YBG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C1 | C10 | doub | 1.31Å | 1.31Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.51Å | 1.52Å | |
| O1 | C18 | doub | 1.21Å | 1.18Å | |
| C18 | O2 | sing | 1.34Å | 1.40Å | |
| C21 | O4 | doub | 1.21Å | 1.18Å | |
| C21 | O3 | sing | 1.34Å | 1.39Å | |
| O3 | C20 | sing | 1.45Å | 1.39Å | |
| O2 | C19 | sing | 1.45Å | 1.40Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C37 | sing | 1.53Å | 1.53Å | |
| C37 | O5 | sing | 1.43Å | 1.40Å | |
| O6 | P1 | doub | 1.48Å | 1.50Å | |
| O5 | P1 | sing | 1.61Å | 1.64Å | |
| P1 | O7 | sing | 1.61Å | 1.50Å | |
| P1 | O8 | sing | 1.61Å | 1.64Å | |
| O8 | C38 | sing | 1.43Å | 1.40Å | |
| C43 | C38 | sing | 1.53Å | 1.54Å | |
| C43 | O13 | sing | 1.43Å | 1.40Å | |
| C43 | C42 | sing | 1.53Å | 1.54Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C42 | O12 | sing | 1.43Å | 1.40Å | |
| C42 | C41 | sing | 1.53Å | 1.54Å | |
| O9 | C39 | sing | 1.43Å | 1.40Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C40 | O10 | sing | 1.43Å | 1.40Å | |
| C41 | O11 | sing | 1.43Å | 1.40Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C1 | H28 | sing | 1.08Å | 1.08Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| C12 | H32 | sing | 1.09Å | 1.10Å | |
| C14 | H33 | sing | 1.09Å | 1.10Å | |
| C14 | H34 | sing | 1.09Å | 1.10Å | |
| C16 | H35 | sing | 1.09Å | 1.10Å | |
| C16 | H36 | sing | 1.09Å | 1.10Å | |
| C19 | H37 | sing | 1.09Å | 1.10Å | |
| C2 | H38 | sing | 1.09Å | 1.10Å | |
| C2 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | H44 | sing | 1.09Å | 1.10Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| C3 | H49 | sing | 1.09Å | 1.10Å | |
| C3 | H50 | sing | 1.09Å | 1.10Å | |
| C37 | H51 | sing | 1.09Å | 1.10Å | |
| C37 | H52 | sing | 1.09Å | 1.10Å | |
| C38 | H53 | sing | 1.09Å | 1.10Å | |
| C39 | H54 | sing | 1.09Å | 1.10Å | |
| C40 | H55 | sing | 1.09Å | 1.10Å | |
| C41 | H56 | sing | 1.09Å | 1.10Å | |
| C42 | H57 | sing | 1.09Å | 1.10Å | |
| C43 | H58 | sing | 1.09Å | 1.10Å | |
| C9 | H59 | sing | 1.09Å | 1.10Å | |
| C9 | H60 | sing | 1.09Å | 1.10Å | |
| C9 | H61 | sing | 1.09Å | 1.10Å | |
| O10 | H62 | sing | 0.97Å | 0.95Å | |
| O11 | H63 | sing | 0.97Å | 0.95Å | |
| O12 | H64 | sing | 0.97Å | 0.95Å | |
| O13 | H65 | sing | 0.97Å | 0.95Å | |
| O7 | H66 | sing | 0.97Å | 0.95Å | |
| O9 | H67 | sing | 0.97Å | 0.95Å | |
| C29 | C30 | sing | 1.53Å | 208.44Å | |
| C30 | C31 | sing | 1.53Å | 0.00Å | |
| C31 | C32 | sing | 1.53Å | 0.00Å | |
| C32 | C33 | sing | 1.53Å | 0.00Å | |
| C33 | C34 | sing | 1.53Å | 0.00Å | |
| C34 | C35 | sing | 1.53Å | 0.00Å | |
| C35 | C36 | sing | 1.53Å | 0.00Å | |
| C30 | H48 | sing | 1.09Å | 0.00Å | |
| C30 | H68 | sing | 1.09Å | 0.00Å | |
| C31 | H69 | sing | 1.09Å | 0.00Å | |
| C31 | H70 | sing | 1.09Å | 0.00Å | |
| C32 | H71 | sing | 1.09Å | 0.00Å | |
| C32 | H72 | sing | 1.09Å | 0.00Å | |
| C33 | H73 | sing | 1.09Å | 0.00Å | |
| C33 | H74 | sing | 1.09Å | 0.00Å | |
| C34 | H75 | sing | 1.09Å | 0.00Å | |
| C34 | H76 | sing | 1.09Å | 0.00Å | |
| C35 | H77 | sing | 1.09Å | 0.00Å | |
| C35 | H78 | sing | 1.09Å | 0.00Å | |
| C36 | H79 | sing | 1.09Å | 0.00Å | |
| C36 | H80 | sing | 1.09Å | 0.00Å | |
| C36 | H81 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 111.1° | 109.5° |
| C9 | C8 | H9 | 109.1° | 109.5° |
| C9 | C8 | H10 | 109.1° | 109.5° |
| C8 | C9 | H59 | 109.5° | 109.5° |
| C8 | C9 | H60 | 109.5° | 109.4° |
| C8 | C9 | H61 | 109.5° | 109.4° |
| C8 | C7 | C6 | 111.4° | 109.5° |
| C8 | C7 | H7 | 109.0° | 109.4° |
| C8 | C7 | H8 | 109.0° | 109.5° |
| C7 | C8 | H9 | 109.1° | 109.4° |
| C7 | C8 | H10 | 109.1° | 109.5° |
| C7 | C6 | C5 | 112.7° | 109.5° |
| C7 | C6 | H5 | 108.6° | 109.4° |
| C7 | C6 | H6 | 108.7° | 109.5° |
| C6 | C7 | H7 | 109.0° | 109.5° |
| C6 | C7 | H8 | 109.0° | 109.5° |
| C6 | C5 | C4 | 112.5° | 109.5° |
| C6 | C5 | H3 | 108.7° | 109.5° |
| C6 | C5 | H4 | 108.7° | 109.5° |
| C5 | C6 | H5 | 108.7° | 109.5° |
| C5 | C6 | H6 | 108.6° | 109.5° |
| C5 | C4 | C3 | 110.7° | 109.5° |
| C5 | C4 | H1 | 109.2° | 109.4° |
| C5 | C4 | H2 | 109.2° | 109.5° |
| C4 | C5 | H3 | 108.7° | 109.5° |
| C4 | C5 | H4 | 108.7° | 109.5° |
| C4 | C3 | C2 | 111.9° | 109.4° |
| C3 | C4 | H1 | 109.2° | 109.5° |
| C3 | C4 | H2 | 109.2° | 109.5° |
| C4 | C3 | H49 | 108.9° | 109.5° |
| C4 | C3 | H50 | 108.9° | 109.5° |
| C3 | C2 | C1 | 111.6° | 109.5° |
| C3 | C2 | H38 | 109.0° | 109.5° |
| C3 | C2 | H39 | 108.9° | 109.5° |
| C2 | C3 | H49 | 108.9° | 109.5° |
| C2 | C3 | H50 | 108.9° | 109.4° |
| C2 | C1 | C10 | 120.4° | 120.0° |
| C2 | C1 | H28 | 119.8° | 120.0° |
| C1 | C2 | H38 | 108.9° | 109.4° |
| C1 | C2 | H39 | 108.9° | 109.5° |
| C1 | C10 | C11 | 118.8° | 120.0° |
| C1 | C10 | H11 | 120.6° | 120.0° |
| C10 | C1 | H28 | 119.8° | 120.0° |
| C10 | C11 | C12 | 112.5° | 109.5° |
| C11 | C10 | H11 | 120.6° | 119.9° |
| C10 | C11 | H29 | 108.7° | 109.5° |
| C10 | C11 | H30 | 108.7° | 109.4° |
| C11 | C12 | C13 | 111.4° | 109.5° |
| C12 | C11 | H29 | 108.7° | 109.5° |
| C12 | C11 | H30 | 108.7° | 109.5° |
| C11 | C12 | H31 | 109.0° | 109.5° |
| C11 | C12 | H32 | 109.0° | 109.5° |
| C12 | C13 | C14 | 112.4° | 109.5° |
| C12 | C13 | H12 | 108.7° | 109.5° |
| C12 | C13 | H13 | 108.7° | 109.5° |
| C13 | C12 | H31 | 109.0° | 109.4° |
| C13 | C12 | H32 | 109.0° | 109.5° |
| C13 | C14 | C15 | 112.8° | 109.5° |
| C14 | C13 | H12 | 108.7° | 109.5° |
| C14 | C13 | H13 | 108.7° | 109.4° |
| C13 | C14 | H33 | 108.6° | 109.5° |
| C13 | C14 | H34 | 108.6° | 109.5° |
| C14 | C15 | C16 | 111.4° | 109.5° |
| C14 | C15 | H14 | 109.0° | 109.5° |
| C14 | C15 | H15 | 109.0° | 109.5° |
| C15 | C14 | H33 | 108.6° | 109.5° |
| C15 | C14 | H34 | 108.6° | 109.4° |
| C15 | C16 | C17 | 111.6° | 109.4° |
| C16 | C15 | H14 | 109.0° | 109.4° |
| C16 | C15 | H15 | 109.0° | 109.5° |
| C15 | C16 | H35 | 109.0° | 109.5° |
| C15 | C16 | H36 | 108.9° | 109.5° |
| C29 | C28 | C27 | 112.9° | 109.5° |
| C29 | C28 | H26 | 108.6° | 109.4° |
| C29 | C28 | H27 | 108.6° | 109.5° |
| C28 | C29 | H46 | 110.4° | 109.4° |
| C28 | C29 | H47 | 110.4° | 109.5° |
| C28 | C29 | C30 | 105.6° | 109.5° |
| C28 | C27 | C26 | 111.5° | 109.4° |
| C27 | C28 | H26 | 108.6° | 109.5° |
| C27 | C28 | H27 | 108.6° | 109.5° |
| C28 | C27 | H44 | 108.9° | 109.5° |
| C28 | C27 | H45 | 108.9° | 109.5° |
| C25 | C26 | C27 | 112.7° | 109.5° |
| C26 | C25 | C24 | 111.9° | 109.5° |
| C25 | C26 | H24 | 108.7° | 109.5° |
| C25 | C26 | H25 | 108.7° | 109.4° |
| C26 | C25 | H42 | 108.8° | 109.5° |
| C26 | C25 | H43 | 108.9° | 109.4° |
| C27 | C26 | H24 | 108.7° | 109.5° |
| C27 | C26 | H25 | 108.7° | 109.5° |
| C26 | C27 | H44 | 108.9° | 109.5° |
| C26 | C27 | H45 | 108.9° | 109.4° |
| C25 | C24 | C23 | 111.8° | 109.5° |
| C25 | C24 | H22 | 108.9° | 109.5° |
| C25 | C24 | H23 | 108.9° | 109.5° |
| C24 | C25 | H42 | 108.9° | 109.5° |
| C24 | C25 | H43 | 108.8° | 109.5° |
| C16 | C17 | C18 | 110.8° | 109.5° |
| C16 | C17 | H16 | 109.1° | 109.5° |
| C16 | C17 | H17 | 109.2° | 109.5° |
| C17 | C16 | H35 | 108.9° | 109.5° |
| C17 | C16 | H36 | 109.0° | 109.4° |
| C24 | C23 | C22 | 111.5° | 109.4° |
| C23 | C24 | H22 | 108.9° | 109.5° |
| C23 | C24 | H23 | 108.9° | 109.5° |
| C24 | C23 | H40 | 108.9° | 109.4° |
| C24 | C23 | H41 | 109.0° | 109.5° |
| C17 | C18 | O1 | 118.1° | 120.0° |
| C17 | C18 | O2 | 122.0° | 120.0° |
| C18 | C17 | H16 | 109.2° | 109.5° |
| C18 | C17 | H17 | 109.2° | 109.4° |
| C23 | C22 | C21 | 111.8° | 109.4° |
| C23 | C22 | H20 | 108.9° | 109.5° |
| C23 | C22 | H21 | 108.9° | 109.5° |
| C22 | C23 | H40 | 109.0° | 109.5° |
| C22 | C23 | H41 | 108.9° | 109.5° |
| C22 | C21 | O4 | 120.1° | 120.1° |
| C22 | C21 | O3 | 119.2° | 120.0° |
| C21 | C22 | H20 | 108.9° | 109.5° |
| C21 | C22 | H21 | 108.9° | 109.5° |
| O1 | C18 | O2 | 119.8° | 120.0° |
| C18 | O2 | C19 | 117.9° | 117.0° |
| O4 | C21 | O3 | 120.7° | 119.9° |
| C21 | O3 | C20 | 114.2° | 117.0° |
| O3 | C20 | C19 | 106.7° | 109.5° |
| O3 | C20 | H18 | 110.2° | 109.5° |
| O3 | C20 | H19 | 110.2° | 109.5° |
| O2 | C19 | C20 | 109.0° | 109.4° |
| O2 | C19 | C37 | 109.6° | 109.5° |
| O2 | C19 | H37 | 111.2° | 109.5° |
| C20 | C19 | C37 | 108.1° | 109.5° |
| C19 | C20 | H18 | 110.2° | 109.4° |
| C19 | C20 | H19 | 110.2° | 109.4° |
| C20 | C19 | H37 | 109.5° | 109.5° |
| C19 | C37 | O5 | 110.9° | 109.5° |
| C37 | C19 | H37 | 109.4° | 109.5° |
| C19 | C37 | H51 | 109.1° | 109.5° |
| C19 | C37 | H52 | 109.1° | 109.4° |
| C37 | O5 | P1 | 117.2° | 123.0° |
| O5 | C37 | H51 | 109.1° | 109.5° |
| O5 | C37 | H52 | 109.1° | 109.5° |
| O6 | P1 | O5 | 109.2° | 109.4° |
| O6 | P1 | O7 | 109.2° | 109.5° |
| O6 | P1 | O8 | 108.0° | 109.5° |
| O5 | P1 | O7 | 109.1° | 109.5° |
| O5 | P1 | O8 | 111.6° | 109.5° |
| O7 | P1 | O8 | 109.7° | 109.5° |
| P1 | O7 | H66 | 109.5° | 114.0° |
| P1 | O8 | C38 | 119.7° | 123.0° |
| O8 | C38 | C43 | 107.4° | 109.5° |
| O8 | C38 | C39 | 108.1° | 109.5° |
| O8 | C38 | H53 | 109.9° | 109.5° |
| C38 | C43 | O13 | 108.1° | 109.5° |
| C38 | C43 | C42 | 118.4° | 109.4° |
| C43 | C38 | C39 | 115.3° | 109.5° |
| C43 | C38 | H53 | 108.0° | 109.5° |
| C38 | C43 | H58 | 106.9° | 109.5° |
| O13 | C43 | C42 | 107.7° | 109.5° |
| O13 | C43 | H58 | 108.6° | 109.5° |
| C43 | O13 | H65 | 109.5° | 114.0° |
| C43 | C42 | O12 | 106.9° | 109.5° |
| C43 | C42 | C41 | 117.7° | 109.5° |
| C43 | C42 | H57 | 108.0° | 109.4° |
| C42 | C43 | H58 | 106.8° | 109.5° |
| C38 | C39 | O9 | 108.7° | 109.5° |
| C38 | C39 | C40 | 111.1° | 109.5° |
| C39 | C38 | H53 | 108.1° | 109.5° |
| C38 | C39 | H54 | 109.0° | 109.5° |
| O12 | C42 | C41 | 106.3° | 109.5° |
| O12 | C42 | H57 | 109.8° | 109.5° |
| C42 | O12 | H64 | 109.5° | 114.1° |
| C42 | C41 | C40 | 114.6° | 109.5° |
| C42 | C41 | O11 | 107.9° | 109.5° |
| C42 | C41 | H56 | 108.2° | 109.5° |
| C41 | C42 | H57 | 108.1° | 109.5° |
| O9 | C39 | C40 | 108.0° | 109.5° |
| O9 | C39 | H54 | 110.9° | 109.4° |
| C39 | O9 | H67 | 109.5° | 114.0° |
| C39 | C40 | C41 | 109.6° | 109.5° |
| C39 | C40 | O10 | 108.2° | 109.5° |
| C40 | C39 | H54 | 109.1° | 109.5° |
| C39 | C40 | H55 | 109.7° | 109.5° |
| C41 | C40 | O10 | 108.3° | 109.5° |
| C40 | C41 | O11 | 107.8° | 109.5° |
| C41 | C40 | H55 | 109.6° | 109.5° |
| C40 | C41 | H56 | 108.3° | 109.5° |
| O10 | C40 | H55 | 111.4° | 109.5° |
| C40 | O10 | H62 | 109.5° | 114.0° |
| O11 | C41 | H56 | 110.0° | 109.5° |
| C41 | O11 | H63 | 109.5° | 114.0° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.4° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.4° |
| H24 | C26 | H25 | 109.5° | 109.5° |
| H26 | C28 | H27 | 109.5° | 109.5° |
| H29 | C11 | H30 | 109.5° | 109.4° |
| H31 | C12 | H32 | 109.5° | 109.5° |
| H33 | C14 | H34 | 109.5° | 109.5° |
| H35 | C16 | H36 | 109.5° | 109.5° |
| H38 | C2 | H39 | 109.5° | 109.5° |
| H40 | C23 | H41 | 109.5° | 109.5° |
| H42 | C25 | H43 | 109.5° | 109.4° |
| H44 | C27 | H45 | 109.5° | 109.5° |
| H46 | C29 | H47 | 109.4° | 109.5° |
| H46 | C29 | C30 | 110.4° | 109.5° |
| H47 | C29 | C30 | 110.4° | 109.5° |
| H49 | C3 | H50 | 109.4° | 109.5° |
| H51 | C37 | H52 | 109.4° | 109.5° |
| H59 | C9 | H60 | 109.5° | 109.5° |
| H59 | C9 | H61 | 109.5° | 109.5° |
| H60 | C9 | H61 | 109.5° | 109.5° |
| C29 | C30 | C31 | 90.0° | 109.4° |
| C29 | C30 | H48 | 90.0° | 109.5° |
| C29 | C30 | H68 | 90.0° | 109.5° |
| C30 | C31 | C32 | 90.0° | 109.4° |
| C31 | C30 | H48 | 90.0° | 109.5° |
| C31 | C30 | H68 | 90.0° | 109.5° |
| C30 | C31 | H69 | 90.0° | 109.5° |
| C30 | C31 | H70 | 90.0° | 109.5° |
| C31 | C32 | C33 | 90.0° | 109.5° |
| C32 | C31 | H69 | 90.0° | 109.5° |
| C32 | C31 | H70 | 90.0° | 109.5° |
| C31 | C32 | H71 | 90.0° | 109.5° |
| C31 | C32 | H72 | 90.0° | 109.5° |
| C32 | C33 | C34 | 90.0° | 109.5° |
| C33 | C32 | H71 | 90.0° | 109.4° |
| C33 | C32 | H72 | 90.0° | 109.5° |
| C32 | C33 | H73 | 90.0° | 109.4° |
| C32 | C33 | H74 | 90.0° | 109.5° |
| C33 | C34 | C35 | 90.0° | 109.5° |
| C34 | C33 | H73 | 90.0° | 109.5° |
| C34 | C33 | H74 | 90.0° | 109.5° |
| C33 | C34 | H75 | 90.0° | 109.5° |
| C33 | C34 | H76 | 90.0° | 109.5° |
| C34 | C35 | C36 | 90.0° | 109.5° |
| C35 | C34 | H75 | 90.0° | 109.5° |
| C35 | C34 | H76 | 90.0° | 109.5° |
| C34 | C35 | H77 | 90.0° | 109.5° |
| C34 | C35 | H78 | 90.0° | 109.5° |
| C36 | C35 | H77 | 90.0° | 109.5° |
| C36 | C35 | H78 | 90.0° | 109.5° |
| C35 | C36 | H79 | 90.0° | 109.5° |
| C35 | C36 | H80 | 90.0° | 109.5° |
| C35 | C36 | H81 | 90.0° | 109.5° |
| H48 | C30 | H68 | 90.0° | 109.5° |
| H69 | C31 | H70 | 90.0° | 109.5° |
| H71 | C32 | H72 | 90.0° | 109.5° |
| H73 | C33 | H74 | 90.0° | 109.5° |
| H75 | C34 | H76 | 90.0° | 109.5° |
| H77 | C35 | H78 | 90.0° | 109.5° |
| H79 | C36 | H80 | 90.0° | 109.4° |
| H79 | C36 | H81 | 90.0° | 109.5° |
| H80 | C36 | H81 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H9 | 120.2° | 120.0° |
| C9 | C8 | C7 | H10 | 120.2° | 120.0° |
| C9 | C8 | C7 | C6 | 114.9° | 180.0° |
| C9 | C8 | C7 | H7 | 124.8° | 60.0° |
| C9 | C8 | C7 | H8 | 5.3° | 60.0° |
| C9 | C8 | H9 | H10 | 119.3° | 120.0° |
| C8 | C9 | H59 | H60 | 120.0° | 120.0° |
| C8 | C9 | H59 | H61 | 120.0° | 120.0° |
| C8 | C9 | H60 | H61 | 120.0° | 119.9° |
| C8 | C7 | C6 | H7 | 120.3° | 119.9° |
| C8 | C7 | C6 | H8 | 120.3° | 120.0° |
| C8 | C7 | C6 | C5 | 175.1° | 180.0° |
| C8 | C7 | C6 | H5 | 64.4° | 60.0° |
| C8 | C7 | C6 | H6 | 54.6° | 60.0° |
| C8 | C7 | H7 | H8 | 119.1° | 120.0° |
| C7 | C8 | H9 | H10 | 119.3° | 120.0° |
| C7 | C8 | C9 | H59 | 180.0° | 60.0° |
| C7 | C8 | C9 | H60 | 60.0° | 60.0° |
| C7 | C8 | C9 | H61 | 60.0° | 180.0° |
| C7 | C6 | C5 | H5 | 120.5° | 119.9° |
| C7 | C6 | C5 | H6 | 120.5° | 120.1° |
| C7 | C6 | C5 | C4 | 48.9° | 180.0° |
| C7 | C6 | C5 | H3 | 169.3° | 60.0° |
| C7 | C6 | C5 | H4 | 71.5° | 60.0° |
| C7 | C6 | H5 | H6 | 118.5° | 120.0° |
| C6 | C7 | H7 | H8 | 119.1° | 120.1° |
| C6 | C7 | C8 | H9 | 5.3° | 60.0° |
| C6 | C7 | C8 | H10 | 124.8° | 60.0° |
| C6 | C5 | C4 | H3 | 120.4° | 120.0° |
| C6 | C5 | C4 | H4 | 120.5° | 120.0° |
| C6 | C5 | C4 | C3 | 83.5° | 180.0° |
| C6 | C5 | C4 | H1 | 156.3° | 60.0° |
| C6 | C5 | C4 | H2 | 36.6° | 60.0° |
| C6 | C5 | H3 | H4 | 118.6° | 120.0° |
| C5 | C6 | H5 | H6 | 118.5° | 120.0° |
| C5 | C6 | C7 | H7 | 54.8° | 60.1° |
| C5 | C6 | C7 | H8 | 64.6° | 60.0° |
| C5 | C4 | C3 | H1 | 120.2° | 119.9° |
| C5 | C4 | C3 | H2 | 120.2° | 120.0° |
| C5 | C4 | C3 | C2 | 166.9° | 180.0° |
| C5 | C4 | H1 | H2 | 119.5° | 120.0° |
| C4 | C5 | H3 | H4 | 118.6° | 120.0° |
| C4 | C5 | C6 | H5 | 71.5° | 60.0° |
| C4 | C5 | C6 | H6 | 169.4° | 60.0° |
| C5 | C4 | C3 | H49 | 46.5° | 60.0° |
| C5 | C4 | C3 | H50 | 72.7° | 60.0° |
| C4 | C3 | C2 | H49 | 120.4° | 120.0° |
| C4 | C3 | C2 | H50 | 120.4° | 120.0° |
| C4 | C3 | C2 | C1 | 67.2° | 180.0° |
| C3 | C4 | H1 | H2 | 119.4° | 120.1° |
| C3 | C4 | C5 | H3 | 36.9° | 60.0° |
| C3 | C4 | C5 | H4 | 156.0° | 60.0° |
| C4 | C3 | C2 | H38 | 53.1° | 60.1° |
| C4 | C3 | C2 | H39 | 172.5° | 60.0° |
| C4 | C3 | H49 | H50 | 118.9° | 120.0° |
| C3 | C2 | C1 | H38 | 120.3° | 119.9° |
| C3 | C2 | C1 | H39 | 120.3° | 120.1° |
| C3 | C2 | C1 | C10 | 54.0° | 125.0° |
| C2 | C3 | C4 | H1 | 72.9° | 60.0° |
| C2 | C3 | C4 | H2 | 46.7° | 60.0° |
| C3 | C2 | C1 | H28 | 126.0° | 54.9° |
| C3 | C2 | H38 | H39 | 119.0° | 120.1° |
| C2 | C3 | H49 | H50 | 118.9° | 120.0° |
| C2 | C1 | C10 | H28 | 180.0° | 179.9° |
| C2 | C1 | C10 | C11 | 179.9° | 180.0° |
| C2 | C1 | C10 | H11 | 0.1° | 0.0° |
| C1 | C2 | H38 | H39 | 119.0° | 120.0° |
| C1 | C2 | C3 | H49 | 172.4° | 60.0° |
| C1 | C2 | C3 | H50 | 53.2° | 60.1° |
| C1 | C10 | C11 | H11 | 180.0° | 180.0° |
| C1 | C10 | C11 | C12 | 154.4° | 125.0° |
| C1 | C10 | C11 | H29 | 85.2° | 114.9° |
| C1 | C10 | C11 | H30 | 34.0° | 5.0° |
| C10 | C1 | C2 | H38 | 174.4° | 115.1° |
| C10 | C1 | C2 | H39 | 66.3° | 4.9° |
| C10 | C11 | C12 | H29 | 120.4° | 120.0° |
| C10 | C11 | C12 | H30 | 120.4° | 120.0° |
| C10 | C11 | C12 | C13 | 104.8° | 180.0° |
| C11 | C10 | C1 | H28 | 0.1° | 0.1° |
| C10 | C11 | H29 | H30 | 118.7° | 119.9° |
| C10 | C11 | C12 | H31 | 134.9° | 60.0° |
| C10 | C11 | C12 | H32 | 15.5° | 59.9° |
| C11 | C12 | C13 | H31 | 120.3° | 120.0° |
| C11 | C12 | C13 | H32 | 120.3° | 120.1° |
| C11 | C12 | C13 | C14 | 154.3° | 180.0° |
| C12 | C11 | C10 | H11 | 25.6° | 55.0° |
| C11 | C12 | C13 | H12 | 33.9° | 59.9° |
| C11 | C12 | C13 | H13 | 85.3° | 60.0° |
| C12 | C11 | H29 | H30 | 118.6° | 120.0° |
| C11 | C12 | H31 | H32 | 119.1° | 120.0° |
| C12 | C13 | C14 | H12 | 120.4° | 120.0° |
| C12 | C13 | C14 | H13 | 120.4° | 120.0° |
| C12 | C13 | C14 | C15 | 49.5° | 180.0° |
| C12 | C13 | H12 | H13 | 118.6° | 120.0° |
| C13 | C12 | C11 | H29 | 15.6° | 60.0° |
| C13 | C12 | C11 | H30 | 134.8° | 60.0° |
| C13 | C12 | H31 | H32 | 119.1° | 120.0° |
| C12 | C13 | C14 | H33 | 170.0° | 60.0° |
| C12 | C13 | C14 | H34 | 70.9° | 60.1° |
| C13 | C14 | C15 | H33 | 120.5° | 120.1° |
| C13 | C14 | C15 | H34 | 120.5° | 120.0° |
| C13 | C14 | C15 | C16 | 175.8° | 180.0° |
| C14 | C13 | H12 | H13 | 118.7° | 120.0° |
| C13 | C14 | C15 | H14 | 55.5° | 60.0° |
| C13 | C14 | C15 | H15 | 63.9° | 60.1° |
| C14 | C13 | C12 | H31 | 85.4° | 60.0° |
| C14 | C13 | C12 | H32 | 34.0° | 59.9° |
| C13 | C14 | H33 | H34 | 118.5° | 120.0° |
| C14 | C15 | C16 | H14 | 120.3° | 120.0° |
| C14 | C15 | C16 | H15 | 120.3° | 120.0° |
| C14 | C15 | C16 | C17 | 62.2° | 180.0° |
| C15 | C14 | C13 | H12 | 70.9° | 60.0° |
| C15 | C14 | C13 | H13 | 170.0° | 60.0° |
| C14 | C15 | H14 | H15 | 119.1° | 120.0° |
| C15 | C14 | H33 | H34 | 118.5° | 120.0° |
| C14 | C15 | C16 | H35 | 177.5° | 60.0° |
| C14 | C15 | C16 | H36 | 58.2° | 60.0° |
| C15 | C16 | C17 | H35 | 120.3° | 120.0° |
| C15 | C16 | C17 | H36 | 120.3° | 120.0° |
| C15 | C16 | C17 | C18 | 123.2° | 180.0° |
| C16 | C15 | H14 | H15 | 119.1° | 120.0° |
| C15 | C16 | C17 | H16 | 116.6° | 60.0° |
| C15 | C16 | C17 | H17 | 3.0° | 60.0° |
| C16 | C15 | C14 | H33 | 63.7° | 60.0° |
| C16 | C15 | C14 | H34 | 55.3° | 60.0° |
| C15 | C16 | H35 | H36 | 119.0° | 120.0° |
| C29 | C28 | C27 | H26 | 120.5° | 120.0° |
| C29 | C28 | C27 | H27 | 120.5° | 120.0° |
| C29 | C28 | C27 | C26 | 155.7° | 179.9° |
| C29 | C28 | H26 | H27 | 118.4° | 120.0° |
| C29 | C28 | C27 | H44 | 84.0° | 60.1° |
| C29 | C28 | C27 | H45 | 35.4° | 60.0° |
| C28 | C29 | H46 | H47 | 121.8° | 120.0° |
| C28 | C29 | H46 | C30 | 116.4° | 120.0° |
| C28 | C29 | H47 | C30 | 116.4° | 120.0° |
| C28 | C29 | C30 | C31 | 90.0° | 179.9° |
| C28 | C29 | C30 | H48 | 90.0° | 60.0° |
| C28 | C29 | C30 | H68 | 90.0° | 60.0° |
| C28 | C27 | C26 | C25 | 166.4° | 180.0° |
| C28 | C27 | C26 | H44 | 120.3° | 120.0° |
| C28 | C27 | C26 | H45 | 120.3° | 120.0° |
| C28 | C27 | C26 | H24 | 73.2° | 60.0° |
| C28 | C27 | C26 | H25 | 45.9° | 60.0° |
| C27 | C28 | H26 | H27 | 118.4° | 120.0° |
| C28 | C27 | H44 | H45 | 119.1° | 120.1° |
| C27 | C28 | C29 | H46 | 48.2° | 60.0° |
| C27 | C28 | C29 | H47 | 73.0° | 60.0° |
| C27 | C28 | C29 | C30 | 167.6° | 180.0° |
| C25 | C26 | C27 | H24 | 120.5° | 120.0° |
| C25 | C26 | C27 | H25 | 120.5° | 119.9° |
| C26 | C25 | C24 | H42 | 120.4° | 120.1° |
| C26 | C25 | C24 | H43 | 120.4° | 120.0° |
| C26 | C25 | C24 | C23 | 153.1° | 180.0° |
| C26 | C25 | C24 | H22 | 86.5° | 59.9° |
| C26 | C25 | C24 | H23 | 32.8° | 60.0° |
| C25 | C26 | H24 | H25 | 118.5° | 119.9° |
| C26 | C25 | H42 | H43 | 118.9° | 119.9° |
| C25 | C26 | C27 | H44 | 73.3° | 60.0° |
| C25 | C26 | C27 | H45 | 46.1° | 60.0° |
| C27 | C26 | C25 | C24 | 81.4° | 180.0° |
| C27 | C26 | H24 | H25 | 118.5° | 120.0° |
| C26 | C27 | C28 | H26 | 35.2° | 60.0° |
| C26 | C27 | C28 | H27 | 83.8° | 60.0° |
| C27 | C26 | C25 | H42 | 38.9° | 59.9° |
| C27 | C26 | C25 | H43 | 158.2° | 60.0° |
| C26 | C27 | H44 | H45 | 119.0° | 119.9° |
| C25 | C24 | C23 | H22 | 120.3° | 120.0° |
| C25 | C24 | C23 | H23 | 120.3° | 120.0° |
| C25 | C24 | C23 | C22 | 53.3° | 180.0° |
| C25 | C24 | H22 | H23 | 118.9° | 120.0° |
| C24 | C25 | C26 | H24 | 39.0° | 60.0° |
| C24 | C25 | C26 | H25 | 158.1° | 60.0° |
| C25 | C24 | C23 | H40 | 67.0° | 60.0° |
| C25 | C24 | C23 | H41 | 173.5° | 60.0° |
| C24 | C25 | H42 | H43 | 118.9° | 120.0° |
| C16 | C17 | C18 | H16 | 120.2° | 120.0° |
| C16 | C17 | C18 | H17 | 120.2° | 119.9° |
| C16 | C17 | C18 | O1 | 29.1° | 0.0° |
| C16 | C17 | C18 | O2 | 149.8° | 180.0° |
| C17 | C16 | C15 | H14 | 58.1° | 60.0° |
| C17 | C16 | C15 | H15 | 177.5° | 60.0° |
| C16 | C17 | H16 | H17 | 119.4° | 120.0° |
| C17 | C16 | H35 | H36 | 119.0° | 120.0° |
| C24 | C23 | C22 | H40 | 120.3° | 119.9° |
| C24 | C23 | C22 | H41 | 120.3° | 120.0° |
| C24 | C23 | C22 | C21 | 168.3° | 180.0° |
| C24 | C23 | C22 | H20 | 48.0° | 60.1° |
| C24 | C23 | C22 | H21 | 71.3° | 60.0° |
| C23 | C24 | H22 | H23 | 118.9° | 120.0° |
| C24 | C23 | H40 | H41 | 119.1° | 120.0° |
| C23 | C24 | C25 | H42 | 32.8° | 60.0° |
| C23 | C24 | C25 | H43 | 86.5° | 60.0° |
| C17 | C18 | O1 | O2 | 178.9° | 180.0° |
| C17 | C18 | O2 | C19 | 34.4° | 180.0° |
| C18 | C17 | H16 | H17 | 119.4° | 120.0° |
| C18 | C17 | C16 | H35 | 2.8° | 60.0° |
| C18 | C17 | C16 | H36 | 116.5° | 60.0° |
| C23 | C22 | C21 | H20 | 120.3° | 120.0° |
| C23 | C22 | C21 | H21 | 120.3° | 120.0° |
| C23 | C22 | C21 | O4 | 22.3° | 0.0° |
| C23 | C22 | C21 | O3 | 157.8° | 180.0° |
| C23 | C22 | H20 | H21 | 118.9° | 120.0° |
| C22 | C23 | C24 | H22 | 173.6° | 60.0° |
| C22 | C23 | C24 | H23 | 67.1° | 60.0° |
| C22 | C23 | H40 | H41 | 119.1° | 120.0° |
| C22 | C21 | O4 | O3 | 179.9° | 180.0° |
| C22 | C21 | O3 | C20 | 139.6° | 180.0° |
| C21 | C22 | H20 | H21 | 119.0° | 120.0° |
| C21 | C22 | C23 | H40 | 71.4° | 60.1° |
| C21 | C22 | C23 | H41 | 48.0° | 60.0° |
| O1 | C18 | O2 | C19 | 146.7° | 0.0° |
| O1 | C18 | C17 | H16 | 91.1° | 120.0° |
| O1 | C18 | C17 | H17 | 149.3° | 120.0° |
| C18 | O2 | C19 | C20 | 115.5° | 150.0° |
| C18 | O2 | C19 | C37 | 126.3° | 90.0° |
| O2 | C18 | C17 | H16 | 90.0° | 60.0° |
| O2 | C18 | C17 | H17 | 29.6° | 60.1° |
| C18 | O2 | C19 | H37 | 5.2° | 30.0° |
| O4 | C21 | O3 | C20 | 40.5° | 0.0° |
| O4 | C21 | C22 | H20 | 142.6° | 120.0° |
| O4 | C21 | C22 | H21 | 98.0° | 120.0° |
| C21 | O3 | C20 | C19 | 146.6° | 180.0° |
| C21 | O3 | C20 | H18 | 27.1° | 60.0° |
| C21 | O3 | C20 | H19 | 93.8° | 60.0° |
| O3 | C21 | C22 | H20 | 37.5° | 60.0° |
| O3 | C21 | C22 | H21 | 81.8° | 60.0° |
| O3 | C20 | C19 | O2 | 30.3° | 65.0° |
| O3 | C20 | C19 | H18 | 119.6° | 120.0° |
| O3 | C20 | C19 | H19 | 119.6° | 120.1° |
| O3 | C20 | C19 | C37 | 149.4° | 55.0° |
| O3 | C20 | H18 | H19 | 121.3° | 120.1° |
| O3 | C20 | C19 | H37 | 91.6° | 175.0° |
| O2 | C19 | C20 | C37 | 119.1° | 120.0° |
| O2 | C19 | C20 | H37 | 121.8° | 120.0° |
| O2 | C19 | C37 | H37 | 122.2° | 120.0° |
| O2 | C19 | C37 | O5 | 78.7° | 65.0° |
| O2 | C19 | C20 | H18 | 149.8° | 175.0° |
| O2 | C19 | C20 | H19 | 89.3° | 55.0° |
| O2 | C19 | C37 | H51 | 41.5° | 55.0° |
| O2 | C19 | C37 | H52 | 161.0° | 175.0° |
| C20 | C19 | C37 | H37 | 119.1° | 120.0° |
| C20 | C19 | C37 | O5 | 40.0° | 54.9° |
| C19 | C20 | H18 | H19 | 121.3° | 119.9° |
| C20 | C19 | C37 | H51 | 160.2° | 175.0° |
| C20 | C19 | C37 | H52 | 80.2° | 65.0° |
| C19 | C37 | O5 | H51 | 120.2° | 120.0° |
| C19 | C37 | O5 | H52 | 120.2° | 119.9° |
| C19 | C37 | O5 | P1 | 130.5° | 179.9° |
| C37 | C19 | C20 | H18 | 91.1° | 65.0° |
| C37 | C19 | C20 | H19 | 29.8° | 175.0° |
| C19 | C37 | H51 | H52 | 119.3° | 120.0° |
| C37 | O5 | P1 | O6 | 105.9° | 55.0° |
| C37 | O5 | P1 | O7 | 13.5° | 65.0° |
| C37 | O5 | P1 | O8 | 134.8° | 175.0° |
| O5 | C37 | C19 | H37 | 159.1° | 175.0° |
| O5 | C37 | H51 | H52 | 119.3° | 120.0° |
| O6 | P1 | O5 | O7 | 119.3° | 120.0° |
| O6 | P1 | O5 | O8 | 119.3° | 120.0° |
| O6 | P1 | O7 | O8 | 118.1° | 120.0° |
| O6 | P1 | O8 | C38 | 170.1° | 55.0° |
| O6 | P1 | O7 | H66 | 0.0° | 180.0° |
| O5 | P1 | O7 | O8 | 122.5° | 120.0° |
| O5 | P1 | O8 | C38 | 50.1° | 175.0° |
| P1 | O5 | C37 | H51 | 10.3° | 60.1° |
| P1 | O5 | C37 | H52 | 109.3° | 60.0° |
| O5 | P1 | O7 | H66 | 119.4° | 60.0° |
| O7 | P1 | O8 | C38 | 70.9° | 65.0° |
| P1 | O8 | C38 | C43 | 98.1° | 120.0° |
| P1 | O8 | C38 | C39 | 136.9° | 120.0° |
| P1 | O8 | C38 | H53 | 19.2° | 0.0° |
| O8 | P1 | O7 | H66 | 118.1° | 60.0° |
| O8 | C38 | C43 | C39 | 120.6° | 120.0° |
| O8 | C38 | C43 | H53 | 118.5° | 120.0° |
| O8 | C38 | C43 | O13 | 138.2° | 60.0° |
| O8 | C38 | C43 | C42 | 99.1° | 180.0° |
| O8 | C38 | C39 | H53 | 118.9° | 120.0° |
| O8 | C38 | C39 | O9 | 46.4° | 60.0° |
| O8 | C38 | C39 | C40 | 72.4° | 180.0° |
| O8 | C38 | C39 | H54 | 167.3° | 60.0° |
| O8 | C38 | C43 | H58 | 21.5° | 60.0° |
| C38 | C43 | O13 | C42 | 129.0° | 119.9° |
| C38 | C43 | O13 | H58 | 115.6° | 120.0° |
| C38 | C43 | C42 | H58 | 120.6° | 120.0° |
| C43 | C38 | C39 | H53 | 120.9° | 120.0° |
| C38 | C43 | C42 | O12 | 130.8° | 60.0° |
| C38 | C43 | C42 | C41 | 11.5° | 60.0° |
| C43 | C38 | C39 | O9 | 166.6° | 60.0° |
| C43 | C38 | C39 | C40 | 47.8° | 60.0° |
| C43 | C38 | C39 | H54 | 72.5° | 180.0° |
| C38 | C43 | C42 | H57 | 111.1° | 180.0° |
| C38 | C43 | O13 | H65 | 180.0° | 180.0° |
| O13 | C43 | C42 | H58 | 116.5° | 120.1° |
| O13 | C43 | C38 | C39 | 101.3° | 180.0° |
| O13 | C43 | C42 | O12 | 7.9° | 60.0° |
| O13 | C43 | C42 | C41 | 111.4° | 180.0° |
| O13 | C43 | C38 | H53 | 19.7° | 60.0° |
| O13 | C43 | C42 | H57 | 126.0° | 60.1° |
| C42 | C43 | C38 | C39 | 21.4° | 60.0° |
| C43 | C42 | O12 | C41 | 126.5° | 120.0° |
| C43 | C42 | O12 | H57 | 116.9° | 120.0° |
| C43 | C42 | C41 | H57 | 122.5° | 119.9° |
| C43 | C42 | C41 | C40 | 28.0° | 60.0° |
| C43 | C42 | C41 | O11 | 92.0° | 180.0° |
| C42 | C43 | C38 | H53 | 142.4° | 60.0° |
| C43 | C42 | C41 | H56 | 149.0° | 59.9° |
| C43 | C42 | O12 | H64 | 180.0° | 179.9° |
| C42 | C43 | O13 | H65 | 51.0° | 60.1° |
| C38 | C39 | O9 | C40 | 120.7° | 120.0° |
| C38 | C39 | O9 | H54 | 119.8° | 120.0° |
| C38 | C39 | C40 | H54 | 120.2° | 120.0° |
| C38 | C39 | C40 | C41 | 64.1° | 60.0° |
| C38 | C39 | C40 | O10 | 177.9° | 60.0° |
| C38 | C39 | C40 | H55 | 56.3° | 180.0° |
| C39 | C38 | C43 | H58 | 142.0° | 60.0° |
| C38 | C39 | O9 | H67 | 180.0° | 180.0° |
| O12 | C42 | C41 | H57 | 117.8° | 120.0° |
| O12 | C42 | C41 | C40 | 147.7° | 60.0° |
| O12 | C42 | C41 | O11 | 27.6° | 60.0° |
| O12 | C42 | C41 | H56 | 91.3° | 180.0° |
| O12 | C42 | C43 | H58 | 108.6° | 180.0° |
| C42 | C41 | C40 | C39 | 54.1° | 60.0° |
| C42 | C41 | C40 | O11 | 120.1° | 120.0° |
| C42 | C41 | C40 | H56 | 120.9° | 120.0° |
| C42 | C41 | C40 | O10 | 172.0° | 60.0° |
| C42 | C41 | O11 | H56 | 117.8° | 120.0° |
| C42 | C41 | C40 | H55 | 66.3° | 180.0° |
| C41 | C42 | C43 | H58 | 132.1° | 60.0° |
| C42 | C41 | O11 | H63 | 180.0° | 60.0° |
| C41 | C42 | O12 | H64 | 53.5° | 60.0° |
| O9 | C39 | C40 | H54 | 120.6° | 120.0° |
| O9 | C39 | C40 | C41 | 176.7° | 60.0° |
| O9 | C39 | C40 | O10 | 58.8° | 180.0° |
| O9 | C39 | C38 | H53 | 72.5° | 180.0° |
| O9 | C39 | C40 | H55 | 62.9° | 60.0° |
| C39 | C40 | C41 | O10 | 117.8° | 120.0° |
| C39 | C40 | C41 | H55 | 120.4° | 120.0° |
| C39 | C40 | O10 | H55 | 120.6° | 120.0° |
| C39 | C40 | C41 | O11 | 66.0° | 180.0° |
| C40 | C39 | C38 | H53 | 168.7° | 60.0° |
| C39 | C40 | C41 | H56 | 175.0° | 60.0° |
| C39 | C40 | O10 | H62 | 180.0° | 180.0° |
| C40 | C39 | O9 | H67 | 59.3° | 60.0° |
| C41 | C40 | O10 | H55 | 120.6° | 120.0° |
| C40 | C41 | O11 | H56 | 117.9° | 120.0° |
| C41 | C40 | C39 | H54 | 56.1° | 180.0° |
| C40 | C41 | C42 | H57 | 94.5° | 180.0° |
| C41 | C40 | O10 | H62 | 61.2° | 60.0° |
| C40 | C41 | O11 | H63 | 55.8° | 180.0° |
| O10 | C40 | C41 | O11 | 51.9° | 60.0° |
| O10 | C40 | C39 | H54 | 61.9° | 60.0° |
| O10 | C40 | C41 | H56 | 67.2° | 180.0° |
| O11 | C41 | C40 | H55 | 173.6° | 60.0° |
| O11 | C41 | C42 | H57 | 145.4° | 60.0° |
| H1 | C4 | C5 | H3 | 83.3° | 60.0° |
| H1 | C4 | C5 | H4 | 35.8° | 180.0° |
| H1 | C4 | C3 | H49 | 166.7° | 179.9° |
| H1 | C4 | C3 | H50 | 47.4° | 59.9° |
| H2 | C4 | C5 | H3 | 157.1° | 180.0° |
| H2 | C4 | C5 | H4 | 83.8° | 60.0° |
| H2 | C4 | C3 | H49 | 73.7° | 60.0° |
| H2 | C4 | C3 | H50 | 167.1° | 180.0° |
| H3 | C5 | C6 | H5 | 48.9° | 180.0° |
| H3 | C5 | C6 | H6 | 70.2° | 60.0° |
| H4 | C5 | C6 | H5 | 168.0° | 60.0° |
| H4 | C5 | C6 | H6 | 48.9° | 180.0° |
| H5 | C6 | C7 | H7 | 175.3° | 180.0° |
| H5 | C6 | C7 | H8 | 55.9° | 60.0° |
| H6 | C6 | C7 | H7 | 65.7° | 59.9° |
| H6 | C6 | C7 | H8 | 174.9° | 180.0° |
| H7 | C7 | C8 | H9 | 115.0° | 180.0° |
| H7 | C7 | C8 | H10 | 4.5° | 60.0° |
| H8 | C7 | C8 | H9 | 125.6° | 60.0° |
| H8 | C7 | C8 | H10 | 114.9° | 180.0° |
| H9 | C8 | C9 | H59 | 59.8° | 180.0° |
| H9 | C8 | C9 | H60 | 60.2° | 59.9° |
| H9 | C8 | C9 | H61 | 179.8° | 60.0° |
| H10 | C8 | C9 | H59 | 59.7° | 60.0° |
| H10 | C8 | C9 | H60 | 179.8° | 180.0° |
| H10 | C8 | C9 | H61 | 60.3° | 60.0° |
| H11 | C10 | C1 | H28 | 179.9° | 179.9° |
| H11 | C10 | C11 | H29 | 94.8° | 65.1° |
| H11 | C10 | C11 | H30 | 146.1° | 175.0° |
| H12 | C13 | C12 | H31 | 154.2° | 60.0° |
| H12 | C13 | C12 | H32 | 86.4° | 180.0° |
| H12 | C13 | C14 | H33 | 49.6° | 180.0° |
| H12 | C13 | C14 | H34 | 168.6° | 60.0° |
| H13 | C13 | C12 | H31 | 35.0° | 180.0° |
| H13 | C13 | C12 | H32 | 154.4° | 60.0° |
| H13 | C13 | C14 | H33 | 69.5° | 60.0° |
| H13 | C13 | C14 | H34 | 49.5° | 180.0° |
| H14 | C15 | C14 | H33 | 176.0° | 179.9° |
| H14 | C15 | C14 | H34 | 65.0° | 60.0° |
| H14 | C15 | C16 | H35 | 62.2° | 180.0° |
| H14 | C15 | C16 | H36 | 178.5° | 60.0° |
| H15 | C15 | C14 | H33 | 56.6° | 60.0° |
| H15 | C15 | C14 | H34 | 175.6° | 180.0° |
| H15 | C15 | C16 | H35 | 57.2° | 60.0° |
| H15 | C15 | C16 | H36 | 62.1° | 180.0° |
| H16 | C17 | C16 | H35 | 123.0° | 179.9° |
| H16 | C17 | C16 | H36 | 3.7° | 60.0° |
| H17 | C17 | C16 | H35 | 117.4° | 60.0° |
| H17 | C17 | C16 | H36 | 123.3° | 180.0° |
| H18 | C20 | C19 | H37 | 28.0° | 55.0° |
| H19 | C20 | C19 | H37 | 148.9° | 64.9° |
| H20 | C22 | C23 | H40 | 168.3° | 180.0° |
| H20 | C22 | C23 | H41 | 72.3° | 59.9° |
| H21 | C22 | C23 | H40 | 49.0° | 59.9° |
| H21 | C22 | C23 | H41 | 168.4° | 180.0° |
| H22 | C24 | C23 | H40 | 53.3° | 179.9° |
| H22 | C24 | C23 | H41 | 66.1° | 60.0° |
| H22 | C24 | C25 | H42 | 153.1° | 180.0° |
| H22 | C24 | C25 | H43 | 33.8° | 60.0° |
| H23 | C24 | C23 | H40 | 172.6° | 60.0° |
| H23 | C24 | C23 | H41 | 53.2° | 180.0° |
| H23 | C24 | C25 | H42 | 87.6° | 60.0° |
| H23 | C24 | C25 | H43 | 153.1° | 180.0° |
| H24 | C26 | C25 | H42 | 159.4° | 180.0° |
| H24 | C26 | C25 | H43 | 81.3° | 60.0° |
| H24 | C26 | C27 | H44 | 47.1° | 180.0° |
| H24 | C26 | C27 | H45 | 166.6° | 60.0° |
| H25 | C26 | C25 | H42 | 81.6° | 60.1° |
| H25 | C26 | C25 | H43 | 37.7° | 180.0° |
| H25 | C26 | C27 | H44 | 166.2° | 60.0° |
| H25 | C26 | C27 | H45 | 74.4° | 180.0° |
| H26 | C28 | C27 | H44 | 155.5° | 180.0° |
| H26 | C28 | C27 | H45 | 85.1° | 59.9° |
| H26 | C28 | C29 | H46 | 72.3° | 180.0° |
| H26 | C28 | C29 | H47 | 166.5° | 60.0° |
| H26 | C28 | C29 | C30 | 47.1° | 60.0° |
| H27 | C28 | C27 | H44 | 36.5° | 59.9° |
| H27 | C28 | C27 | H45 | 155.9° | 180.0° |
| H27 | C28 | C29 | H46 | 168.7° | 60.0° |
| H27 | C28 | C29 | H47 | 47.5° | 180.0° |
| H27 | C28 | C29 | C30 | 71.9° | 60.0° |
| H28 | C1 | C2 | H38 | 5.6° | 65.0° |
| H28 | C1 | C2 | H39 | 113.7° | 175.0° |
| H29 | C11 | C12 | H31 | 104.7° | 60.0° |
| H29 | C11 | C12 | H32 | 135.9° | 180.0° |
| H30 | C11 | C12 | H31 | 14.5° | 180.0° |
| H30 | C11 | C12 | H32 | 105.0° | 60.0° |
| H37 | C19 | C37 | H51 | 80.7° | 65.0° |
| H37 | C19 | C37 | H52 | 38.9° | 55.0° |
| H38 | C2 | C3 | H49 | 67.3° | 59.9° |
| H38 | C2 | C3 | H50 | 173.5° | 180.0° |
| H39 | C2 | C3 | H49 | 52.1° | 180.0° |
| H39 | C2 | C3 | H50 | 67.2° | 60.0° |
| H46 | C29 | H47 | C30 | 121.8° | 120.0° |
| H46 | C29 | C30 | C31 | 90.0° | 60.0° |
| H46 | C29 | C30 | H48 | 90.0° | 180.0° |
| H46 | C29 | C30 | H68 | 90.0° | 60.0° |
| H47 | C29 | C30 | C31 | 90.0° | 60.0° |
| H47 | C29 | C30 | H48 | 90.0° | 60.0° |
| H47 | C29 | C30 | H68 | 90.0° | 180.0° |
| H53 | C38 | C39 | H54 | 48.5° | 60.1° |
| H53 | C38 | C43 | H58 | 97.0° | 180.0° |
| H54 | C39 | C40 | H55 | 176.4° | 60.0° |
| H54 | C39 | O9 | H67 | 60.2° | 60.0° |
| H55 | C40 | C41 | H56 | 54.6° | 60.0° |
| H55 | C40 | O10 | H62 | 59.4° | 60.0° |
| H56 | C41 | C42 | H57 | 26.5° | 60.0° |
| H56 | C41 | O11 | H63 | 62.2° | 60.0° |
| H57 | C42 | C43 | H58 | 9.5° | 60.0° |
| H57 | C42 | O12 | H64 | 63.1° | 60.0° |
| H58 | C43 | O13 | H65 | 64.4° | 60.0° |
| H59 | C9 | H60 | H61 | 120.0° | 120.1° |
| C29 | C30 | C31 | H48 | 90.0° | 120.0° |
| C29 | C30 | C31 | H68 | 90.0° | 120.0° |
| C29 | C30 | C31 | C32 | 90.0° | 180.0° |
| C29 | C30 | H48 | H68 | 90.0° | 120.0° |
| C29 | C30 | C31 | H69 | 90.0° | 60.0° |
| C29 | C30 | C31 | H70 | 90.0° | 60.0° |
| C30 | C31 | C32 | H69 | 90.0° | 120.1° |
| C30 | C31 | C32 | H70 | 90.0° | 120.0° |
| C30 | C31 | C32 | C33 | 90.0° | 179.9° |
| C31 | C30 | H48 | H68 | 90.0° | 120.0° |
| C30 | C31 | H69 | H70 | 90.0° | 120.0° |
| C30 | C31 | C32 | H71 | 90.0° | 60.0° |
| C30 | C31 | C32 | H72 | 90.0° | 60.0° |
| C31 | C32 | C33 | H71 | 90.0° | 120.0° |
| C31 | C32 | C33 | H72 | 90.0° | 120.0° |
| C31 | C32 | C33 | C34 | 90.0° | 180.0° |
| C32 | C31 | C30 | H48 | 90.0° | 60.0° |
| C32 | C31 | C30 | H68 | 90.0° | 60.0° |
| C32 | C31 | H69 | H70 | 90.0° | 120.0° |
| C31 | C32 | H71 | H72 | 90.0° | 120.0° |
| C31 | C32 | C33 | H73 | 90.0° | 60.0° |
| C31 | C32 | C33 | H74 | 90.0° | 60.0° |
| C32 | C33 | C34 | H73 | 90.0° | 120.0° |
| C32 | C33 | C34 | H74 | 90.0° | 120.0° |
| C32 | C33 | C34 | C35 | 90.0° | 180.0° |
| C33 | C32 | C31 | H69 | 90.0° | 60.0° |
| C33 | C32 | C31 | H70 | 90.0° | 60.0° |
| C33 | C32 | H71 | H72 | 90.0° | 120.0° |
| C32 | C33 | H73 | H74 | 90.0° | 120.0° |
| C32 | C33 | C34 | H75 | 90.0° | 60.0° |
| C32 | C33 | C34 | H76 | 90.0° | 60.0° |
| C33 | C34 | C35 | H75 | 90.0° | 120.0° |
| C33 | C34 | C35 | H76 | 90.0° | 120.0° |
| C33 | C34 | C35 | C36 | 90.0° | 180.0° |
| C34 | C33 | C32 | H71 | 90.0° | 60.0° |
| C34 | C33 | C32 | H72 | 90.0° | 60.0° |
| C34 | C33 | H73 | H74 | 90.0° | 120.0° |
| C33 | C34 | H75 | H76 | 90.0° | 120.0° |
| C33 | C34 | C35 | H77 | 90.0° | 60.0° |
| C33 | C34 | C35 | H78 | 90.0° | 60.0° |
| C34 | C35 | C36 | H77 | 90.0° | 120.0° |
| C34 | C35 | C36 | H78 | 90.0° | 120.0° |
| C35 | C34 | C33 | H73 | 90.0° | 60.0° |
| C35 | C34 | C33 | H74 | 90.0° | 60.0° |
| C35 | C34 | H75 | H76 | 90.0° | 120.0° |
| C34 | C35 | H77 | H78 | 90.0° | 120.0° |
| C34 | C35 | C36 | H79 | 90.0° | 179.9° |
| C34 | C35 | C36 | H80 | 90.0° | 60.0° |
| C34 | C35 | C36 | H81 | 90.0° | 60.0° |
| C36 | C35 | C34 | H75 | 90.0° | 60.0° |
| C36 | C35 | C34 | H76 | 90.0° | 60.0° |
| C36 | C35 | H77 | H78 | 90.0° | 120.0° |
| C35 | C36 | H79 | H80 | 90.0° | 120.0° |
| C35 | C36 | H79 | H81 | 90.0° | 120.0° |
| C35 | C36 | H80 | H81 | 90.0° | 120.0° |
| H48 | C30 | C31 | H69 | 90.0° | 180.0° |
| H48 | C30 | C31 | H70 | 90.0° | 60.0° |
| H68 | C30 | C31 | H69 | 90.0° | 60.0° |
| H68 | C30 | C31 | H70 | 90.0° | 180.0° |
| H69 | C31 | C32 | H71 | 90.0° | 179.9° |
| H69 | C31 | C32 | H72 | 90.0° | 60.0° |
| H70 | C31 | C32 | H71 | 90.0° | 59.9° |
| H70 | C31 | C32 | H72 | 90.0° | 180.0° |
| H71 | C32 | C33 | H73 | 90.0° | 180.0° |
| H71 | C32 | C33 | H74 | 90.0° | 60.0° |
| H72 | C32 | C33 | H73 | 90.0° | 60.0° |
| H72 | C32 | C33 | H74 | 90.0° | 180.0° |
| H73 | C33 | C34 | H75 | 90.0° | 180.0° |
| H73 | C33 | C34 | H76 | 90.0° | 60.0° |
| H74 | C33 | C34 | H75 | 90.0° | 60.0° |
| H74 | C33 | C34 | H76 | 90.0° | 180.0° |
| H75 | C34 | C35 | H77 | 90.0° | 180.0° |
| H75 | C34 | C35 | H78 | 90.0° | 60.0° |
| H76 | C34 | C35 | H77 | 90.0° | 60.0° |
| H76 | C34 | C35 | H78 | 90.0° | NaN° |
| H77 | C35 | C36 | H79 | 90.0° | 60.0° |
| H77 | C35 | C36 | H80 | 90.0° | 180.0° |
| H77 | C35 | C36 | H81 | 90.0° | 60.0° |
| H78 | C35 | C36 | H79 | 90.0° | 60.0° |
| H78 | C35 | C36 | H80 | 90.0° | 60.0° |
| H78 | C35 | C36 | H81 | 90.0° | 180.0° |
| H79 | C36 | H80 | H81 | 90.0° | 120.0° |
