° |
| C5 | C6 | H62 | 112.3° | 109.5° |
| H51 | C5 | H52 | 98.2° | 109.5° |
| N7 | C6 | H61 | 112.3° | 109.5° |
| N7 | C6 | H62 | 112.3° | 109.5° |
| C6 | N7 | C8 | 109.6° | 106.7° |
| C6 | N7 | HN7 | 112.1° | 106.7° |
| H61 | C6 | H62 | 98.1° | 109.4° |
| C8 | N7 | HN7 | 112.2° | 106.7° |
| N7 | C8 | C9 | 109.4° | 109.5° |
| N7 | C8 | H81 | 112.2° | 109.5° |
| N7 | C8 | H82 | 112.3° | 109.5° |
| C9 | C8 | H81 | 112.2° | 109.5° |
| C9 | C8 | H82 | 112.2° | 109.4° |
| C8 | C9 | C10 | 123.2° | 125.6° |
| C8 | C9 | O13 | 122.7° | 125.7° |
| H81 | C8 | H82 | 98.2° | 109.5° |
| C10 | C9 | O13 | 114.1° | 108.7° |
| C9 | C10 | C11 | 107.4° | 107.0° |
| C9 | C10 | H10 | 128.0° | 126.5° |
| C9 | O13 | C12 | 96.4° | 109.4° |
| C11 | C10 | H10 | 124.6° | 126.5° |
| C10 | C11 | C12 | 107.8° | 106.8° |
| C10 | C11 | H11 | 123.7° | 126.6° |
| C12 | C11 | H11 | 128.4° | 126.6° |
| C11 | C12 | O13 | 114.2° | 108.1° |
| C11 | C12 | C14 | 123.1° | 125.9° |
| O13 | C12 | C14 | 122.7° | 126.0° |
| C12 | C14 | C15 | 119.9° | 119.8° |
| C12 | C14 | C40 | 120.2° | 119.8° |
| C15 | C14 | C40 | 119.8° | 120.4° |
| C14 | C15 | C16 | 119.9° | 120.9° |
| C14 | C15 | H15 | 120.7° | 119.6° |
| C14 | C40 | C39 | 119.7° | 119.3° |
| C14 | C40 | H40 | 121.1° | 120.3° |
| C16 | C15 | H15 | 119.4° | 119.5° |
| C15 | C16 | C17 | 120.4° | 120.0° |
| C15 | C16 | H16 | 119.1° | 120.0° |
| C17 | C16 | H16 | 120.5° | 120.0° |
| C16 | C17 | N18 | 119.7° | 121.8° |
| C16 | C17 | C39 | 120.4° | 119.6° |
| N18 | C17 | C39 | 119.9° | 118.6° |
| C17 | N18 | C19 | 120.3° | 120.5° |
| C17 | C39 | C21 | 119.7° | 118.2° |
| C17 | C39 | C40 | 119.8° | 119.9° |
| N18 | C19 | N20 | 120.3° | 123.1° |
| N18 | C19 | H19 | 119.9° | 118.5° |
| N20 | C19 | H19 | 119.8° | 118.5° |
| C19 | N20 | C21 | 120.4° | 121.4° |
| N20 | C21 | N22 | 120.4° | 120.9° |
| N20 | C21 | C39 | 119.4° | 118.1° |
| N22 | C21 | C39 | 120.2° | 120.9° |
| C21 | N22 | C23 | 122.0° | 120.0° |
| C21 | N22 | H22 | 107.7° | 120.0° |
| C21 | C39 | C40 | 120.6° | 121.9° |
| C23 | N22 | H22 | 107.8° | 120.0° |
| N22 | C23 | C24 | 120.0° | 120.0° |
| N22 | C23 | C38 | 120.6° | 120.0° |
| C24 | C23 | C38 | 119.4° | 120.0° |
| C23 | C24 | C25 | 119.7° | 120.0° |
| C23 | C24 | H24 | 120.3° | 120.0° |
| C23 | C38 | C36 | 120.1° | 120.0° |
| C23 | C38 | H38 | 120.5° | 120.0° |
| C25 | C24 | H24 | 120.0° | 120.0° |
| C24 | C25 | C26 | 119.7° | 120.0° |
| C24 | C25 | H25 | 120.2° | 120.0° |
| C26 | C25 | H25 | 120.1° | 120.0° |
| C25 | C26 | O27 | 121.2° | 120.0° |
| C25 | C26 | C36 | 120.2° | 120.0° |
| O27 | C26 | C36 | 118.6° | 120.0° |
| C26 | O27 | C28 | 113.5° | 106.8° |
| C26 | C36 | CL3 | 118.9° | 120.0° |
| C26 | C36 | C38 | 120.8° | 120.0° |
| O27 | C28 | C29 | 111.9° | 109.5° |
| O27 | C28 | H281 | 111.3° | 109.6° |
| O27 | C28 | H282 | 111.3° | 109.4° |
| C29 | C28 | H281 | 111.3° | 109.5° |
| C29 | C28 | H282 | 111.4° | 109.5° |
| C28 | C29 | C30 | 119.4° | 120.0° |
| C28 | C29 | C35 | 120.8° | 120.0° |
| H281 | C28 | H282 | 99.0° | 109.5° |
| C30 | C29 | C35 | 119.8° | 120.0° |
| C29 | C30 | C31 | 120.0° | 120.1° |
| C29 | C30 | H30 | 119.9° | 119.9° |
| C29 | C35 | C33 | 119.8° | 120.0° |
| C29 | C35 | H35 | 120.6° | 120.0° |
| C31 | C30 | H30 | 120.1° | 120.0° |
| C30 | C31 | C32 | 120.1° | 120.0° |
| C30 | C31 | H31 | 120.0° | 120.0° |
| C32 | C31 | H31 | 119.9° | 119.9° |
| C31 | C32 | C33 | 120.1° | 120.0° |
| C31 | C32 | H32 | 120.1° | 120.0° |
| C33 | C32 | H32 | 119.8° | 120.0° |
| C32 | C33 | F34 | 119.9° | 120.0° |
| C32 | C33 | C35 | 120.2° | 119.9° |
| F34 | C33 | C35 | 119.9° | 120.1° |
| C33 | C35 | H35 | 119.6° | 120.0° |
| CL3 | C36 | C38 | 120.3° | 120.0° |
| C36 | C38 | H38 | 119.4° | 120.0° |
| C39 | C40 | H40 | 119.2° | 120.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S2 | C1 | H11A | H12 | 123.7° | 120.0° |
| S2 | C1 | H11A | H13 | 118.2° | 120.0° |
| S2 | C1 | H12 | H13 | 125.3° | 120.0° |
| C1 | S2 | O3 | O4 | 119.9° | 126.2° |
| C1 | S2 | O3 | C5 | 120.0° | 107.5° |
| C1 | S2 | O4 | C5 | 119.9° | 107.5° |
| C1 | S2 | C5 | C6 | 14.8° | 180.0° |
| C1 | S2 | C5 | H51 | 110.5° | 60.0° |
| C1 | S2 | C5 | H52 | 140.1° | 60.0° |
| H11A | C1 | H12 | H13 | 109.4° | 120.0° |
| H11A | C1 | S2 | O3 | 54.7° | 66.1° |
| H11A | C1 | S2 | O4 | 65.3° | 66.1° |
| H11A | C1 | S2 | C5 | 174.8° | 180.0° |
| H12 | C1 | S2 | O3 | 180.0° | 53.9° |
| H12 | C1 | S2 | O4 | 60.0° | 174.0° |
| H12 | C1 | S2 | C5 | 59.9° | 60.0° |
| H13 | C1 | S2 | O3 | 54.8° | 174.0° |
| H13 | C1 | S2 | O4 | 174.8° | 53.9° |
| H13 | C1 | S2 | C5 | 65.3° | 60.0° |
| O3 | S2 | O4 | C5 | 120.1° | 126.3° |
| O3 | S2 | C5 | C6 | 134.7° | 66.1° |
| O3 | S2 | C5 | H51 | 9.5° | 173.9° |
| O3 | S2 | C5 | H52 | 100.0° | 53.9° |
| O4 | S2 | C5 | C6 | 105.1° | 66.1° |
| O4 | S2 | C5 | H51 | 129.6° | 53.9° |
| O4 | S2 | C5 | H52 | 20.2° | 173.9° |
| S2 | C5 | C6 | H51 | 125.2° | 120.0° |
| S2 | C5 | C6 | H52 | 125.3° | 120.0° |
| S2 | C5 | H51 | H52 | 118.1° | 120.0° |
| S2 | C5 | C6 | N7 | 106.4° | 180.0° |
| S2 | C5 | C6 | H61 | 128.3° | 60.0° |
| S2 | C5 | C6 | H62 | 18.8° | 60.0° |
| C6 | C5 | H51 | H52 | 118.1° | 120.0° |
| C5 | C6 | N7 | H61 | 125.3° | 120.0° |
| C5 | C6 | N7 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 118.2° | 120.0° |
| C5 | C6 | N7 | C8 | 118.0° | 180.0° |
| C5 | C6 | N7 | HN7 | 116.7° | 66.2° |
| H51 | C5 | C6 | N7 | 18.8° | 60.0° |
| H51 | C5 | C6 | H61 | 106.5° | 179.9° |
| H51 | C5 | C6 | H62 | 144.1° | 60.0° |
| H52 | C5 | C6 | N7 | 128.3° | 60.0° |
| H52 | C5 | C6 | H61 | 3.0° | 60.1° |
| H52 | C5 | C6 | H62 | 106.5° | NaN° |
| N7 | C6 | H61 | H62 | 118.2° | 120.0° |
| C6 | N7 | C8 | HN7 | 125.2° | 113.8° |
| C6 | N7 | C8 | C9 | 104.7° | 179.9° |
| C6 | N7 | C8 | H81 | 130.1° | 60.0° |
| C6 | N7 | C8 | H82 | 20.6° | 60.0° |
| H61 | C6 | N7 | C8 | 7.2° | 59.9° |
| H61 | C6 | N7 | HN7 | 118.0° | 173.7° |
| H62 | C6 | N7 | C8 | 116.7° | 60.0° |
| H62 | C6 | N7 | HN7 | 8.6° | 53.8° |
| N7 | C8 | C9 | H81 | 125.2° | 120.0° |
| N7 | C8 | C9 | H82 | 125.3° | 120.0° |
| N7 | C8 | H81 | H82 | 118.2° | 120.0° |
| N7 | C8 | C9 | C10 | 80.2° | 89.7° |
| N7 | C8 | C9 | O13 | 99.8° | 90.0° |
| HN7 | N7 | C8 | C9 | 20.6° | 66.2° |
| HN7 | N7 | C8 | H81 | 104.7° | 173.8° |
| HN7 | N7 | C8 | H82 | 145.9° | 53.8° |
| C9 | C8 | H81 | H82 | 118.1° | 120.0° |
| C8 | C9 | C10 | O13 | 180.0° | 179.7° |
| C8 | C9 | C10 | C11 | 179.8° | 179.9° |
| C8 | C9 | C10 | H10 | 0.2° | 0.3° |
| C8 | C9 | O13 | C12 | 179.4° | 179.9° |
| H81 | C8 | C9 | C10 | 154.6° | 30.3° |
| H81 | C8 | C9 | O13 | 25.5° | 150.0° |
| H82 | C8 | C9 | C10 | 45.1° | 150.3° |
| H82 | C8 | C9 | O13 | 134.9° | 30.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.6° |
| C9 | C10 | C11 | C12 | 0.3° | 0.4° |
| C9 | C10 | C11 | H11 | 179.7° | 179.8° |
| C10 | C9 | O13 | C12 | 0.5° | 0.2° |
| O13 | C9 | C10 | C11 | 0.2° | 0.4° |
| O13 | C9 | C10 | H10 | 179.8° | 180.0° |
| C9 | O13 | C12 | C11 | 0.7° | 0.1° |
| C9 | O13 | C12 | C14 | 178.4° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.8° |
| C10 | C11 | C12 | O13 | 0.7° | 0.3° |
| C10 | C11 | C12 | C14 | 178.4° | 179.8° |
| H10 | C10 | C11 | C12 | 179.7° | 180.0° |
| H10 | C10 | C11 | H11 | 0.3° | 0.3° |
| C11 | C12 | O13 | C14 | 179.1° | 179.9° |
| C11 | C12 | C14 | C15 | 3.1° | 39.8° |
| C11 | C12 | C14 | C40 | 176.1° | 140.0° |
| H11 | C11 | C12 | O13 | 179.3° | 180.0° |
| H11 | C11 | C12 | C14 | 1.6° | 0.1° |
| O13 | C12 | C14 | C15 | 177.9° | 140.3° |
| O13 | C12 | C14 | C40 | 2.9° | 39.9° |
| C12 | C14 | C15 | C40 | 179.2° | 179.8° |
| C12 | C14 | C15 | C16 | 178.5° | 180.0° |
| C12 | C14 | C15 | H15 | 1.5° | 0.0° |
| C12 | C14 | C40 | C39 | 178.6° | 179.8° |
| C12 | C14 | C40 | H40 | 1.4° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.3° | 0.0° |
| C14 | C15 | C16 | H16 | 179.7° | 180.0° |
| C15 | C14 | C40 | C39 | 0.6° | 0.4° |
| C15 | C14 | C40 | H40 | 179.4° | 179.8° |
| C40 | C14 | C15 | C16 | 0.7° | 0.2° |
| C40 | C14 | C15 | H15 | 179.4° | 179.8° |
| C14 | C40 | C39 | C17 | 0.1° | 0.4° |
| C14 | C40 | C39 | C21 | 179.8° | 179.7° |
| C14 | C40 | C39 | H40 | 180.0° | 179.8° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | N18 | 179.9° | 179.9° |
| C15 | C16 | C17 | C39 | 0.1° | 0.0° |
| H15 | C15 | C16 | C17 | 179.7° | 180.0° |
| H15 | C15 | C16 | H16 | 0.3° | 0.0° |
| C16 | C17 | N18 | C39 | 179.9° | 180.0° |
| C16 | C17 | N18 | C19 | 180.0° | 180.0° |
| C16 | C17 | C39 | C21 | 179.9° | 180.0° |
| C16 | C17 | C39 | C40 | 0.2° | 0.2° |
| H16 | C16 | C17 | N18 | 0.1° | 0.0° |
| H16 | C16 | C17 | C39 | 179.9° | 180.0° |
| C17 | N18 | C19 | N20 | 0.1° | 0.1° |
| C17 | N18 | C19 | H19 | 179.9° | 180.0° |
| N18 | C17 | C39 | C21 | 0.1° | 0.0° |
| N18 | C17 | C39 | C40 | 179.8° | 179.8° |
| C39 | C17 | N18 | C19 | 0.0° | 0.0° |
| C17 | C39 | C21 | N20 | 0.1° | 0.0° |
| C17 | C39 | C21 | N22 | 179.9° | 180.0° |
| C17 | C39 | C21 | C40 | 179.9° | 179.8° |
| C17 | C39 | C40 | H40 | 179.9° | 179.8° |
| N18 | C19 | N20 | H19 | 180.0° | 180.0° |
| N18 | C19 | N20 | C21 | 0.0° | 0.0° |
| C19 | N20 | C21 | N22 | 179.9° | 180.0° |
| C19 | N20 | C21 | C39 | 0.1° | 0.0° |
| H19 | C19 | N20 | C21 | 180.0° | 180.0° |
| N20 | C21 | N22 | C39 | 179.8° | 179.9° |
| N20 | C21 | N22 | C23 | 8.8° | 5.7° |
| N20 | C21 | N22 | H22 | 116.5° | 174.2° |
| N20 | C21 | C39 | C40 | 179.8° | 179.8° |
| C21 | N22 | C23 | H22 | 125.3° | 179.9° |
| C21 | N22 | C23 | C24 | 125.0° | 35.3° |
| C21 | N22 | C23 | C38 | 55.3° | 144.9° |
| N22 | C21 | C39 | C40 | 0.0° | 0.1° |
| C39 | C21 | N22 | C23 | 171.4° | 174.2° |
| C39 | C21 | N22 | H22 | 63.3° | 5.9° |
| C21 | C39 | C40 | H40 | 0.2° | 0.0° |
| N22 | C23 | C24 | C38 | 179.7° | 179.8° |
| N22 | C23 | C24 | C25 | 179.9° | 180.0° |
| N22 | C23 | C24 | H24 | 0.1° | 0.0° |
| N22 | C23 | C38 | C36 | 179.9° | 179.8° |
| N22 | C23 | C38 | H38 | 0.1° | 0.2° |
| H22 | N22 | C23 | C24 | 0.3° | 144.8° |
| H22 | N22 | C23 | C38 | 179.5° | 34.9° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.0° |
| C23 | C24 | C25 | H25 | 180.0° | 180.0° |
| C24 | C23 | C38 | C36 | 0.1° | 0.4° |
| C24 | C23 | C38 | H38 | 179.8° | 179.9° |
| C38 | C23 | C24 | C25 | 0.2° | 0.2° |
| C38 | C23 | C24 | H24 | 179.8° | 179.8° |
| C23 | C38 | C36 | C26 | 0.0° | 0.4° |
| C23 | C38 | C36 | CL3 | 179.9° | 179.8° |
| C23 | C38 | C36 | H38 | 180.0° | 179.7° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | O27 | 179.6° | 180.0° |
| C24 | C25 | C26 | C36 | 0.1° | 0.0° |
| H24 | C24 | C25 | C26 | 180.0° | 180.0° |
| H24 | C24 | C25 | H25 | 0.0° | 0.0° |
| C25 | C26 | O27 | C36 | 179.8° | 180.0° |
| C25 | C26 | O27 | C28 | 11.1° | 0.0° |
| C25 | C26 | C36 | CL3 | 179.9° | 180.0° |
| C25 | C26 | C36 | C38 | 0.2° | 0.2° |
| H25 | C25 | C26 | O27 | 0.4° | 0.0° |
| H25 | C25 | C26 | C36 | 179.9° | 180.0° |
| C26 | O27 | C28 | C29 | 83.2° | 180.0° |
| C26 | O27 | C28 | H281 | 42.1° | 59.9° |
| C26 | O27 | C28 | H282 | 151.5° | 60.1° |
| O27 | C26 | C36 | CL3 | 0.3° | 0.0° |
| O27 | C26 | C36 | C38 | 179.6° | 179.8° |
| C36 | C26 | O27 | C28 | 168.7° | 180.0° |
| C26 | C36 | CL3 | C38 | 179.9° | 179.8° |
| C26 | C36 | C38 | H38 | 180.0° | 180.0° |
| O27 | C28 | C29 | H281 | 125.3° | 120.1° |
| O27 | C28 | C29 | H282 | 125.3° | 119.9° |
| O27 | C28 | H281 | H282 | 117.2° | 120.0° |
| O27 | C28 | C29 | C30 | 179.9° | 90.0° |
| O27 | C28 | C29 | C35 | 0.2° | 90.2° |
| C29 | C28 | H281 | H282 | 117.2° | 120.0° |
| C28 | C29 | C30 | C35 | 179.7° | 179.8° |
| C28 | C29 | C30 | C31 | 179.7° | 180.0° |
| C28 | C29 | C30 | H30 | 0.3° | 0.1° |
| C28 | C29 | C35 | C33 | 179.6° | 179.7° |
| C28 | C29 | C35 | H35 | 0.4° | 0.2° |
| H281 | C28 | C29 | C30 | 54.6° | 30.1° |
| H281 | C28 | C29 | C35 | 125.0° | 149.7° |
| H282 | C28 | C29 | C30 | 54.8° | 150.1° |
| H282 | C28 | C29 | C35 | 125.5° | 29.7° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.2° | 0.0° |
| C29 | C30 | C31 | H31 | 179.9° | 180.0° |
| C30 | C29 | C35 | C33 | 0.1° | 0.5° |
| C30 | C29 | C35 | H35 | 179.9° | 180.0° |
| C35 | C29 | C30 | C31 | 0.1° | 0.2° |
| C35 | C29 | C30 | H30 | 180.0° | 179.7° |
| C29 | C35 | C33 | C32 | 0.2° | 0.6° |
| C29 | C35 | C33 | F34 | 179.7° | 179.8° |
| C29 | C35 | C33 | H35 | 180.0° | 179.4° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.1° |
| C30 | C31 | C32 | H32 | 179.9° | 180.0° |
| H30 | C30 | C31 | C32 | 179.9° | 180.0° |
| H30 | C30 | C31 | H31 | 0.1° | 0.0° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | F34 | 179.8° | 180.0° |
| C31 | C32 | C33 | C35 | 0.1° | 0.4° |
| H31 | C31 | C32 | C33 | 179.9° | 179.9° |
| H31 | C31 | C32 | H32 | 0.1° | 0.0° |
| C32 | C33 | F34 | C35 | 179.8° | 179.6° |
| C32 | C33 | C35 | H35 | 179.8° | 180.0° |
| H32 | C32 | C33 | F34 | 0.3° | 0.1° |
| H32 | C32 | C33 | C35 | 179.9° | 179.7° |
| F34 | C33 | C35 | H35 | 0.3° | 0.3° |
| CL3 | C36 | C38 | H38 | 0.1° | 0.1° |
