YLF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL30 | C29 | sing | 1.74Å | 1.72Å | |
| C29 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C32 | C33 | doub | 1.39Å | 1.42Å | Aromatic |
| C27 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.51Å | 1.52Å | |
| C33 | C23 | sing | 1.51Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.55Å | 1.56Å | |
| C23 | C34 | sing | 1.52Å | 1.52Å | |
| C23 | C24 | sing | 1.52Å | 1.54Å | |
| O21 | C22 | sing | 1.41Å | 1.44Å | |
| O21 | C20 | sing | 1.34Å | 1.36Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C34 | N35 | sing | 1.49Å | 1.53Å | |
| C6 | N5 | sing | 1.46Å | 1.45Å | |
| C20 | C19 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | C67 | sing | 1.46Å | 1.48Å | Aromatic |
| C19 | C18 | sing | 1.36Å | 1.37Å | Aromatic |
| C39 | C40 | sing | 1.54Å | 1.53Å | |
| C39 | C37 | sing | 1.54Å | 1.54Å | |
| N35 | C67 | sing | 1.40Å | 1.45Å | |
| N35 | C36 | sing | 1.49Å | 1.55Å | |
| N5 | C7 | sing | 1.34Å | 1.33Å | Aromatic |
| N5 | N4 | sing | 1.40Å | 1.39Å | Aromatic |
| C67 | C68 | doub | 1.40Å | 1.39Å | Aromatic |
| C40 | O41 | sing | 1.43Å | 1.43Å | |
| C18 | C17 | doub | 1.41Å | 1.42Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C37 | sing | 1.51Å | 1.53Å | |
| C37 | C42 | sing | 1.54Å | 1.57Å | |
| N4 | C3 | doub | 1.31Å | 1.31Å | Aromatic |
| C68 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C15 | sing | 1.48Å | 1.48Å | |
| O41 | C42 | sing | 1.44Å | 1.43Å | |
| C65 | C63 | sing | 1.53Å | 1.53Å | |
| C8 | C3 | sing | 1.42Å | 1.42Å | Aromatic |
| C8 | C9 | sing | 1.47Å | 1.47Å | |
| C42 | C44 | sing | 1.52Å | 1.55Å | |
| N14 | C15 | sing | 1.33Å | 1.30Å | |
| N14 | S12 | doub | 1.51Å | 1.48Å | |
| N11 | C9 | sing | 1.35Å | 1.34Å | |
| N11 | S12 | sing | 1.65Å | 1.65Å | |
| C3 | O2 | sing | 1.36Å | 1.36Å | |
| C15 | O16 | doub | 1.23Å | 1.23Å | |
| F60 | C59 | sing | 1.35Å | 1.34Å | |
| C63 | C62 | sing | 1.52Å | 1.52Å | |
| C63 | C66 | sing | 1.54Å | 1.53Å | |
| C9 | O10 | doub | 1.22Å | 1.21Å | |
| S12 | C66 | sing | 1.82Å | 1.81Å | |
| S12 | O13 | doub | 1.41Å | 1.42Å | |
| C59 | C44 | sing | 1.50Å | 1.53Å | |
| C59 | C61 | doub | 1.32Å | 1.32Å | |
| C62 | C61 | sing | 1.50Å | 1.51Å | |
| C44 | O57 | sing | 1.43Å | 1.44Å | |
| C44 | C45 | sing | 1.53Å | 1.55Å | |
| O2 | C1 | sing | 1.43Å | 1.43Å | |
| O57 | C58 | sing | 1.43Å | 1.44Å | |
| C45 | N46 | sing | 1.47Å | 1.48Å | |
| N46 | C47 | sing | 1.47Å | 1.48Å | |
| N46 | C56 | sing | 1.47Å | 1.48Å | |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C48 | N49 | sing | 1.47Å | 1.48Å | |
| C54 | C56 | sing | 1.53Å | 1.53Å | |
| C54 | N49 | sing | 1.47Å | 1.47Å | |
| C54 | C53 | sing | 1.53Å | 1.54Å | |
| N49 | C50 | sing | 1.47Å | 1.48Å | |
| C50 | C51 | sing | 1.53Å | 1.54Å | |
| O52 | C53 | sing | 1.43Å | 1.43Å | |
| O52 | C51 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.08Å | 1.08Å | |
| C32 | H13 | sing | 1.08Å | 1.08Å | |
| C34 | H14 | sing | 1.08Å | 1.10Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C36 | H16 | sing | 1.07Å | 1.10Å | |
| C36 | H17 | sing | 1.10Å | 1.10Å | |
| C37 | H18 | sing | 1.10Å | 1.10Å | |
| C39 | H19 | sing | 1.09Å | 1.10Å | |
| C39 | H20 | sing | 1.09Å | 1.10Å | |
| C40 | H21 | sing | 1.09Å | 1.10Å | |
| C40 | H22 | sing | 1.09Å | 1.10Å | |
| N11 | H23 | sing | 0.97Å | 1.00Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.08Å | 1.08Å | |
| C42 | H33 | sing | 1.09Å | 1.10Å | |
| C45 | H34 | sing | 1.09Å | 1.10Å | |
| C45 | H35 | sing | 1.09Å | 1.10Å | |
| C47 | H37 | sing | 1.09Å | 1.10Å | |
| C47 | H38 | sing | 1.09Å | 1.10Å | |
| C48 | H39 | sing | 1.09Å | 1.10Å | |
| C48 | H40 | sing | 1.09Å | 1.10Å | |
| C50 | H42 | sing | 1.09Å | 1.10Å | |
| C50 | H43 | sing | 1.09Å | 1.10Å | |
| C51 | H44 | sing | 1.09Å | 1.10Å | |
| C51 | H45 | sing | 1.09Å | 1.10Å | |
| C53 | H46 | sing | 1.09Å | 1.10Å | |
| C53 | H47 | sing | 1.09Å | 1.10Å | |
| C54 | H48 | sing | 1.09Å | 1.10Å | |
| C56 | H49 | sing | 1.09Å | 1.10Å | |
| C56 | H50 | sing | 1.09Å | 1.10Å | |
| C58 | H51 | sing | 1.09Å | 1.10Å | |
| C58 | H52 | sing | 1.09Å | 1.10Å | |
| C58 | H53 | sing | 1.09Å | 1.10Å | |
| C61 | H54 | sing | 1.09Å | 1.08Å | |
| C62 | H55 | sing | 1.09Å | 1.10Å | |
| C62 | H56 | sing | 1.09Å | 1.10Å | |
| C63 | H57 | sing | 1.09Å | 1.10Å | |
| C65 | H58 | sing | 1.09Å | 1.10Å | |
| C65 | H59 | sing | 1.09Å | 1.10Å | |
| C65 | H60 | sing | 1.09Å | 1.10Å | |
| C66 | H61 | sing | 1.09Å | 1.10Å | |
| C66 | H62 | sing | 1.09Å | 1.10Å | |
| C68 | H63 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL30 | C29 | C31 | 120.7° | 120.3° |
| CL30 | C29 | C28 | 120.4° | 120.2° |
| C31 | C29 | C28 | 118.9° | 119.5° |
| C29 | C31 | C32 | 120.5° | 119.9° |
| C29 | C31 | H12 | 119.8° | 119.9° |
| C29 | C28 | C27 | 120.6° | 120.6° |
| C29 | C28 | H32 | 119.7° | 119.9° |
| C31 | C32 | C33 | 121.3° | 120.7° |
| C32 | C31 | H12 | 119.7° | 120.1° |
| C31 | C32 | H13 | 119.4° | 119.6° |
| C28 | C27 | C33 | 121.5° | 120.2° |
| C28 | C27 | C26 | 116.2° | 118.3° |
| C27 | C28 | H32 | 119.7° | 119.6° |
| C32 | C33 | C27 | 117.2° | 119.1° |
| C32 | C33 | C23 | 120.0° | 117.2° |
| C33 | C32 | H13 | 119.4° | 119.7° |
| C33 | C27 | C26 | 122.3° | 121.5° |
| C27 | C33 | C23 | 122.8° | 123.6° |
| C27 | C26 | C25 | 109.9° | 108.9° |
| C27 | C26 | H30 | 109.4° | 109.6° |
| C27 | C26 | H31 | 109.4° | 109.3° |
| C33 | C23 | C22 | 109.1° | 105.9° |
| C33 | C23 | C34 | 109.1° | 112.3° |
| C33 | C23 | C24 | 111.1° | 112.5° |
| C26 | C25 | C24 | 107.8° | 108.9° |
| C26 | C25 | H28 | 109.9° | 109.2° |
| C26 | C25 | H29 | 109.9° | 109.6° |
| C25 | C26 | H30 | 109.4° | 109.7° |
| C25 | C26 | H31 | 109.4° | 109.3° |
| C22 | C23 | C34 | 110.8° | 106.5° |
| C22 | C23 | C24 | 105.8° | 108.0° |
| C23 | C22 | O21 | 111.1° | 106.9° |
| C23 | C22 | H26 | 109.1° | 109.6° |
| C23 | C22 | H27 | 109.0° | 109.7° |
| C34 | C23 | C24 | 110.9° | 111.2° |
| C23 | C34 | N35 | 105.6° | 111.9° |
| C23 | C34 | H14 | 110.4° | 109.9° |
| C23 | C34 | H15 | 110.4° | 109.1° |
| C23 | C24 | C25 | 112.2° | 110.8° |
| C23 | C24 | H10 | 108.8° | 109.7° |
| C23 | C24 | H11 | 108.8° | 109.6° |
| C22 | O21 | C20 | 120.5° | 120.8° |
| O21 | C22 | H26 | 109.1° | 110.0° |
| O21 | C22 | H27 | 109.1° | 110.4° |
| O21 | C20 | C19 | 117.0° | 115.8° |
| O21 | C20 | C67 | 123.5° | 123.5° |
| C25 | C24 | H10 | 108.8° | 109.0° |
| C25 | C24 | H11 | 108.8° | 109.2° |
| C24 | C25 | H28 | 109.9° | 109.6° |
| C24 | C25 | H29 | 109.9° | 109.9° |
| C34 | N35 | C67 | 112.4° | 106.8° |
| C34 | N35 | C36 | 109.9° | 104.6° |
| N35 | C34 | H14 | 110.4° | 109.1° |
| N35 | C34 | H15 | 110.4° | 107.2° |
| C6 | N5 | C7 | 126.6° | 125.6° |
| C6 | N5 | N4 | 124.7° | 125.7° |
| N5 | C6 | H4 | 109.5° | 109.5° |
| N5 | C6 | H5 | 109.5° | 109.5° |
| N5 | C6 | H6 | 109.5° | 109.5° |
| C19 | C20 | C67 | 119.5° | 120.4° |
| C20 | C19 | C18 | 120.8° | 120.0° |
| C20 | C19 | H9 | 119.6° | 119.4° |
| C20 | C67 | N35 | 118.8° | 123.9° |
| C20 | C67 | C68 | 117.2° | 116.3° |
| C19 | C18 | C17 | 120.5° | 119.7° |
| C19 | C18 | H8 | 119.7° | 120.1° |
| C18 | C19 | H9 | 119.6° | 120.6° |
| C40 | C39 | C37 | 105.2° | 102.9° |
| C39 | C40 | O41 | 107.3° | 106.8° |
| C40 | C39 | H19 | 110.5° | 110.5° |
| C40 | C39 | H20 | 110.5° | 110.8° |
| C39 | C40 | H21 | 110.0° | 110.0° |
| C39 | C40 | H22 | 110.0° | 109.8° |
| C39 | C37 | C36 | 114.5° | 111.4° |
| C39 | C37 | C42 | 104.0° | 105.1° |
| C39 | C37 | H18 | 109.6° | 107.4° |
| C37 | C39 | H19 | 110.5° | 110.9° |
| C37 | C39 | H20 | 110.5° | 110.8° |
| C67 | N35 | C36 | 115.9° | 108.5° |
| N35 | C67 | C68 | 123.7° | 119.8° |
| N35 | C36 | C37 | 124.3° | 114.1° |
| N35 | C36 | H16 | 105.6° | 112.3° |
| N35 | C36 | H17 | 105.6° | 106.0° |
| C7 | N5 | N4 | 108.7° | 108.7° |
| N5 | C7 | C8 | 107.6° | 107.5° |
| N5 | C7 | H7 | 126.2° | 126.3° |
| N5 | N4 | C3 | 109.3° | 108.8° |
| C67 | C68 | C17 | 121.7° | 120.7° |
| C67 | C68 | H63 | 119.1° | 120.9° |
| C40 | O41 | C42 | 112.4° | 110.7° |
| O41 | C40 | H21 | 110.0° | 110.0° |
| O41 | C40 | H22 | 110.0° | 110.0° |
| C18 | C17 | C68 | 120.1° | 120.8° |
| C18 | C17 | C15 | 123.1° | 119.6° |
| C17 | C18 | H8 | 119.7° | 120.2° |
| C7 | C8 | C3 | 107.0° | 107.1° |
| C7 | C8 | C9 | 127.4° | 126.5° |
| C8 | C7 | H7 | 126.2° | 126.2° |
| C36 | C37 | C42 | 109.5° | 113.0° |
| C37 | C36 | H16 | 105.7° | 110.3° |
| C37 | C36 | H17 | 105.6° | 106.8° |
| C36 | C37 | H18 | 109.7° | 110.2° |
| C37 | C42 | O41 | 106.6° | 107.4° |
| C37 | C42 | C44 | 118.8° | 113.5° |
| C42 | C37 | H18 | 109.2° | 109.5° |
| C37 | C42 | H33 | 107.2° | 109.4° |
| N4 | C3 | C8 | 107.5° | 107.9° |
| N4 | C3 | O2 | 126.4° | 126.0° |
| C68 | C17 | C15 | 116.8° | 119.6° |
| C17 | C68 | H63 | 119.1° | 118.3° |
| C17 | C15 | N14 | 116.9° | 117.0° |
| C17 | C15 | O16 | 120.2° | 120.8° |
| O41 | C42 | C44 | 107.6° | 108.2° |
| O41 | C42 | H33 | 108.9° | 108.4° |
| C65 | C63 | C62 | 110.6° | 109.1° |
| C65 | C63 | C66 | 110.1° | 109.1° |
| C65 | C63 | H57 | 108.7° | 109.7° |
| C63 | C65 | H58 | 109.5° | 109.5° |
| C63 | C65 | H59 | 109.5° | 109.5° |
| C63 | C65 | H60 | 109.5° | 109.4° |
| C3 | C8 | C9 | 125.6° | 126.5° |
| C8 | C3 | O2 | 126.1° | 126.0° |
| C8 | C9 | N11 | 119.5° | 120.0° |
| C8 | C9 | O10 | 120.2° | 120.0° |
| C42 | C44 | C59 | 108.7° | 114.8° |
| C42 | C44 | O57 | 106.2° | 108.5° |
| C42 | C44 | C45 | 113.5° | 107.8° |
| C44 | C42 | H33 | 107.4° | 109.8° |
| C15 | N14 | S12 | 126.6° | 117.7° |
| N14 | C15 | O16 | 122.8° | 122.2° |
| N14 | S12 | N11 | 106.0° | 108.8° |
| N14 | S12 | C66 | 109.6° | 106.6° |
| N14 | S12 | O13 | 108.2° | 108.6° |
| C9 | N11 | S12 | 122.3° | 120.0° |
| N11 | C9 | O10 | 120.3° | 120.0° |
| C9 | N11 | H23 | 118.9° | 120.1° |
| N11 | S12 | C66 | 107.4° | 108.1° |
| N11 | S12 | O13 | 111.4° | 109.0° |
| S12 | N11 | H23 | 118.8° | 120.0° |
| C3 | O2 | C1 | 117.9° | 117.0° |
| F60 | C59 | C44 | 115.9° | 120.8° |
| F60 | C59 | C61 | 117.2° | 119.2° |
| C62 | C63 | C66 | 110.0° | 109.7° |
| C63 | C62 | C61 | 111.2° | 112.2° |
| C63 | C62 | H55 | 109.0° | 108.8° |
| C63 | C62 | H56 | 109.0° | 109.3° |
| C62 | C63 | H57 | 108.7° | 110.3° |
| C63 | C66 | S12 | 112.2° | 108.2° |
| C66 | C63 | H57 | 108.6° | 108.9° |
| C63 | C66 | H61 | 108.8° | 109.8° |
| C63 | C66 | H62 | 108.8° | 109.3° |
| C66 | S12 | O13 | 113.9° | 115.6° |
| S12 | C66 | H61 | 108.8° | 110.2° |
| S12 | C66 | H62 | 108.8° | 109.7° |
| C44 | C59 | C61 | 126.9° | 120.0° |
| C59 | C44 | O57 | 106.9° | 108.5° |
| C59 | C44 | C45 | 114.1° | 108.8° |
| C59 | C61 | C62 | 120.7° | 122.2° |
| C59 | C61 | H54 | 119.7° | 119.5° |
| C62 | C61 | H54 | 119.7° | 118.3° |
| C61 | C62 | H55 | 109.0° | 108.7° |
| C61 | C62 | H56 | 109.0° | 109.2° |
| O57 | C44 | C45 | 107.0° | 108.1° |
| C44 | O57 | C58 | 122.6° | 114.0° |
| C44 | C45 | N46 | 116.6° | 109.5° |
| C44 | C45 | H34 | 107.7° | 109.5° |
| C44 | C45 | H35 | 107.7° | 109.5° |
| O2 | C1 | H1 | 109.5° | 109.5° |
| O2 | C1 | H2 | 109.4° | 109.5° |
| O2 | C1 | H3 | 109.5° | 109.5° |
| O57 | C58 | H51 | 109.5° | 109.5° |
| O57 | C58 | H52 | 109.4° | 109.4° |
| O57 | C58 | H53 | 109.5° | 109.5° |
| C45 | N46 | C47 | 109.1° | 111.0° |
| C45 | N46 | C56 | 115.5° | 111.0° |
| N46 | C45 | H34 | 107.7° | 109.5° |
| N46 | C45 | H35 | 107.7° | 109.4° |
| C47 | N46 | C56 | 110.4° | 110.8° |
| N46 | C47 | C48 | 112.3° | 109.3° |
| N46 | C47 | H37 | 108.7° | 109.5° |
| N46 | C47 | H38 | 108.8° | 109.5° |
| N46 | C56 | C54 | 108.1° | 109.5° |
| N46 | C56 | H49 | 109.8° | 109.5° |
| N46 | C56 | H50 | 109.8° | 109.5° |
| C47 | C48 | N49 | 111.7° | 109.5° |
| C48 | C47 | H37 | 108.8° | 109.5° |
| C48 | C47 | H38 | 108.7° | 109.6° |
| C47 | C48 | H39 | 108.9° | 109.5° |
| C47 | C48 | H40 | 108.9° | 109.5° |
| C48 | N49 | C54 | 110.3° | 110.9° |
| C48 | N49 | C50 | 109.8° | 110.7° |
| N49 | C48 | H39 | 108.9° | 109.5° |
| N49 | C48 | H40 | 108.9° | 109.5° |
| C56 | C54 | N49 | 109.2° | 109.4° |
| C56 | C54 | C53 | 109.4° | 109.2° |
| C56 | C54 | H48 | 108.9° | 109.5° |
| C54 | C56 | H49 | 109.8° | 109.5° |
| C54 | C56 | H50 | 109.8° | 109.4° |
| N49 | C54 | C53 | 110.9° | 109.3° |
| C54 | N49 | C50 | 111.4° | 110.8° |
| N49 | C54 | H48 | 109.6° | 109.5° |
| C54 | C53 | O52 | 108.1° | 109.4° |
| C54 | C53 | H46 | 109.8° | 109.5° |
| C54 | C53 | H47 | 109.8° | 109.5° |
| C53 | C54 | H48 | 108.8° | 109.8° |
| N49 | C50 | C51 | 110.6° | 109.4° |
| N49 | C50 | H42 | 109.2° | 109.4° |
| N49 | C50 | H43 | 109.2° | 109.5° |
| C50 | C51 | O52 | 109.4° | 109.2° |
| C51 | C50 | H42 | 109.2° | 109.5° |
| C51 | C50 | H43 | 109.2° | 109.5° |
| C50 | C51 | H44 | 109.5° | 109.5° |
| C50 | C51 | H45 | 109.5° | 109.6° |
| C53 | O52 | C51 | 113.8° | 113.6° |
| O52 | C53 | H46 | 109.8° | 109.5° |
| O52 | C53 | H47 | 109.8° | 109.5° |
| O52 | C51 | H44 | 109.5° | 109.5° |
| O52 | C51 | H45 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.4° |
| H4 | C6 | H6 | 109.4° | 109.4° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.4° | 108.5° |
| H14 | C34 | H15 | 109.4° | 109.5° |
| H16 | C36 | H17 | 109.5° | 106.9° |
| H19 | C39 | H20 | 109.5° | 110.8° |
| H21 | C40 | H22 | 109.5° | 110.2° |
| H26 | C22 | H27 | 109.5° | 110.2° |
| H28 | C25 | H29 | 109.5° | 109.6° |
| H30 | C26 | H31 | 109.5° | 110.0° |
| H34 | C45 | H35 | 109.4° | 109.5° |
| H37 | C47 | H38 | 109.5° | 109.6° |
| H39 | C48 | H40 | 109.5° | 109.4° |
| H42 | C50 | H43 | 109.5° | 109.6° |
| H44 | C51 | H45 | 109.5° | 109.5° |
| H46 | C53 | H47 | 109.4° | 109.5° |
| H49 | C56 | H50 | 109.5° | 109.4° |
| H51 | C58 | H52 | 109.5° | 109.5° |
| H51 | C58 | H53 | 109.5° | 109.5° |
| H52 | C58 | H53 | 109.5° | 109.4° |
| H55 | C62 | H56 | 109.5° | 108.6° |
| H58 | C65 | H59 | 109.4° | 109.5° |
| H58 | C65 | H60 | 109.5° | 109.5° |
| H59 | C65 | H60 | 109.5° | 109.4° |
| H61 | C66 | H62 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL30 | C29 | C31 | C28 | 179.2° | 179.9° |
| CL30 | C29 | C31 | C32 | 179.1° | 179.3° |
| CL30 | C29 | C28 | C27 | 178.7° | 179.7° |
| CL30 | C29 | C31 | H12 | 0.9° | 0.3° |
| CL30 | C29 | C28 | H32 | 1.3° | 0.5° |
| C29 | C31 | C32 | H12 | 180.0° | 179.6° |
| C31 | C29 | C28 | C27 | 0.6° | 0.1° |
| C29 | C31 | C32 | C33 | 0.1° | 0.6° |
| C29 | C31 | C32 | H13 | 179.9° | 179.3° |
| C31 | C29 | C28 | H32 | 179.4° | 179.7° |
| C28 | C29 | C31 | C32 | 0.1° | 0.5° |
| C29 | C28 | C27 | H32 | 180.0° | 179.8° |
| C29 | C28 | C27 | C33 | 0.9° | 0.2° |
| C29 | C28 | C27 | C26 | 179.9° | 179.2° |
| C28 | C29 | C31 | H12 | 179.9° | 179.9° |
| C31 | C32 | C33 | H13 | 180.0° | 179.9° |
| C31 | C32 | C33 | C27 | 0.2° | 0.3° |
| C31 | C32 | C33 | C23 | 179.7° | 179.6° |
| C28 | C27 | C33 | C32 | 0.7° | 0.2° |
| C28 | C27 | C33 | C26 | 179.0° | 178.9° |
| C28 | C27 | C33 | C23 | 179.8° | 179.1° |
| C28 | C27 | C26 | C25 | 156.2° | 153.3° |
| C28 | C27 | C26 | H30 | 83.7° | 86.7° |
| C28 | C27 | C26 | H31 | 36.1° | 33.9° |
| C32 | C33 | C27 | C23 | 179.5° | 179.3° |
| C32 | C33 | C27 | C26 | 179.7° | 179.1° |
| C32 | C33 | C23 | C22 | 55.3° | 56.8° |
| C32 | C33 | C23 | C34 | 65.8° | 59.0° |
| C32 | C33 | C23 | C24 | 171.6° | 174.6° |
| C33 | C32 | C31 | H12 | 179.9° | 179.8° |
| C33 | C27 | C26 | C25 | 24.8° | 25.6° |
| C27 | C33 | C23 | C22 | 125.1° | 123.9° |
| C27 | C33 | C23 | C34 | 113.7° | 120.2° |
| C27 | C33 | C23 | C24 | 8.8° | 6.1° |
| C27 | C33 | C32 | H13 | 179.8° | 179.7° |
| C33 | C27 | C26 | H30 | 95.3° | 94.4° |
| C33 | C27 | C26 | H31 | 144.9° | 145.0° |
| C33 | C27 | C28 | H32 | 179.1° | 180.0° |
| C26 | C27 | C33 | C23 | 0.8° | 0.2° |
| C27 | C26 | C25 | H30 | 120.1° | 119.9° |
| C27 | C26 | C25 | H31 | 120.1° | 119.4° |
| C27 | C26 | C25 | C24 | 55.4° | 57.2° |
| C27 | C26 | C25 | H28 | 175.1° | 62.5° |
| C27 | C26 | C25 | H29 | 64.3° | 177.5° |
| C27 | C26 | H30 | H31 | 119.8° | 120.2° |
| C26 | C27 | C28 | H32 | 0.1° | 1.0° |
| C33 | C23 | C22 | C34 | 120.1° | 119.7° |
| C33 | C23 | C22 | C24 | 119.6° | 120.8° |
| C33 | C23 | C34 | C24 | 122.7° | 127.1° |
| C33 | C23 | C22 | O21 | 87.6° | 170.8° |
| C33 | C23 | C24 | C25 | 41.6° | 38.3° |
| C33 | C23 | C34 | N35 | 175.3° | 152.2° |
| C33 | C23 | C24 | H10 | 162.0° | 158.7° |
| C33 | C23 | C24 | H11 | 78.8° | 82.2° |
| C23 | C33 | C32 | H13 | 0.2° | 0.4° |
| C33 | C23 | C34 | H14 | 65.3° | 30.8° |
| C33 | C23 | C34 | H15 | 55.9° | 89.3° |
| C33 | C23 | C22 | H26 | 32.6° | 70.0° |
| C33 | C23 | C22 | H27 | 152.1° | 51.1° |
| C26 | C25 | C24 | C23 | 66.7° | 65.7° |
| C26 | C25 | C24 | H28 | 119.7° | 119.4° |
| C26 | C25 | C24 | H29 | 119.8° | 120.0° |
| C26 | C25 | C24 | H10 | 172.8° | 173.5° |
| C26 | C25 | C24 | H11 | 53.7° | 55.1° |
| C26 | C25 | H28 | H29 | 120.8° | 120.0° |
| C25 | C26 | H30 | H31 | 119.8° | 120.3° |
| C22 | C23 | C34 | C24 | 117.2° | 117.5° |
| C23 | C22 | O21 | H26 | 120.3° | 118.9° |
| C23 | C22 | O21 | H27 | 120.2° | 119.2° |
| C23 | C22 | O21 | C20 | 85.7° | 74.3° |
| C22 | C23 | C24 | C25 | 159.9° | 154.9° |
| C22 | C23 | C34 | N35 | 55.1° | 92.3° |
| C22 | C23 | C24 | H10 | 79.7° | 84.8° |
| C22 | C23 | C24 | H11 | 39.5° | 34.3° |
| C22 | C23 | C34 | H14 | 174.5° | 146.3° |
| C22 | C23 | C34 | H15 | 64.3° | 26.1° |
| C23 | C22 | H26 | H27 | 119.2° | 120.8° |
| C34 | C23 | C22 | O21 | 32.5° | 69.5° |
| C34 | C23 | C24 | C25 | 79.9° | 88.6° |
| C23 | C34 | N35 | H14 | 119.4° | 121.9° |
| C23 | C34 | N35 | H15 | 119.4° | 119.6° |
| C23 | C34 | N35 | C67 | 97.9° | 87.9° |
| C23 | C34 | N35 | C36 | 131.4° | 157.2° |
| C34 | C23 | C24 | H10 | 40.6° | 31.8° |
| C34 | C23 | C24 | H11 | 159.7° | 150.8° |
| C23 | C34 | H14 | H15 | 121.8° | 119.9° |
| C34 | C23 | C22 | H26 | 152.8° | 49.7° |
| C34 | C23 | C22 | H27 | 87.8° | 170.8° |
| C24 | C23 | C22 | O21 | 152.8° | 50.0° |
| C23 | C24 | C25 | H10 | 120.4° | 120.8° |
| C23 | C24 | C25 | H11 | 120.4° | 120.8° |
| C24 | C23 | C34 | N35 | 62.1° | 25.2° |
| C23 | C24 | H10 | H11 | 118.8° | 119.7° |
| C24 | C23 | C34 | H14 | 57.3° | 96.3° |
| C24 | C23 | C34 | H15 | 178.5° | 143.6° |
| C24 | C23 | C22 | H26 | 87.0° | 169.2° |
| C24 | C23 | C22 | H27 | 32.5° | 69.6° |
| C23 | C24 | C25 | H28 | 173.5° | 53.7° |
| C23 | C24 | C25 | H29 | 53.0° | 174.2° |
| C22 | O21 | C20 | C19 | 140.7° | 113.9° |
| C22 | O21 | C20 | C67 | 41.8° | 71.4° |
| O21 | C22 | H26 | H27 | 119.3° | 121.9° |
| O21 | C20 | C19 | C67 | 177.6° | 174.9° |
| O21 | C20 | C19 | C18 | 179.4° | 167.4° |
| O21 | C20 | C67 | N35 | 4.5° | 20.6° |
| O21 | C20 | C67 | C68 | 178.7° | 159.5° |
| O21 | C20 | C19 | H9 | 0.6° | 13.9° |
| C20 | O21 | C22 | H26 | 154.1° | 44.6° |
| C20 | O21 | C22 | H27 | 34.6° | 166.5° |
| C25 | C24 | H10 | H11 | 118.7° | 118.8° |
| C24 | C25 | H28 | H29 | 120.8° | 120.7° |
| C24 | C25 | C26 | H30 | 64.7° | 62.7° |
| C24 | C25 | C26 | H31 | 175.5° | 176.6° |
| C34 | N35 | C67 | C20 | 43.9° | 40.8° |
| C34 | N35 | C67 | C36 | 127.6° | 112.2° |
| C34 | N35 | C67 | C68 | 142.2° | 139.1° |
| C34 | N35 | C36 | C37 | 72.6° | 103.6° |
| N35 | C34 | H14 | H15 | 121.8° | 117.1° |
| C34 | N35 | C36 | H16 | 165.3° | 130.0° |
| C34 | N35 | C36 | H17 | 49.4° | 13.6° |
| C6 | N5 | C7 | N4 | 179.6° | 180.0° |
| C6 | N5 | C7 | C8 | 179.5° | 179.9° |
| C6 | N5 | N4 | C3 | 179.6° | 179.8° |
| N5 | C6 | H4 | H5 | 120.0° | 120.0° |
| N5 | C6 | H4 | H6 | 120.0° | 120.0° |
| N5 | C6 | H5 | H6 | 120.0° | 120.0° |
| C6 | N5 | C7 | H7 | 0.6° | 0.1° |
| C20 | C19 | C18 | H9 | 180.0° | 178.7° |
| C19 | C20 | C67 | N35 | 178.1° | 164.9° |
| C19 | C20 | C67 | C68 | 3.8° | 15.0° |
| C20 | C19 | C18 | C17 | 0.8° | 5.7° |
| C20 | C19 | C18 | H8 | 179.1° | 175.0° |
| C67 | C20 | C19 | C18 | 1.8° | 7.5° |
| C20 | C67 | N35 | C68 | 173.8° | 179.9° |
| C20 | C67 | N35 | C36 | 171.5° | 153.0° |
| C20 | C67 | C68 | C17 | 3.4° | 9.6° |
| C67 | C20 | C19 | H9 | 178.2° | 171.2° |
| C20 | C67 | C68 | H63 | 176.6° | 165.6° |
| C19 | C18 | C17 | H8 | 180.0° | 179.3° |
| C19 | C18 | C17 | C68 | 1.4° | 11.3° |
| C19 | C18 | C17 | C15 | 178.2° | 169.6° |
| C40 | C39 | C37 | H19 | 119.3° | 118.1° |
| C40 | C39 | C37 | H20 | 119.3° | 118.5° |
| C39 | C40 | O41 | H21 | 119.6° | 119.3° |
| C39 | C40 | O41 | H22 | 119.7° | 119.1° |
| C40 | C39 | C37 | C36 | 140.4° | 144.3° |
| C40 | C39 | C37 | C42 | 20.9° | 21.6° |
| C39 | C40 | O41 | C42 | 10.1° | 22.2° |
| C40 | C39 | C37 | H18 | 95.9° | 94.9° |
| C40 | C39 | H19 | H20 | 122.0° | 123.2° |
| C39 | C40 | H21 | H22 | 121.0° | 121.2° |
| C39 | C37 | C36 | N35 | 69.2° | 71.1° |
| C37 | C39 | C40 | O41 | 19.6° | 26.9° |
| C39 | C37 | C36 | C42 | 116.4° | 118.1° |
| C39 | C37 | C36 | H18 | 123.7° | 119.1° |
| C39 | C37 | C42 | H18 | 117.0° | 115.1° |
| C39 | C37 | C42 | O41 | 15.4° | 9.6° |
| C39 | C37 | C42 | C44 | 137.0° | 129.1° |
| C39 | C37 | C36 | H16 | 168.8° | 161.5° |
| C39 | C37 | C36 | H17 | 52.8° | 45.6° |
| C37 | C39 | H19 | H20 | 122.0° | 123.4° |
| C37 | C39 | C40 | H21 | 139.2° | 146.2° |
| C37 | C39 | C40 | H22 | 100.1° | 92.4° |
| C39 | C37 | C42 | H33 | 101.1° | 107.9° |
| C67 | N35 | C36 | C37 | 56.2° | 142.7° |
| N35 | C67 | C68 | C17 | 177.3° | 170.3° |
| C67 | N35 | C34 | H14 | 142.7° | 150.2° |
| C67 | N35 | C34 | H15 | 21.6° | 31.7° |
| C67 | N35 | C36 | H16 | 65.8° | 16.2° |
| C67 | N35 | C36 | H17 | 178.2° | 100.2° |
| N35 | C67 | C68 | H63 | 2.6° | 14.5° |
| C36 | N35 | C67 | C68 | 14.6° | 26.9° |
| N35 | C36 | C37 | H16 | 122.0° | 127.5° |
| N35 | C36 | C37 | H17 | 122.0° | 116.7° |
| N35 | C36 | C37 | C42 | 174.4° | 47.0° |
| C36 | N35 | C34 | H14 | 12.0° | 35.3° |
| C36 | N35 | C34 | H15 | 109.1° | 83.3° |
| N35 | C36 | H16 | H17 | 113.3° | 115.8° |
| N35 | C36 | C37 | H18 | 54.6° | 169.8° |
| N5 | C7 | C8 | H7 | 180.0° | 179.9° |
| C7 | N5 | N4 | C3 | 0.0° | 0.2° |
| N5 | C7 | C8 | C3 | 0.2° | 0.1° |
| N5 | C7 | C8 | C9 | 179.6° | 179.8° |
| C7 | N5 | C6 | H4 | 179.5° | 90.0° |
| C7 | N5 | C6 | H5 | 60.4° | 150.0° |
| C7 | N5 | C6 | H6 | 59.6° | 30.0° |
| N4 | N5 | C7 | C8 | 0.2° | 0.0° |
| N5 | N4 | C3 | C8 | 0.1° | 0.3° |
| N5 | N4 | C3 | O2 | 179.9° | 180.0° |
| N4 | N5 | C6 | H4 | 0.0° | 90.0° |
| N4 | N5 | C6 | H5 | 120.0° | 30.0° |
| N4 | N5 | C6 | H6 | 120.0° | 150.0° |
| N4 | N5 | C7 | H7 | 179.8° | 179.9° |
| C67 | C68 | C17 | C18 | 0.9° | 3.1° |
| C67 | C68 | C17 | H63 | 180.0° | 175.3° |
| C67 | C68 | C17 | C15 | 176.2° | 177.8° |
| C40 | O41 | C42 | C37 | 3.5° | 7.8° |
| C40 | O41 | C42 | C44 | 131.9° | 115.0° |
| O41 | C40 | C39 | H19 | 138.9° | 91.6° |
| O41 | C40 | C39 | H20 | 99.7° | 145.3° |
| O41 | C40 | H21 | H22 | 121.0° | 121.4° |
| C40 | O41 | C42 | H33 | 111.9° | 125.9° |
| C18 | C17 | C68 | C15 | 177.1° | 179.1° |
| C18 | C17 | C15 | N14 | 38.8° | 179.3° |
| C18 | C17 | C15 | O16 | 144.5° | 0.3° |
| C17 | C18 | C19 | H9 | 179.2° | 175.6° |
| C18 | C17 | C68 | H63 | 179.1° | 178.4° |
| C7 | C8 | C3 | N4 | 0.2° | 0.2° |
| C7 | C8 | C3 | C9 | 179.4° | 179.9° |
| C7 | C8 | C9 | N11 | 17.6° | 0.1° |
| C7 | C8 | C3 | O2 | 180.0° | 180.0° |
| C7 | C8 | C9 | O10 | 163.6° | 179.9° |
| C36 | C37 | C42 | H18 | 120.2° | 123.2° |
| C36 | C37 | C42 | O41 | 138.2° | 131.2° |
| C36 | C37 | C42 | C44 | 100.2° | 109.2° |
| C37 | C36 | H16 | H17 | 113.3° | 115.7° |
| C36 | C37 | C39 | H19 | 100.3° | 26.2° |
| C36 | C37 | C39 | H20 | 21.1° | 97.2° |
| C36 | C37 | C42 | H33 | 21.7° | 13.8° |
| C37 | C42 | O41 | C44 | 128.5° | 122.8° |
| C37 | C42 | O41 | H33 | 115.4° | 118.1° |
| C37 | C42 | C44 | H33 | 121.8° | 122.7° |
| C37 | C42 | C44 | C59 | 58.0° | 34.5° |
| C37 | C42 | C44 | O57 | 172.7° | 87.1° |
| C37 | C42 | C44 | C45 | 70.1° | 156.0° |
| C42 | C37 | C36 | H16 | 52.4° | 80.5° |
| C42 | C37 | C36 | H17 | 63.6° | 163.7° |
| C42 | C37 | C39 | H19 | 140.2° | 96.5° |
| C42 | C37 | C39 | H20 | 98.4° | 140.1° |
| N4 | C3 | C8 | O2 | 179.8° | 179.8° |
| N4 | C3 | C8 | C9 | 179.6° | 179.7° |
| N4 | C3 | O2 | C1 | 0.1° | 0.3° |
| C68 | C17 | C15 | N14 | 138.1° | 1.5° |
| C68 | C17 | C15 | O16 | 38.6° | 179.5° |
| C68 | C17 | C18 | H8 | 178.6° | 169.5° |
| C17 | C15 | N14 | O16 | 176.6° | 179.0° |
| C17 | C15 | N14 | S12 | 176.9° | 178.2° |
| C15 | C17 | C18 | H8 | 1.7° | 9.7° |
| C15 | C17 | C68 | H63 | 3.9° | 2.4° |
| O41 | C42 | C44 | H33 | 117.1° | 118.2° |
| O41 | C42 | C44 | C59 | 63.1° | 153.6° |
| O41 | C42 | C44 | O57 | 51.6° | 32.0° |
| O41 | C42 | C44 | C45 | 168.8° | 84.9° |
| O41 | C42 | C37 | H18 | 101.6° | 105.6° |
| C42 | O41 | C40 | H21 | 129.8° | 141.5° |
| C42 | O41 | C40 | H22 | 109.5° | 96.9° |
| C65 | C63 | C62 | C66 | 121.9° | 119.5° |
| C65 | C63 | C62 | H57 | 119.3° | 120.5° |
| C65 | C63 | C66 | H57 | 118.9° | 119.7° |
| C65 | C63 | C66 | S12 | 81.9° | 82.6° |
| C65 | C63 | C62 | C61 | 158.6° | 127.3° |
| C65 | C63 | C62 | H55 | 38.3° | 112.3° |
| C65 | C63 | C62 | H56 | 81.1° | 6.1° |
| C63 | C65 | H58 | H59 | 120.0° | 120.1° |
| C63 | C65 | H58 | H60 | 120.0° | 119.9° |
| C63 | C65 | H59 | H60 | 120.0° | 119.9° |
| C65 | C63 | C66 | H61 | 157.7° | 37.7° |
| C65 | C63 | C66 | H62 | 38.6° | 158.0° |
| C3 | C8 | C9 | N11 | 163.1° | 180.0° |
| C3 | C8 | C9 | O10 | 15.7° | 0.0° |
| C8 | C3 | O2 | C1 | 179.8° | 180.0° |
| C3 | C8 | C7 | H7 | 179.8° | 180.0° |
| C8 | C9 | N11 | O10 | 178.8° | 180.0° |
| C8 | C9 | N11 | S12 | 178.9° | 174.9° |
| C9 | C8 | C3 | O2 | 0.6° | 0.1° |
| C9 | C8 | C7 | H7 | 0.4° | 0.1° |
| C8 | C9 | N11 | H23 | 1.1° | 5.1° |
| C42 | C44 | C59 | F60 | 55.3° | 8.1° |
| C42 | C44 | C59 | O57 | 114.2° | 121.6° |
| C42 | C44 | C59 | C45 | 127.7° | 120.9° |
| C42 | C44 | C59 | C61 | 126.3° | 172.3° |
| C42 | C44 | O57 | C45 | 121.5° | 116.7° |
| C42 | C44 | O57 | C58 | 155.2° | 64.9° |
| C42 | C44 | C45 | N46 | 45.6° | 176.2° |
| C44 | C42 | C37 | H18 | 20.0° | 14.0° |
| C42 | C44 | C45 | H34 | 166.6° | 63.7° |
| C42 | C44 | C45 | H35 | 75.5° | 56.3° |
| C15 | N14 | S12 | N11 | 173.6° | 64.7° |
| C15 | N14 | S12 | C66 | 57.9° | 179.0° |
| C15 | N14 | S12 | O13 | 66.8° | 53.8° |
| N14 | S12 | N11 | C9 | 179.7° | 172.0° |
| N14 | S12 | N11 | C66 | 117.1° | 115.5° |
| N14 | S12 | N11 | O13 | 117.5° | 118.2° |
| S12 | N14 | C15 | O16 | 0.3° | 0.8° |
| N14 | S12 | C66 | C63 | 42.0° | 27.7° |
| N14 | S12 | C66 | O13 | 121.4° | 120.8° |
| N14 | S12 | N11 | H23 | 0.2° | 8.0° |
| N14 | S12 | C66 | H61 | 78.4° | 147.8° |
| N14 | S12 | C66 | H62 | 162.4° | 91.4° |
| C9 | N11 | S12 | H23 | 180.0° | 180.0° |
| C9 | N11 | S12 | C66 | 62.7° | 56.5° |
| C9 | N11 | S12 | O13 | 62.7° | 69.8° |
| N11 | S12 | C66 | C63 | 72.7° | 89.1° |
| S12 | N11 | C9 | O10 | 2.3° | 5.2° |
| N11 | S12 | C66 | O13 | 123.9° | 122.4° |
| N11 | S12 | C66 | H61 | 166.9° | 30.9° |
| N11 | S12 | C66 | H62 | 47.7° | 151.7° |
| C3 | O2 | C1 | H1 | 180.0° | 60.0° |
| C3 | O2 | C1 | H2 | 60.0° | 60.0° |
| C3 | O2 | C1 | H3 | 60.0° | 179.9° |
| F60 | C59 | C44 | C61 | 178.4° | 179.6° |
| F60 | C59 | C61 | C62 | 0.8° | 0.2° |
| F60 | C59 | C44 | O57 | 58.9° | 113.5° |
| F60 | C59 | C44 | C45 | 177.0° | 129.1° |
| F60 | C59 | C61 | H54 | 179.2° | 179.1° |
| C62 | C63 | C66 | H57 | 118.9° | 120.8° |
| C62 | C63 | C66 | S12 | 155.9° | 158.0° |
| C63 | C62 | C61 | C59 | 131.7° | 40.5° |
| C63 | C62 | C61 | H55 | 120.3° | 120.4° |
| C63 | C62 | C61 | H56 | 120.2° | 121.3° |
| C63 | C62 | C61 | H54 | 48.2° | 140.1° |
| C63 | C62 | H55 | H56 | 119.2° | 118.8° |
| C62 | C63 | C65 | H58 | 180.0° | 59.9° |
| C62 | C63 | C65 | H59 | 60.0° | 180.0° |
| C62 | C63 | C65 | H60 | 60.0° | 60.0° |
| C62 | C63 | C66 | H61 | 35.5° | 81.7° |
| C62 | C63 | C66 | H62 | 83.6° | 38.6° |
| C63 | C66 | S12 | H61 | 120.4° | 120.1° |
| C63 | C66 | S12 | H62 | 120.4° | 119.1° |
| C63 | C66 | S12 | O13 | 163.4° | 148.5° |
| C66 | C63 | C62 | C61 | 79.5° | 113.2° |
| C66 | C63 | C62 | H55 | 160.3° | 7.2° |
| C66 | C63 | C62 | H56 | 40.8° | 125.6° |
| C66 | C63 | C65 | H58 | 58.2° | 179.7° |
| C66 | C63 | C65 | H59 | 61.8° | 60.2° |
| C66 | C63 | C65 | H60 | 178.2° | 59.8° |
| C63 | C66 | H61 | H62 | 118.8° | 120.1° |
| O10 | C9 | N11 | H23 | 177.7° | 174.8° |
| C66 | S12 | N11 | H23 | 117.3° | 123.5° |
| S12 | C66 | C63 | H57 | 37.1° | 37.1° |
| S12 | C66 | H61 | H62 | 118.8° | 120.8° |
| O13 | S12 | N11 | H23 | 117.3° | 110.2° |
| O13 | S12 | C66 | H61 | 43.0° | 91.4° |
| O13 | S12 | C66 | H62 | 76.2° | 29.3° |
| C44 | C59 | C61 | C62 | 179.2° | 179.8° |
| C59 | C44 | O57 | C45 | 122.6° | 117.9° |
| C59 | C44 | O57 | C58 | 39.3° | 60.5° |
| C59 | C44 | C45 | N46 | 170.8° | 58.6° |
| C59 | C44 | C42 | H33 | 179.8° | 88.3° |
| C59 | C44 | C45 | H34 | 68.2° | 61.4° |
| C59 | C44 | C45 | H35 | 49.8° | 178.6° |
| C44 | C59 | C61 | H54 | 0.8° | 0.5° |
| C59 | C61 | C62 | H54 | 180.0° | 179.3° |
| C61 | C59 | C44 | O57 | 119.5° | 66.1° |
| C61 | C59 | C44 | C45 | 1.5° | 51.4° |
| C59 | C61 | C62 | H55 | 11.5° | 160.9° |
| C59 | C61 | C62 | H56 | 108.0° | 80.7° |
| C61 | C62 | H55 | H56 | 119.2° | 118.7° |
| C61 | C62 | C63 | H57 | 39.3° | 6.8° |
| O57 | C44 | C45 | N46 | 71.2° | 59.1° |
| O57 | C44 | C42 | H33 | 65.5° | 150.2° |
| O57 | C44 | C45 | H34 | 49.8° | 179.1° |
| O57 | C44 | C45 | H35 | 167.8° | 60.9° |
| C44 | O57 | C58 | H51 | 180.0° | 52.0° |
| C44 | O57 | C58 | H52 | 60.0° | 68.0° |
| C44 | O57 | C58 | H53 | 60.0° | 172.1° |
| C45 | C44 | O57 | C58 | 83.3° | 178.4° |
| C44 | C45 | N46 | H34 | 121.0° | 120.0° |
| C44 | C45 | N46 | H35 | 121.1° | 120.0° |
| C44 | C45 | N46 | C47 | 161.5° | 77.9° |
| C44 | C45 | N46 | C56 | 73.4° | 158.4° |
| C45 | C44 | C42 | H33 | 51.7° | 33.2° |
| C44 | C45 | H34 | H35 | 116.8° | 120.0° |
| O2 | C1 | H1 | H2 | 120.0° | 120.0° |
| O2 | C1 | H1 | H3 | 120.0° | 120.0° |
| O2 | C1 | H2 | H3 | 120.0° | 120.0° |
| O57 | C58 | H51 | H52 | 120.0° | 120.0° |
| O57 | C58 | H51 | H53 | 120.0° | 120.1° |
| O57 | C58 | H52 | H53 | 120.0° | 120.0° |
| C45 | N46 | C47 | C56 | 128.0° | 123.8° |
| C45 | N46 | C47 | C48 | 178.2° | 176.7° |
| C45 | N46 | C56 | C54 | 175.4° | 176.8° |
| N46 | C45 | H34 | H35 | 116.8° | 120.0° |
| C45 | N46 | C47 | H37 | 61.3° | 63.4° |
| C45 | N46 | C47 | H38 | 57.8° | 56.7° |
| C45 | N46 | C56 | H49 | 55.6° | 56.8° |
| C45 | N46 | C56 | H50 | 64.8° | 63.2° |
| N46 | C47 | C48 | H37 | 120.4° | 119.9° |
| N46 | C47 | C48 | H38 | 120.4° | 119.9° |
| N46 | C47 | C48 | N49 | 50.3° | 58.5° |
| C47 | N46 | C56 | C54 | 60.2° | 59.4° |
| C47 | N46 | C45 | H34 | 77.5° | 162.0° |
| C47 | N46 | C45 | H35 | 40.5° | 42.1° |
| N46 | C47 | H37 | H38 | 118.7° | 120.1° |
| N46 | C47 | C48 | H39 | 170.7° | 178.5° |
| N46 | C47 | C48 | H40 | 70.0° | 61.5° |
| C47 | N46 | C56 | H49 | 180.0° | 179.4° |
| C47 | N46 | C56 | H50 | 59.6° | 60.6° |
| C56 | N46 | C47 | C48 | 53.8° | 59.5° |
| N46 | C56 | C54 | H49 | 119.8° | 120.0° |
| N46 | C56 | C54 | H50 | 119.8° | 120.0° |
| N46 | C56 | C54 | N49 | 64.5° | 58.2° |
| N46 | C56 | C54 | C53 | 173.9° | 177.9° |
| C56 | N46 | C45 | H34 | 47.6° | 38.3° |
| C56 | N46 | C45 | H35 | 165.5° | 81.6° |
| C56 | N46 | C47 | H37 | 66.6° | 60.4° |
| C56 | N46 | C47 | H38 | 174.2° | 179.5° |
| N46 | C56 | C54 | H48 | 55.2° | 61.9° |
| N46 | C56 | H49 | H50 | 120.7° | 120.0° |
| C47 | C48 | N49 | H39 | 120.3° | 120.0° |
| C47 | C48 | N49 | H40 | 120.3° | 120.0° |
| C47 | C48 | N49 | C54 | 54.0° | 59.1° |
| C47 | C48 | N49 | C50 | 177.1° | 177.4° |
| C48 | C47 | H37 | H38 | 118.7° | 120.2° |
| C47 | C48 | H39 | H40 | 119.0° | 120.0° |
| C48 | N49 | C54 | C56 | 61.6° | 58.9° |
| C48 | N49 | C54 | C50 | 122.1° | 123.4° |
| C48 | N49 | C54 | C53 | 177.8° | 178.5° |
| C48 | N49 | C50 | C51 | 176.4° | 178.0° |
| N49 | C48 | C47 | H37 | 70.1° | 61.4° |
| N49 | C48 | C47 | H38 | 170.7° | 178.4° |
| N49 | C48 | H39 | H40 | 119.0° | 119.9° |
| C48 | N49 | C50 | H42 | 63.5° | 58.1° |
| C48 | N49 | C50 | H43 | 56.2° | 62.0° |
| C48 | N49 | C54 | H48 | 57.7° | 61.2° |
| C56 | C54 | N49 | C53 | 120.7° | 119.6° |
| C56 | C54 | N49 | H48 | 119.2° | 120.1° |
| C56 | C54 | C53 | H48 | 118.8° | 120.1° |
| C56 | C54 | N49 | C50 | 176.3° | 177.7° |
| C56 | C54 | C53 | O52 | 177.5° | 176.3° |
| C56 | C54 | C53 | H46 | 62.7° | 56.3° |
| C56 | C54 | C53 | H47 | 57.7° | 63.7° |
| C54 | C56 | H49 | H50 | 120.6° | 120.0° |
| N49 | C54 | C53 | H48 | 120.6° | 120.2° |
| C54 | N49 | C50 | C51 | 54.0° | 58.4° |
| N49 | C54 | C53 | O52 | 57.0° | 56.6° |
| C54 | N49 | C48 | H39 | 174.3° | 179.2° |
| C54 | N49 | C48 | H40 | 66.3° | 60.9° |
| C54 | N49 | C50 | H42 | 174.1° | 178.3° |
| C54 | N49 | C50 | H43 | 66.2° | 61.6° |
| N49 | C54 | C53 | H46 | 176.8° | 63.4° |
| N49 | C54 | C53 | H47 | 62.8° | 176.6° |
| N49 | C54 | C56 | H49 | 175.7° | 178.2° |
| N49 | C54 | C56 | H50 | 55.3° | 61.8° |
| C53 | C54 | N49 | C50 | 55.7° | 58.1° |
| C54 | C53 | O52 | H46 | 119.8° | 120.0° |
| C54 | C53 | O52 | H47 | 119.8° | 120.0° |
| C54 | C53 | O52 | C51 | 60.4° | 58.7° |
| C54 | C53 | H46 | H47 | 120.6° | 120.1° |
| C53 | C54 | C56 | H49 | 54.1° | 62.1° |
| C53 | C54 | C56 | H50 | 66.3° | 57.8° |
| N49 | C50 | C51 | H42 | 120.2° | 119.9° |
| N49 | C50 | C51 | H43 | 120.2° | 119.9° |
| N49 | C50 | C51 | O52 | 54.3° | 57.0° |
| C50 | N49 | C48 | H39 | 62.6° | 57.3° |
| C50 | N49 | C48 | H40 | 56.7° | 62.6° |
| N49 | C50 | H42 | H43 | 119.5° | 120.0° |
| N49 | C50 | C51 | H44 | 65.6° | 62.9° |
| N49 | C50 | C51 | H45 | 174.3° | 176.9° |
| C50 | N49 | C54 | H48 | 64.5° | 62.2° |
| C50 | C51 | O52 | C53 | 59.6° | 58.9° |
| C50 | C51 | O52 | H44 | 120.0° | 119.9° |
| C50 | C51 | O52 | H45 | 120.0° | 120.0° |
| C51 | C50 | H42 | H43 | 119.5° | 120.1° |
| C50 | C51 | H44 | H45 | 120.0° | 120.2° |
| C53 | O52 | C51 | H44 | 60.4° | 61.0° |
| C53 | O52 | C51 | H45 | 179.6° | 178.9° |
| O52 | C53 | H46 | H47 | 120.6° | 120.0° |
| O52 | C53 | C54 | H48 | 63.6° | 63.6° |
| O52 | C51 | C50 | H42 | 174.5° | 176.9° |
| O52 | C51 | C50 | H43 | 65.8° | 63.0° |
| O52 | C51 | H44 | H45 | 120.0° | 120.1° |
| C51 | O52 | C53 | H46 | 179.8° | 61.3° |
| C51 | O52 | C53 | H47 | 59.4° | 178.7° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C6 | H5 | H6 | 119.9° | 119.9° |
| H8 | C18 | C19 | H9 | 0.9° | 3.7° |
| H10 | C24 | C25 | H28 | 53.1° | 67.1° |
| H10 | C24 | C25 | H29 | 67.4° | 53.4° |
| H11 | C24 | C25 | H28 | 66.0° | 174.5° |
| H11 | C24 | C25 | H29 | 173.5° | 64.9° |
| H12 | C31 | C32 | H13 | 0.1° | 0.3° |
| H16 | C36 | C37 | H18 | 67.5° | 42.3° |
| H17 | C36 | C37 | H18 | 176.6° | 73.5° |
| H18 | C37 | C39 | H19 | 23.5° | 146.9° |
| H18 | C37 | C39 | H20 | 144.9° | 23.5° |
| H18 | C37 | C42 | H33 | 141.9° | 137.0° |
| H19 | C39 | C40 | H21 | 101.5° | 27.7° |
| H19 | C39 | C40 | H22 | 19.2° | 149.1° |
| H20 | C39 | C40 | H21 | 19.9° | 95.4° |
| H20 | C39 | C40 | H22 | 140.6° | 26.0° |
| H28 | C25 | C26 | H30 | 55.1° | 177.6° |
| H28 | C25 | C26 | H31 | 64.8° | 56.9° |
| H29 | C25 | C26 | H30 | 175.6° | 57.5° |
| H29 | C25 | C26 | H31 | 55.7° | 63.2° |
| H37 | C47 | C48 | H39 | 50.2° | 58.6° |
| H37 | C47 | C48 | H40 | 169.6° | 178.6° |
| H38 | C47 | C48 | H39 | 68.9° | 61.6° |
| H38 | C47 | C48 | H40 | 50.4° | 58.4° |
| H42 | C50 | C51 | H44 | 54.5° | 57.0° |
| H42 | C50 | C51 | H45 | 65.5° | 63.2° |
| H43 | C50 | C51 | H44 | 174.2° | 177.1° |
| H43 | C50 | C51 | H45 | 54.2° | 57.0° |
| H46 | C53 | C54 | H48 | 56.2° | 176.4° |
| H47 | C53 | C54 | H48 | 176.6° | 56.4° |
| H48 | C54 | C56 | H49 | 64.6° | 58.2° |
| H48 | C54 | C56 | H50 | 174.9° | 178.1° |
| H51 | C58 | H52 | H53 | 120.0° | 120.0° |
| H54 | C61 | C62 | H55 | 168.5° | 19.8° |
| H54 | C61 | C62 | H56 | 72.0° | 98.6° |
| H55 | C62 | C63 | H57 | 80.9° | 127.1° |
| H56 | C62 | C63 | H57 | 159.6° | 114.4° |
| H57 | C63 | C65 | H58 | 60.7° | 61.0° |
| H57 | C63 | C65 | H59 | 179.3° | 59.1° |
| H57 | C63 | C65 | H60 | 59.3° | 179.0° |
| H57 | C63 | C66 | H61 | 83.3° | 157.4° |
| H57 | C63 | C66 | H62 | 157.5° | 82.3° |
| H58 | C65 | H59 | H60 | 120.0° | 120.0° |
