YKX
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 | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.37Å | Aromatic |
| C28 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.51Å | 1.52Å | |
| C33 | C23 | sing | 1.51Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| O21 | C22 | sing | 1.41Å | 1.44Å | |
| O21 | C20 | sing | 1.34Å | 1.36Å | |
| C23 | C22 | sing | 1.55Å | 1.56Å | |
| C23 | C34 | sing | 1.52Å | 1.51Å | |
| C23 | C24 | sing | 1.52Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C6 | N5 | sing | 1.46Å | 1.46Å | |
| C34 | N35 | sing | 1.49Å | 1.45Å | |
| C20 | C19 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | C56 | sing | 1.46Å | 1.47Å | Aromatic |
| C19 | C18 | sing | 1.36Å | 1.36Å | Aromatic |
| C39 | C40 | sing | 1.54Å | 1.54Å | |
| C39 | C37 | sing | 1.54Å | 1.54Å | |
| N35 | C56 | sing | 1.40Å | 1.36Å | |
| N35 | C36 | sing | 1.48Å | 1.49Å | |
| N5 | C7 | sing | 1.34Å | 1.34Å | Aromatic |
| N5 | N4 | sing | 1.40Å | 1.39Å | Aromatic |
| C56 | C57 | doub | 1.39Å | 1.42Å | Aromatic |
| C18 | C17 | doub | 1.41Å | 1.42Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | O41 | sing | 1.43Å | 1.42Å | |
| C36 | C37 | sing | 1.51Å | 1.55Å | |
| C37 | C42 | sing | 1.54Å | 1.54Å | |
| N4 | C3 | doub | 1.31Å | 1.31Å | Aromatic |
| C57 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C15 | sing | 1.49Å | 1.46Å | |
| C8 | C3 | sing | 1.42Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.47Å | 1.48Å | |
| O41 | C42 | sing | 1.44Å | 1.43Å | |
| C54 | C52 | sing | 1.53Å | 1.53Å | |
| N14 | C15 | sing | 1.33Å | 1.32Å | |
| N14 | S12 | doub | 1.51Å | 1.49Å | |
| N11 | C9 | sing | 1.35Å | 1.34Å | |
| N11 | S12 | sing | 1.65Å | 1.64Å | |
| C3 | O2 | sing | 1.36Å | 1.36Å | |
| C42 | C44 | sing | 1.52Å | 1.53Å | |
| C15 | O16 | doub | 1.22Å | 1.22Å | |
| C9 | O10 | doub | 1.22Å | 1.22Å | |
| C52 | C51 | sing | 1.52Å | 1.53Å | |
| C52 | C55 | sing | 1.54Å | 1.54Å | |
| F49 | C48 | sing | 1.35Å | 1.34Å | |
| S12 | C55 | sing | 1.82Å | 1.83Å | |
| S12 | O13 | doub | 1.41Å | 1.42Å | |
| C48 | C44 | sing | 1.50Å | 1.51Å | |
| C48 | C50 | doub | 1.32Å | 1.31Å | |
| C51 | C50 | sing | 1.50Å | 1.51Å | |
| O2 | C1 | sing | 1.43Å | 1.44Å | |
| C44 | O46 | sing | 1.43Å | 1.43Å | |
| O46 | C47 | sing | 1.43Å | 1.43Å | |
| 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 | 1.10Å | 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 | 1.08Å | 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 | |
| C44 | H34 | sing | 1.10Å | 1.10Å | |
| C47 | H35 | sing | 1.09Å | 1.10Å | |
| C47 | H36 | sing | 1.09Å | 1.10Å | |
| C47 | H37 | sing | 1.09Å | 1.10Å | |
| C50 | H38 | sing | 1.08Å | 1.08Å | |
| C51 | H39 | sing | 1.09Å | 1.10Å | |
| C51 | H40 | sing | 1.09Å | 1.10Å | |
| C52 | H41 | sing | 1.09Å | 1.10Å | |
| C54 | H42 | sing | 1.09Å | 1.10Å | |
| C54 | H43 | sing | 1.09Å | 1.10Å | |
| C54 | H44 | sing | 1.09Å | 1.10Å | |
| C55 | H45 | sing | 1.09Å | 1.10Å | |
| C55 | H46 | sing | 1.09Å | 1.10Å | |
| C57 | H47 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL30 | C29 | C31 | 119.6° | 120.2° |
| CL30 | C29 | C28 | 121.0° | 120.3° |
| C31 | C29 | C28 | 119.4° | 119.5° |
| C29 | C31 | C32 | 120.1° | 120.0° |
| C29 | C31 | H12 | 119.9° | 120.1° |
| C29 | C28 | C27 | 120.8° | 120.4° |
| C29 | C28 | H32 | 119.6° | 119.7° |
| C31 | C32 | C33 | 121.5° | 120.7° |
| C32 | C31 | H12 | 120.0° | 119.9° |
| C31 | C32 | H13 | 119.3° | 119.5° |
| C28 | C27 | C33 | 120.3° | 120.3° |
| C28 | C27 | C26 | 116.7° | 118.1° |
| C27 | C28 | H32 | 119.6° | 119.8° |
| C32 | C33 | C27 | 117.9° | 119.1° |
| C32 | C33 | C23 | 119.9° | 117.4° |
| C33 | C32 | H13 | 119.3° | 119.8° |
| C33 | C27 | C26 | 123.0° | 121.7° |
| C27 | C33 | C23 | 122.2° | 123.5° |
| C27 | C26 | C25 | 112.1° | 109.2° |
| C27 | C26 | H30 | 108.8° | 109.6° |
| C27 | C26 | H31 | 108.8° | 109.4° |
| C33 | C23 | C22 | 109.0° | 105.4° |
| C33 | C23 | C34 | 108.7° | 112.8° |
| C33 | C23 | C24 | 111.4° | 112.7° |
| C26 | C25 | C24 | 108.0° | 108.9° |
| C26 | C25 | H28 | 109.9° | 109.7° |
| C26 | C25 | H29 | 109.8° | 109.2° |
| C25 | C26 | H30 | 108.8° | 109.5° |
| C25 | C26 | H31 | 108.8° | 109.4° |
| C22 | O21 | C20 | 120.1° | 120.1° |
| O21 | C22 | C23 | 111.0° | 106.5° |
| O21 | C22 | H26 | 109.1° | 110.4° |
| O21 | C22 | H27 | 109.1° | 110.5° |
| O21 | C20 | C19 | 117.4° | 115.7° |
| O21 | C20 | C56 | 121.6° | 123.4° |
| C22 | C23 | C34 | 110.3° | 106.3° |
| C22 | C23 | C24 | 108.8° | 107.5° |
| C23 | C22 | H26 | 109.1° | 109.4° |
| C23 | C22 | H27 | 109.1° | 109.3° |
| C34 | C23 | C24 | 108.6° | 111.5° |
| C23 | C34 | N35 | 117.5° | 111.2° |
| C23 | C34 | H14 | 107.4° | 111.2° |
| C23 | C34 | H15 | 107.4° | 109.0° |
| C23 | C24 | C25 | 114.0° | 111.5° |
| C23 | C24 | H10 | 108.3° | 110.0° |
| C23 | C24 | H11 | 108.4° | 108.9° |
| C25 | C24 | H10 | 108.3° | 109.4° |
| C25 | C24 | H11 | 108.3° | 108.8° |
| C24 | C25 | H28 | 109.8° | 110.1° |
| C24 | C25 | H29 | 109.8° | 109.6° |
| C6 | N5 | C7 | 127.5° | 125.7° |
| C6 | N5 | N4 | 124.5° | 125.7° |
| N5 | C6 | H4 | 109.5° | 109.5° |
| N5 | C6 | H5 | 109.5° | 109.5° |
| N5 | C6 | H6 | 109.5° | 109.5° |
| C34 | N35 | C56 | 122.1° | 105.6° |
| C34 | N35 | C36 | 114.9° | 105.6° |
| N35 | C34 | H14 | 107.4° | 109.7° |
| N35 | C34 | H15 | 107.4° | 106.8° |
| C19 | C20 | C56 | 121.0° | 120.7° |
| C20 | C19 | C18 | 121.1° | 120.2° |
| C20 | C19 | H9 | 119.4° | 119.6° |
| C20 | C56 | N35 | 122.1° | 123.0° |
| C20 | C56 | C57 | 115.4° | 116.1° |
| C19 | C18 | C17 | 119.4° | 119.3° |
| C19 | C18 | H8 | 120.3° | 120.3° |
| C18 | C19 | H9 | 119.4° | 120.2° |
| C40 | C39 | C37 | 103.4° | 102.7° |
| C39 | C40 | O41 | 106.3° | 106.0° |
| C40 | C39 | H19 | 111.0° | 109.8° |
| C40 | C39 | H20 | 110.9° | 110.5° |
| C39 | C40 | H21 | 110.3° | 110.0° |
| C39 | C40 | H22 | 110.3° | 109.8° |
| C39 | C37 | C36 | 113.9° | 113.1° |
| C39 | C37 | C42 | 101.7° | 105.3° |
| C39 | C37 | H18 | 110.1° | 107.4° |
| C37 | C39 | H19 | 110.9° | 111.8° |
| C37 | C39 | H20 | 111.0° | 110.8° |
| C56 | N35 | C36 | 122.4° | 108.6° |
| N35 | C56 | C57 | 122.3° | 120.9° |
| N35 | C36 | C37 | 111.1° | 115.0° |
| N35 | C36 | H16 | 109.0° | 111.6° |
| N35 | C36 | H17 | 109.0° | 107.2° |
| C7 | N5 | N4 | 108.0° | 108.7° |
| N5 | C7 | C8 | 108.4° | 107.5° |
| N5 | C7 | H7 | 125.8° | 126.3° |
| N5 | N4 | C3 | 109.6° | 108.8° |
| C56 | C57 | C17 | 121.9° | 120.8° |
| C56 | C57 | H47 | 119.0° | 122.4° |
| C18 | C17 | C57 | 121.0° | 121.1° |
| C18 | C17 | C15 | 122.5° | 120.4° |
| C17 | C18 | H8 | 120.3° | 120.3° |
| C7 | C8 | C3 | 106.3° | 107.1° |
| C7 | C8 | C9 | 128.1° | 126.4° |
| C8 | C7 | H7 | 125.8° | 126.2° |
| C40 | O41 | C42 | 110.8° | 109.8° |
| O41 | C40 | H21 | 110.3° | 110.2° |
| O41 | C40 | H22 | 110.3° | 110.2° |
| C36 | C37 | C42 | 110.7° | 113.0° |
| C37 | C36 | H16 | 109.1° | 107.2° |
| C37 | C36 | H17 | 109.1° | 107.7° |
| C36 | C37 | H18 | 110.0° | 109.1° |
| C37 | C42 | O41 | 107.8° | 107.2° |
| C37 | C42 | C44 | 113.9° | 113.0° |
| C42 | C37 | H18 | 110.1° | 108.8° |
| C37 | C42 | H33 | 107.7° | 109.8° |
| N4 | C3 | C8 | 107.8° | 108.0° |
| N4 | C3 | O2 | 126.1° | 126.0° |
| C57 | C17 | C15 | 116.4° | 118.5° |
| C17 | C57 | H47 | 119.0° | 116.6° |
| C17 | C15 | N14 | 114.4° | 115.7° |
| C17 | C15 | O16 | 121.0° | 121.6° |
| C3 | C8 | C9 | 125.6° | 126.5° |
| C8 | C3 | O2 | 126.1° | 126.0° |
| C8 | C9 | N11 | 119.6° | 120.0° |
| C8 | C9 | O10 | 120.6° | 120.0° |
| O41 | C42 | C44 | 110.4° | 107.7° |
| O41 | C42 | H33 | 109.1° | 108.6° |
| C54 | C52 | C51 | 110.0° | 109.1° |
| C54 | C52 | C55 | 109.5° | 109.3° |
| C54 | C52 | H41 | 109.2° | 109.5° |
| C52 | C54 | H42 | 109.5° | 109.4° |
| C52 | C54 | H43 | 109.5° | 109.4° |
| C52 | C54 | H44 | 109.5° | 109.5° |
| C15 | N14 | S12 | 124.0° | 117.7° |
| N14 | C15 | O16 | 124.5° | 122.7° |
| N14 | S12 | N11 | 104.2° | 108.8° |
| N14 | S12 | C55 | 108.9° | 106.3° |
| N14 | S12 | O13 | 112.0° | 108.5° |
| C9 | N11 | S12 | 122.1° | 120.0° |
| N11 | C9 | O10 | 119.8° | 120.0° |
| C9 | N11 | H23 | 119.0° | 120.0° |
| N11 | S12 | C55 | 109.1° | 108.2° |
| N11 | S12 | O13 | 108.2° | 109.2° |
| S12 | N11 | H23 | 119.0° | 120.0° |
| C3 | O2 | C1 | 117.5° | 117.0° |
| C42 | C44 | C48 | 111.5° | 115.4° |
| C42 | C44 | O46 | 111.6° | 108.7° |
| C44 | C42 | H33 | 107.9° | 110.4° |
| C42 | C44 | H34 | 108.7° | 108.1° |
| C51 | C52 | C55 | 109.8° | 109.8° |
| C52 | C51 | C50 | 110.1° | 111.1° |
| C52 | C51 | H39 | 109.3° | 109.2° |
| C52 | C51 | H40 | 109.3° | 109.0° |
| C51 | C52 | H41 | 109.2° | 109.3° |
| C52 | C55 | S12 | 113.1° | 108.2° |
| C55 | C52 | H41 | 109.1° | 109.8° |
| C52 | C55 | H45 | 108.6° | 109.8° |
| C52 | C55 | H46 | 108.6° | 109.8° |
| F49 | C48 | C44 | 118.8° | 121.2° |
| F49 | C48 | C50 | 119.2° | 119.6° |
| C55 | S12 | O13 | 113.9° | 115.6° |
| S12 | C55 | H45 | 108.6° | 109.7° |
| S12 | C55 | H46 | 108.6° | 109.6° |
| C44 | C48 | C50 | 122.0° | 119.1° |
| C48 | C44 | O46 | 106.2° | 108.5° |
| C48 | C44 | H34 | 108.8° | 108.2° |
| C48 | C50 | C51 | 121.7° | 121.5° |
| C48 | C50 | H38 | 119.2° | 119.0° |
| C51 | C50 | H38 | 119.2° | 119.5° |
| C50 | C51 | H39 | 109.3° | 109.2° |
| C50 | C51 | H40 | 109.3° | 109.1° |
| O2 | C1 | H1 | 109.5° | 109.5° |
| O2 | C1 | H2 | 109.5° | 109.5° |
| O2 | C1 | H3 | 109.5° | 109.4° |
| C44 | O46 | C47 | 118.1° | 114.0° |
| O46 | C44 | H34 | 110.0° | 107.7° |
| O46 | C47 | H35 | 109.5° | 109.4° |
| O46 | C47 | H36 | 109.5° | 109.4° |
| O46 | C47 | H37 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H6 | 109.4° | 109.4° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.4° | 108.0° |
| H14 | C34 | H15 | 109.5° | 108.8° |
| H16 | C36 | H17 | 109.5° | 108.0° |
| H19 | C39 | H20 | 109.5° | 111.0° |
| H21 | C40 | H22 | 109.5° | 110.6° |
| H26 | C22 | H27 | 109.5° | 110.6° |
| H28 | C25 | H29 | 109.5° | 109.4° |
| H30 | C26 | H31 | 109.5° | 109.7° |
| H35 | C47 | H36 | 109.5° | 109.5° |
| H35 | C47 | H37 | 109.5° | 109.5° |
| H36 | C47 | H37 | 109.5° | 109.5° |
| H39 | C51 | H40 | 109.5° | 109.0° |
| H42 | C54 | H43 | 109.5° | 109.5° |
| H42 | C54 | H44 | 109.4° | 109.5° |
| H43 | C54 | H44 | 109.5° | 109.5° |
| H45 | C55 | H46 | 109.4° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL30 | C29 | C31 | C28 | 179.8° | 179.9° |
| CL30 | C29 | C31 | C32 | 179.6° | 179.7° |
| CL30 | C29 | C28 | C27 | 179.9° | 179.9° |
| CL30 | C29 | C31 | H12 | 0.4° | 0.4° |
| CL30 | C29 | C28 | H32 | 0.0° | 0.2° |
| C29 | C31 | C32 | H12 | 180.0° | 179.9° |
| C31 | C29 | C28 | C27 | 0.2° | 0.0° |
| C29 | C31 | C32 | C33 | 0.9° | 0.0° |
| C29 | C31 | C32 | H13 | 179.0° | 179.8° |
| C31 | C29 | C28 | H32 | 179.8° | 179.8° |
| C28 | C29 | C31 | C32 | 0.2° | 0.2° |
| C29 | C28 | C27 | H32 | 180.0° | 179.8° |
| C29 | C28 | C27 | C33 | 0.0° | 0.3° |
| C29 | C28 | C27 | C26 | 179.0° | 179.6° |
| C28 | C29 | C31 | H12 | 179.8° | 179.7° |
| C31 | C32 | C33 | H13 | 180.0° | 179.8° |
| C31 | C32 | C33 | C27 | 1.1° | 0.3° |
| C31 | C32 | C33 | C23 | 179.2° | 179.5° |
| C28 | C27 | C33 | C32 | 0.6° | 0.5° |
| C28 | C27 | C33 | C26 | 179.0° | 179.9° |
| C28 | C27 | C33 | C23 | 179.7° | 179.3° |
| C28 | C27 | C26 | C25 | 159.0° | 154.2° |
| C28 | C27 | C26 | H30 | 80.6° | 85.9° |
| C28 | C27 | C26 | H31 | 38.6° | 34.4° |
| C32 | C33 | C27 | C23 | 179.7° | 179.8° |
| C32 | C33 | C27 | C26 | 179.7° | 179.4° |
| C32 | C33 | C23 | C22 | 50.1° | 58.2° |
| C32 | C33 | C23 | C34 | 70.2° | 57.4° |
| C32 | C33 | C23 | C24 | 170.1° | 175.2° |
| C33 | C32 | C31 | H12 | 179.1° | 179.9° |
| C33 | C27 | C26 | C25 | 22.0° | 25.8° |
| C27 | C33 | C23 | C22 | 130.3° | 121.6° |
| C27 | C33 | C23 | C34 | 109.5° | 122.8° |
| C27 | C33 | C23 | C24 | 10.2° | 4.6° |
| C27 | C33 | C32 | H13 | 178.9° | 179.5° |
| C33 | C27 | C26 | H30 | 98.4° | 94.2° |
| C33 | C27 | C26 | H31 | 142.3° | 145.5° |
| C33 | C27 | C28 | H32 | 180.0° | 179.8° |
| C26 | C27 | C33 | C23 | 0.7° | 0.7° |
| C27 | C26 | C25 | H30 | 120.4° | 120.0° |
| C27 | C26 | C25 | H31 | 120.4° | 119.7° |
| C27 | C26 | C25 | C24 | 50.1° | 56.8° |
| C27 | C26 | C25 | H28 | 169.9° | 63.7° |
| C27 | C26 | C25 | H29 | 69.6° | 176.4° |
| C27 | C26 | H30 | H31 | 118.8° | 120.2° |
| C26 | C27 | C28 | H32 | 0.9° | 0.2° |
| C33 | C23 | C22 | O21 | 86.2° | 170.7° |
| C33 | C23 | C22 | C34 | 119.3° | 120.0° |
| C33 | C23 | C22 | C24 | 121.7° | 120.4° |
| C33 | C23 | C34 | C24 | 121.4° | 128.0° |
| C33 | C23 | C24 | C25 | 41.6° | 36.8° |
| C33 | C23 | C34 | N35 | 168.0° | 152.3° |
| C33 | C23 | C24 | H10 | 162.3° | 158.4° |
| C33 | C23 | C24 | H11 | 79.1° | 83.4° |
| C23 | C33 | C32 | H13 | 0.8° | 0.7° |
| C33 | C23 | C34 | H14 | 70.8° | 29.7° |
| C33 | C23 | C34 | H15 | 46.9° | 90.2° |
| C33 | C23 | C22 | H26 | 153.6° | 70.0° |
| C33 | C23 | C22 | H27 | 34.0° | 51.3° |
| C26 | C25 | C24 | C23 | 62.8° | 64.4° |
| C26 | C25 | C24 | H28 | 119.8° | 120.3° |
| C26 | C25 | C24 | H29 | 119.8° | 119.4° |
| C26 | C25 | C24 | H10 | 176.5° | 173.7° |
| C26 | C25 | C24 | H11 | 57.9° | 55.8° |
| C26 | C25 | H28 | H29 | 120.7° | 119.8° |
| C25 | C26 | H30 | H31 | 118.8° | 120.1° |
| O21 | C22 | C23 | H26 | 120.2° | 119.3° |
| O21 | C22 | C23 | H27 | 120.2° | 119.4° |
| O21 | C22 | C23 | C34 | 33.1° | 69.3° |
| O21 | C22 | C23 | C24 | 152.1° | 50.3° |
| C22 | O21 | C20 | C19 | 132.8° | 112.1° |
| C22 | O21 | C20 | C56 | 46.6° | 72.7° |
| O21 | C22 | H26 | H27 | 119.3° | 122.7° |
| C20 | O21 | C22 | C23 | 88.1° | 75.3° |
| O21 | C20 | C19 | C56 | 179.5° | 175.3° |
| O21 | C20 | C19 | C18 | 178.8° | 168.7° |
| O21 | C20 | C56 | N35 | 4.5° | 19.3° |
| O21 | C20 | C56 | C57 | 179.9° | 161.0° |
| O21 | C20 | C19 | H9 | 1.2° | 13.3° |
| C20 | O21 | C22 | H26 | 32.1° | 43.3° |
| C20 | O21 | C22 | H27 | 151.6° | 166.1° |
| C22 | C23 | C34 | C24 | 119.1° | 117.0° |
| C22 | C23 | C24 | C25 | 161.7° | 152.5° |
| C22 | C23 | C34 | N35 | 48.6° | 92.7° |
| C22 | C23 | C24 | H10 | 77.6° | 85.9° |
| C22 | C23 | C24 | H11 | 41.1° | 32.3° |
| C22 | C23 | C34 | H14 | 169.7° | 144.7° |
| C22 | C23 | C34 | H15 | 72.5° | 24.8° |
| C23 | C22 | H26 | H27 | 119.3° | 120.5° |
| C34 | C23 | C24 | C25 | 78.2° | 91.3° |
| C23 | C34 | N35 | H14 | 121.1° | 123.4° |
| C23 | C34 | N35 | H15 | 121.1° | 118.8° |
| C23 | C34 | N35 | C56 | 77.0° | 90.4° |
| C23 | C34 | N35 | C36 | 111.9° | 154.6° |
| C34 | C23 | C24 | H10 | 42.5° | 30.3° |
| C34 | C23 | C24 | H11 | 161.2° | 148.6° |
| C23 | C34 | H14 | H15 | 116.4° | 120.1° |
| C34 | C23 | C22 | H26 | 87.1° | 50.0° |
| C34 | C23 | C22 | H27 | 153.3° | 171.3° |
| C23 | C24 | C25 | H10 | 120.7° | 121.9° |
| C23 | C24 | C25 | H11 | 120.7° | 120.2° |
| C24 | C23 | C34 | N35 | 70.6° | 24.3° |
| C23 | C24 | H10 | H11 | 118.0° | 118.8° |
| C24 | C23 | C34 | H14 | 50.6° | 98.3° |
| C24 | C23 | C34 | H15 | 168.3° | 141.7° |
| C24 | C23 | C22 | H26 | 31.9° | 169.6° |
| C24 | C23 | C22 | H27 | 87.6° | 69.1° |
| C23 | C24 | C25 | H28 | 177.4° | 55.9° |
| C23 | C24 | C25 | H29 | 57.0° | 176.2° |
| C25 | C24 | H10 | H11 | 117.9° | 118.4° |
| C24 | C25 | H28 | H29 | 120.7° | 120.4° |
| C24 | C25 | C26 | H30 | 70.2° | 63.2° |
| C24 | C25 | C26 | H31 | 170.5° | 176.5° |
| C6 | N5 | C7 | N4 | 179.8° | 180.0° |
| C6 | N5 | C7 | C8 | 179.7° | 180.0° |
| C6 | N5 | N4 | C3 | 179.7° | 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 | 0.4° | 0.1° |
| C34 | N35 | C56 | C20 | 20.8° | 43.7° |
| C34 | N35 | C56 | C36 | 170.4° | 112.8° |
| C34 | N35 | C56 | C57 | 154.5° | 136.1° |
| C34 | N35 | C36 | C37 | 89.5° | 93.9° |
| N35 | C34 | H14 | H15 | 116.3° | 116.5° |
| C34 | N35 | C36 | H16 | 150.3° | 143.8° |
| C34 | N35 | C36 | H17 | 30.8° | 25.8° |
| C20 | C19 | C18 | H9 | 180.0° | 177.9° |
| C19 | C20 | C56 | N35 | 176.1° | 165.8° |
| C19 | C20 | C56 | C57 | 0.5° | 14.0° |
| C20 | C19 | C18 | C17 | 0.2° | 5.8° |
| C20 | C19 | C18 | H8 | 179.9° | 175.5° |
| C56 | C20 | C19 | C18 | 0.6° | 6.6° |
| C20 | C56 | N35 | C57 | 175.3° | 179.8° |
| C20 | C56 | N35 | C36 | 168.8° | 156.5° |
| C20 | C56 | C57 | C17 | 2.1° | 9.2° |
| C56 | C20 | C19 | H9 | 179.4° | 171.3° |
| C20 | C56 | C57 | H47 | 177.9° | 166.4° |
| C19 | C18 | C17 | H8 | 180.0° | 178.8° |
| C19 | C18 | C17 | C57 | 1.5° | 10.7° |
| C19 | C18 | C17 | C15 | 177.5° | 170.1° |
| C40 | C39 | C37 | H19 | 119.0° | 117.6° |
| C40 | C39 | C37 | H20 | 119.0° | 118.0° |
| C39 | C40 | O41 | H21 | 119.5° | 118.9° |
| C39 | C40 | O41 | H22 | 119.5° | 118.8° |
| C40 | C39 | C37 | C36 | 149.6° | 144.7° |
| C40 | C39 | C37 | C42 | 30.5° | 20.9° |
| C39 | C40 | O41 | C42 | 15.2° | 28.5° |
| C40 | C39 | C37 | H18 | 86.2° | 95.0° |
| C40 | C39 | H19 | H20 | 122.8° | 122.5° |
| C39 | C40 | H21 | H22 | 121.5° | 121.5° |
| C39 | C37 | C36 | N35 | 72.0° | 60.3° |
| C37 | C39 | C40 | O41 | 29.0° | 30.1° |
| C39 | C37 | C36 | C42 | 113.9° | 119.5° |
| C39 | C37 | C36 | H18 | 124.2° | 119.4° |
| C39 | C37 | C42 | H18 | 116.8° | 114.9° |
| C39 | C37 | C42 | O41 | 22.7° | 5.1° |
| C39 | C37 | C42 | C44 | 145.5° | 123.6° |
| C39 | C37 | C36 | H16 | 167.8° | 175.0° |
| C39 | C37 | C36 | H17 | 48.2° | 59.0° |
| C37 | C39 | H19 | H20 | 122.8° | 124.3° |
| C37 | C39 | C40 | H21 | 148.5° | 149.1° |
| C37 | C39 | C40 | H22 | 90.5° | 88.9° |
| C39 | C37 | C42 | H33 | 94.9° | 112.7° |
| C56 | N35 | C36 | C37 | 81.6° | 153.2° |
| N35 | C56 | C57 | C17 | 177.7° | 170.6° |
| C56 | N35 | C34 | H14 | 161.9° | 146.1° |
| C56 | N35 | C34 | H15 | 44.2° | 28.4° |
| C56 | N35 | C36 | H16 | 38.7° | 30.9° |
| C56 | N35 | C36 | H17 | 158.2° | 87.1° |
| N35 | C56 | C57 | H47 | 2.3° | 13.9° |
| C36 | N35 | C56 | C57 | 15.9° | 23.2° |
| N35 | C36 | C37 | H16 | 120.2° | 124.7° |
| N35 | C36 | C37 | H17 | 120.2° | 119.4° |
| N35 | C36 | C37 | C42 | 174.1° | 59.1° |
| C36 | N35 | C34 | H14 | 9.2° | 31.2° |
| C36 | N35 | C34 | H15 | 126.9° | 86.5° |
| N35 | C36 | H16 | H17 | 119.2° | 117.5° |
| N35 | C36 | C37 | H18 | 52.2° | 179.7° |
| N5 | C7 | C8 | H7 | 180.0° | 179.9° |
| C7 | N5 | N4 | C3 | 0.5° | 0.2° |
| N5 | C7 | C8 | C3 | 0.4° | 0.1° |
| N5 | C7 | C8 | C9 | 179.9° | 179.9° |
| C7 | N5 | C6 | H4 | 179.8° | 90.0° |
| C7 | N5 | C6 | H5 | 59.8° | 150.0° |
| C7 | N5 | C6 | H6 | 60.2° | 30.0° |
| N4 | N5 | C7 | C8 | 0.5° | 0.0° |
| N5 | N4 | C3 | C8 | 0.2° | 0.3° |
| N5 | N4 | C3 | O2 | 179.4° | 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 | 179.5° | 179.9° |
| C56 | C57 | C17 | C18 | 2.7° | 2.7° |
| C56 | C57 | C17 | H47 | 180.0° | 175.8° |
| C56 | C57 | C17 | C15 | 178.9° | 178.1° |
| C18 | C17 | C57 | C15 | 176.2° | 179.3° |
| C18 | C17 | C15 | N14 | 46.3° | 178.0° |
| C18 | C17 | C15 | O16 | 136.9° | 0.9° |
| C17 | C18 | C19 | H9 | 179.8° | 176.3° |
| C18 | C17 | C57 | H47 | 177.3° | 178.5° |
| C7 | C8 | C3 | N4 | 0.1° | 0.2° |
| C7 | C8 | C3 | C9 | 179.5° | 180.0° |
| C7 | C8 | C9 | N11 | 17.1° | 0.0° |
| C7 | C8 | C3 | O2 | 179.8° | 180.0° |
| C7 | C8 | C9 | O10 | 164.2° | 179.9° |
| C40 | O41 | C42 | C37 | 5.1° | 14.7° |
| C40 | O41 | C42 | C44 | 130.1° | 107.3° |
| O41 | C40 | C39 | H19 | 148.0° | 88.9° |
| O41 | C40 | C39 | H20 | 90.0° | 148.3° |
| O41 | C40 | H21 | H22 | 121.5° | 122.1° |
| C40 | O41 | C42 | H33 | 111.6° | 133.2° |
| C36 | C37 | C42 | H18 | 121.8° | 121.3° |
| C36 | C37 | C42 | O41 | 144.1° | 129.0° |
| C36 | C37 | C42 | C44 | 93.1° | 112.5° |
| C37 | C36 | H16 | H17 | 119.3° | 115.8° |
| C36 | C37 | C39 | H19 | 91.3° | 27.1° |
| C36 | C37 | C39 | H20 | 30.6° | 97.3° |
| C36 | C37 | C42 | H33 | 26.5° | 11.2° |
| C37 | C42 | O41 | C44 | 125.0° | 121.9° |
| C37 | C42 | O41 | H33 | 116.7° | 118.5° |
| C37 | C42 | C44 | H33 | 119.5° | 123.4° |
| C37 | C42 | C44 | C48 | 67.8° | 41.1° |
| C37 | C42 | C44 | O46 | 173.6° | 81.0° |
| C42 | C37 | C36 | H16 | 53.9° | 65.5° |
| C42 | C37 | C36 | H17 | 65.7° | 178.5° |
| C42 | C37 | C39 | H19 | 149.6° | 96.7° |
| C42 | C37 | C39 | H20 | 88.5° | 138.8° |
| C37 | C42 | C44 | H34 | 52.2° | 162.4° |
| N4 | C3 | C8 | O2 | 179.6° | 179.7° |
| N4 | C3 | C8 | C9 | 179.6° | 179.8° |
| N4 | C3 | O2 | C1 | 0.0° | 0.3° |
| C57 | C17 | C15 | N14 | 129.8° | 2.7° |
| C57 | C17 | C15 | O16 | 46.9° | 178.4° |
| C57 | C17 | C18 | H8 | 178.5° | 170.5° |
| C17 | C15 | N14 | O16 | 176.6° | 178.9° |
| C17 | C15 | N14 | S12 | 177.3° | 177.4° |
| C15 | C17 | C18 | H8 | 2.5° | 8.7° |
| C15 | C17 | C57 | H47 | 1.1° | 2.2° |
| C3 | C8 | C9 | N11 | 163.5° | 180.0° |
| C3 | C8 | C9 | O10 | 15.2° | 0.1° |
| C8 | C3 | O2 | C1 | 179.6° | 180.0° |
| C3 | C8 | C7 | H7 | 179.6° | 180.0° |
| C8 | C9 | N11 | O10 | 178.7° | 179.9° |
| C8 | C9 | N11 | S12 | 179.5° | 174.6° |
| C9 | C8 | C3 | O2 | 0.7° | 0.0° |
| C9 | C8 | C7 | H7 | 0.1° | 0.0° |
| C8 | C9 | N11 | H23 | 0.5° | 5.3° |
| O41 | C42 | C44 | H33 | 119.1° | 118.4° |
| O41 | C42 | C44 | C48 | 53.6° | 159.3° |
| O41 | C42 | C44 | O46 | 65.0° | 37.2° |
| O41 | C42 | C37 | H18 | 94.1° | 109.8° |
| C42 | O41 | C40 | H21 | 134.7° | 147.5° |
| C42 | O41 | C40 | H22 | 104.3° | 90.2° |
| O41 | C42 | C44 | H34 | 173.6° | 79.4° |
| C54 | C52 | C51 | C55 | 120.5° | 119.8° |
| C54 | C52 | C51 | H41 | 119.8° | 119.7° |
| C54 | C52 | C55 | H41 | 119.5° | 120.2° |
| C54 | C52 | C55 | S12 | 84.7° | 85.5° |
| C54 | C52 | C51 | C50 | 155.5° | 121.1° |
| C54 | C52 | C51 | H39 | 35.4° | 118.2° |
| C54 | C52 | C51 | H40 | 84.4° | 0.8° |
| C52 | C54 | H42 | H43 | 120.0° | 120.0° |
| C52 | C54 | H42 | H44 | 120.0° | 120.0° |
| C52 | C54 | H43 | H44 | 120.0° | 120.0° |
| C54 | C52 | C55 | H45 | 154.7° | 34.2° |
| C54 | C52 | C55 | H46 | 35.8° | 154.9° |
| C15 | N14 | S12 | N11 | 176.1° | 65.9° |
| C15 | N14 | S12 | C55 | 59.7° | 177.8° |
| C15 | N14 | S12 | O13 | 67.2° | 52.9° |
| N14 | S12 | N11 | C9 | 176.4° | 170.7° |
| N14 | S12 | N11 | C55 | 116.2° | 115.1° |
| N14 | S12 | N11 | O13 | 119.4° | 118.3° |
| S12 | N14 | C15 | O16 | 0.7° | 1.5° |
| N14 | S12 | C55 | C52 | 41.9° | 25.7° |
| N14 | S12 | C55 | O13 | 125.8° | 120.4° |
| N14 | S12 | N11 | H23 | 3.6° | 9.3° |
| N14 | S12 | C55 | H45 | 78.6° | 145.5° |
| N14 | S12 | C55 | H46 | 162.5° | 94.0° |
| C9 | N11 | S12 | H23 | 180.0° | 179.9° |
| C9 | N11 | S12 | C55 | 60.2° | 55.6° |
| C9 | N11 | S12 | O13 | 64.3° | 71.1° |
| S12 | N11 | C9 | O10 | 1.8° | 5.3° |
| N11 | S12 | C55 | C52 | 71.2° | 91.0° |
| N11 | S12 | C55 | O13 | 121.0° | 122.9° |
| N11 | S12 | C55 | H45 | 168.3° | 28.7° |
| N11 | S12 | C55 | H46 | 49.4° | 149.3° |
| C3 | O2 | C1 | H1 | 180.0° | 179.9° |
| C3 | O2 | C1 | H2 | 60.0° | 60.0° |
| C3 | O2 | C1 | H3 | 60.0° | 60.0° |
| C42 | C44 | C48 | F49 | 53.0° | 63.4° |
| C42 | C44 | C48 | O46 | 121.8° | 122.2° |
| C42 | C44 | C48 | H34 | 119.9° | 121.2° |
| C42 | C44 | C48 | C50 | 127.3° | 117.3° |
| C42 | C44 | O46 | H34 | 120.7° | 116.9° |
| C42 | C44 | O46 | C47 | 71.5° | 150.0° |
| C44 | C42 | C37 | H18 | 28.7° | 8.8° |
| O10 | C9 | N11 | H23 | 178.2° | 174.8° |
| C51 | C52 | C55 | H41 | 119.7° | 120.1° |
| C51 | C52 | C55 | S12 | 154.5° | 154.8° |
| C52 | C51 | C50 | C48 | 137.5° | 78.8° |
| C52 | C51 | C50 | H39 | 120.1° | 120.6° |
| C52 | C51 | C50 | H40 | 120.1° | 120.3° |
| C52 | C51 | C50 | H38 | 42.5° | 103.3° |
| C52 | C51 | H39 | H40 | 119.7° | 119.0° |
| C51 | C52 | C54 | H42 | 180.0° | 60.0° |
| C51 | C52 | C54 | H43 | 60.0° | 179.9° |
| C51 | C52 | C54 | H44 | 60.0° | 59.9° |
| C51 | C52 | C55 | H45 | 33.9° | 85.5° |
| C51 | C52 | C55 | H46 | 85.0° | 35.2° |
| C52 | C55 | S12 | H45 | 120.5° | 119.7° |
| C52 | C55 | S12 | H46 | 120.6° | 119.7° |
| C52 | C55 | S12 | O13 | 167.8° | 146.1° |
| C55 | C52 | C51 | C50 | 83.9° | 119.0° |
| C55 | C52 | C51 | H39 | 155.9° | 1.6° |
| C55 | C52 | C51 | H40 | 36.1° | 120.6° |
| C55 | C52 | C54 | H42 | 59.3° | 179.9° |
| C55 | C52 | C54 | H43 | 60.7° | 59.9° |
| C55 | C52 | C54 | H44 | 179.3° | 60.1° |
| C52 | C55 | H45 | H46 | 118.3° | 120.8° |
| F49 | C48 | C44 | C50 | 179.7° | 179.2° |
| F49 | C48 | C50 | C51 | 0.7° | 3.5° |
| F49 | C48 | C44 | O46 | 68.8° | 58.8° |
| F49 | C48 | C44 | H34 | 172.9° | 175.4° |
| F49 | C48 | C50 | H38 | 179.3° | 178.6° |
| C55 | S12 | N11 | H23 | 119.8° | 124.3° |
| S12 | C55 | C52 | H41 | 34.8° | 34.7° |
| S12 | C55 | H45 | H46 | 118.3° | 120.5° |
| O13 | S12 | N11 | H23 | 115.7° | 109.0° |
| O13 | S12 | C55 | H45 | 47.2° | 94.1° |
| O13 | S12 | C55 | H46 | 71.7° | 26.4° |
| C44 | C48 | C50 | C51 | 179.0° | 175.7° |
| C48 | C44 | O46 | H34 | 117.6° | 116.9° |
| C48 | C44 | O46 | C47 | 166.8° | 83.8° |
| C48 | C44 | C42 | H33 | 172.7° | 82.2° |
| C44 | C48 | C50 | H38 | 1.0° | 2.1° |
| C48 | C50 | C51 | H38 | 180.0° | 177.8° |
| C50 | C48 | C44 | O46 | 110.9° | 120.4° |
| C50 | C48 | C44 | H34 | 7.4° | 3.8° |
| C48 | C50 | C51 | H39 | 17.4° | 160.6° |
| C48 | C50 | C51 | H40 | 102.4° | 41.5° |
| C50 | C51 | H39 | H40 | 119.7° | 119.2° |
| C50 | C51 | C52 | H41 | 35.7° | 1.4° |
| O2 | C1 | H1 | H2 | 120.0° | 120.0° |
| O2 | C1 | H1 | H3 | 120.0° | 119.9° |
| O2 | C1 | H2 | H3 | 120.0° | 120.0° |
| O46 | C44 | C42 | H33 | 54.1° | 155.7° |
| C44 | O46 | C47 | H35 | 180.0° | 60.0° |
| C44 | O46 | C47 | H36 | 60.0° | 60.0° |
| C44 | O46 | C47 | H37 | 60.0° | 180.0° |
| C47 | O46 | C44 | H34 | 49.2° | 33.1° |
| O46 | C47 | H35 | H36 | 120.0° | 119.9° |
| O46 | C47 | H35 | H37 | 120.0° | 120.0° |
| O46 | C47 | H36 | H37 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 119.9° | 120.0° |
| H4 | C6 | H5 | H6 | 120.0° | 119.9° |
| H8 | C18 | C19 | H9 | 0.1° | 2.5° |
| H10 | C24 | C25 | H28 | 56.7° | 66.1° |
| H10 | C24 | C25 | H29 | 63.7° | 54.3° |
| H11 | C24 | C25 | H28 | 61.9° | 176.1° |
| H11 | C24 | C25 | H29 | 177.7° | 63.6° |
| H12 | C31 | C32 | H13 | 0.9° | 0.1° |
| H16 | C36 | C37 | H18 | 68.0° | 55.6° |
| H17 | C36 | C37 | H18 | 172.4° | 60.3° |
| H18 | C37 | C39 | H19 | 32.8° | 147.4° |
| H18 | C37 | C39 | H20 | 154.8° | 23.0° |
| H18 | C37 | C42 | H33 | 148.4° | 132.5° |
| H19 | C39 | C40 | H21 | 92.5° | 30.1° |
| H19 | C39 | C40 | H22 | 28.5° | 152.1° |
| H20 | C39 | C40 | H21 | 29.5° | 92.7° |
| H20 | C39 | C40 | H22 | 150.5° | 29.3° |
| H28 | C25 | C26 | H30 | 49.5° | 176.3° |
| H28 | C25 | C26 | H31 | 69.7° | 56.0° |
| H29 | C25 | C26 | H30 | 170.0° | 56.4° |
| H29 | C25 | C26 | H31 | 50.8° | 63.9° |
| H33 | C42 | C44 | H34 | 67.3° | 39.0° |
| H35 | C47 | H36 | H37 | 120.0° | 120.0° |
| H38 | C50 | C51 | H39 | 162.6° | 17.3° |
| H38 | C50 | C51 | H40 | 77.6° | 136.4° |
| H39 | C51 | C52 | H41 | 84.4° | 122.0° |
| H40 | C51 | C52 | H41 | 155.8° | 118.9° |
| H41 | C52 | C54 | H42 | 60.1° | 59.5° |
| H41 | C52 | C54 | H43 | 179.8° | 60.5° |
| H41 | C52 | C54 | H44 | 59.8° | 179.5° |
| H41 | C52 | C55 | H45 | 85.8° | 154.3° |
| H41 | C52 | C55 | H46 | 155.3° | 84.9° |
| H42 | C54 | H43 | H44 | 120.0° | 120.1° |
