K3I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.38Å | 1.40Å | |
| C20 | C13 | sing | 1.51Å | 1.48Å | |
| C13 | C12 | sing | 1.40Å | 1.40Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | |
| C11 | C10 | sing | 1.40Å | 1.38Å | |
| C10 | C9 | doub | 1.37Å | 1.41Å | |
| C9 | C19 | sing | 1.51Å | 1.49Å | |
| C9 | C8 | sing | 1.41Å | 1.40Å | |
| C8 | C7 | doub | 1.36Å | 1.37Å | |
| C18 | C5 | sing | 1.51Å | 1.50Å | |
| C7 | C6 | sing | 1.42Å | 1.45Å | |
| C5 | C6 | doub | 1.32Å | 1.35Å | |
| C5 | C4 | sing | 1.50Å | 1.50Å | |
| C6 | C1 | sing | 1.50Å | 1.52Å | |
| C16 | C1 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | C17 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.08Å | 1.08Å | |
| C8 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H23 | sing | 1.08Å | 1.08Å | |
| C11 | H24 | sing | 1.08Å | 1.08Å | |
| C12 | H25 | sing | 1.08Å | 1.08Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.40Å | 17.64Å | |
| C15 | C21 | doub | 1.38Å | 0.00Å | |
| C21 | C22 | sing | 1.40Å | 0.00Å | |
| C22 | C23 | doub | 1.38Å | 0.00Å | |
| C23 | C24 | sing | 1.51Å | 0.00Å | |
| C23 | C25 | sing | 1.40Å | 0.00Å | |
| C25 | C26 | doub | 1.38Å | 0.00Å | |
| C26 | C27 | sing | 1.40Å | 0.00Å | |
| C27 | C28 | doub | 1.37Å | 0.00Å | |
| C28 | C29 | sing | 1.41Å | 0.00Å | |
| C28 | C30 | sing | 1.51Å | 0.00Å | |
| C29 | C31 | doub | 1.36Å | 0.00Å | |
| C31 | C32 | sing | 1.42Å | 0.00Å | |
| C32 | C33 | doub | 1.32Å | 0.00Å | |
| C33 | C34 | sing | 1.50Å | 0.00Å | |
| C34 | C35 | sing | 1.53Å | 0.00Å | |
| C35 | C36 | sing | 1.53Å | 0.00Å | |
| C36 | C37 | sing | 1.53Å | 0.00Å | |
| C37 | C32 | sing | 1.50Å | 0.00Å | |
| C37 | C38 | sing | 1.53Å | 0.00Å | |
| C37 | C39 | sing | 1.53Å | 0.00Å | |
| C35 | O1 | sing | 1.43Å | 0.00Å | |
| C33 | C41 | sing | 1.51Å | 0.00Å | |
| C15 | H1 | sing | 1.08Å | 0.00Å | |
| C21 | H11 | sing | 1.08Å | 0.00Å | |
| C22 | H26 | sing | 1.08Å | 0.00Å | |
| C24 | H31 | sing | 1.09Å | 0.00Å | |
| C24 | H32 | sing | 1.09Å | 0.00Å | |
| C24 | H33 | sing | 1.09Å | 0.00Å | |
| C25 | H34 | sing | 1.08Å | 0.00Å | |
| C26 | H35 | sing | 1.08Å | 0.00Å | |
| C27 | H36 | sing | 1.08Å | 0.00Å | |
| C29 | H37 | sing | 1.08Å | 0.00Å | |
| C30 | H38 | sing | 1.09Å | 0.00Å | |
| C30 | H39 | sing | 1.09Å | 0.00Å | |
| C30 | H40 | sing | 1.09Å | 0.00Å | |
| C31 | H41 | sing | 1.08Å | 0.00Å | |
| C34 | H42 | sing | 1.09Å | 0.00Å | |
| C34 | H43 | sing | 1.09Å | 0.00Å | |
| C35 | H44 | sing | 1.09Å | 0.00Å | |
| C36 | H45 | sing | 1.09Å | 0.00Å | |
| C36 | H46 | sing | 1.09Å | 0.00Å | |
| C38 | H47 | sing | 1.09Å | 0.00Å | |
| C38 | H48 | sing | 1.09Å | 0.00Å | |
| C38 | H49 | sing | 1.09Å | 0.00Å | |
| C39 | H50 | sing | 1.09Å | 0.00Å | |
| C39 | H51 | sing | 1.09Å | 0.00Å | |
| C39 | H52 | sing | 1.09Å | 0.00Å | |
| O1 | H53 | sing | 0.97Å | 0.00Å | |
| C41 | H54 | sing | 1.09Å | 0.00Å | |
| C41 | H55 | sing | 1.09Å | 0.00Å | |
| C41 | H56 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C20 | 118.3° | 120.0° |
| C14 | C13 | C12 | 123.2° | 120.0° |
| C13 | C14 | H30 | 119.1° | 120.0° |
| C13 | C14 | C15 | 121.8° | 120.0° |
| C20 | C13 | C12 | 118.4° | 120.0° |
| C13 | C20 | H27 | 109.5° | 109.5° |
| C13 | C20 | H28 | 109.5° | 109.4° |
| C13 | C20 | H29 | 109.5° | 109.5° |
| C13 | C12 | C11 | 129.0° | 120.0° |
| C13 | C12 | H25 | 115.5° | 120.0° |
| C12 | C11 | C10 | 126.0° | 120.0° |
| C12 | C11 | H24 | 117.0° | 120.0° |
| C11 | C12 | H25 | 115.5° | 120.0° |
| C11 | C10 | C9 | 129.2° | 120.0° |
| C11 | C10 | H23 | 115.4° | 120.1° |
| C10 | C11 | H24 | 117.0° | 120.0° |
| C10 | C9 | C19 | 116.9° | 120.0° |
| C10 | C9 | C8 | 122.1° | 120.0° |
| C9 | C10 | H23 | 115.4° | 120.0° |
| C19 | C9 | C8 | 121.0° | 120.0° |
| C9 | C19 | H20 | 109.5° | 109.5° |
| C9 | C19 | H21 | 109.4° | 109.5° |
| C9 | C19 | H22 | 109.5° | 109.5° |
| C9 | C8 | C7 | 125.7° | 120.0° |
| C9 | C8 | H19 | 117.2° | 120.0° |
| C8 | C7 | C6 | 128.4° | 120.0° |
| C8 | C7 | H18 | 115.8° | 120.0° |
| C7 | C8 | H19 | 117.2° | 120.0° |
| C18 | C5 | C6 | 124.4° | 118.1° |
| C18 | C5 | C4 | 113.9° | 118.2° |
| C5 | C18 | H12 | 109.5° | 109.4° |
| C5 | C18 | H13 | 109.4° | 109.4° |
| C5 | C18 | H14 | 109.5° | 109.5° |
| C7 | C6 | C5 | 120.9° | 118.1° |
| C7 | C6 | C1 | 118.7° | 118.1° |
| C6 | C7 | H18 | 115.8° | 120.0° |
| C6 | C5 | C4 | 121.7° | 123.7° |
| C5 | C6 | C1 | 120.4° | 123.7° |
| C5 | C4 | C3 | 114.2° | 110.1° |
| C5 | C4 | H5 | 108.3° | 109.3° |
| C5 | C4 | H6 | 108.3° | 109.2° |
| C6 | C1 | C16 | 110.4° | 109.4° |
| C6 | C1 | C17 | 109.3° | 109.3° |
| C6 | C1 | C2 | 112.8° | 110.1° |
| C16 | C1 | C17 | 108.4° | 109.4° |
| C16 | C1 | C2 | 107.0° | 109.3° |
| C1 | C16 | H15 | 109.5° | 109.5° |
| C1 | C16 | H16 | 109.5° | 109.5° |
| C1 | C16 | H17 | 109.5° | 109.5° |
| C4 | C3 | C2 | 110.6° | 108.5° |
| C4 | C3 | O3 | 109.5° | 109.6° |
| C3 | C4 | H5 | 108.3° | 109.3° |
| C3 | C4 | H6 | 108.3° | 109.4° |
| C4 | C3 | H7 | 109.1° | 109.6° |
| C17 | C1 | C2 | 108.7° | 109.4° |
| C1 | C17 | H2 | 109.5° | 109.5° |
| C1 | C17 | H3 | 109.5° | 109.5° |
| C1 | C17 | H4 | 109.5° | 109.5° |
| C1 | C2 | C3 | 114.4° | 108.6° |
| C1 | C2 | H9 | 108.3° | 109.6° |
| C1 | C2 | H10 | 108.2° | 109.8° |
| C2 | C3 | O3 | 108.1° | 109.6° |
| C2 | C3 | H7 | 109.1° | 109.8° |
| C3 | C2 | H9 | 108.2° | 109.6° |
| C3 | C2 | H10 | 108.3° | 109.6° |
| O3 | C3 | H7 | 110.4° | 109.6° |
| C3 | O3 | H8 | 109.5° | 114.0° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H2 | C17 | H4 | 109.5° | 109.5° |
| H3 | C17 | H4 | 109.4° | 109.4° |
| H5 | C4 | H6 | 109.5° | 109.4° |
| H9 | C2 | H10 | 109.4° | 109.6° |
| H12 | C18 | H13 | 109.5° | 109.5° |
| H12 | C18 | H14 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.4° |
| H15 | C16 | H17 | 109.4° | 109.4° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.5° | 109.4° |
| H20 | C19 | H22 | 109.5° | 109.4° |
| H21 | C19 | H22 | 109.5° | 109.5° |
| H27 | C20 | H28 | 109.5° | 109.5° |
| H27 | C20 | H29 | 109.4° | 109.5° |
| H28 | C20 | H29 | 109.5° | 109.5° |
| H30 | C14 | C15 | 119.1° | 120.0° |
| C14 | C15 | C21 | 90.0° | 120.0° |
| C14 | C15 | H1 | 90.0° | 120.0° |
| C15 | C21 | C22 | 90.0° | 120.0° |
| C21 | C15 | H1 | 90.0° | 120.0° |
| C15 | C21 | H11 | 90.0° | 120.0° |
| C21 | C22 | C23 | 90.0° | 120.0° |
| C22 | C21 | H11 | 90.0° | 120.1° |
| C21 | C22 | H26 | 90.0° | 120.0° |
| C22 | C23 | C24 | 90.0° | 120.0° |
| C22 | C23 | C25 | 90.0° | 120.0° |
| C23 | C22 | H26 | 90.0° | 120.0° |
| C24 | C23 | C25 | 90.0° | 120.0° |
| C23 | C24 | H31 | 90.0° | 109.4° |
| C23 | C24 | H32 | 90.0° | 109.5° |
| C23 | C24 | H33 | 90.0° | 109.5° |
| C23 | C25 | C26 | 90.0° | 120.0° |
| C23 | C25 | H34 | 90.0° | 120.0° |
| C25 | C26 | C27 | 90.0° | 120.0° |
| C26 | C25 | H34 | 90.0° | 120.0° |
| C25 | C26 | H35 | 90.0° | 120.0° |
| C26 | C27 | C28 | 90.0° | 120.0° |
| C27 | C26 | H35 | 90.0° | 120.0° |
| C26 | C27 | H36 | 90.0° | 120.0° |
| C27 | C28 | C29 | 90.0° | 120.0° |
| C27 | C28 | C30 | 90.0° | 120.0° |
| C28 | C27 | H36 | 90.0° | 120.0° |
| C29 | C28 | C30 | 90.0° | 120.0° |
| C28 | C29 | C31 | 90.0° | 120.0° |
| C28 | C29 | H37 | 90.0° | 120.0° |
| C28 | C30 | H38 | 90.0° | 109.5° |
| C28 | C30 | H39 | 90.0° | 109.5° |
| C28 | C30 | H40 | 90.0° | 109.5° |
| C29 | C31 | C32 | 90.0° | 120.0° |
| C31 | C29 | H37 | 90.0° | 120.0° |
| C29 | C31 | H41 | 90.0° | 120.0° |
| C31 | C32 | C33 | 90.0° | 118.2° |
| C31 | C32 | C37 | 90.0° | 118.1° |
| C32 | C31 | H41 | 90.0° | 120.0° |
| C32 | C33 | C34 | 90.0° | 123.7° |
| C33 | C32 | C37 | 90.0° | 123.7° |
| C32 | C33 | C41 | 90.0° | 118.1° |
| C33 | C34 | C35 | 90.0° | 110.1° |
| C34 | C33 | C41 | 90.0° | 118.1° |
| C33 | C34 | H42 | 90.0° | 109.3° |
| C33 | C34 | H43 | 90.0° | 109.4° |
| C34 | C35 | C36 | 90.0° | 108.5° |
| C34 | C35 | O1 | 90.0° | 109.6° |
| C35 | C34 | H42 | 90.0° | 109.4° |
| C35 | C34 | H43 | 90.0° | 109.4° |
| C34 | C35 | H44 | 90.0° | 109.6° |
| C35 | C36 | C37 | 90.0° | 108.4° |
| C36 | C35 | O1 | 90.0° | 109.7° |
| C36 | C35 | H44 | 90.0° | 109.6° |
| C35 | C36 | H45 | 90.0° | 109.6° |
| C35 | C36 | H46 | 90.0° | 109.6° |
| C36 | C37 | C32 | 90.0° | 110.0° |
| C36 | C37 | C38 | 90.0° | 109.4° |
| C36 | C37 | C39 | 90.0° | 109.4° |
| C37 | C36 | H45 | 90.0° | 109.9° |
| C37 | C36 | H46 | 90.0° | 109.6° |
| C32 | C37 | C38 | 90.0° | 109.7° |
| C32 | C37 | C39 | 90.0° | 109.1° |
| C38 | C37 | C39 | 90.0° | 109.2° |
| C37 | C38 | H47 | 90.0° | 109.4° |
| C37 | C38 | H48 | 90.0° | 109.5° |
| C37 | C38 | H49 | 90.0° | 109.5° |
| C37 | C39 | H50 | 90.0° | 109.5° |
| C37 | C39 | H51 | 90.0° | 109.4° |
| C37 | C39 | H52 | 90.0° | 109.5° |
| O1 | C35 | H44 | 90.0° | 109.8° |
| C35 | O1 | H53 | 90.0° | 114.0° |
| C33 | C41 | H54 | 90.0° | 109.5° |
| C33 | C41 | H55 | 90.0° | 109.5° |
| C33 | C41 | H56 | 90.0° | 109.5° |
| H31 | C24 | H32 | 90.0° | 109.5° |
| H31 | C24 | H33 | 90.0° | 109.5° |
| H32 | C24 | H33 | 90.0° | 109.5° |
| H38 | C30 | H39 | 90.0° | 109.4° |
| H38 | C30 | H40 | 90.0° | 109.5° |
| H39 | C30 | H40 | 90.0° | 109.5° |
| H42 | C34 | H43 | 90.0° | 109.3° |
| H45 | C36 | H46 | 90.0° | 109.8° |
| H47 | C38 | H48 | 90.0° | 109.5° |
| H47 | C38 | H49 | 90.0° | 109.5° |
| H48 | C38 | H49 | 90.0° | 109.5° |
| H50 | C39 | H51 | 90.0° | 109.5° |
| H50 | C39 | H52 | 90.0° | 109.4° |
| H51 | C39 | H52 | 90.0° | 109.5° |
| H54 | C41 | H55 | 90.0° | 109.5° |
| H54 | C41 | H56 | 90.0° | 109.5° |
| H55 | C41 | H56 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C20 | C12 | 178.4° | 180.0° |
| C14 | C13 | C12 | C11 | 162.7° | 180.0° |
| C14 | C13 | C12 | H25 | 17.3° | 0.1° |
| C14 | C13 | C20 | H27 | 180.0° | 90.0° |
| C14 | C13 | C20 | H28 | 60.0° | 30.0° |
| C14 | C13 | C20 | H29 | 60.0° | 149.9° |
| C13 | C14 | H30 | C15 | 180.0° | 180.0° |
| C13 | C14 | C15 | C21 | 90.0° | 180.0° |
| C13 | C14 | C15 | H1 | 90.0° | 0.0° |
| C20 | C13 | C12 | C11 | 15.6° | 0.0° |
| C20 | C13 | C12 | H25 | 164.4° | 180.0° |
| C13 | C20 | H27 | H28 | 120.0° | 120.0° |
| C13 | C20 | H27 | H29 | 120.0° | 120.0° |
| C13 | C20 | H28 | H29 | 120.0° | 120.0° |
| C20 | C13 | C14 | H30 | 148.7° | 180.0° |
| C20 | C13 | C14 | C15 | 31.3° | 0.0° |
| C13 | C12 | C11 | H25 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 170.6° | 180.0° |
| C13 | C12 | C11 | H24 | 9.4° | 0.0° |
| C12 | C13 | C20 | H27 | 1.6° | 90.1° |
| C12 | C13 | C20 | H28 | 121.6° | 150.0° |
| C12 | C13 | C20 | H29 | 118.4° | 30.0° |
| C12 | C13 | C14 | H30 | 33.0° | 0.1° |
| C12 | C13 | C14 | C15 | 147.0° | 180.0° |
| C12 | C11 | C10 | H24 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 179.8° | 180.0° |
| C12 | C11 | C10 | H23 | 0.2° | 0.1° |
| C11 | C10 | C9 | H23 | 180.0° | 180.0° |
| C11 | C10 | C9 | C19 | 2.4° | 0.0° |
| C11 | C10 | C9 | C8 | 177.1° | 180.0° |
| C10 | C11 | C12 | H25 | 9.4° | 0.1° |
| C10 | C9 | C19 | C8 | 179.5° | 180.0° |
| C10 | C9 | C8 | C7 | 179.5° | 180.0° |
| C10 | C9 | C8 | H19 | 0.5° | 0.0° |
| C10 | C9 | C19 | H20 | 180.0° | 90.0° |
| C10 | C9 | C19 | H21 | 60.0° | 29.9° |
| C10 | C9 | C19 | H22 | 60.0° | 150.0° |
| C9 | C10 | C11 | H24 | 0.2° | 0.0° |
| C19 | C9 | C8 | C7 | 0.0° | 0.0° |
| C19 | C9 | C8 | H19 | 180.0° | 180.0° |
| C9 | C19 | H20 | H21 | 120.0° | 120.0° |
| C9 | C19 | H20 | H22 | 120.0° | 120.0° |
| C9 | C19 | H21 | H22 | 120.0° | 120.1° |
| C19 | C9 | C10 | H23 | 177.6° | 180.0° |
| C9 | C8 | C7 | H19 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 175.8° | 174.5° |
| C9 | C8 | C7 | H18 | 4.2° | 5.5° |
| C8 | C9 | C19 | H20 | 0.5° | 90.0° |
| C8 | C9 | C19 | H21 | 120.5° | 150.1° |
| C8 | C9 | C19 | H22 | 119.5° | 30.0° |
| C8 | C9 | C10 | H23 | 2.9° | 0.0° |
| C8 | C7 | C6 | H18 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 82.6° | 57.1° |
| C8 | C7 | C6 | C1 | 99.3° | 123.3° |
| C18 | C5 | C6 | C7 | 32.0° | 0.7° |
| C18 | C5 | C6 | C4 | 179.8° | 180.0° |
| C18 | C5 | C6 | C1 | 149.9° | 179.6° |
| C18 | C5 | C4 | C3 | 176.9° | 162.8° |
| C18 | C5 | C4 | H5 | 56.2° | 42.6° |
| C18 | C5 | C4 | H6 | 62.5° | 77.0° |
| C5 | C18 | H12 | H13 | 120.0° | 120.0° |
| C5 | C18 | H12 | H14 | 120.0° | 120.0° |
| C5 | C18 | H13 | H14 | 120.0° | 120.0° |
| C7 | C6 | C5 | C1 | 178.1° | 179.6° |
| C7 | C6 | C5 | C4 | 147.8° | 179.3° |
| C7 | C6 | C1 | C16 | 74.2° | 42.4° |
| C7 | C6 | C1 | C17 | 45.0° | 77.3° |
| C7 | C6 | C1 | C2 | 166.1° | 162.5° |
| C6 | C7 | C8 | H19 | 4.2° | 5.5° |
| C5 | C6 | C1 | C16 | 107.7° | 137.2° |
| C6 | C5 | C4 | C3 | 3.3° | 17.2° |
| C5 | C6 | C1 | C17 | 133.1° | 103.1° |
| C5 | C6 | C1 | C2 | 12.1° | 17.1° |
| C6 | C5 | C4 | H5 | 124.0° | 137.4° |
| C6 | C5 | C4 | H6 | 117.4° | 103.0° |
| C6 | C5 | C18 | H12 | 180.0° | 93.2° |
| C6 | C5 | C18 | H13 | 60.0° | 146.8° |
| C6 | C5 | C18 | H14 | 60.0° | 26.9° |
| C5 | C6 | C7 | H18 | 97.4° | 122.9° |
| C4 | C5 | C6 | C1 | 30.3° | 0.4° |
| C5 | C4 | C3 | H5 | 120.7° | 120.2° |
| C5 | C4 | C3 | H6 | 120.7° | 120.1° |
| C5 | C4 | C3 | C2 | 38.6° | 49.9° |
| C5 | C4 | C3 | O3 | 157.6° | 169.6° |
| C5 | C4 | H5 | H6 | 117.8° | 119.6° |
| C5 | C4 | C3 | H7 | 81.4° | 70.0° |
| C4 | C5 | C18 | H12 | 0.1° | 86.8° |
| C4 | C5 | C18 | H13 | 120.2° | 33.2° |
| C4 | C5 | C18 | H14 | 119.9° | 153.2° |
| C6 | C1 | C16 | C17 | 119.7° | 119.7° |
| C6 | C1 | C16 | C2 | 123.2° | 120.6° |
| C6 | C1 | C17 | C2 | 123.5° | 120.6° |
| C6 | C1 | C2 | C3 | 31.1° | 49.8° |
| C6 | C1 | C17 | H2 | 180.0° | 60.0° |
| C6 | C1 | C17 | H3 | 60.0° | 180.0° |
| C6 | C1 | C17 | H4 | 60.0° | 60.0° |
| C6 | C1 | C2 | H9 | 151.8° | 69.9° |
| C6 | C1 | C2 | H10 | 89.6° | 169.6° |
| C6 | C1 | C16 | H15 | 180.0° | 64.5° |
| C6 | C1 | C16 | H16 | 60.0° | 175.5° |
| C6 | C1 | C16 | H17 | 60.0° | 55.4° |
| C1 | C6 | C7 | H18 | 80.7° | 56.7° |
| C16 | C1 | C17 | C2 | 116.0° | 119.6° |
| C16 | C1 | C2 | C3 | 152.8° | 170.0° |
| C16 | C1 | C17 | H2 | 59.5° | 59.7° |
| C16 | C1 | C17 | H3 | 179.6° | 60.3° |
| C16 | C1 | C17 | H4 | 60.5° | 179.8° |
| C16 | C1 | C2 | H9 | 86.5° | 50.3° |
| C16 | C1 | C2 | H10 | 32.0° | 70.2° |
| C1 | C16 | H15 | H16 | 120.0° | 120.0° |
| C1 | C16 | H15 | H17 | 120.0° | 120.0° |
| C1 | C16 | H16 | H17 | 120.0° | 120.1° |
| C4 | C3 | C2 | C1 | 55.9° | 68.2° |
| C4 | C3 | C2 | O3 | 119.9° | 119.7° |
| C4 | C3 | C2 | H7 | 120.0° | 119.8° |
| C4 | C3 | O3 | H7 | 120.1° | 120.4° |
| C3 | C4 | H5 | H6 | 117.8° | 119.8° |
| C4 | C3 | O3 | H8 | 180.0° | 60.0° |
| C4 | C3 | C2 | H9 | 176.6° | 51.5° |
| C4 | C3 | C2 | H10 | 64.8° | 171.9° |
| C17 | C1 | C2 | C3 | 90.3° | 70.3° |
| C1 | C17 | H2 | H3 | 120.0° | 120.0° |
| C1 | C17 | H2 | H4 | 120.0° | 120.1° |
| C1 | C17 | H3 | H4 | 120.0° | 120.0° |
| C17 | C1 | C2 | H9 | 30.4° | 170.0° |
| C17 | C1 | C2 | H10 | 149.0° | 49.5° |
| C17 | C1 | C16 | H15 | 60.3° | 175.7° |
| C17 | C1 | C16 | H16 | 59.7° | 55.8° |
| C17 | C1 | C16 | H17 | 179.7° | 64.3° |
| C1 | C2 | C3 | H9 | 120.7° | 119.7° |
| C1 | C2 | C3 | H10 | 120.7° | 119.9° |
| C1 | C2 | C3 | O3 | 175.8° | 172.1° |
| C2 | C1 | C17 | H2 | 56.5° | 179.3° |
| C2 | C1 | C17 | H3 | 63.5° | 59.3° |
| C2 | C1 | C17 | H4 | 176.5° | 60.6° |
| C1 | C2 | C3 | H7 | 64.1° | 51.6° |
| C1 | C2 | H9 | H10 | 117.8° | 120.6° |
| C2 | C1 | C16 | H15 | 56.8° | 56.1° |
| C2 | C1 | C16 | H16 | 176.8° | 63.9° |
| C2 | C1 | C16 | H17 | 63.2° | 176.1° |
| C2 | C3 | O3 | H7 | 119.3° | 120.6° |
| C2 | C3 | C4 | H5 | 82.1° | 170.0° |
| C2 | C3 | C4 | H6 | 159.3° | 70.2° |
| C2 | C3 | O3 | H8 | 59.4° | 179.0° |
| C3 | C2 | H9 | H10 | 117.8° | 120.4° |
| O3 | C3 | C4 | H5 | 37.0° | 70.2° |
| O3 | C3 | C4 | H6 | 81.7° | 49.5° |
| O3 | C3 | C2 | H9 | 63.4° | 68.2° |
| O3 | C3 | C2 | H10 | 55.1° | 52.2° |
| H2 | C17 | H3 | H4 | 120.0° | 120.0° |
| H5 | C4 | C3 | H7 | 157.9° | 50.2° |
| H6 | C4 | C3 | H7 | 39.3° | 169.9° |
| H7 | C3 | O3 | H8 | 59.9° | 60.4° |
| H7 | C3 | C2 | H9 | 56.6° | 171.3° |
| H7 | C3 | C2 | H10 | 175.2° | 68.3° |
| H12 | C18 | H13 | H14 | 120.0° | 120.1° |
| H15 | C16 | H16 | H17 | 120.0° | 119.9° |
| H18 | C7 | C8 | H19 | 175.8° | 174.5° |
| H20 | C19 | H21 | H22 | 120.0° | 119.9° |
| H23 | C10 | C11 | H24 | 179.8° | 180.0° |
| H24 | C11 | C12 | H25 | 170.6° | 180.0° |
| H27 | C20 | H28 | H29 | 120.0° | 120.1° |
| H30 | C14 | C15 | C21 | 90.0° | 0.0° |
| H30 | C14 | C15 | H1 | 90.0° | 180.0° |
| C14 | C15 | C21 | H1 | 90.0° | 180.0° |
| C14 | C15 | C21 | C22 | 90.0° | 180.0° |
| C14 | C15 | C21 | H11 | 90.0° | 0.1° |
| C15 | C21 | C22 | H11 | 90.0° | 179.9° |
| C15 | C21 | C22 | C23 | 90.0° | 180.0° |
| C15 | C21 | C22 | H26 | 90.0° | 0.0° |
| C21 | C22 | C23 | H26 | 90.0° | 180.0° |
| C21 | C22 | C23 | C24 | 90.0° | 180.0° |
| C21 | C22 | C23 | C25 | 90.0° | 0.0° |
| C22 | C21 | C15 | H1 | 90.0° | 0.0° |
| C22 | C23 | C24 | C25 | 90.0° | 180.0° |
| C22 | C23 | C25 | C26 | 90.0° | 180.0° |
| C23 | C22 | C21 | H11 | 90.0° | 0.1° |
| C22 | C23 | C24 | H31 | 90.0° | 89.9° |
| C22 | C23 | C24 | H32 | 90.0° | 150.0° |
| C22 | C23 | C24 | H33 | 90.0° | 30.0° |
| C22 | C23 | C25 | H34 | 90.0° | 0.0° |
| C24 | C23 | C25 | C26 | 90.0° | 0.0° |
| C24 | C23 | C22 | H26 | 90.0° | 0.0° |
| C23 | C24 | H31 | H32 | 90.0° | 120.0° |
| C23 | C24 | H31 | H33 | 90.0° | 120.0° |
| C23 | C24 | H32 | H33 | 90.0° | 120.0° |
| C24 | C23 | C25 | H34 | 90.0° | 180.0° |
| C23 | C25 | C26 | H34 | 90.0° | 179.9° |
| C23 | C25 | C26 | C27 | 90.0° | 180.0° |
| C25 | C23 | C22 | H26 | 90.0° | 180.0° |
| C25 | C23 | C24 | H31 | 90.0° | 90.0° |
| C25 | C23 | C24 | H32 | 90.0° | 30.0° |
| C25 | C23 | C24 | H33 | 90.0° | 150.0° |
| C23 | C25 | C26 | H35 | 90.0° | 0.1° |
| C25 | C26 | C27 | H35 | 90.0° | 179.9° |
| C25 | C26 | C27 | C28 | 90.0° | 180.0° |
| C25 | C26 | C27 | H36 | 90.0° | 0.0° |
| C26 | C27 | C28 | H36 | 90.0° | 180.0° |
| C26 | C27 | C28 | C29 | 90.0° | 180.0° |
| C26 | C27 | C28 | C30 | 90.0° | 0.0° |
| C27 | C26 | C25 | H34 | 90.0° | 0.1° |
| C27 | C28 | C29 | C30 | 90.0° | 180.0° |
| C27 | C28 | C29 | C31 | 90.0° | 180.0° |
| C28 | C27 | C26 | H35 | 90.0° | 0.0° |
| C27 | C28 | C29 | H37 | 90.0° | 0.0° |
| C27 | C28 | C30 | H38 | 90.0° | 90.0° |
| C27 | C28 | C30 | H39 | 90.0° | 150.0° |
| C27 | C28 | C30 | H40 | 90.0° | 30.0° |
| C28 | C29 | C31 | H37 | 90.0° | 179.9° |
| C28 | C29 | C31 | C32 | 90.0° | 176.8° |
| C29 | C28 | C27 | H36 | 90.0° | 0.0° |
| C29 | C28 | C30 | H38 | 90.0° | 90.0° |
| C29 | C28 | C30 | H39 | 90.0° | 29.9° |
| C29 | C28 | C30 | H40 | 90.0° | 150.0° |
| C28 | C29 | C31 | H41 | 90.0° | 3.3° |
| C30 | C28 | C29 | C31 | 90.0° | 0.0° |
| C30 | C28 | C27 | H36 | 90.0° | 180.0° |
| C30 | C28 | C29 | H37 | 90.0° | 180.0° |
| C28 | C30 | H38 | H39 | 90.0° | 120.0° |
| C28 | C30 | H38 | H40 | 90.0° | 120.0° |
| C28 | C30 | H39 | H40 | 90.0° | 120.0° |
| C29 | C31 | C32 | H41 | 90.0° | 180.0° |
| C29 | C31 | C32 | C33 | 90.0° | 57.6° |
| C29 | C31 | C32 | C37 | 90.0° | 122.2° |
| C31 | C32 | C33 | C37 | 90.0° | 179.8° |
| C31 | C32 | C33 | C34 | 90.0° | 179.6° |
| C31 | C32 | C37 | C36 | 90.0° | 162.6° |
| C31 | C32 | C37 | C38 | 90.0° | 77.0° |
| C31 | C32 | C37 | C39 | 90.0° | 42.6° |
| C31 | C32 | C33 | C41 | 90.0° | 0.5° |
| C32 | C31 | C29 | H37 | 90.0° | 3.3° |
| C32 | C33 | C34 | C41 | 90.0° | 179.9° |
| C32 | C33 | C34 | C35 | 90.0° | 17.1° |
| C33 | C32 | C37 | C36 | 90.0° | 17.6° |
| C33 | C32 | C37 | C38 | 90.0° | 102.8° |
| C33 | C32 | C37 | C39 | 90.0° | 137.6° |
| C33 | C32 | C31 | H41 | 90.0° | 122.4° |
| C32 | C33 | C34 | H42 | 90.0° | 103.0° |
| C32 | C33 | C34 | H43 | 90.0° | 137.3° |
| C32 | C33 | C41 | H54 | 90.0° | 91.8° |
| C32 | C33 | C41 | H55 | 90.0° | 148.2° |
| C32 | C33 | C41 | H56 | 90.0° | 28.2° |
| C33 | C34 | C35 | H42 | 90.0° | 120.1° |
| C33 | C34 | C35 | H43 | 90.0° | 120.2° |
| C33 | C34 | C35 | C36 | 90.0° | 49.8° |
| C34 | C33 | C32 | C37 | 90.0° | 0.6° |
| C33 | C34 | C35 | O1 | 90.0° | 169.5° |
| C33 | C34 | H42 | H43 | 90.0° | 119.7° |
| C33 | C34 | C35 | H44 | 90.0° | 69.9° |
| C34 | C33 | C41 | H54 | 90.0° | 88.1° |
| C34 | C33 | C41 | H55 | 90.0° | 31.9° |
| C34 | C33 | C41 | H56 | 90.0° | 151.9° |
| C34 | C35 | C36 | O1 | 90.0° | 119.7° |
| C34 | C35 | C36 | H44 | 90.0° | 119.7° |
| C34 | C35 | C36 | C37 | 90.0° | 68.4° |
| C34 | C35 | O1 | H44 | 90.0° | 120.5° |
| C35 | C34 | C33 | C41 | 90.0° | 162.8° |
| C35 | C34 | H42 | H43 | 90.0° | 119.7° |
| C34 | C35 | C36 | H45 | 90.0° | 51.5° |
| C34 | C35 | C36 | H46 | 90.0° | 172.0° |
| C34 | C35 | O1 | H53 | 90.0° | 60.0° |
| C35 | C36 | C37 | H45 | 90.0° | 119.8° |
| C35 | C36 | C37 | H46 | 90.0° | 119.6° |
| C35 | C36 | C37 | C32 | 90.0° | 50.2° |
| C35 | C36 | C37 | C38 | 90.0° | 70.3° |
| C35 | C36 | C37 | C39 | 90.0° | 170.1° |
| C36 | C35 | O1 | H44 | 90.0° | 120.5° |
| C36 | C35 | C34 | H42 | 90.0° | 70.3° |
| C36 | C35 | C34 | H43 | 90.0° | 170.0° |
| C35 | C36 | H45 | H46 | 90.0° | 120.4° |
| C36 | C35 | O1 | H53 | 90.0° | 179.0° |
| C36 | C37 | C32 | C38 | 90.0° | 120.4° |
| C36 | C37 | C32 | C39 | 90.0° | 120.0° |
| C36 | C37 | C38 | C39 | 90.0° | 119.7° |
| C37 | C36 | C35 | O1 | 90.0° | 171.9° |
| C37 | C36 | C35 | H44 | 90.0° | 51.3° |
| C37 | C36 | H45 | H46 | 90.0° | 120.5° |
| C36 | C37 | C38 | H47 | 90.0° | 60.0° |
| C36 | C37 | C38 | H48 | 90.0° | 180.0° |
| C36 | C37 | C38 | H49 | 90.0° | 60.0° |
| C36 | C37 | C39 | H50 | 90.0° | 64.4° |
| C36 | C37 | C39 | H51 | 90.0° | 175.6° |
| C36 | C37 | C39 | H52 | 90.0° | 55.6° |
| C32 | C37 | C38 | C39 | 90.0° | 119.6° |
| C37 | C32 | C33 | C41 | 90.0° | 179.3° |
| C37 | C32 | C31 | H41 | 90.0° | 57.8° |
| C32 | C37 | C36 | H45 | 90.0° | 69.6° |
| C32 | C37 | C36 | H46 | 90.0° | 169.8° |
| C32 | C37 | C38 | H47 | 90.0° | 60.8° |
| C32 | C37 | C38 | H48 | 90.0° | 59.2° |
| C32 | C37 | C38 | H49 | 90.0° | 179.2° |
| C32 | C37 | C39 | H50 | 90.0° | 175.2° |
| C32 | C37 | C39 | H51 | 90.0° | 55.2° |
| C32 | C37 | C39 | H52 | 90.0° | 64.8° |
| C38 | C37 | C36 | H45 | 90.0° | 169.9° |
| C38 | C37 | C36 | H46 | 90.0° | 49.3° |
| C37 | C38 | H47 | H48 | 90.0° | 120.0° |
| C37 | C38 | H47 | H49 | 90.0° | 120.0° |
| C37 | C38 | H48 | H49 | 90.0° | 120.0° |
| C38 | C37 | C39 | H50 | 90.0° | 55.3° |
| C38 | C37 | C39 | H51 | 90.0° | 64.7° |
| C38 | C37 | C39 | H52 | 90.0° | 175.3° |
| C39 | C37 | C36 | H45 | 90.0° | 50.3° |
| C39 | C37 | C36 | H46 | 90.0° | 70.3° |
| C39 | C37 | C38 | H47 | 90.0° | 179.7° |
| C39 | C37 | C38 | H48 | 90.0° | 60.3° |
| C39 | C37 | C38 | H49 | 90.0° | 59.6° |
| C37 | C39 | H50 | H51 | 90.0° | 120.0° |
| C37 | C39 | H50 | H52 | 90.0° | 120.0° |
| C37 | C39 | H51 | H52 | 90.0° | 120.0° |
| O1 | C35 | C34 | H42 | 90.0° | 49.4° |
| O1 | C35 | C34 | H43 | 90.0° | 70.3° |
| O1 | C35 | C36 | H45 | 90.0° | 68.2° |
| O1 | C35 | C36 | H46 | 90.0° | 52.3° |
| C41 | C33 | C34 | H42 | 90.0° | 77.1° |
| C41 | C33 | C34 | H43 | 90.0° | 42.6° |
| C33 | C41 | H54 | H55 | 90.0° | 120.0° |
| C33 | C41 | H54 | H56 | 90.0° | 120.0° |
| C33 | C41 | H55 | H56 | 90.0° | 120.0° |
| H1 | C15 | C21 | H11 | 90.0° | 180.0° |
| H11 | C21 | C22 | H26 | 90.0° | 180.0° |
| H31 | C24 | H32 | H33 | 90.0° | 120.0° |
| H34 | C25 | C26 | H35 | 90.0° | 180.0° |
| H35 | C26 | C27 | H36 | 90.0° | 179.9° |
| H37 | C29 | C31 | H41 | 90.0° | 176.7° |
| H38 | C30 | H39 | H40 | 90.0° | 120.0° |
| H42 | C34 | C35 | H44 | 90.0° | 170.0° |
| H43 | C34 | C35 | H44 | 90.0° | 50.3° |
| H44 | C35 | C36 | H45 | 90.0° | 171.2° |
| H44 | C35 | C36 | H46 | 90.0° | 68.3° |
| H44 | C35 | O1 | H53 | 90.0° | 60.4° |
| H47 | C38 | H48 | H49 | 90.0° | 120.0° |
| H50 | C39 | H51 | H52 | 90.0° | 120.0° |
| H54 | C41 | H55 | H56 | 90.0° | 120.0° |
