9LF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | C24 | sing | 1.41Å | 1.41Å | |
| C24 | C22 | sing | 1.55Å | 1.55Å | |
| O32 | C31 | doub | 1.19Å | 1.19Å | |
| C22 | O23 | doub | 1.18Å | 1.18Å | |
| C22 | O21 | sing | 1.45Å | 1.45Å | |
| N30 | C31 | sing | 1.47Å | 1.47Å | |
| N30 | C18 | sing | 1.46Å | 1.46Å | |
| C31 | C33 | sing | 1.56Å | 1.56Å | |
| C19 | C18 | doub | 1.42Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.41Å | 1.41Å | Aromatic |
| C18 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| O21 | C20 | sing | 1.43Å | 1.43Å | |
| C20 | C26 | doub | 1.45Å | 1.45Å | Aromatic |
| C34 | C33 | sing | 1.51Å | 1.51Å | |
| C33 | C35 | doub | 1.35Å | 1.35Å | |
| C16 | O17 | sing | 1.42Å | 1.42Å | |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.42Å | 1.42Å | Aromatic |
| O29 | C28 | doub | 1.18Å | 1.18Å | |
| C35 | C36 | sing | 1.58Å | 1.58Å | |
| C15 | C13 | sing | 1.43Å | 1.43Å | Aromatic |
| C27 | C28 | sing | 1.43Å | 1.43Å | |
| C27 | C10 | doub | 1.43Å | 1.43Å | Aromatic |
| C01 | O02 | sing | 1.40Å | 1.40Å | |
| C28 | C07 | sing | 1.42Å | 1.42Å | |
| C36 | C37 | doub | 1.36Å | 1.36Å | |
| C13 | O14 | sing | 1.41Å | 1.41Å | |
| C13 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C37 | C38 | sing | 1.54Å | 1.54Å | |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | O09 | sing | 1.55Å | 1.55Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | sing | 1.49Å | 1.49Å | |
| C07 | O09 | sing | 1.48Å | 1.48Å | |
| C07 | O06 | sing | 1.45Å | 1.45Å | |
| O02 | C03 | sing | 1.41Å | 1.41Å | |
| C38 | C40 | sing | 1.55Å | 1.55Å | |
| C04 | C03 | sing | 1.55Å | 1.55Å | |
| C04 | C05 | doub | 1.37Å | 1.37Å | |
| C03 | C53 | sing | 1.54Å | 1.54Å | |
| O06 | C05 | sing | 1.43Å | 1.43Å | |
| O52 | C50 | doub | 1.19Å | 1.19Å | |
| C40 | O41 | sing | 1.38Å | 1.38Å | |
| C40 | C42 | sing | 1.53Å | 1.53Å | |
| C53 | C48 | sing | 1.54Å | 1.54Å | |
| C53 | C54 | sing | 1.54Å | 1.54Å | |
| C48 | C46 | sing | 1.56Å | 1.56Å | |
| C48 | O49 | sing | 1.41Å | 1.41Å | |
| C44 | C42 | sing | 1.54Å | 1.54Å | |
| C44 | C46 | sing | 1.55Å | 1.55Å | |
| C44 | O45 | sing | 1.39Å | 1.39Å | |
| C42 | C43 | sing | 1.51Å | 1.51Å | |
| C46 | C47 | sing | 1.54Å | 1.54Å | |
| C50 | O49 | sing | 1.43Å | 1.43Å | |
| C50 | C51 | sing | 1.53Å | 1.53Å | |
| C01 | H1 | sing | 1.10Å | 1.10Å | |
| C01 | H2 | sing | 1.10Å | 1.10Å | |
| C01 | H3 | sing | 1.10Å | 1.10Å | |
| C03 | H4 | sing | 1.10Å | 1.10Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.10Å | 1.10Å | |
| C08 | H8 | sing | 1.10Å | 1.10Å | |
| C08 | H9 | sing | 1.10Å | 1.10Å | |
| C12 | H10 | sing | 1.10Å | 1.10Å | |
| C12 | H11 | sing | 1.10Å | 1.10Å | |
| C12 | H12 | sing | 1.10Å | 1.10Å | |
| O14 | H13 | sing | 0.95Å | 0.95Å | |
| O17 | H14 | sing | 0.95Å | 0.95Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.10Å | 1.10Å | |
| C24 | H17 | sing | 1.10Å | 1.10Å | |
| O25 | H18 | sing | 0.95Å | 0.95Å | |
| N30 | H19 | sing | 1.00Å | 1.00Å | |
| C34 | H20 | sing | 1.10Å | 1.10Å | |
| C34 | H21 | sing | 1.10Å | 1.10Å | |
| C34 | H22 | sing | 1.10Å | 1.10Å | |
| C35 | H23 | sing | 1.08Å | 1.08Å | |
| C36 | H24 | sing | 1.08Å | 1.08Å | |
| C37 | H25 | sing | 1.08Å | 1.08Å | |
| C38 | H26 | sing | 1.10Å | 1.10Å | |
| C39 | H27 | sing | 1.10Å | 1.10Å | |
| C39 | H28 | sing | 1.10Å | 1.10Å | |
| C39 | H29 | sing | 1.10Å | 1.10Å | |
| C40 | H30 | sing | 1.10Å | 1.10Å | |
| O41 | H31 | sing | 0.95Å | 0.95Å | |
| C42 | H32 | sing | 1.10Å | 1.10Å | |
| C43 | H33 | sing | 1.10Å | 1.10Å | |
| C43 | H34 | sing | 1.10Å | 1.10Å | |
| C43 | H35 | sing | 1.10Å | 1.10Å | |
| C44 | H36 | sing | 1.10Å | 1.10Å | |
| O45 | H37 | sing | 0.95Å | 0.95Å | |
| C46 | H38 | sing | 1.10Å | 1.10Å | |
| C47 | H39 | sing | 1.10Å | 1.10Å | |
| C47 | H40 | sing | 1.10Å | 1.10Å | |
| C47 | H41 | sing | 1.10Å | 1.10Å | |
| C48 | H42 | sing | 1.10Å | 1.10Å | |
| C51 | H43 | sing | 1.10Å | 1.10Å | |
| C51 | H44 | sing | 1.10Å | 1.10Å | |
| C51 | H45 | sing | 1.10Å | 1.10Å | |
| C53 | H46 | sing | 1.10Å | 1.10Å | |
| C54 | H47 | sing | 1.10Å | 1.10Å | |
| C54 | H48 | sing | 1.10Å | 1.10Å | |
| C54 | H49 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | C24 | C22 | 108.0° | 108.0° |
| O25 | C24 | H16 | 109.9° | 109.9° |
| O25 | C24 | H17 | 109.8° | 109.8° |
| C24 | O25 | H18 | 109.5° | 109.5° |
| C24 | C22 | O23 | 115.2° | 115.2° |
| C24 | C22 | O21 | 122.8° | 122.8° |
| C22 | C24 | H16 | 109.8° | 109.8° |
| C22 | C24 | H17 | 109.9° | 109.9° |
| O32 | C31 | N30 | 116.3° | 116.3° |
| O32 | C31 | C33 | 119.3° | 119.3° |
| O23 | C22 | O21 | 121.9° | 121.9° |
| C22 | O21 | C20 | 117.1° | 117.1° |
| C31 | N30 | C18 | 125.2° | 125.2° |
| N30 | C31 | C33 | 124.3° | 124.3° |
| C31 | N30 | H19 | 117.4° | 117.4° |
| N30 | C18 | C19 | 126.1° | 126.1° |
| N30 | C18 | C16 | 112.9° | 112.9° |
| C18 | N30 | H19 | 117.4° | 117.4° |
| C31 | C33 | C34 | 115.7° | 115.7° |
| C31 | C33 | C35 | 125.5° | 125.5° |
| C18 | C19 | C20 | 120.2° | 120.2° |
| C19 | C18 | C16 | 121.1° | 121.1° |
| C18 | C19 | H15 | 119.9° | 119.9° |
| C19 | C20 | O21 | 120.6° | 120.6° |
| C19 | C20 | C26 | 118.2° | 118.2° |
| C20 | C19 | H15 | 119.9° | 119.9° |
| C18 | C16 | O17 | 120.1° | 120.1° |
| C18 | C16 | C15 | 119.0° | 119.0° |
| O21 | C20 | C26 | 121.1° | 121.1° |
| C20 | C26 | C15 | 119.3° | 119.3° |
| C20 | C26 | C27 | 122.5° | 122.5° |
| C34 | C33 | C35 | 118.7° | 118.7° |
| C33 | C34 | H20 | 109.5° | 109.5° |
| C33 | C34 | H21 | 109.4° | 109.4° |
| C33 | C34 | H22 | 109.5° | 109.5° |
| C33 | C35 | C36 | 119.5° | 119.5° |
| C33 | C35 | H23 | 120.2° | 120.3° |
| O17 | C16 | C15 | 120.9° | 120.9° |
| C16 | O17 | H14 | 109.5° | 109.5° |
| C16 | C15 | C26 | 122.3° | 122.3° |
| C16 | C15 | C13 | 114.2° | 114.2° |
| C15 | C26 | C27 | 118.2° | 118.2° |
| C26 | C15 | C13 | 123.6° | 123.6° |
| C26 | C27 | C28 | 136.8° | 136.8° |
| C26 | C27 | C10 | 118.0° | 118.0° |
| O29 | C28 | C27 | 127.0° | 127.0° |
| O29 | C28 | C07 | 121.7° | 121.7° |
| C35 | C36 | C37 | 121.2° | 121.2° |
| C36 | C35 | H23 | 120.3° | 120.2° |
| C35 | C36 | H24 | 119.4° | 119.4° |
| C15 | C13 | O14 | 119.7° | 119.7° |
| C15 | C13 | C11 | 117.2° | 117.2° |
| C28 | C27 | C10 | 105.2° | 105.2° |
| C27 | C28 | C07 | 111.3° | 111.3° |
| C27 | C10 | C11 | 122.0° | 122.0° |
| C27 | C10 | O09 | 108.1° | 108.1° |
| C01 | O02 | C03 | 116.2° | 116.2° |
| O02 | C01 | H1 | 109.5° | 109.5° |
| O02 | C01 | H2 | 109.5° | 109.5° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| C28 | C07 | C08 | 110.8° | 110.8° |
| C28 | C07 | O09 | 104.4° | 104.4° |
| C28 | C07 | O06 | 115.7° | 115.7° |
| C36 | C37 | C38 | 130.0° | 130.0° |
| C37 | C36 | H24 | 119.4° | 119.4° |
| C36 | C37 | H25 | 115.0° | 115.0° |
| O14 | C13 | C11 | 123.0° | 123.0° |
| C13 | O14 | H13 | 109.5° | 109.5° |
| C13 | C11 | C10 | 121.0° | 121.0° |
| C13 | C11 | C12 | 121.7° | 121.7° |
| C37 | C38 | C39 | 112.7° | 112.7° |
| C37 | C38 | C40 | 108.6° | 108.6° |
| C38 | C37 | H25 | 115.0° | 115.0° |
| C37 | C38 | H26 | 106.4° | 106.4° |
| C11 | C10 | O09 | 129.9° | 129.9° |
| C10 | C11 | C12 | 117.3° | 117.3° |
| C10 | O09 | C07 | 102.0° | 102.0° |
| C39 | C38 | C40 | 115.9° | 115.9° |
| C39 | C38 | H26 | 106.5° | 106.5° |
| C38 | C39 | H27 | 109.5° | 109.5° |
| C38 | C39 | H28 | 109.4° | 109.4° |
| C38 | C39 | H29 | 109.5° | 109.5° |
| C08 | C07 | O09 | 106.3° | 106.3° |
| C08 | C07 | O06 | 111.0° | 111.0° |
| C07 | C08 | H7 | 109.5° | 109.5° |
| C07 | C08 | H8 | 109.5° | 109.5° |
| C07 | C08 | H9 | 109.4° | 109.4° |
| C11 | C12 | H10 | 109.5° | 109.5° |
| C11 | C12 | H11 | 109.5° | 109.5° |
| C11 | C12 | H12 | 109.4° | 109.4° |
| O09 | C07 | O06 | 108.0° | 108.0° |
| C07 | O06 | C05 | 118.5° | 118.5° |
| O02 | C03 | C04 | 112.5° | 112.5° |
| O02 | C03 | C53 | 108.0° | 108.0° |
| O02 | C03 | H4 | 110.6° | 110.6° |
| C38 | C40 | O41 | 106.4° | 106.4° |
| C38 | C40 | C42 | 114.9° | 114.9° |
| C40 | C38 | H26 | 106.1° | 106.1° |
| C38 | C40 | H30 | 108.2° | 108.2° |
| C03 | C04 | C05 | 119.9° | 119.9° |
| C04 | C03 | C53 | 108.4° | 108.4° |
| C04 | C03 | H4 | 108.6° | 108.6° |
| C03 | C04 | H5 | 120.0° | 120.0° |
| C04 | C05 | O06 | 123.5° | 123.5° |
| C05 | C04 | H5 | 120.1° | 120.1° |
| C04 | C05 | H6 | 118.2° | 118.2° |
| C03 | C53 | C48 | 107.8° | 107.8° |
| C03 | C53 | C54 | 112.6° | 112.6° |
| C53 | C03 | H4 | 108.8° | 108.8° |
| C03 | C53 | H46 | 107.5° | 107.5° |
| O06 | C05 | H6 | 118.2° | 118.2° |
| O52 | C50 | O49 | 121.6° | 121.6° |
| O52 | C50 | C51 | 118.8° | 118.8° |
| O41 | C40 | C42 | 108.1° | 108.1° |
| O41 | C40 | H30 | 110.7° | 110.7° |
| C40 | O41 | H31 | 109.5° | 109.5° |
| C40 | C42 | C44 | 112.0° | 112.0° |
| C40 | C42 | C43 | 108.0° | 108.0° |
| C42 | C40 | H30 | 108.6° | 108.6° |
| C40 | C42 | H32 | 109.2° | 109.2° |
| C48 | C53 | C54 | 113.7° | 113.7° |
| C53 | C48 | C46 | 110.2° | 110.2° |
| C53 | C48 | O49 | 109.0° | 109.0° |
| C53 | C48 | H42 | 106.7° | 106.7° |
| C48 | C53 | H46 | 107.5° | 107.5° |
| C54 | C53 | H46 | 107.5° | 107.4° |
| C53 | C54 | H47 | 109.5° | 109.5° |
| C53 | C54 | H48 | 109.4° | 109.5° |
| C53 | C54 | H49 | 109.5° | 109.5° |
| C46 | C48 | O49 | 115.8° | 115.8° |
| C48 | C46 | C44 | 116.5° | 116.5° |
| C48 | C46 | C47 | 112.7° | 112.7° |
| C48 | C46 | H38 | 104.8° | 104.9° |
| C46 | C48 | H42 | 106.5° | 106.5° |
| C48 | O49 | C50 | 117.9° | 117.9° |
| O49 | C48 | H42 | 108.2° | 108.2° |
| C42 | C44 | C46 | 117.4° | 117.4° |
| C42 | C44 | O45 | 106.3° | 106.3° |
| C44 | C42 | C43 | 109.2° | 109.2° |
| C44 | C42 | H32 | 109.0° | 109.0° |
| C42 | C44 | H36 | 107.9° | 107.9° |
| C46 | C44 | O45 | 107.3° | 107.3° |
| C44 | C46 | C47 | 111.5° | 111.5° |
| C46 | C44 | H36 | 107.8° | 107.8° |
| C44 | C46 | H38 | 105.0° | 105.0° |
| O45 | C44 | H36 | 109.9° | 109.9° |
| C44 | O45 | H37 | 109.5° | 109.5° |
| C43 | C42 | H32 | 109.4° | 109.4° |
| C42 | C43 | H33 | 109.5° | 109.5° |
| C42 | C43 | H34 | 109.4° | 109.4° |
| C42 | C43 | H35 | 109.4° | 109.4° |
| C47 | C46 | H38 | 105.1° | 105.1° |
| C46 | C47 | H39 | 109.5° | 109.5° |
| C46 | C47 | H40 | 109.5° | 109.5° |
| C46 | C47 | H41 | 109.5° | 109.5° |
| O49 | C50 | C51 | 119.5° | 119.5° |
| C50 | C51 | H43 | 109.5° | 109.5° |
| C50 | C51 | H44 | 109.5° | 109.5° |
| C50 | C51 | H45 | 109.5° | 109.4° |
| H1 | C01 | H2 | 109.4° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H7 | C08 | H8 | 109.4° | 109.4° |
| H7 | C08 | H9 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H10 | C12 | H12 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H16 | C24 | H17 | 109.5° | 109.5° |
| H20 | C34 | H21 | 109.5° | 109.5° |
| H20 | C34 | H22 | 109.4° | 109.5° |
| H21 | C34 | H22 | 109.5° | 109.5° |
| H27 | C39 | H28 | 109.5° | 109.5° |
| H27 | C39 | H29 | 109.4° | 109.4° |
| H28 | C39 | H29 | 109.5° | 109.5° |
| H33 | C43 | H34 | 109.5° | 109.5° |
| H33 | C43 | H35 | 109.5° | 109.5° |
| H34 | C43 | H35 | 109.5° | 109.5° |
| H39 | C47 | H40 | 109.4° | 109.4° |
| H39 | C47 | H41 | 109.4° | 109.4° |
| H40 | C47 | H41 | 109.5° | 109.5° |
| H43 | C51 | H44 | 109.5° | 109.5° |
| H43 | C51 | H45 | 109.5° | 109.5° |
| H44 | C51 | H45 | 109.5° | 109.5° |
| H47 | C54 | H48 | 109.5° | 109.4° |
| H47 | C54 | H49 | 109.5° | 109.5° |
| H48 | C54 | H49 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | C24 | C22 | H16 | 119.8° | 119.8° |
| O25 | C24 | C22 | H17 | 119.8° | 119.8° |
| O25 | C24 | C22 | O23 | 31.6° | 31.6° |
| O25 | C24 | C22 | O21 | 149.0° | 149.0° |
| O25 | C24 | H16 | H17 | 120.7° | 120.7° |
| C24 | C22 | O23 | O21 | 179.4° | 179.4° |
| C24 | C22 | O21 | C20 | 120.9° | 120.9° |
| C22 | C24 | H16 | H17 | 120.7° | 120.7° |
| C22 | C24 | O25 | H18 | 14.1° | 14.1° |
| O32 | C31 | N30 | C33 | 177.0° | 177.0° |
| O32 | C31 | N30 | C18 | 178.8° | 178.8° |
| O32 | C31 | C33 | C34 | 11.4° | 11.4° |
| O32 | C31 | C33 | C35 | 167.6° | 167.6° |
| O32 | C31 | N30 | H19 | 1.2° | 1.2° |
| O23 | C22 | O21 | C20 | 59.7° | 59.7° |
| O23 | C22 | C24 | H16 | 88.2° | 88.2° |
| O23 | C22 | C24 | H17 | 151.3° | 151.3° |
| C22 | O21 | C20 | C19 | 87.4° | 87.4° |
| C22 | O21 | C20 | C26 | 92.4° | 92.4° |
| O21 | C22 | C24 | H16 | 91.2° | 91.2° |
| O21 | C22 | C24 | H17 | 29.2° | 29.2° |
| C31 | N30 | C18 | H19 | 180.0° | 180.0° |
| C31 | N30 | C18 | C19 | 84.6° | 84.6° |
| C31 | N30 | C18 | C16 | 96.2° | 96.2° |
| N30 | C31 | C33 | C34 | 165.5° | 165.5° |
| N30 | C31 | C33 | C35 | 15.5° | 15.5° |
| C18 | N30 | C31 | C33 | 4.2° | 4.2° |
| N30 | C18 | C19 | C16 | 179.2° | 179.2° |
| N30 | C18 | C19 | C20 | 179.6° | 179.6° |
| N30 | C18 | C16 | O17 | 0.6° | 0.6° |
| N30 | C18 | C16 | C15 | 179.7° | 179.7° |
| N30 | C18 | C19 | H15 | 0.4° | 0.4° |
| C31 | C33 | C34 | C35 | 179.1° | 179.1° |
| C31 | C33 | C35 | C36 | 178.5° | 178.5° |
| C33 | C31 | N30 | H19 | 175.8° | 175.8° |
| C31 | C33 | C34 | H20 | 180.0° | 180.0° |
| C31 | C33 | C34 | H21 | 60.0° | 60.0° |
| C31 | C33 | C34 | H22 | 60.0° | 60.0° |
| C31 | C33 | C35 | H23 | 1.5° | 1.5° |
| C18 | C19 | C20 | H15 | 180.0° | 180.0° |
| C18 | C19 | C20 | O21 | 179.4° | 179.4° |
| C18 | C19 | C20 | C26 | 0.4° | 0.4° |
| C19 | C18 | C16 | O17 | 179.9° | 179.9° |
| C19 | C18 | C16 | C15 | 1.0° | 1.0° |
| C19 | C18 | N30 | H19 | 95.4° | 95.4° |
| C20 | C19 | C18 | C16 | 0.4° | 0.4° |
| C19 | C20 | O21 | C26 | 179.8° | 179.8° |
| C19 | C20 | C26 | C15 | 0.6° | 0.6° |
| C19 | C20 | C26 | C27 | 179.2° | 179.2° |
| C18 | C16 | O17 | C15 | 179.1° | 179.1° |
| C18 | C16 | C15 | C26 | 0.8° | 0.8° |
| C18 | C16 | C15 | C13 | 179.4° | 179.4° |
| C18 | C16 | O17 | H14 | 180.0° | 180.0° |
| C16 | C18 | C19 | H15 | 179.6° | 179.6° |
| C16 | C18 | N30 | H19 | 83.8° | 83.8° |
| O21 | C20 | C26 | C15 | 179.2° | 179.2° |
| O21 | C20 | C26 | C27 | 0.6° | 0.6° |
| O21 | C20 | C19 | H15 | 0.6° | 0.6° |
| C20 | C26 | C15 | C16 | 0.1° | 0.1° |
| C20 | C26 | C15 | C27 | 178.6° | 178.6° |
| C20 | C26 | C15 | C13 | 179.8° | 179.8° |
| C20 | C26 | C27 | C28 | 3.9° | 3.9° |
| C20 | C26 | C27 | C10 | 179.7° | 179.7° |
| C26 | C20 | C19 | H15 | 179.6° | 179.6° |
| C34 | C33 | C35 | C36 | 2.5° | 2.5° |
| C33 | C34 | H20 | H21 | 120.0° | 120.0° |
| C33 | C34 | H20 | H22 | 120.0° | 120.0° |
| C33 | C34 | H21 | H22 | 120.0° | 120.0° |
| C34 | C33 | C35 | H23 | 177.5° | 177.5° |
| C33 | C35 | C36 | H23 | 180.0° | 180.0° |
| C33 | C35 | C36 | C37 | 36.6° | 36.6° |
| C35 | C33 | C34 | H20 | 0.9° | 0.9° |
| C35 | C33 | C34 | H21 | 120.9° | 120.9° |
| C35 | C33 | C34 | H22 | 119.1° | 119.1° |
| C33 | C35 | C36 | H24 | 143.4° | 143.4° |
| O17 | C16 | C15 | C26 | 179.9° | 179.9° |
| O17 | C16 | C15 | C13 | 0.3° | 0.3° |
| C16 | C15 | C26 | C13 | 179.9° | 179.9° |
| C16 | C15 | C26 | C27 | 178.7° | 178.7° |
| C16 | C15 | C13 | O14 | 0.4° | 0.4° |
| C16 | C15 | C13 | C11 | 179.4° | 179.4° |
| C15 | C16 | O17 | H14 | 0.9° | 0.9° |
| C15 | C26 | C27 | C28 | 177.5° | 177.5° |
| C15 | C26 | C27 | C10 | 1.2° | 1.2° |
| C26 | C15 | C13 | O14 | 179.7° | 179.7° |
| C26 | C15 | C13 | C11 | 0.5° | 0.5° |
| C26 | C27 | C28 | O29 | 19.3° | 19.3° |
| C27 | C26 | C15 | C13 | 1.2° | 1.2° |
| C26 | C27 | C28 | C10 | 176.7° | 176.7° |
| C26 | C27 | C28 | C07 | 158.6° | 158.6° |
| C26 | C27 | C10 | C11 | 0.6° | 0.6° |
| C26 | C27 | C10 | O09 | 178.7° | 178.7° |
| O29 | C28 | C27 | C07 | 177.9° | 177.9° |
| O29 | C28 | C27 | C10 | 164.1° | 164.1° |
| O29 | C28 | C07 | C08 | 37.6° | 37.6° |
| O29 | C28 | C07 | O09 | 151.7° | 151.7° |
| O29 | C28 | C07 | O06 | 89.8° | 89.8° |
| C35 | C36 | C37 | H24 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 178.2° | 178.2° |
| C35 | C36 | C37 | H25 | 1.8° | 1.8° |
| C15 | C13 | O14 | C11 | 179.8° | 179.8° |
| C15 | C13 | C11 | C10 | 0.2° | 0.2° |
| C15 | C13 | C11 | C12 | 179.4° | 179.4° |
| C15 | C13 | O14 | H13 | 180.0° | 180.0° |
| C28 | C27 | C10 | C11 | 178.0° | 178.0° |
| C28 | C27 | C10 | O09 | 1.3° | 1.3° |
| C27 | C28 | C07 | C08 | 144.4° | 144.4° |
| C27 | C28 | C07 | O09 | 30.3° | 30.3° |
| C27 | C28 | C07 | O06 | 88.2° | 88.2° |
| C10 | C27 | C28 | C07 | 18.1° | 18.1° |
| C27 | C10 | C11 | C13 | 0.1° | 0.1° |
| C27 | C10 | C11 | O09 | 179.1° | 179.1° |
| C27 | C10 | C11 | C12 | 179.4° | 179.4° |
| C27 | C10 | O09 | C07 | 18.5° | 18.5° |
| C01 | O02 | C03 | C04 | 68.6° | 68.6° |
| C01 | O02 | C03 | C53 | 171.9° | 171.9° |
| O02 | C01 | H1 | H2 | 120.0° | 120.0° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | O02 | C03 | H4 | 52.9° | 52.9° |
| C28 | C07 | O09 | C10 | 28.3° | 28.3° |
| C28 | C07 | C08 | O09 | 112.8° | 112.8° |
| C28 | C07 | C08 | O06 | 130.0° | 130.0° |
| C28 | C07 | O09 | O06 | 123.6° | 123.6° |
| C28 | C07 | O06 | C05 | 38.5° | 38.5° |
| C28 | C07 | C08 | H7 | 180.0° | 180.0° |
| C28 | C07 | C08 | H8 | 60.0° | 60.0° |
| C28 | C07 | C08 | H9 | 60.0° | 60.0° |
| C36 | C37 | C38 | H25 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 46.8° | 46.8° |
| C36 | C37 | C38 | C40 | 83.1° | 83.1° |
| C37 | C36 | C35 | H23 | 143.4° | 143.4° |
| C36 | C37 | C38 | H26 | 163.1° | 163.1° |
| O14 | C13 | C11 | C10 | 179.6° | 179.6° |
| O14 | C13 | C11 | C12 | 0.9° | 0.9° |
| C13 | C11 | C10 | C12 | 179.5° | 179.5° |
| C13 | C11 | C10 | O09 | 179.2° | 179.2° |
| C13 | C11 | C12 | H10 | 90.2° | 90.2° |
| C13 | C11 | C12 | H11 | 149.8° | 149.8° |
| C13 | C11 | C12 | H12 | 29.8° | 29.8° |
| C11 | C13 | O14 | H13 | 0.2° | 0.2° |
| C37 | C38 | C39 | C40 | 126.0° | 126.0° |
| C37 | C38 | C39 | H26 | 116.2° | 116.2° |
| C37 | C38 | C40 | H26 | 114.0° | 114.0° |
| C37 | C38 | C40 | O41 | 97.5° | 97.5° |
| C37 | C38 | C40 | C42 | 142.9° | 142.9° |
| C38 | C37 | C36 | H24 | 1.8° | 1.8° |
| C37 | C38 | C39 | H27 | 180.0° | 180.0° |
| C37 | C38 | C39 | H28 | 60.0° | 60.0° |
| C37 | C38 | C39 | H29 | 60.0° | 60.0° |
| C37 | C38 | C40 | H30 | 21.4° | 21.4° |
| C11 | C10 | O09 | C07 | 160.7° | 160.7° |
| C10 | C11 | C12 | H10 | 90.2° | 90.2° |
| C10 | C11 | C12 | H11 | 29.8° | 29.8° |
| C10 | C11 | C12 | H12 | 149.8° | 149.8° |
| C10 | O09 | C07 | C08 | 145.5° | 145.5° |
| O09 | C10 | C11 | C12 | 0.3° | 0.3° |
| C10 | O09 | C07 | O06 | 95.3° | 95.3° |
| C39 | C38 | C40 | H26 | 118.0° | 118.0° |
| C39 | C38 | C40 | O41 | 134.4° | 134.4° |
| C39 | C38 | C40 | C42 | 14.9° | 14.9° |
| C39 | C38 | C37 | H25 | 133.2° | 133.2° |
| C38 | C39 | H27 | H28 | 120.0° | 120.0° |
| C38 | C39 | H27 | H29 | 120.0° | 120.0° |
| C38 | C39 | H28 | H29 | 120.0° | 120.0° |
| C39 | C38 | C40 | H30 | 106.6° | 106.6° |
| C08 | C07 | O09 | O06 | 119.2° | 119.2° |
| C08 | C07 | O06 | C05 | 165.8° | 165.8° |
| C07 | C08 | H7 | H8 | 120.0° | 120.0° |
| C07 | C08 | H7 | H9 | 120.0° | 120.0° |
| C07 | C08 | H8 | H9 | 120.0° | 120.0° |
| C11 | C12 | H10 | H11 | 120.0° | 120.0° |
| C11 | C12 | H10 | H12 | 120.0° | 120.0° |
| C11 | C12 | H11 | H12 | 120.0° | 120.0° |
| O09 | C07 | O06 | C05 | 78.0° | 78.0° |
| O09 | C07 | C08 | H7 | 67.2° | 67.2° |
| O09 | C07 | C08 | H8 | 52.8° | 52.8° |
| O09 | C07 | C08 | H9 | 172.8° | 172.8° |
| C07 | O06 | C05 | C04 | 82.3° | 82.3° |
| C07 | O06 | C05 | H6 | 97.7° | 97.7° |
| O06 | C07 | C08 | H7 | 50.0° | 50.0° |
| O06 | C07 | C08 | H8 | 170.0° | 170.0° |
| O06 | C07 | C08 | H9 | 70.0° | 70.0° |
| O02 | C03 | C04 | C53 | 119.3° | 119.3° |
| O02 | C03 | C04 | H4 | 122.7° | 122.7° |
| O02 | C03 | C04 | C05 | 156.4° | 156.4° |
| O02 | C03 | C53 | H4 | 120.1° | 120.1° |
| O02 | C03 | C53 | C48 | 51.2° | 51.2° |
| O02 | C03 | C53 | C54 | 75.0° | 75.0° |
| C03 | O02 | C01 | H1 | 180.0° | 180.0° |
| C03 | O02 | C01 | H2 | 60.0° | 60.0° |
| C03 | O02 | C01 | H3 | 60.0° | 60.0° |
| O02 | C03 | C04 | H5 | 23.6° | 23.6° |
| O02 | C03 | C53 | H46 | 166.8° | 166.8° |
| C38 | C40 | O41 | C42 | 123.9° | 123.9° |
| C38 | C40 | O41 | H30 | 117.4° | 117.4° |
| C38 | C40 | C42 | H30 | 121.3° | 121.3° |
| C38 | C40 | C42 | C44 | 65.9° | 65.9° |
| C38 | C40 | C42 | C43 | 173.9° | 173.9° |
| C40 | C38 | C37 | H25 | 96.9° | 96.9° |
| C40 | C38 | C39 | H27 | 54.0° | 54.0° |
| C40 | C38 | C39 | H28 | 66.0° | 66.0° |
| C40 | C38 | C39 | H29 | 174.0° | 174.0° |
| C38 | C40 | O41 | H31 | 180.0° | 180.0° |
| C38 | C40 | C42 | H32 | 55.0° | 55.0° |
| C03 | C04 | C05 | H5 | 180.0° | 180.0° |
| C04 | C03 | C53 | H4 | 117.9° | 117.9° |
| C03 | C04 | C05 | O06 | 177.8° | 177.8° |
| C04 | C03 | C53 | C48 | 173.3° | 173.3° |
| C04 | C03 | C53 | C54 | 47.0° | 47.0° |
| C03 | C04 | C05 | H6 | 2.1° | 2.1° |
| C04 | C03 | C53 | H46 | 71.1° | 71.1° |
| C05 | C04 | C03 | C53 | 37.1° | 37.1° |
| C04 | C05 | O06 | H6 | 180.0° | 180.0° |
| C05 | C04 | C03 | H4 | 80.9° | 80.9° |
| C03 | C53 | C48 | C54 | 125.6° | 125.6° |
| C03 | C53 | C48 | H46 | 115.6° | 115.6° |
| C03 | C53 | C54 | H46 | 118.2° | 118.2° |
| C03 | C53 | C48 | C46 | 98.4° | 98.4° |
| C03 | C53 | C48 | O49 | 133.4° | 133.4° |
| C53 | C03 | C04 | H5 | 142.9° | 142.9° |
| C03 | C53 | C48 | H42 | 16.7° | 16.7° |
| C03 | C53 | C54 | H47 | 180.0° | 180.0° |
| C03 | C53 | C54 | H48 | 60.0° | 60.0° |
| C03 | C53 | C54 | H49 | 60.0° | 60.0° |
| O06 | C05 | C04 | H5 | 2.2° | 2.2° |
| O52 | C50 | O49 | C48 | 63.7° | 63.7° |
| O52 | C50 | O49 | C51 | 179.5° | 179.5° |
| O52 | C50 | C51 | H43 | 0.0° | 0.0° |
| O52 | C50 | C51 | H44 | 120.0° | 120.0° |
| O52 | C50 | C51 | H45 | 120.0° | 120.0° |
| O41 | C40 | C42 | H30 | 120.1° | 120.1° |
| O41 | C40 | C42 | C44 | 175.5° | 175.5° |
| O41 | C40 | C42 | C43 | 55.3° | 55.3° |
| O41 | C40 | C38 | H26 | 16.4° | 16.4° |
| O41 | C40 | C42 | H32 | 63.6° | 63.6° |
| C40 | C42 | C44 | C43 | 119.5° | 119.5° |
| C40 | C42 | C44 | H32 | 121.0° | 121.0° |
| C40 | C42 | C44 | C46 | 76.4° | 76.4° |
| C40 | C42 | C44 | O45 | 163.4° | 163.4° |
| C40 | C42 | C43 | H32 | 118.8° | 118.8° |
| C42 | C40 | C38 | H26 | 103.1° | 103.1° |
| C42 | C40 | O41 | H31 | 56.1° | 56.1° |
| C40 | C42 | C43 | H33 | 180.0° | 180.0° |
| C40 | C42 | C43 | H34 | 60.0° | 60.0° |
| C40 | C42 | C43 | H35 | 60.0° | 60.0° |
| C40 | C42 | C44 | H36 | 45.5° | 45.5° |
| C48 | C53 | C54 | H46 | 118.8° | 118.8° |
| C53 | C48 | C46 | O49 | 124.3° | 124.3° |
| C53 | C48 | C46 | H42 | 115.3° | 115.3° |
| C53 | C48 | O49 | H42 | 115.7° | 115.7° |
| C53 | C48 | C46 | C44 | 150.2° | 150.2° |
| C53 | C48 | C46 | C47 | 79.1° | 79.1° |
| C53 | C48 | O49 | C50 | 50.4° | 50.4° |
| C48 | C53 | C03 | H4 | 68.8° | 68.8° |
| C53 | C48 | C46 | H38 | 34.7° | 34.6° |
| C48 | C53 | C54 | H47 | 57.0° | 57.0° |
| C48 | C53 | C54 | H48 | 177.0° | 177.0° |
| C48 | C53 | C54 | H49 | 63.0° | 63.0° |
| C54 | C53 | C48 | C46 | 27.2° | 27.2° |
| C54 | C53 | C48 | O49 | 101.0° | 101.0° |
| C54 | C53 | C03 | H4 | 164.9° | 164.9° |
| C54 | C53 | C48 | H42 | 142.4° | 142.4° |
| C53 | C54 | H47 | H48 | 120.0° | 120.0° |
| C53 | C54 | H47 | H49 | 120.0° | 120.0° |
| C53 | C54 | H48 | H49 | 120.0° | 120.0° |
| C46 | C48 | O49 | H42 | 119.4° | 119.4° |
| C48 | C46 | C44 | C42 | 56.3° | 56.3° |
| C48 | C46 | C44 | C47 | 131.3° | 131.3° |
| C48 | C46 | C44 | H38 | 115.4° | 115.5° |
| C48 | C46 | C44 | O45 | 175.9° | 175.9° |
| C48 | C46 | C47 | H38 | 113.6° | 113.6° |
| C46 | C48 | O49 | C50 | 175.3° | 175.3° |
| C48 | C46 | C44 | H36 | 65.7° | 65.7° |
| C48 | C46 | C47 | H39 | 180.0° | 180.0° |
| C48 | C46 | C47 | H40 | 60.0° | 60.0° |
| C48 | C46 | C47 | H41 | 60.0° | 60.0° |
| C46 | C48 | C53 | H46 | 146.0° | 145.9° |
| O49 | C48 | C46 | C44 | 85.5° | 85.5° |
| O49 | C48 | C46 | C47 | 45.2° | 45.2° |
| C48 | O49 | C50 | C51 | 116.8° | 116.8° |
| O49 | C48 | C46 | H38 | 159.0° | 158.9° |
| O49 | C48 | C53 | H46 | 17.8° | 17.8° |
| C42 | C44 | C46 | O45 | 119.6° | 119.6° |
| C42 | C44 | C46 | H36 | 122.0° | 122.0° |
| C42 | C44 | O45 | H36 | 116.6° | 116.6° |
| C44 | C42 | C43 | H32 | 119.2° | 119.2° |
| C42 | C44 | C46 | C47 | 75.0° | 75.0° |
| C44 | C42 | C40 | H30 | 55.4° | 55.4° |
| C44 | C42 | C43 | H33 | 58.0° | 58.0° |
| C44 | C42 | C43 | H34 | 178.0° | 178.0° |
| C44 | C42 | C43 | H35 | 62.0° | 62.0° |
| C42 | C44 | O45 | H37 | 180.0° | 180.0° |
| C42 | C44 | C46 | H38 | 171.7° | 171.8° |
| C46 | C44 | O45 | H36 | 117.0° | 117.0° |
| C46 | C44 | C42 | C43 | 43.1° | 43.1° |
| C44 | C46 | C47 | H38 | 113.2° | 113.2° |
| C46 | C44 | C42 | H32 | 162.6° | 162.6° |
| C46 | C44 | O45 | H37 | 53.5° | 53.5° |
| C44 | C46 | C47 | H39 | 46.8° | 46.8° |
| C44 | C46 | C47 | H40 | 73.2° | 73.2° |
| C44 | C46 | C47 | H41 | 166.8° | 166.8° |
| C44 | C46 | C48 | H42 | 34.9° | 34.9° |
| O45 | C44 | C42 | C43 | 77.0° | 77.0° |
| O45 | C44 | C46 | C47 | 44.6° | 44.6° |
| O45 | C44 | C42 | H32 | 42.4° | 42.4° |
| O45 | C44 | C46 | H38 | 68.7° | 68.6° |
| C43 | C42 | C40 | H30 | 64.8° | 64.8° |
| C42 | C43 | H33 | H34 | 120.0° | 120.0° |
| C42 | C43 | H33 | H35 | 120.0° | 120.0° |
| C42 | C43 | H34 | H35 | 119.9° | 119.9° |
| C43 | C42 | C44 | H36 | 165.1° | 165.1° |
| C47 | C46 | C44 | H36 | 163.0° | 163.0° |
| C46 | C47 | H39 | H40 | 120.0° | 120.0° |
| C46 | C47 | H39 | H41 | 120.0° | 120.0° |
| C46 | C47 | H40 | H41 | 120.0° | 120.0° |
| C47 | C46 | C48 | H42 | 165.6° | 165.6° |
| C50 | O49 | C48 | H42 | 65.3° | 65.3° |
| O49 | C50 | C51 | H43 | 179.5° | 179.5° |
| O49 | C50 | C51 | H44 | 60.5° | 60.5° |
| O49 | C50 | C51 | H45 | 59.5° | 59.5° |
| C50 | C51 | H43 | H44 | 120.0° | 120.0° |
| C50 | C51 | H43 | H45 | 120.0° | 120.0° |
| C50 | C51 | H44 | H45 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | C04 | H5 | 99.1° | 99.1° |
| H4 | C03 | C53 | H46 | 46.7° | 46.7° |
| H5 | C04 | C05 | H6 | 177.9° | 177.9° |
| H7 | C08 | H8 | H9 | 120.0° | 120.0° |
| H10 | C12 | H11 | H12 | 120.0° | 120.0° |
| H16 | C24 | O25 | H18 | 105.7° | 105.7° |
| H17 | C24 | O25 | H18 | 133.9° | 133.9° |
| H20 | C34 | H21 | H22 | 120.0° | 120.0° |
| H23 | C35 | C36 | H24 | 36.6° | 36.6° |
| H24 | C36 | C37 | H25 | 178.2° | 178.2° |
| H25 | C37 | C38 | H26 | 16.9° | 16.9° |
| H26 | C38 | C39 | H27 | 63.8° | 63.8° |
| H26 | C38 | C39 | H28 | 176.2° | 176.2° |
| H26 | C38 | C39 | H29 | 56.2° | 56.2° |
| H26 | C38 | C40 | H30 | 135.4° | 135.4° |
| H27 | C39 | H28 | H29 | 120.0° | 120.0° |
| H30 | C40 | O41 | H31 | 62.6° | 62.6° |
| H30 | C40 | C42 | H32 | 176.3° | 176.3° |
| H32 | C42 | C43 | H33 | 61.2° | 61.2° |
| H32 | C42 | C43 | H34 | 58.8° | 58.8° |
| H32 | C42 | C43 | H35 | 178.8° | 178.8° |
| H32 | C42 | C44 | H36 | 75.5° | 75.5° |
| H33 | C43 | H34 | H35 | 120.0° | 120.0° |
| H36 | C44 | O45 | H37 | 63.5° | 63.5° |
| H36 | C44 | C46 | H38 | 49.7° | 49.7° |
| H38 | C46 | C47 | H39 | 66.4° | 66.4° |
| H38 | C46 | C47 | H40 | 173.6° | 173.6° |
| H38 | C46 | C47 | H41 | 53.6° | 53.6° |
| H38 | C46 | C48 | H42 | 80.7° | 80.7° |
| H39 | C47 | H40 | H41 | 119.9° | 119.9° |
| H42 | C48 | C53 | H46 | 98.8° | 98.9° |
| H43 | C51 | H44 | H45 | 120.0° | 120.0° |
| H46 | C53 | C54 | H47 | 61.8° | 61.8° |
| H46 | C53 | C54 | H48 | 58.2° | 58.2° |
| H46 | C53 | C54 | H49 | 178.2° | 178.2° |
| H47 | C54 | H48 | H49 | 120.0° | 120.0° |
