IRM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | C1 | sing | 1.43Å | 1.44Å | |
| C31 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C30 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C33 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | doub | 1.34Å | 1.34Å | |
| C6 | C7 | sing | 1.42Å | 1.43Å | |
| C7 | C8 | doub | 1.36Å | 1.34Å | |
| C8 | C9 | sing | 1.40Å | 1.45Å | |
| C9 | C34 | sing | 1.51Å | 1.50Å | |
| C9 | C10 | doub | 1.36Å | 1.35Å | |
| C10 | C11 | sing | 1.40Å | 1.43Å | |
| C11 | C12 | doub | 1.38Å | 1.34Å | |
| C12 | C13 | sing | 1.40Å | 1.45Å | |
| C13 | C14 | doub | 1.38Å | 1.35Å | |
| C13 | C35 | sing | 1.51Å | 1.50Å | |
| C14 | C15 | sing | 1.40Å | 1.42Å | |
| C15 | C16 | doub | 1.38Å | 1.34Å | |
| C16 | C17 | sing | 1.40Å | 1.42Å | |
| C36 | C18 | sing | 1.51Å | 1.50Å | |
| C17 | C18 | doub | 1.38Å | 1.35Å | |
| C18 | C19 | sing | 1.40Å | 1.45Å | |
| C19 | C20 | doub | 1.38Å | 1.33Å | |
| C20 | C21 | sing | 1.40Å | 1.42Å | |
| C37 | C22 | sing | 1.51Å | 1.50Å | |
| C21 | C22 | doub | 1.37Å | 1.35Å | |
| C22 | C23 | sing | 1.41Å | 1.45Å | |
| C23 | C24 | doub | 1.36Å | 1.33Å | |
| C24 | C25 | sing | 1.42Å | 1.42Å | |
| C25 | C26 | doub | 1.34Å | 1.34Å | |
| C38 | C26 | sing | 1.51Å | 1.50Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.51Å | 1.50Å | |
| C29 | C39 | doub | 1.31Å | 1.32Å | |
| C41 | C39 | sing | 1.51Å | 1.50Å | |
| C39 | C40 | sing | 1.51Å | 1.50Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C36 | H38 | sing | 1.09Å | 1.10Å | |
| C36 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C37 | H41 | sing | 1.09Å | 1.10Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C38 | H44 | sing | 1.09Å | 1.10Å | |
| C38 | H45 | sing | 1.09Å | 1.10Å | |
| C38 | H46 | sing | 1.09Å | 1.10Å | |
| C4 | H47 | sing | 1.09Å | 1.10Å | |
| C4 | H48 | sing | 1.09Å | 1.10Å | |
| C40 | H49 | sing | 1.09Å | 1.10Å | |
| C40 | H50 | sing | 1.09Å | 1.10Å | |
| C40 | H51 | sing | 1.09Å | 1.10Å | |
| C41 | H52 | sing | 1.09Å | 1.10Å | |
| C41 | H53 | sing | 1.09Å | 1.10Å | |
| C41 | H54 | sing | 1.09Å | 1.10Å | |
| C6 | H55 | sing | 1.08Å | 1.08Å | |
| C7 | H56 | sing | 1.08Å | 1.08Å | |
| C8 | H57 | sing | 1.08Å | 1.08Å | |
| O32 | H58 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | C1 | C31 | 107.8° | 109.5° |
| O32 | C1 | C30 | 107.7° | 109.5° |
| O32 | C1 | C2 | 108.0° | 109.5° |
| C1 | O32 | H58 | 109.5° | 114.0° |
| C31 | C1 | C30 | 110.8° | 109.5° |
| C31 | C1 | C2 | 111.2° | 109.5° |
| C1 | C31 | H26 | 109.5° | 109.4° |
| C1 | C31 | H27 | 109.5° | 109.4° |
| C1 | C31 | H28 | 109.5° | 109.4° |
| C30 | C1 | C2 | 111.2° | 109.5° |
| C1 | C30 | H23 | 109.5° | 109.5° |
| C1 | C30 | H24 | 109.5° | 109.5° |
| C1 | C30 | H25 | 109.5° | 109.5° |
| C1 | C2 | C3 | 116.2° | 109.5° |
| C1 | C2 | H9 | 107.8° | 109.4° |
| C1 | C2 | H10 | 107.8° | 109.4° |
| C2 | C3 | C4 | 111.8° | 109.5° |
| C3 | C2 | H9 | 107.8° | 109.5° |
| C3 | C2 | H10 | 107.8° | 109.5° |
| C2 | C3 | H21 | 108.9° | 109.5° |
| C2 | C3 | H22 | 108.9° | 109.5° |
| C3 | C4 | C5 | 113.9° | 109.5° |
| C4 | C3 | H21 | 108.9° | 109.4° |
| C4 | C3 | H22 | 108.9° | 109.5° |
| C3 | C4 | H47 | 108.4° | 109.4° |
| C3 | C4 | H48 | 108.4° | 109.5° |
| C4 | C5 | C33 | 115.3° | 120.0° |
| C4 | C5 | C6 | 121.6° | 120.0° |
| C5 | C4 | H47 | 108.4° | 109.5° |
| C5 | C4 | H48 | 108.4° | 109.5° |
| C33 | C5 | C6 | 123.0° | 120.0° |
| C5 | C33 | H29 | 109.5° | 109.5° |
| C5 | C33 | H30 | 109.5° | 109.5° |
| C5 | C33 | H31 | 109.5° | 109.4° |
| C5 | C6 | C7 | 125.2° | 120.0° |
| C5 | C6 | H55 | 117.4° | 120.0° |
| C6 | C7 | C8 | 123.1° | 120.0° |
| C7 | C6 | H55 | 117.4° | 120.0° |
| C6 | C7 | H56 | 118.4° | 120.0° |
| C7 | C8 | C9 | 127.4° | 120.0° |
| C8 | C7 | H56 | 118.4° | 120.0° |
| C7 | C8 | H57 | 116.3° | 120.0° |
| C8 | C9 | C34 | 118.1° | 120.0° |
| C8 | C9 | C10 | 119.0° | 120.0° |
| C9 | C8 | H57 | 116.3° | 120.0° |
| C34 | C9 | C10 | 122.9° | 120.0° |
| C9 | C34 | H32 | 109.5° | 109.5° |
| C9 | C34 | H33 | 109.5° | 109.5° |
| C9 | C34 | H34 | 109.4° | 109.5° |
| C9 | C10 | C11 | 127.8° | 120.0° |
| C9 | C10 | H1 | 116.1° | 120.0° |
| C10 | C11 | C12 | 122.4° | 120.0° |
| C11 | C10 | H1 | 116.1° | 120.0° |
| C10 | C11 | H2 | 118.8° | 120.0° |
| C11 | C12 | C13 | 127.7° | 120.0° |
| C12 | C11 | H2 | 118.8° | 120.0° |
| C11 | C12 | H3 | 116.1° | 120.0° |
| C12 | C13 | C14 | 118.6° | 120.0° |
| C12 | C13 | C35 | 118.2° | 120.0° |
| C13 | C12 | H3 | 116.1° | 120.0° |
| C14 | C13 | C35 | 123.2° | 120.0° |
| C13 | C14 | C15 | 128.2° | 120.0° |
| C13 | C14 | H4 | 115.9° | 120.0° |
| C13 | C35 | H35 | 109.5° | 109.5° |
| C13 | C35 | H36 | 109.4° | 109.5° |
| C13 | C35 | H37 | 109.5° | 109.5° |
| C14 | C15 | C16 | 121.4° | 120.0° |
| C15 | C14 | H4 | 115.9° | 120.0° |
| C14 | C15 | H5 | 119.3° | 120.0° |
| C15 | C16 | C17 | 125.9° | 120.0° |
| C16 | C15 | H5 | 119.3° | 120.0° |
| C15 | C16 | H6 | 117.0° | 120.0° |
| C16 | C17 | C18 | 126.8° | 120.0° |
| C17 | C16 | H6 | 117.0° | 120.0° |
| C16 | C17 | H7 | 116.6° | 119.9° |
| C36 | C18 | C17 | 122.4° | 120.0° |
| C36 | C18 | C19 | 117.7° | 120.0° |
| C18 | C36 | H38 | 109.5° | 109.4° |
| C18 | C36 | H39 | 109.5° | 109.5° |
| C18 | C36 | H40 | 109.5° | 109.5° |
| C17 | C18 | C19 | 119.7° | 120.0° |
| C18 | C17 | H7 | 116.6° | 120.1° |
| C18 | C19 | C20 | 125.8° | 120.0° |
| C18 | C19 | H8 | 117.1° | 120.0° |
| C19 | C20 | C21 | 125.0° | 120.0° |
| C20 | C19 | H8 | 117.1° | 120.0° |
| C19 | C20 | H11 | 117.5° | 120.0° |
| C20 | C21 | C22 | 127.3° | 120.0° |
| C21 | C20 | H11 | 117.5° | 120.0° |
| C20 | C21 | H12 | 116.3° | 120.0° |
| C37 | C22 | C21 | 122.9° | 120.0° |
| C37 | C22 | C23 | 117.8° | 120.0° |
| C22 | C37 | H41 | 109.5° | 109.5° |
| C22 | C37 | H42 | 109.4° | 109.5° |
| C22 | C37 | H43 | 109.4° | 109.5° |
| C21 | C22 | C23 | 119.3° | 120.0° |
| C22 | C21 | H12 | 116.3° | 120.0° |
| C22 | C23 | C24 | 126.8° | 120.0° |
| C22 | C23 | H13 | 116.6° | 120.0° |
| C23 | C24 | C25 | 123.1° | 120.0° |
| C24 | C23 | H13 | 116.6° | 120.0° |
| C23 | C24 | H14 | 118.5° | 120.0° |
| C24 | C25 | C26 | 124.8° | 120.0° |
| C25 | C24 | H14 | 118.4° | 120.0° |
| C24 | C25 | H15 | 117.6° | 120.0° |
| C25 | C26 | C38 | 123.2° | 120.1° |
| C25 | C26 | C27 | 121.2° | 120.0° |
| C26 | C25 | H15 | 117.6° | 120.0° |
| C38 | C26 | C27 | 115.5° | 120.0° |
| C26 | C38 | H44 | 109.5° | 109.5° |
| C26 | C38 | H45 | 109.5° | 109.5° |
| C26 | C38 | H46 | 109.4° | 109.4° |
| C26 | C27 | C28 | 112.2° | 109.4° |
| C26 | C27 | H16 | 108.8° | 109.4° |
| C26 | C27 | H17 | 108.8° | 109.5° |
| C27 | C28 | C29 | 111.1° | 109.5° |
| C28 | C27 | H16 | 108.8° | 109.5° |
| C28 | C27 | H17 | 108.8° | 109.5° |
| C27 | C28 | H18 | 109.1° | 109.5° |
| C27 | C28 | H19 | 109.0° | 109.5° |
| C28 | C29 | C39 | 127.3° | 120.0° |
| C29 | C28 | H18 | 109.0° | 109.5° |
| C29 | C28 | H19 | 109.1° | 109.4° |
| C28 | C29 | H20 | 116.3° | 120.0° |
| C29 | C39 | C41 | 122.4° | 120.0° |
| C29 | C39 | C40 | 122.9° | 120.0° |
| C39 | C29 | H20 | 116.3° | 120.0° |
| C41 | C39 | C40 | 114.7° | 120.0° |
| C39 | C41 | H52 | 109.5° | 109.5° |
| C39 | C41 | H53 | 109.4° | 109.5° |
| C39 | C41 | H54 | 109.5° | 109.4° |
| C39 | C40 | H49 | 109.5° | 109.5° |
| C39 | C40 | H50 | 109.5° | 109.5° |
| C39 | C40 | H51 | 109.5° | 109.5° |
| H9 | C2 | H10 | 109.5° | 109.5° |
| H16 | C27 | H17 | 109.5° | 109.5° |
| H18 | C28 | H19 | 109.5° | 109.5° |
| H21 | C3 | H22 | 109.5° | 109.5° |
| H23 | C30 | H24 | 109.5° | 109.4° |
| H23 | C30 | H25 | 109.5° | 109.4° |
| H24 | C30 | H25 | 109.5° | 109.4° |
| H26 | C31 | H27 | 109.5° | 109.5° |
| H26 | C31 | H28 | 109.4° | 109.5° |
| H27 | C31 | H28 | 109.5° | 109.5° |
| H29 | C33 | H30 | 109.5° | 109.5° |
| H29 | C33 | H31 | 109.4° | 109.5° |
| H30 | C33 | H31 | 109.5° | 109.5° |
| H32 | C34 | H33 | 109.4° | 109.4° |
| H32 | C34 | H34 | 109.5° | 109.4° |
| H33 | C34 | H34 | 109.5° | 109.4° |
| H35 | C35 | H36 | 109.5° | 109.5° |
| H35 | C35 | H37 | 109.5° | 109.5° |
| H36 | C35 | H37 | 109.5° | 109.5° |
| H38 | C36 | H39 | 109.4° | 109.5° |
| H38 | C36 | H40 | 109.5° | 109.5° |
| H39 | C36 | H40 | 109.5° | 109.5° |
| H41 | C37 | H42 | 109.4° | 109.5° |
| H41 | C37 | H43 | 109.5° | 109.5° |
| H42 | C37 | H43 | 109.5° | 109.4° |
| H44 | C38 | H45 | 109.5° | 109.5° |
| H44 | C38 | H46 | 109.5° | 109.5° |
| H45 | C38 | H46 | 109.5° | 109.5° |
| H47 | C4 | H48 | 109.5° | 109.5° |
| H49 | C40 | H50 | 109.5° | 109.4° |
| H49 | C40 | H51 | 109.4° | 109.5° |
| H50 | C40 | H51 | 109.5° | 109.5° |
| H52 | C41 | H53 | 109.5° | 109.5° |
| H52 | C41 | H54 | 109.4° | 109.5° |
| H53 | C41 | H54 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | C1 | C31 | C30 | 117.6° | 120.0° |
| O32 | C1 | C31 | C2 | 118.2° | 120.0° |
| O32 | C1 | C30 | C2 | 118.2° | 120.0° |
| O32 | C1 | C2 | C3 | 159.6° | 65.0° |
| O32 | C1 | C2 | H9 | 38.7° | 175.0° |
| O32 | C1 | C2 | H10 | 79.4° | 55.1° |
| O32 | C1 | C30 | H23 | 180.0° | 180.0° |
| O32 | C1 | C30 | H24 | 60.0° | 60.0° |
| O32 | C1 | C30 | H25 | 60.0° | 60.0° |
| O32 | C1 | C31 | H26 | 180.0° | 180.0° |
| O32 | C1 | C31 | H27 | 60.0° | 60.0° |
| O32 | C1 | C31 | H28 | 60.0° | 60.0° |
| C31 | C1 | C30 | C2 | 124.2° | 120.0° |
| C31 | C1 | C2 | C3 | 82.3° | 55.0° |
| C31 | C1 | C2 | H9 | 156.8° | 65.0° |
| C31 | C1 | C2 | H10 | 38.7° | 175.1° |
| C31 | C1 | C30 | H23 | 62.3° | 60.0° |
| C31 | C1 | C30 | H24 | 57.7° | 60.0° |
| C31 | C1 | C30 | H25 | 177.7° | 180.0° |
| C1 | C31 | H26 | H27 | 120.0° | 119.9° |
| C1 | C31 | H26 | H28 | 120.0° | 120.0° |
| C1 | C31 | H27 | H28 | 120.0° | 120.0° |
| C31 | C1 | O32 | H58 | 180.0° | 60.0° |
| C30 | C1 | C2 | C3 | 41.7° | 175.0° |
| C30 | C1 | C2 | H9 | 79.3° | 55.0° |
| C30 | C1 | C2 | H10 | 162.6° | 64.9° |
| C1 | C30 | H23 | H24 | 120.0° | 120.0° |
| C1 | C30 | H23 | H25 | 120.0° | 120.1° |
| C1 | C30 | H24 | H25 | 120.0° | 120.1° |
| C30 | C1 | C31 | H26 | 62.4° | 60.0° |
| C30 | C1 | C31 | H27 | 177.6° | 180.0° |
| C30 | C1 | C31 | H28 | 57.6° | 60.0° |
| C30 | C1 | O32 | H58 | 60.5° | 60.0° |
| C1 | C2 | C3 | H9 | 121.0° | 120.0° |
| C1 | C2 | C3 | H10 | 121.0° | 120.0° |
| C1 | C2 | C3 | C4 | 167.2° | 180.0° |
| C1 | C2 | H9 | H10 | 117.0° | 119.9° |
| C1 | C2 | C3 | H21 | 46.8° | 60.0° |
| C1 | C2 | C3 | H22 | 72.5° | 60.0° |
| C2 | C1 | C30 | H23 | 61.8° | 60.0° |
| C2 | C1 | C30 | H24 | 178.2° | 180.0° |
| C2 | C1 | C30 | H25 | 58.2° | 60.0° |
| C2 | C1 | C31 | H26 | 61.8° | 60.0° |
| C2 | C1 | C31 | H27 | 58.2° | 60.0° |
| C2 | C1 | C31 | H28 | 178.2° | 180.0° |
| C2 | C1 | O32 | H58 | 59.7° | 180.0° |
| C2 | C3 | C4 | H21 | 120.3° | 120.0° |
| C2 | C3 | C4 | H22 | 120.3° | 120.0° |
| C2 | C3 | C4 | C5 | 156.8° | 180.0° |
| C3 | C2 | H9 | H10 | 117.0° | 120.1° |
| C2 | C3 | H21 | H22 | 118.9° | 120.0° |
| C2 | C3 | C4 | H47 | 36.2° | 60.0° |
| C2 | C3 | C4 | H48 | 82.5° | 60.0° |
| C3 | C4 | C5 | H47 | 120.7° | 120.0° |
| C3 | C4 | C5 | H48 | 120.6° | 120.0° |
| C3 | C4 | C5 | C33 | 68.1° | 85.0° |
| C3 | C4 | C5 | C6 | 111.1° | 95.0° |
| C4 | C3 | C2 | H9 | 71.8° | 60.0° |
| C4 | C3 | C2 | H10 | 46.2° | 60.0° |
| C4 | C3 | H21 | H22 | 118.9° | 120.0° |
| C3 | C4 | H47 | H48 | 118.0° | 120.0° |
| C4 | C5 | C33 | C6 | 179.2° | 180.0° |
| C4 | C5 | C6 | C7 | 175.4° | 180.0° |
| C5 | C4 | C3 | H21 | 82.8° | 60.0° |
| C5 | C4 | C3 | H22 | 36.5° | 60.0° |
| C4 | C5 | C33 | H29 | 180.0° | 90.0° |
| C4 | C5 | C33 | H30 | 60.0° | 150.0° |
| C4 | C5 | C33 | H31 | 60.0° | 30.0° |
| C5 | C4 | H47 | H48 | 118.0° | 120.1° |
| C4 | C5 | C6 | H55 | 4.5° | 0.0° |
| C33 | C5 | C6 | C7 | 5.4° | 0.0° |
| C5 | C33 | H29 | H30 | 120.0° | 120.0° |
| C5 | C33 | H29 | H31 | 120.0° | 120.0° |
| C5 | C33 | H30 | H31 | 120.0° | 120.0° |
| C33 | C5 | C4 | H47 | 52.5° | 155.0° |
| C33 | C5 | C4 | H48 | 171.2° | 35.0° |
| C33 | C5 | C6 | H55 | 174.7° | 180.0° |
| C5 | C6 | C7 | H55 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 177.8° | 180.0° |
| C6 | C5 | C33 | H29 | 0.8° | 90.0° |
| C6 | C5 | C33 | H30 | 119.2° | 30.0° |
| C6 | C5 | C33 | H31 | 120.8° | 150.0° |
| C6 | C5 | C4 | H47 | 128.3° | 24.9° |
| C6 | C5 | C4 | H48 | 9.6° | 145.0° |
| C5 | C6 | C7 | H56 | 2.3° | 0.0° |
| C6 | C7 | C8 | H56 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 177.3° | 180.0° |
| C6 | C7 | C8 | H57 | 2.7° | 0.0° |
| C7 | C8 | C9 | H57 | 180.0° | 180.0° |
| C7 | C8 | C9 | C34 | 7.7° | 0.1° |
| C7 | C8 | C9 | C10 | 172.2° | 180.0° |
| C8 | C7 | C6 | H55 | 2.3° | 0.0° |
| C8 | C9 | C34 | C10 | 179.9° | 179.9° |
| C8 | C9 | C10 | C11 | 177.7° | 180.0° |
| C8 | C9 | C10 | H1 | 2.3° | 0.0° |
| C8 | C9 | C34 | H32 | 180.0° | 90.1° |
| C8 | C9 | C34 | H33 | 60.0° | 150.0° |
| C8 | C9 | C34 | H34 | 60.0° | 29.9° |
| C9 | C8 | C7 | H56 | 2.6° | 0.0° |
| C34 | C9 | C10 | C11 | 2.2° | 0.1° |
| C34 | C9 | C10 | H1 | 177.8° | 180.0° |
| C9 | C34 | H32 | H33 | 120.0° | 120.0° |
| C9 | C34 | H32 | H34 | 120.0° | 120.0° |
| C9 | C34 | H33 | H34 | 120.0° | 120.1° |
| C34 | C9 | C8 | H57 | 172.3° | 180.0° |
| C9 | C10 | C11 | H1 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 177.0° | 180.0° |
| C9 | C10 | C11 | H2 | 3.1° | 0.0° |
| C10 | C9 | C34 | H32 | 0.1° | 90.0° |
| C10 | C9 | C34 | H33 | 119.9° | 29.9° |
| C10 | C9 | C34 | H34 | 120.1° | 150.0° |
| C10 | C9 | C8 | H57 | 7.8° | 0.0° |
| C10 | C11 | C12 | H2 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 177.5° | 180.0° |
| C10 | C11 | C12 | H3 | 2.5° | 0.0° |
| C11 | C12 | C13 | H3 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 179.8° | 180.0° |
| C11 | C12 | C13 | C35 | 1.0° | 0.0° |
| C12 | C11 | C10 | H1 | 3.0° | 0.0° |
| C12 | C13 | C14 | C35 | 178.7° | 179.9° |
| C12 | C13 | C14 | C15 | 174.0° | 180.0° |
| C13 | C12 | C11 | H2 | 2.5° | 0.0° |
| C12 | C13 | C14 | H4 | 6.0° | 0.0° |
| C12 | C13 | C35 | H35 | 180.0° | 90.0° |
| C12 | C13 | C35 | H36 | 60.0° | 150.0° |
| C12 | C13 | C35 | H37 | 60.0° | 30.0° |
| C13 | C14 | C15 | H4 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 176.8° | 180.0° |
| C14 | C13 | C12 | H3 | 0.2° | 0.0° |
| C13 | C14 | C15 | H5 | 3.1° | 0.0° |
| C14 | C13 | C35 | H35 | 1.3° | 90.0° |
| C14 | C13 | C35 | H36 | 121.3° | 29.9° |
| C14 | C13 | C35 | H37 | 118.7° | 150.0° |
| C35 | C13 | C14 | C15 | 4.7° | 0.1° |
| C35 | C13 | C12 | H3 | 179.0° | 179.9° |
| C35 | C13 | C14 | H4 | 175.3° | 180.0° |
| C13 | C35 | H35 | H36 | 120.0° | 120.0° |
| C13 | C35 | H35 | H37 | 120.0° | 120.0° |
| C13 | C35 | H36 | H37 | 120.0° | 120.0° |
| C14 | C15 | C16 | H5 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 173.3° | 180.0° |
| C14 | C15 | C16 | H6 | 6.7° | 0.0° |
| C15 | C16 | C17 | H6 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 173.2° | 180.0° |
| C16 | C15 | C14 | H4 | 3.2° | 0.0° |
| C15 | C16 | C17 | H7 | 6.8° | 0.1° |
| C16 | C17 | C18 | C36 | 8.8° | 0.0° |
| C16 | C17 | C18 | H7 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 166.3° | 180.0° |
| C17 | C16 | C15 | H5 | 6.7° | 0.1° |
| C36 | C18 | C17 | C19 | 175.1° | 180.0° |
| C36 | C18 | C19 | C20 | 9.4° | 0.0° |
| C36 | C18 | C17 | H7 | 171.2° | 179.9° |
| C36 | C18 | C19 | H8 | 170.7° | 180.0° |
| C18 | C36 | H38 | H39 | 120.0° | 120.0° |
| C18 | C36 | H38 | H40 | 120.0° | 120.0° |
| C18 | C36 | H39 | H40 | 120.0° | 120.0° |
| C17 | C18 | C19 | C20 | 165.9° | 180.0° |
| C18 | C17 | C16 | H6 | 6.8° | 0.0° |
| C17 | C18 | C19 | H8 | 14.0° | 0.0° |
| C17 | C18 | C36 | H38 | 180.0° | 90.0° |
| C17 | C18 | C36 | H39 | 60.0° | 150.0° |
| C17 | C18 | C36 | H40 | 60.0° | 30.0° |
| C18 | C19 | C20 | H8 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 177.6° | 180.0° |
| C19 | C18 | C17 | H7 | 13.7° | 0.1° |
| C18 | C19 | C20 | H11 | 2.4° | 0.0° |
| C19 | C18 | C36 | H38 | 4.8° | 90.0° |
| C19 | C18 | C36 | H39 | 115.2° | 30.0° |
| C19 | C18 | C36 | H40 | 124.8° | 150.0° |
| C19 | C20 | C21 | H11 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 172.7° | 179.9° |
| C19 | C20 | C21 | H12 | 7.3° | 0.0° |
| C20 | C21 | C22 | C37 | 4.1° | 0.0° |
| C20 | C21 | C22 | H12 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 177.7° | 180.0° |
| C21 | C20 | C19 | H8 | 2.4° | 0.0° |
| C37 | C22 | C21 | C23 | 178.2° | 180.0° |
| C37 | C22 | C23 | C24 | 1.0° | 0.1° |
| C37 | C22 | C21 | H12 | 175.9° | 180.0° |
| C37 | C22 | C23 | H13 | 179.0° | 180.0° |
| C22 | C37 | H41 | H42 | 120.0° | 120.0° |
| C22 | C37 | H41 | H43 | 120.0° | 120.0° |
| C22 | C37 | H42 | H43 | 120.0° | 120.0° |
| C21 | C22 | C23 | C24 | 177.3° | 179.9° |
| C22 | C21 | C20 | H11 | 7.4° | 0.1° |
| C21 | C22 | C23 | H13 | 2.7° | 0.0° |
| C21 | C22 | C37 | H41 | 180.0° | 90.0° |
| C21 | C22 | C37 | H42 | 60.0° | 149.9° |
| C21 | C22 | C37 | H43 | 60.0° | 30.0° |
| C22 | C23 | C24 | H13 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 178.8° | 180.0° |
| C23 | C22 | C21 | H12 | 2.3° | 0.0° |
| C22 | C23 | C24 | H14 | 1.2° | 0.0° |
| C23 | C22 | C37 | H41 | 1.7° | 90.0° |
| C23 | C22 | C37 | H42 | 118.2° | 30.1° |
| C23 | C22 | C37 | H43 | 121.8° | 150.0° |
| C23 | C24 | C25 | H14 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 178.4° | 179.9° |
| C23 | C24 | C25 | H15 | 1.6° | 0.0° |
| C24 | C25 | C26 | H15 | 180.0° | 180.0° |
| C24 | C25 | C26 | C38 | 7.5° | 0.0° |
| C24 | C25 | C26 | C27 | 175.0° | 180.0° |
| C25 | C24 | C23 | H13 | 1.2° | 0.1° |
| C25 | C26 | C38 | C27 | 177.7° | 180.0° |
| C25 | C26 | C27 | C28 | 110.0° | 95.0° |
| C26 | C25 | C24 | H14 | 1.7° | 0.0° |
| C25 | C26 | C27 | H16 | 129.6° | 145.1° |
| C25 | C26 | C27 | H17 | 10.4° | 25.0° |
| C25 | C26 | C38 | H44 | 180.0° | 90.0° |
| C25 | C26 | C38 | H45 | 60.0° | 150.0° |
| C25 | C26 | C38 | H46 | 60.0° | 30.0° |
| C38 | C26 | C27 | C28 | 67.8° | 85.0° |
| C38 | C26 | C25 | H15 | 172.5° | 180.0° |
| C38 | C26 | C27 | H16 | 52.6° | 34.9° |
| C38 | C26 | C27 | H17 | 171.8° | 155.0° |
| C26 | C38 | H44 | H45 | 120.0° | 120.0° |
| C26 | C38 | H44 | H46 | 120.0° | 119.9° |
| C26 | C38 | H45 | H46 | 120.0° | 120.0° |
| C26 | C27 | C28 | H16 | 120.4° | 119.9° |
| C26 | C27 | C28 | H17 | 120.4° | 120.0° |
| C26 | C27 | C28 | C29 | 175.5° | 180.0° |
| C27 | C26 | C25 | H15 | 5.0° | 0.0° |
| C26 | C27 | H16 | H17 | 118.8° | 120.0° |
| C26 | C27 | C28 | H18 | 55.2° | 60.0° |
| C26 | C27 | C28 | H19 | 64.3° | 60.0° |
| C27 | C26 | C38 | H44 | 2.3° | 90.0° |
| C27 | C26 | C38 | H45 | 117.7° | 30.0° |
| C27 | C26 | C38 | H46 | 122.3° | 150.0° |
| C27 | C28 | C29 | H18 | 120.3° | 120.0° |
| C27 | C28 | C29 | H19 | 120.3° | 120.0° |
| C27 | C28 | C29 | C39 | 164.8° | 121.5° |
| C28 | C27 | H16 | H17 | 118.8° | 120.1° |
| C27 | C28 | H18 | H19 | 119.2° | 120.0° |
| C27 | C28 | C29 | H20 | 15.2° | 58.5° |
| C28 | C29 | C39 | H20 | 180.0° | 180.0° |
| C28 | C29 | C39 | C41 | 2.2° | 174.2° |
| C28 | C29 | C39 | C40 | 179.2° | 5.9° |
| C29 | C28 | C27 | H16 | 64.1° | 60.1° |
| C29 | C28 | C27 | H17 | 55.1° | 60.0° |
| C29 | C28 | H18 | H19 | 119.2° | 120.0° |
| C29 | C39 | C41 | C40 | 178.7° | 180.0° |
| C39 | C29 | C28 | H18 | 44.5° | 1.5° |
| C39 | C29 | C28 | H19 | 75.0° | 118.5° |
| C29 | C39 | C40 | H49 | 180.0° | 84.8° |
| C29 | C39 | C40 | H50 | 60.0° | 155.2° |
| C29 | C39 | C40 | H51 | 60.0° | 35.2° |
| C29 | C39 | C41 | H52 | 180.0° | 0.0° |
| C29 | C39 | C41 | H53 | 60.0° | 120.0° |
| C29 | C39 | C41 | H54 | 60.0° | 120.0° |
| C41 | C39 | C29 | H20 | 177.8° | 5.9° |
| C41 | C39 | C40 | H49 | 1.3° | 95.2° |
| C41 | C39 | C40 | H50 | 121.3° | 24.7° |
| C41 | C39 | C40 | H51 | 118.7° | 144.8° |
| C39 | C41 | H52 | H53 | 120.0° | 120.0° |
| C39 | C41 | H52 | H54 | 120.0° | 120.0° |
| C39 | C41 | H53 | H54 | 120.0° | 119.9° |
| C40 | C39 | C29 | H20 | 0.8° | 174.1° |
| C39 | C40 | H49 | H50 | 120.0° | 119.9° |
| C39 | C40 | H49 | H51 | 120.0° | 120.0° |
| C39 | C40 | H50 | H51 | 120.0° | 120.0° |
| C40 | C39 | C41 | H52 | 1.3° | 180.0° |
| C40 | C39 | C41 | H53 | 118.7° | 59.9° |
| C40 | C39 | C41 | H54 | 121.3° | 60.0° |
| H1 | C10 | C11 | H2 | 176.9° | 180.0° |
| H2 | C11 | C12 | H3 | 177.5° | 179.9° |
| H4 | C14 | C15 | H5 | 176.9° | 179.9° |
| H5 | C15 | C16 | H6 | 173.3° | 179.9° |
| H6 | C16 | C17 | H7 | 173.2° | 179.9° |
| H8 | C19 | C20 | H11 | 177.6° | 180.0° |
| H9 | C2 | C3 | H21 | 167.8° | 180.0° |
| H9 | C2 | C3 | H22 | 48.5° | 60.0° |
| H10 | C2 | C3 | H21 | 74.2° | 60.0° |
| H10 | C2 | C3 | H22 | 166.6° | 180.0° |
| H11 | C20 | C21 | H12 | 172.6° | 180.0° |
| H13 | C23 | C24 | H14 | 178.8° | 179.9° |
| H14 | C24 | C25 | H15 | 178.4° | NaN° |
| H16 | C27 | C28 | H18 | 175.6° | 179.9° |
| H16 | C27 | C28 | H19 | 56.1° | 59.9° |
| H17 | C27 | C28 | H18 | 65.2° | 60.0° |
| H17 | C27 | C28 | H19 | 175.3° | 180.0° |
| H18 | C28 | C29 | H20 | 135.5° | 178.5° |
| H19 | C28 | C29 | H20 | 105.1° | 61.5° |
| H21 | C3 | C4 | H47 | 156.5° | 179.9° |
| H21 | C3 | C4 | H48 | 37.8° | 59.9° |
| H22 | C3 | C4 | H47 | 84.2° | 60.0° |
| H22 | C3 | C4 | H48 | 157.1° | 180.0° |
| H23 | C30 | H24 | H25 | 120.0° | 119.9° |
| H26 | C31 | H27 | H28 | 120.0° | 120.1° |
| H29 | C33 | H30 | H31 | 120.0° | 120.0° |
| H32 | C34 | H33 | H34 | 120.0° | 119.9° |
| H35 | C35 | H36 | H37 | 120.0° | 120.0° |
| H38 | C36 | H39 | H40 | 120.0° | 120.0° |
| H41 | C37 | H42 | H43 | 120.0° | 120.0° |
| H44 | C38 | H45 | H46 | 120.0° | 120.0° |
| H49 | C40 | H50 | H51 | 120.0° | 120.0° |
| H52 | C41 | H53 | H54 | 120.0° | 120.0° |
| H55 | C6 | C7 | H56 | 177.7° | 180.0° |
| H56 | C7 | C8 | H57 | 177.4° | 180.0° |
