PT5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | sing | 1.51Å | 1.50Å | |
| C23 | C22 | sing | 1.51Å | 1.50Å | |
| C22 | C21 | doub | 1.31Å | 1.32Å | |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| C20 | C19 | sing | 1.51Å | 1.50Å | |
| C19 | C18 | doub | 1.31Å | 1.32Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C16 | C15 | doub | 1.31Å | 1.32Å | |
| C18 | C17 | sing | 1.51Å | 1.50Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| O17 | C10 | doub | 1.21Å | 1.20Å | |
| O52 | P5 | doub | 1.48Å | 1.52Å | |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| C12 | C10 | sing | 1.51Å | 1.50Å | |
| O53 | P5 | sing | 1.61Å | 1.52Å | |
| C10 | O16 | sing | 1.34Å | 1.34Å | |
| P5 | O5 | sing | 1.61Å | 1.61Å | |
| P5 | O51 | sing | 1.61Å | 1.52Å | |
| O5 | C5 | sing | 1.43Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C6 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.47Å | |
| O16 | C8 | sing | 1.45Å | 1.45Å | |
| C7 | O13 | sing | 1.43Å | 1.45Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| O13 | P1 | sing | 1.61Å | 1.61Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| O4 | C4 | sing | 1.43Å | 1.47Å | |
| O4 | P4 | sing | 1.61Å | 1.61Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| O1 | P1 | sing | 1.61Å | 1.61Å | |
| O42 | P4 | doub | 1.48Å | 1.52Å | |
| P1 | O11 | doub | 1.48Å | 1.50Å | |
| P1 | O12 | sing | 1.61Å | 1.50Å | |
| P4 | O41 | sing | 1.61Å | 1.52Å | |
| P4 | O43 | sing | 1.61Å | 1.52Å | |
| C9 | O18 | sing | 1.45Å | 1.44Å | |
| C31 | C11 | sing | 1.51Å | 1.50Å | |
| C31 | C32 | sing | 1.53Å | 1.50Å | |
| O18 | C11 | sing | 1.34Å | 1.33Å | |
| C11 | O19 | doub | 1.21Å | 1.20Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| C40 | C39 | sing | 1.53Å | 1.51Å | |
| C39 | C38 | sing | 1.53Å | 1.51Å | |
| O12 | H1 | sing | 0.97Å | 0.95Å | |
| O6 | H2 | sing | 0.97Å | 0.95Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| O2 | H6 | sing | 0.97Å | 0.95Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| O41 | H10 | sing | 0.97Å | 0.95Å | |
| O43 | H11 | sing | 0.97Å | 0.95Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| O51 | H13 | sing | 0.97Å | 0.95Å | |
| O53 | H14 | sing | 0.97Å | 0.95Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.08Å | 1.08Å | |
| C16 | H28 | sing | 1.08Å | 1.08Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.08Å | 1.08Å | |
| C19 | H33 | sing | 1.08Å | 1.08Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.08Å | 1.08Å | |
| C22 | H38 | sing | 1.08Å | 1.08Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | H42 | sing | 1.08Å | 1.08Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C31 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å | |
| C32 | H48 | sing | 1.09Å | 1.10Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| C33 | H50 | sing | 1.09Å | 1.10Å | |
| C34 | H51 | sing | 1.09Å | 1.10Å | |
| C34 | H52 | sing | 1.09Å | 1.10Å | |
| C35 | H53 | sing | 1.09Å | 1.10Å | |
| C35 | H54 | sing | 1.09Å | 1.10Å | |
| C36 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| C37 | H57 | sing | 1.09Å | 1.10Å | |
| C37 | H58 | sing | 1.09Å | 1.10Å | |
| C38 | H59 | sing | 1.09Å | 1.10Å | |
| C38 | H60 | sing | 1.09Å | 1.10Å | |
| C39 | H61 | sing | 1.09Å | 1.10Å | |
| C39 | H62 | sing | 1.09Å | 1.10Å | |
| C40 | H63 | sing | 1.09Å | 1.10Å | |
| C40 | H64 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | doub | 1.31Å | 274.29Å | |
| C25 | C26 | sing | 1.51Å | 0.00Å | |
| C26 | C27 | sing | 1.53Å | 0.00Å | |
| C27 | C28 | sing | 1.53Å | 0.00Å | |
| C28 | C29 | sing | 1.53Å | 0.00Å | |
| C29 | C30 | sing | 1.53Å | 0.00Å | |
| C40 | C41 | sing | 1.53Å | 286.63Å | |
| C41 | C42 | sing | 1.53Å | 0.00Å | |
| C42 | C43 | sing | 1.53Å | 0.00Å | |
| C43 | C44 | sing | 1.53Å | 0.00Å | |
| C44 | C45 | sing | 1.53Å | 0.00Å | |
| C45 | C46 | sing | 1.53Å | 0.00Å | |
| C46 | C47 | sing | 1.53Å | 0.00Å | |
| C25 | H27 | sing | 1.08Å | 0.00Å | |
| C26 | H29 | sing | 1.09Å | 0.00Å | |
| C26 | H37 | sing | 1.09Å | 0.00Å | |
| C27 | H39 | sing | 1.09Å | 0.00Å | |
| C27 | H43 | sing | 1.09Å | 0.00Å | |
| C28 | H44 | sing | 1.09Å | 0.00Å | |
| C28 | H65 | sing | 1.09Å | 0.00Å | |
| C29 | H66 | sing | 1.09Å | 0.00Å | |
| C29 | H67 | sing | 1.09Å | 0.00Å | |
| C30 | H68 | sing | 1.09Å | 0.00Å | |
| C30 | H69 | sing | 1.09Å | 0.00Å | |
| C30 | H70 | sing | 1.09Å | 0.00Å | |
| C41 | H71 | sing | 1.09Å | 0.00Å | |
| C41 | H72 | sing | 1.09Å | 0.00Å | |
| C42 | H73 | sing | 1.09Å | 0.00Å | |
| C42 | H74 | sing | 1.09Å | 0.00Å | |
| C43 | H75 | sing | 1.09Å | 0.00Å | |
| C43 | H76 | sing | 1.09Å | 0.00Å | |
| C44 | H77 | sing | 1.09Å | 0.00Å | |
| C44 | H78 | sing | 1.09Å | 0.00Å | |
| C45 | H79 | sing | 1.09Å | 0.00Å | |
| C45 | H80 | sing | 1.09Å | 0.00Å | |
| C46 | H81 | sing | 1.09Å | 0.00Å | |
| C46 | H82 | sing | 1.09Å | 0.00Å | |
| C47 | H83 | sing | 1.09Å | 0.00Å | |
| C47 | H84 | sing | 1.09Å | 0.00Å | |
| C47 | H85 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C22 | 114.5° | 109.5° |
| C24 | C23 | H40 | 108.2° | 109.5° |
| C24 | C23 | H41 | 108.2° | 109.5° |
| C23 | C24 | H42 | 124.3° | 120.0° |
| C23 | C24 | C25 | 111.4° | 120.0° |
| C23 | C22 | C21 | 125.7° | 120.0° |
| C23 | C22 | H38 | 117.2° | 120.0° |
| C22 | C23 | H40 | 108.2° | 109.4° |
| C22 | C23 | H41 | 108.2° | 109.5° |
| C22 | C21 | C20 | 125.6° | 120.0° |
| C22 | C21 | H36 | 117.2° | 120.0° |
| C21 | C22 | H38 | 117.2° | 120.0° |
| C21 | C20 | C19 | 114.6° | 109.5° |
| C21 | C20 | H34 | 108.2° | 109.4° |
| C21 | C20 | H35 | 108.2° | 109.5° |
| C20 | C21 | H36 | 117.2° | 120.0° |
| C20 | C19 | C18 | 125.7° | 120.0° |
| C20 | C19 | H33 | 117.2° | 120.0° |
| C19 | C20 | H34 | 108.2° | 109.5° |
| C19 | C20 | H35 | 108.2° | 109.5° |
| C19 | C18 | C17 | 125.7° | 120.0° |
| C19 | C18 | H32 | 117.1° | 120.0° |
| C18 | C19 | H33 | 117.2° | 120.0° |
| C17 | C16 | C15 | 125.7° | 120.0° |
| C16 | C17 | C18 | 114.5° | 109.5° |
| C17 | C16 | H28 | 117.1° | 120.0° |
| C16 | C17 | H30 | 108.2° | 109.5° |
| C16 | C17 | H31 | 108.2° | 109.5° |
| C16 | C15 | C14 | 125.7° | 120.0° |
| C16 | C15 | H26 | 117.1° | 120.0° |
| C15 | C16 | H28 | 117.2° | 120.0° |
| C18 | C17 | H30 | 108.2° | 109.5° |
| C18 | C17 | H31 | 108.2° | 109.4° |
| C17 | C18 | H32 | 117.2° | 120.0° |
| C15 | C14 | C13 | 113.2° | 109.5° |
| C15 | C14 | H24 | 108.5° | 109.5° |
| C15 | C14 | H25 | 108.5° | 109.4° |
| C14 | C15 | H26 | 117.2° | 120.0° |
| C14 | C13 | C12 | 112.1° | 109.5° |
| C14 | C13 | H22 | 108.8° | 109.5° |
| C14 | C13 | H23 | 108.8° | 109.4° |
| C13 | C14 | H24 | 108.5° | 109.5° |
| C13 | C14 | H25 | 108.6° | 109.4° |
| C13 | C12 | C10 | 113.4° | 109.5° |
| C13 | C12 | H20 | 108.5° | 109.5° |
| C13 | C12 | H21 | 108.5° | 109.5° |
| C12 | C13 | H22 | 108.8° | 109.5° |
| C12 | C13 | H23 | 108.8° | 109.5° |
| O17 | C10 | C12 | 124.7° | 120.0° |
| O17 | C10 | O16 | 122.3° | 120.0° |
| O52 | P5 | O53 | 112.1° | 109.5° |
| O52 | P5 | O5 | 106.6° | 109.5° |
| O52 | P5 | O51 | 112.1° | 109.5° |
| O6 | C6 | C5 | 110.0° | 109.5° |
| O6 | C6 | C1 | 110.1° | 109.4° |
| C6 | O6 | H2 | 109.5° | 114.0° |
| O6 | C6 | H4 | 109.3° | 109.5° |
| C12 | C10 | O16 | 113.0° | 120.0° |
| C10 | C12 | H20 | 108.5° | 109.5° |
| C10 | C12 | H21 | 108.5° | 109.5° |
| O53 | P5 | O5 | 106.7° | 109.5° |
| O53 | P5 | O51 | 112.2° | 109.4° |
| P5 | O53 | H14 | 109.5° | 114.1° |
| C10 | O16 | C8 | 117.9° | 117.0° |
| O5 | P5 | O51 | 106.5° | 109.5° |
| P5 | O5 | C5 | 122.4° | 123.0° |
| P5 | O51 | H13 | 109.5° | 114.0° |
| O5 | C5 | C6 | 108.1° | 109.4° |
| O5 | C5 | C4 | 108.1° | 109.5° |
| O5 | C5 | H12 | 110.5° | 109.4° |
| C6 | C5 | C4 | 110.8° | 109.5° |
| C5 | C6 | C1 | 111.4° | 109.5° |
| C5 | C6 | H4 | 108.0° | 109.5° |
| C6 | C5 | H12 | 109.6° | 109.5° |
| C5 | C4 | O4 | 108.1° | 109.5° |
| C5 | C4 | C3 | 111.4° | 109.4° |
| C5 | C4 | H9 | 109.5° | 109.5° |
| C4 | C5 | H12 | 109.7° | 109.5° |
| C6 | C1 | C2 | 111.3° | 109.5° |
| C6 | C1 | O1 | 108.0° | 109.5° |
| C6 | C1 | H3 | 109.5° | 109.5° |
| C1 | C6 | H4 | 108.1° | 109.4° |
| C2 | C1 | O1 | 108.2° | 109.5° |
| C1 | C2 | O2 | 110.2° | 109.4° |
| C1 | C2 | C3 | 110.8° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C1 | C2 | H5 | 108.3° | 109.4° |
| C1 | O1 | P1 | 122.6° | 123.0° |
| O1 | C1 | H3 | 110.3° | 109.5° |
| O16 | C8 | C7 | 109.0° | 109.5° |
| O16 | C8 | C9 | 108.9° | 109.5° |
| O16 | C8 | H17 | 108.9° | 109.5° |
| O13 | C7 | C8 | 109.6° | 109.5° |
| C7 | O13 | P1 | 119.2° | 123.0° |
| O13 | C7 | H15 | 109.4° | 109.5° |
| O13 | C7 | H16 | 109.5° | 109.5° |
| C7 | C8 | C9 | 113.5° | 109.5° |
| C8 | C7 | H15 | 109.5° | 109.4° |
| C8 | C7 | H16 | 109.4° | 109.4° |
| C7 | C8 | H17 | 108.2° | 109.5° |
| O2 | C2 | C3 | 109.6° | 109.5° |
| O2 | C2 | H5 | 109.6° | 109.5° |
| C2 | O2 | H6 | 109.5° | 114.0° |
| C2 | C3 | C4 | 111.4° | 109.5° |
| C2 | C3 | O3 | 109.6° | 109.4° |
| C3 | C2 | H5 | 108.3° | 109.5° |
| C2 | C3 | H7 | 108.2° | 109.5° |
| O13 | P1 | O1 | 101.7° | 109.4° |
| O13 | P1 | O11 | 108.7° | 109.4° |
| O13 | P1 | O12 | 108.7° | 109.5° |
| C8 | C9 | O18 | 108.6° | 109.5° |
| C9 | C8 | H17 | 108.2° | 109.4° |
| C8 | C9 | H18 | 109.7° | 109.5° |
| C8 | C9 | H19 | 109.7° | 109.4° |
| C4 | O4 | P4 | 122.3° | 123.0° |
| O4 | C4 | C3 | 108.1° | 109.5° |
| O4 | C4 | H9 | 110.3° | 109.5° |
| O4 | P4 | O42 | 106.6° | 109.5° |
| O4 | P4 | O41 | 106.6° | 109.5° |
| O4 | P4 | O43 | 106.6° | 109.5° |
| C4 | C3 | O3 | 110.0° | 109.4° |
| C4 | C3 | H7 | 108.2° | 109.5° |
| C3 | C4 | H9 | 109.5° | 109.5° |
| O3 | C3 | H7 | 109.4° | 109.4° |
| C3 | O3 | H8 | 109.5° | 114.0° |
| O1 | P1 | O11 | 109.3° | 109.5° |
| O1 | P1 | O12 | 109.1° | 109.5° |
| O42 | P4 | O41 | 112.2° | 109.5° |
| O42 | P4 | O43 | 112.2° | 109.4° |
| O11 | P1 | O12 | 118.1° | 109.5° |
| P1 | O12 | H1 | 109.5° | 114.0° |
| O41 | P4 | O43 | 112.2° | 109.5° |
| P4 | O41 | H10 | 109.5° | 114.0° |
| P4 | O43 | H11 | 109.5° | 114.0° |
| C9 | O18 | C11 | 116.2° | 117.0° |
| O18 | C9 | H18 | 109.7° | 109.5° |
| O18 | C9 | H19 | 109.7° | 109.5° |
| C11 | C31 | C32 | 113.3° | 109.5° |
| C31 | C11 | O18 | 111.5° | 120.0° |
| C31 | C11 | O19 | 125.2° | 120.0° |
| C11 | C31 | H45 | 108.5° | 109.4° |
| C11 | C31 | H46 | 108.5° | 109.6° |
| C31 | C32 | C33 | 112.6° | 109.5° |
| C32 | C31 | H45 | 108.5° | 109.4° |
| C32 | C31 | H46 | 108.5° | 109.5° |
| C31 | C32 | H47 | 108.7° | 109.5° |
| C31 | C32 | H48 | 108.7° | 109.4° |
| O18 | C11 | O19 | 123.3° | 120.0° |
| C32 | C33 | C34 | 114.3° | 109.5° |
| C33 | C32 | H47 | 108.7° | 109.5° |
| C33 | C32 | H48 | 108.7° | 109.5° |
| C32 | C33 | H49 | 108.3° | 109.5° |
| C32 | C33 | H50 | 108.3° | 109.4° |
| C33 | C34 | C35 | 114.3° | 109.5° |
| C34 | C33 | H49 | 108.3° | 109.5° |
| C34 | C33 | H50 | 108.3° | 109.5° |
| C33 | C34 | H51 | 108.3° | 109.4° |
| C33 | C34 | H52 | 108.3° | 109.4° |
| C34 | C35 | C36 | 114.3° | 109.5° |
| C35 | C34 | H51 | 108.3° | 109.5° |
| C35 | C34 | H52 | 108.2° | 109.5° |
| C34 | C35 | H53 | 108.3° | 109.5° |
| C34 | C35 | H54 | 108.3° | 109.5° |
| C35 | C36 | C37 | 114.2° | 109.5° |
| C36 | C35 | H53 | 108.3° | 109.5° |
| C36 | C35 | H54 | 108.2° | 109.5° |
| C35 | C36 | H55 | 108.2° | 109.4° |
| C35 | C36 | H56 | 108.3° | 109.4° |
| C36 | C37 | C38 | 114.2° | 109.4° |
| C37 | C36 | H55 | 108.3° | 109.5° |
| C37 | C36 | H56 | 108.3° | 109.5° |
| C36 | C37 | H57 | 108.3° | 109.5° |
| C36 | C37 | H58 | 108.3° | 109.5° |
| C37 | C38 | C39 | 114.3° | 109.4° |
| C38 | C37 | H57 | 108.2° | 109.5° |
| C38 | C37 | H58 | 108.3° | 109.5° |
| C37 | C38 | H59 | 108.3° | 109.5° |
| C37 | C38 | H60 | 108.3° | 109.4° |
| C40 | C39 | C38 | 114.2° | 109.5° |
| C40 | C39 | H61 | 108.3° | 109.4° |
| C40 | C39 | H62 | 108.3° | 109.4° |
| C39 | C40 | H63 | 106.0° | 109.5° |
| C39 | C40 | H64 | 106.0° | 109.4° |
| C39 | C40 | C41 | 123.0° | 109.5° |
| C39 | C38 | H59 | 108.3° | 109.5° |
| C39 | C38 | H60 | 108.3° | 109.4° |
| C38 | C39 | H61 | 108.3° | 109.5° |
| C38 | C39 | H62 | 108.3° | 109.4° |
| H15 | C7 | H16 | 109.5° | 109.5° |
| H18 | C9 | H19 | 109.5° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.4° |
| H22 | C13 | H23 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.5° | 109.5° |
| H30 | C17 | H31 | 109.5° | 109.5° |
| H34 | C20 | H35 | 109.5° | 109.5° |
| H40 | C23 | H41 | 109.5° | 109.4° |
| H42 | C24 | C25 | 124.3° | 120.0° |
| H45 | C31 | H46 | 109.5° | 109.5° |
| H47 | C32 | H48 | 109.5° | 109.5° |
| H49 | C33 | H50 | 109.4° | 109.5° |
| H51 | C34 | H52 | 109.4° | 109.5° |
| H53 | C35 | H54 | 109.5° | 109.5° |
| H55 | C36 | H56 | 109.5° | 109.5° |
| H57 | C37 | H58 | 109.5° | 109.5° |
| H59 | C38 | H60 | 109.5° | 109.5° |
| H61 | C39 | H62 | 109.5° | 109.5° |
| H63 | C40 | H64 | 109.4° | 109.4° |
| H63 | C40 | C41 | 106.0° | 109.6° |
| H64 | C40 | C41 | 106.0° | 109.5° |
| C24 | C25 | C26 | 90.0° | 120.0° |
| C24 | C25 | H27 | 90.0° | 120.0° |
| C25 | C26 | C27 | 90.0° | 109.5° |
| C26 | C25 | H27 | 90.0° | 120.0° |
| C25 | C26 | H29 | 90.0° | 109.4° |
| C25 | C26 | H37 | 90.0° | 109.4° |
| C26 | C27 | C28 | 90.0° | 109.5° |
| C27 | C26 | H29 | 90.0° | 109.5° |
| C27 | C26 | H37 | 90.0° | 109.5° |
| C26 | C27 | H39 | 90.0° | 109.5° |
| C26 | C27 | H43 | 90.0° | 109.5° |
| C27 | C28 | C29 | 90.0° | 109.5° |
| C28 | C27 | H39 | 90.0° | 109.5° |
| C28 | C27 | H43 | 90.0° | 109.4° |
| C27 | C28 | H44 | 90.0° | 109.5° |
| C27 | C28 | H65 | 90.0° | 109.4° |
| C28 | C29 | C30 | 90.0° | 109.5° |
| C29 | C28 | H44 | 90.0° | 109.5° |
| C29 | C28 | H65 | 90.0° | 109.4° |
| C28 | C29 | H66 | 90.0° | 109.5° |
| C28 | C29 | H67 | 90.0° | 109.4° |
| C30 | C29 | H66 | 90.0° | 109.5° |
| C30 | C29 | H67 | 90.0° | 109.5° |
| C29 | C30 | H68 | 90.0° | 109.4° |
| C29 | C30 | H69 | 90.0° | 109.5° |
| C29 | C30 | H70 | 90.0° | 109.5° |
| C40 | C41 | C42 | 90.0° | 109.4° |
| C40 | C41 | H71 | 90.0° | 109.5° |
| C40 | C41 | H72 | 90.0° | 109.5° |
| C41 | C42 | C43 | 90.0° | 109.5° |
| C42 | C41 | H71 | 90.0° | 109.4° |
| C42 | C41 | H72 | 90.0° | 109.4° |
| C41 | C42 | H73 | 90.0° | 109.5° |
| C41 | C42 | H74 | 90.0° | 109.5° |
| C42 | C43 | C44 | 90.0° | 109.4° |
| C43 | C42 | H73 | 90.0° | 109.5° |
| C43 | C42 | H74 | 90.0° | 109.5° |
| C42 | C43 | H75 | 90.0° | 109.5° |
| C42 | C43 | H76 | 90.0° | 109.5° |
| C43 | C44 | C45 | 90.0° | 109.5° |
| C44 | C43 | H75 | 90.0° | 109.5° |
| C44 | C43 | H76 | 90.0° | 109.4° |
| C43 | C44 | H77 | 90.0° | 109.5° |
| C43 | C44 | H78 | 90.0° | 109.5° |
| C44 | C45 | C46 | 90.0° | 109.5° |
| C45 | C44 | H77 | 90.0° | 109.5° |
| C45 | C44 | H78 | 90.0° | 109.4° |
| C44 | C45 | H79 | 90.0° | 109.5° |
| C44 | C45 | H80 | 90.0° | 109.5° |
| C45 | C46 | C47 | 90.0° | 109.5° |
| C46 | C45 | H79 | 90.0° | 109.4° |
| C46 | C45 | H80 | 90.0° | 109.4° |
| C45 | C46 | H81 | 90.0° | 109.4° |
| C45 | C46 | H82 | 90.0° | 109.5° |
| C47 | C46 | H81 | 90.0° | 109.4° |
| C47 | C46 | H82 | 90.0° | 109.5° |
| C46 | C47 | H83 | 90.0° | 109.5° |
| C46 | C47 | H84 | 90.0° | 109.5° |
| C46 | C47 | H85 | 90.0° | 109.5° |
| H29 | C26 | H37 | 90.0° | 109.6° |
| H39 | C27 | H43 | 90.0° | 109.5° |
| H44 | C28 | H65 | 90.0° | 109.5° |
| H66 | C29 | H67 | 90.0° | 109.4° |
| H68 | C30 | H69 | 90.0° | 109.5° |
| H68 | C30 | H70 | 90.0° | 109.5° |
| H69 | C30 | H70 | 90.0° | 109.5° |
| H71 | C41 | H72 | 90.0° | 109.5° |
| H73 | C42 | H74 | 90.0° | 109.5° |
| H75 | C43 | H76 | 90.0° | 109.5° |
| H77 | C44 | H78 | 90.0° | 109.4° |
| H79 | C45 | H80 | 90.0° | 109.5° |
| H81 | C46 | H82 | 90.0° | 109.5° |
| H83 | C47 | H84 | 90.0° | 109.5° |
| H83 | C47 | H85 | 90.0° | 109.4° |
| H84 | C47 | H85 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C22 | H40 | 120.7° | 120.0° |
| C24 | C23 | C22 | H41 | 120.7° | 120.0° |
| C24 | C23 | C22 | C21 | 30.2° | 125.0° |
| C24 | C23 | C22 | H38 | 149.8° | 55.0° |
| C24 | C23 | H40 | H41 | 117.7° | 120.0° |
| C23 | C24 | H42 | C25 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 90.0° | 180.0° |
| C23 | C24 | C25 | H27 | 90.0° | 0.0° |
| C23 | C22 | C21 | H38 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 96.8° | 180.0° |
| C23 | C22 | C21 | H36 | 83.2° | 0.0° |
| C22 | C23 | H40 | H41 | 117.7° | 120.0° |
| C22 | C23 | C24 | H42 | 97.1° | 55.0° |
| C22 | C23 | C24 | C25 | 82.9° | 125.0° |
| C22 | C21 | C20 | H36 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 25.8° | 125.0° |
| C22 | C21 | C20 | H34 | 146.5° | 5.0° |
| C22 | C21 | C20 | H35 | 95.0° | 115.0° |
| C21 | C22 | C23 | H40 | 151.0° | 115.0° |
| C21 | C22 | C23 | H41 | 90.5° | 4.9° |
| C21 | C20 | C19 | H34 | 120.7° | 119.9° |
| C21 | C20 | C19 | H35 | 120.7° | 120.0° |
| C21 | C20 | C19 | C18 | 88.9° | 126.3° |
| C21 | C20 | C19 | H33 | 91.1° | 53.6° |
| C21 | C20 | H34 | H35 | 117.7° | 120.0° |
| C20 | C21 | C22 | H38 | 83.2° | 0.0° |
| C20 | C19 | C18 | H33 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 3.5° | 7.6° |
| C20 | C19 | C18 | H32 | 176.4° | 172.5° |
| C19 | C20 | H34 | H35 | 117.7° | 120.1° |
| C19 | C20 | C21 | H36 | 154.2° | 55.0° |
| C19 | C18 | C17 | C16 | 37.6° | 127.6° |
| C19 | C18 | C17 | H32 | 180.0° | 179.9° |
| C19 | C18 | C17 | H30 | 83.2° | 7.5° |
| C19 | C18 | C17 | H31 | 158.3° | 112.4° |
| C18 | C19 | C20 | H34 | 31.8° | 113.7° |
| C18 | C19 | C20 | H35 | 150.4° | 6.3° |
| C17 | C16 | C15 | H28 | 180.0° | 180.0° |
| C16 | C17 | C18 | H30 | 120.8° | 120.0° |
| C16 | C17 | C18 | H31 | 120.7° | 120.0° |
| C17 | C16 | C15 | C14 | 66.4° | 7.6° |
| C17 | C16 | C15 | H26 | 113.6° | 172.5° |
| C16 | C17 | H30 | H31 | 117.7° | 120.0° |
| C16 | C17 | C18 | H32 | 142.4° | 52.4° |
| C15 | C16 | C17 | C18 | 111.0° | 126.3° |
| C16 | C15 | C14 | H26 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 51.7° | 127.6° |
| C16 | C15 | C14 | H24 | 68.9° | 7.6° |
| C16 | C15 | C14 | H25 | 172.2° | 112.5° |
| C15 | C16 | C17 | H30 | 128.3° | 113.7° |
| C15 | C16 | C17 | H31 | 9.7° | 6.3° |
| C18 | C17 | C16 | H28 | 69.0° | 53.7° |
| C18 | C17 | H30 | H31 | 117.7° | 119.9° |
| C17 | C18 | C19 | H33 | 176.5° | 172.5° |
| C15 | C14 | C13 | H24 | 120.6° | 120.0° |
| C15 | C14 | C13 | H25 | 120.5° | 119.9° |
| C15 | C14 | C13 | C12 | 121.3° | 180.0° |
| C15 | C14 | C13 | H22 | 1.0° | 60.0° |
| C15 | C14 | C13 | H23 | 118.3° | 60.0° |
| C15 | C14 | H24 | H25 | 118.2° | 120.0° |
| C14 | C15 | C16 | H28 | 113.6° | 172.4° |
| C14 | C13 | C12 | H22 | 120.4° | 120.0° |
| C14 | C13 | C12 | H23 | 120.4° | 120.0° |
| C14 | C13 | C12 | C10 | 68.5° | 180.0° |
| C14 | C13 | C12 | H20 | 52.1° | 59.9° |
| C14 | C13 | C12 | H21 | 171.0° | 60.0° |
| C14 | C13 | H22 | H23 | 118.8° | 120.0° |
| C13 | C14 | H24 | H25 | 118.3° | 120.0° |
| C13 | C14 | C15 | H26 | 128.3° | 52.3° |
| C13 | C12 | C10 | O17 | 3.6° | 0.0° |
| C13 | C12 | C10 | H20 | 120.6° | 120.1° |
| C13 | C12 | C10 | H21 | 120.6° | 120.0° |
| C13 | C12 | C10 | O16 | 176.3° | 180.0° |
| C13 | C12 | H20 | H21 | 118.2° | 120.0° |
| C12 | C13 | H22 | H23 | 118.8° | 120.0° |
| C12 | C13 | C14 | H24 | 118.1° | 60.0° |
| C12 | C13 | C14 | H25 | 0.8° | 60.1° |
| O17 | C10 | C12 | O16 | 179.9° | 180.0° |
| O17 | C10 | O16 | C8 | 42.3° | 0.0° |
| O17 | C10 | C12 | H20 | 124.2° | 120.0° |
| O17 | C10 | C12 | H21 | 117.0° | 120.0° |
| O52 | P5 | O53 | O5 | 116.4° | 120.0° |
| O52 | P5 | O53 | O51 | 127.2° | 120.0° |
| O52 | P5 | O5 | O51 | 119.9° | 120.0° |
| O52 | P5 | O5 | C5 | 135.0° | 55.0° |
| O52 | P5 | O51 | H13 | 0.0° | 60.0° |
| O52 | P5 | O53 | H14 | 0.0° | 180.0° |
| O6 | C6 | C5 | O5 | 64.0° | 60.0° |
| O6 | C6 | C5 | C1 | 122.3° | 120.0° |
| O6 | C6 | C5 | H4 | 119.2° | 120.1° |
| O6 | C6 | C5 | C4 | 177.7° | 180.0° |
| O6 | C6 | C1 | H4 | 119.3° | 120.0° |
| O6 | C6 | C1 | C2 | 122.1° | 180.0° |
| O6 | C6 | C1 | O1 | 119.3° | 60.0° |
| O6 | C6 | C1 | H3 | 0.8° | 60.0° |
| O6 | C6 | C5 | H12 | 56.5° | 59.9° |
| C12 | C10 | O16 | C8 | 137.7° | 180.0° |
| C10 | C12 | H20 | H21 | 118.2° | 120.0° |
| C10 | C12 | C13 | H22 | 171.2° | 60.0° |
| C10 | C12 | C13 | H23 | 51.9° | 60.0° |
| O53 | P5 | O5 | O51 | 120.0° | 120.0° |
| O53 | P5 | O5 | C5 | 15.0° | 65.0° |
| O53 | P5 | O51 | H13 | 127.3° | 60.0° |
| C10 | O16 | C8 | C7 | 74.2° | 90.0° |
| C10 | O16 | C8 | C9 | 161.5° | 150.0° |
| C10 | O16 | C8 | H17 | 43.7° | 30.0° |
| O16 | C10 | C12 | H20 | 55.7° | 60.0° |
| O16 | C10 | C12 | H21 | 63.1° | 60.0° |
| P5 | O5 | C5 | C6 | 166.4° | 120.0° |
| P5 | O5 | C5 | C4 | 73.5° | 120.0° |
| P5 | O5 | C5 | H12 | 46.5° | 0.0° |
| O5 | P5 | O51 | H13 | 116.3° | 180.0° |
| O5 | P5 | O53 | H14 | 116.5° | 60.0° |
| O51 | P5 | O5 | C5 | 105.1° | 175.0° |
| O51 | P5 | O53 | H14 | 127.2° | 60.0° |
| O5 | C5 | C6 | C4 | 118.3° | 120.0° |
| O5 | C5 | C6 | H12 | 120.5° | 119.9° |
| O5 | C5 | C4 | H12 | 120.5° | 120.0° |
| O5 | C5 | C6 | C1 | 173.7° | 180.0° |
| O5 | C5 | C4 | O4 | 67.6° | 60.0° |
| O5 | C5 | C4 | C3 | 173.8° | 180.0° |
| O5 | C5 | C6 | H4 | 55.2° | 60.1° |
| O5 | C5 | C4 | H9 | 52.6° | 60.0° |
| C6 | C5 | C4 | H12 | 121.2° | 120.0° |
| C5 | C6 | C1 | H4 | 118.5° | 120.0° |
| C5 | C6 | C1 | C2 | 0.2° | 59.9° |
| C5 | C6 | C1 | O1 | 118.5° | 180.0° |
| C6 | C5 | C4 | O4 | 174.1° | 180.0° |
| C6 | C5 | C4 | C3 | 55.5° | 60.0° |
| C5 | C6 | O6 | H2 | 180.0° | 180.0° |
| C5 | C6 | C1 | H3 | 121.4° | 60.0° |
| C6 | C5 | C4 | H9 | 65.7° | 60.0° |
| C4 | C5 | C6 | C1 | 55.4° | 60.0° |
| C5 | C4 | C3 | C2 | 0.1° | 60.0° |
| C5 | C4 | O4 | C3 | 120.6° | 120.0° |
| C5 | C4 | O4 | H9 | 119.7° | 120.0° |
| C5 | C4 | O4 | P4 | 149.1° | 120.0° |
| C5 | C4 | C3 | H9 | 121.3° | 120.0° |
| C5 | C4 | C3 | O3 | 121.8° | 180.0° |
| C4 | C5 | C6 | H4 | 63.1° | 59.9° |
| C5 | C4 | C3 | H7 | 118.7° | 60.1° |
| C6 | C1 | C2 | O1 | 118.5° | 120.0° |
| C6 | C1 | C2 | H3 | 121.2° | 120.0° |
| C6 | C1 | O1 | H3 | 119.6° | 120.0° |
| C6 | C1 | C2 | O2 | 177.0° | 60.0° |
| C6 | C1 | C2 | C3 | 55.5° | 60.0° |
| C6 | C1 | O1 | P1 | 173.5° | 120.0° |
| C1 | C6 | O6 | H2 | 56.9° | 60.0° |
| C6 | C1 | C2 | H5 | 63.1° | 180.0° |
| C1 | C6 | C5 | H12 | 65.8° | 60.0° |
| C2 | C1 | O1 | H3 | 119.8° | 119.9° |
| C1 | C2 | O2 | C3 | 122.2° | 120.0° |
| C1 | C2 | O2 | H5 | 119.1° | 120.0° |
| C1 | C2 | C3 | H5 | 118.6° | 120.0° |
| C1 | C2 | C3 | C4 | 55.4° | 60.0° |
| C1 | C2 | C3 | O3 | 66.5° | 180.0° |
| C2 | C1 | O1 | P1 | 65.9° | 120.0° |
| C2 | C1 | C6 | H4 | 118.6° | 60.0° |
| C1 | C2 | O2 | H6 | 180.0° | 180.0° |
| C1 | C2 | C3 | H7 | 174.2° | 60.1° |
| O1 | C1 | C2 | O2 | 58.5° | 60.0° |
| O1 | C1 | C2 | C3 | 63.0° | 180.0° |
| C1 | O1 | P1 | O13 | 25.5° | 175.0° |
| C1 | O1 | P1 | O11 | 140.3° | 55.1° |
| C1 | O1 | P1 | O12 | 89.2° | 65.0° |
| O1 | C1 | C6 | H4 | 0.0° | 60.0° |
| O1 | C1 | C2 | H5 | 178.4° | 60.0° |
| O16 | C8 | C7 | O13 | 170.3° | 65.0° |
| O16 | C8 | C7 | C9 | 121.6° | 120.0° |
| O16 | C8 | C7 | H17 | 118.3° | 120.0° |
| O16 | C8 | C9 | H17 | 118.3° | 120.0° |
| O16 | C8 | C9 | O18 | 155.3° | 65.0° |
| O16 | C8 | C7 | H15 | 69.7° | 55.0° |
| O16 | C8 | C7 | H16 | 50.2° | 175.0° |
| O16 | C8 | C9 | H18 | 84.8° | 55.0° |
| O16 | C8 | C9 | H19 | 35.5° | 175.0° |
| O13 | C7 | C8 | H15 | 120.0° | 120.0° |
| O13 | C7 | C8 | H16 | 120.0° | 120.0° |
| O13 | C7 | C8 | C9 | 68.2° | 55.0° |
| C7 | O13 | P1 | O1 | 123.3° | 175.0° |
| C7 | O13 | P1 | O11 | 8.1° | 55.0° |
| C7 | O13 | P1 | O12 | 121.6° | 65.0° |
| O13 | C7 | H15 | H16 | 120.0° | 120.0° |
| O13 | C7 | C8 | H17 | 52.0° | 175.0° |
| C8 | C7 | O13 | P1 | 93.6° | 180.0° |
| C7 | C8 | C9 | H17 | 120.1° | 120.0° |
| C7 | C8 | C9 | O18 | 83.0° | 55.0° |
| C8 | C7 | H15 | H16 | 119.9° | 119.9° |
| C7 | C8 | C9 | H18 | 36.8° | 175.0° |
| C7 | C8 | C9 | H19 | 157.1° | 65.0° |
| O2 | C2 | C3 | H5 | 119.5° | 120.1° |
| O2 | C2 | C3 | C4 | 177.3° | 60.0° |
| O2 | C2 | C3 | O3 | 55.3° | 60.0° |
| O2 | C2 | C1 | H3 | 61.8° | 180.0° |
| O2 | C2 | C3 | H7 | 64.0° | 179.9° |
| C2 | C3 | C4 | O4 | 118.7° | 180.0° |
| C2 | C3 | C4 | O3 | 121.7° | 119.9° |
| C2 | C3 | C4 | H7 | 118.8° | 120.1° |
| C2 | C3 | O3 | H7 | 118.5° | 120.0° |
| C3 | C2 | C1 | H3 | 176.8° | 60.0° |
| C3 | C2 | O2 | H6 | 57.8° | 60.0° |
| C2 | C3 | O3 | H8 | 180.0° | 60.1° |
| C2 | C3 | C4 | H9 | 121.1° | 60.0° |
| O13 | P1 | O1 | O11 | 114.8° | 120.0° |
| O13 | P1 | O1 | O12 | 114.8° | 120.0° |
| O13 | P1 | O11 | O12 | 124.3° | 120.0° |
| O13 | P1 | O12 | H1 | 124.3° | 60.0° |
| P1 | O13 | C7 | H15 | 26.4° | 60.0° |
| P1 | O13 | C7 | H16 | 146.4° | 60.0° |
| C8 | C9 | O18 | H18 | 119.9° | 120.0° |
| C8 | C9 | O18 | H19 | 119.9° | 120.0° |
| C8 | C9 | O18 | C11 | 117.0° | 180.0° |
| C9 | C8 | C7 | H15 | 51.8° | 175.0° |
| C9 | C8 | C7 | H16 | 171.8° | 65.0° |
| C8 | C9 | H18 | H19 | 120.4° | 120.0° |
| O4 | C4 | C3 | H9 | 120.2° | 120.0° |
| O4 | C4 | C3 | O3 | 119.6° | 60.0° |
| C4 | O4 | P4 | O42 | 129.5° | 55.0° |
| C4 | O4 | P4 | O41 | 110.5° | 175.0° |
| C4 | O4 | P4 | O43 | 9.5° | 65.0° |
| O4 | C4 | C3 | H7 | 0.1° | 59.9° |
| O4 | C4 | C5 | H12 | 52.9° | 60.0° |
| P4 | O4 | C4 | C3 | 90.2° | 120.0° |
| O4 | P4 | O42 | O41 | 116.3° | 120.0° |
| O4 | P4 | O42 | O43 | 116.3° | 120.0° |
| O4 | P4 | O41 | O43 | 116.3° | 120.1° |
| P4 | O4 | C4 | H9 | 29.5° | 0.0° |
| O4 | P4 | O41 | H10 | 116.3° | 180.0° |
| O4 | P4 | O43 | H11 | 116.3° | 60.0° |
| C4 | C3 | O3 | H7 | 118.7° | 120.0° |
| C4 | C3 | C2 | H5 | 63.2° | 180.0° |
| C4 | C3 | O3 | H8 | 57.3° | 180.0° |
| C3 | C4 | C5 | H12 | 65.7° | 60.0° |
| O3 | C3 | C2 | H5 | 174.8° | 60.1° |
| O3 | C3 | C4 | H9 | 0.6° | 60.0° |
| O1 | P1 | O11 | O12 | 125.4° | 120.0° |
| O1 | P1 | O12 | H1 | 125.5° | 60.0° |
| P1 | O1 | C1 | H3 | 53.9° | 0.1° |
| O42 | P4 | O41 | O43 | 127.4° | 120.0° |
| O42 | P4 | O41 | H10 | 0.0° | 60.0° |
| O42 | P4 | O43 | H11 | 0.0° | 180.0° |
| O11 | P1 | O12 | H1 | 0.0° | 180.0° |
| O41 | P4 | O43 | H11 | 127.3° | 60.1° |
| O43 | P4 | O41 | H10 | 127.4° | 60.0° |
| C9 | O18 | C11 | C31 | 121.0° | 179.9° |
| C9 | O18 | C11 | O19 | 59.0° | 0.1° |
| O18 | C9 | C8 | H17 | 37.1° | 175.0° |
| O18 | C9 | H18 | H19 | 120.4° | 120.0° |
| C11 | C31 | C32 | H45 | 120.6° | 119.9° |
| C11 | C31 | C32 | H46 | 120.6° | 120.1° |
| C31 | C11 | O18 | O19 | 180.0° | 179.9° |
| C11 | C31 | C32 | C33 | 26.2° | 179.9° |
| C11 | C31 | H45 | H46 | 118.2° | 120.1° |
| C11 | C31 | C32 | H47 | 146.6° | 60.0° |
| C11 | C31 | C32 | H48 | 94.3° | 60.0° |
| C32 | C31 | C11 | O18 | 112.2° | 180.0° |
| C32 | C31 | C11 | O19 | 67.8° | 0.1° |
| C31 | C32 | C33 | H47 | 120.5° | 120.0° |
| C31 | C32 | C33 | H48 | 120.5° | 120.0° |
| C31 | C32 | C33 | C34 | 72.9° | 180.0° |
| C32 | C31 | H45 | H46 | 118.2° | 120.0° |
| C31 | C32 | H47 | H48 | 118.6° | 120.0° |
| C31 | C32 | C33 | H49 | 166.4° | 60.0° |
| C31 | C32 | C33 | H50 | 47.9° | 60.0° |
| C11 | O18 | C9 | H18 | 123.2° | 60.0° |
| C11 | O18 | C9 | H19 | 2.9° | 60.0° |
| O18 | C11 | C31 | H45 | 127.2° | 60.1° |
| O18 | C11 | C31 | H46 | 8.3° | 59.9° |
| O19 | C11 | C31 | H45 | 52.8° | 120.0° |
| O19 | C11 | C31 | H46 | 171.7° | 120.0° |
| C32 | C33 | C34 | H49 | 120.7° | 120.0° |
| C32 | C33 | C34 | H50 | 120.7° | 120.0° |
| C32 | C33 | C34 | C35 | 178.8° | 180.0° |
| C33 | C32 | C31 | H45 | 94.4° | 60.0° |
| C33 | C32 | C31 | H46 | 146.7° | 60.0° |
| C33 | C32 | H47 | H48 | 118.6° | 120.0° |
| C32 | C33 | H49 | H50 | 117.8° | 120.0° |
| C32 | C33 | C34 | H51 | 58.0° | 60.0° |
| C32 | C33 | C34 | H52 | 60.5° | 60.1° |
| C33 | C34 | C35 | H51 | 120.7° | 119.9° |
| C33 | C34 | C35 | H52 | 120.7° | 120.0° |
| C33 | C34 | C35 | C36 | 84.7° | 180.0° |
| C34 | C33 | C32 | H47 | 47.6° | 60.0° |
| C34 | C33 | C32 | H48 | 166.7° | 60.0° |
| C34 | C33 | H49 | H50 | 117.8° | 120.0° |
| C33 | C34 | H51 | H52 | 117.8° | 120.0° |
| C33 | C34 | C35 | H53 | 36.1° | 60.0° |
| C33 | C34 | C35 | H54 | 154.6° | 60.0° |
| C34 | C35 | C36 | H53 | 120.7° | 120.0° |
| C34 | C35 | C36 | H54 | 120.7° | 120.0° |
| C34 | C35 | C36 | C37 | 100.4° | 180.0° |
| C35 | C34 | C33 | H49 | 60.5° | 60.0° |
| C35 | C34 | C33 | H50 | 58.0° | 60.0° |
| C35 | C34 | H51 | H52 | 117.8° | 120.1° |
| C34 | C35 | H53 | H54 | 117.8° | 120.0° |
| C34 | C35 | C36 | H55 | 20.3° | 60.0° |
| C34 | C35 | C36 | H56 | 138.9° | 60.0° |
| C35 | C36 | C37 | H55 | 120.7° | 120.0° |
| C35 | C36 | C37 | H56 | 120.7° | 120.0° |
| C35 | C36 | C37 | C38 | 74.3° | 180.0° |
| C36 | C35 | C34 | H51 | 154.6° | 60.1° |
| C36 | C35 | C34 | H52 | 36.1° | 60.0° |
| C36 | C35 | H53 | H54 | 117.8° | 120.0° |
| C35 | C36 | H55 | H56 | 117.9° | 120.0° |
| C35 | C36 | C37 | H57 | 46.4° | 60.0° |
| C35 | C36 | C37 | H58 | 165.0° | 60.0° |
| C36 | C37 | C38 | H57 | 120.7° | 120.0° |
| C36 | C37 | C38 | H58 | 120.7° | 120.0° |
| C36 | C37 | C38 | C39 | 121.2° | 180.0° |
| C37 | C36 | C35 | H53 | 138.9° | 60.0° |
| C37 | C36 | C35 | H54 | 20.3° | 60.0° |
| C37 | C36 | H55 | H56 | 117.8° | 120.0° |
| C36 | C37 | H57 | H58 | 117.8° | 120.0° |
| C36 | C37 | C38 | H59 | 118.1° | 60.0° |
| C36 | C37 | C38 | H60 | 0.4° | 60.0° |
| C37 | C38 | C39 | C40 | 117.3° | 180.0° |
| C37 | C38 | C39 | H59 | 120.7° | 120.0° |
| C37 | C38 | C39 | H60 | 120.7° | 119.9° |
| C38 | C37 | C36 | H55 | 165.0° | 60.0° |
| C38 | C37 | C36 | H56 | 46.4° | 60.1° |
| C38 | C37 | H57 | H58 | 117.8° | 120.0° |
| C37 | C38 | H59 | H60 | 117.8° | 120.0° |
| C37 | C38 | C39 | H61 | 122.0° | 60.0° |
| C37 | C38 | C39 | H62 | 3.4° | 60.1° |
| C40 | C39 | C38 | H61 | 120.7° | 120.0° |
| C40 | C39 | C38 | H62 | 120.7° | 119.9° |
| C40 | C39 | C38 | H59 | 121.9° | 59.9° |
| C40 | C39 | C38 | H60 | 3.4° | 60.1° |
| C40 | C39 | H61 | H62 | 117.8° | 119.9° |
| C39 | C40 | H63 | H64 | 113.9° | 119.8° |
| C39 | C40 | H63 | C41 | 132.2° | 120.1° |
| C39 | C40 | H64 | C41 | 132.2° | 120.0° |
| C39 | C40 | C41 | C42 | 90.0° | 180.0° |
| C39 | C40 | C41 | H71 | 90.0° | 60.0° |
| C39 | C40 | C41 | H72 | 90.0° | 60.1° |
| C39 | C38 | C37 | H57 | 0.5° | 60.0° |
| C39 | C38 | C37 | H58 | 118.1° | 60.1° |
| C39 | C38 | H59 | H60 | 117.8° | 120.0° |
| C38 | C39 | H61 | H62 | 117.9° | 120.0° |
| C38 | C39 | C40 | H63 | 175.3° | 59.9° |
| C38 | C39 | C40 | H64 | 68.5° | 60.0° |
| C38 | C39 | C40 | C41 | 53.4° | 180.0° |
| H2 | O6 | C6 | H4 | 61.6° | 59.9° |
| H3 | C1 | C6 | H4 | 120.1° | 180.0° |
| H3 | C1 | C2 | H5 | 58.1° | 60.0° |
| H4 | C6 | C5 | H12 | 175.7° | NaN° |
| H5 | C2 | O2 | H6 | 60.9° | 60.1° |
| H5 | C2 | C3 | H7 | 55.6° | 59.9° |
| H7 | C3 | O3 | H8 | 61.5° | 59.9° |
| H7 | C3 | C4 | H9 | 120.1° | 179.9° |
| H9 | C4 | C5 | H12 | 173.1° | 180.0° |
| H15 | C7 | C8 | H17 | 172.0° | 65.0° |
| H16 | C7 | C8 | H17 | 68.1° | 54.9° |
| H17 | C8 | C9 | H18 | 156.9° | 65.0° |
| H17 | C8 | C9 | H19 | 82.8° | 55.0° |
| H20 | C12 | C13 | H22 | 68.2° | 179.9° |
| H20 | C12 | C13 | H23 | 172.5° | 60.0° |
| H21 | C12 | C13 | H22 | 50.6° | 60.0° |
| H21 | C12 | C13 | H23 | 68.7° | 180.0° |
| H22 | C13 | C14 | H24 | 121.6° | 180.0° |
| H22 | C13 | C14 | H25 | 119.6° | 60.0° |
| H23 | C13 | C14 | H24 | 2.3° | 60.0° |
| H23 | C13 | C14 | H25 | 121.2° | 180.0° |
| H24 | C14 | C15 | H26 | 111.1° | 172.3° |
| H25 | C14 | C15 | H26 | 7.8° | 67.6° |
| H26 | C15 | C16 | H28 | 66.4° | 7.5° |
| H28 | C16 | C17 | H30 | 51.7° | 66.4° |
| H28 | C16 | C17 | H31 | 170.3° | 173.6° |
| H30 | C17 | C18 | H32 | 96.8° | 172.4° |
| H31 | C17 | C18 | H32 | 21.7° | 67.7° |
| H32 | C18 | C19 | H33 | 3.5° | 7.5° |
| H33 | C19 | C20 | H34 | 148.2° | 66.3° |
| H33 | C19 | C20 | H35 | 29.6° | 173.6° |
| H34 | C20 | C21 | H36 | 33.5° | 175.0° |
| H35 | C20 | C21 | H36 | 85.0° | 65.0° |
| H36 | C21 | C22 | H38 | 96.8° | 180.0° |
| H38 | C22 | C23 | H40 | 29.1° | 65.0° |
| H38 | C22 | C23 | H41 | 89.5° | 175.0° |
| H40 | C23 | C24 | H42 | 23.7° | 175.0° |
| H40 | C23 | C24 | C25 | 156.4° | 5.0° |
| H41 | C23 | C24 | H42 | 142.2° | 65.0° |
| H41 | C23 | C24 | C25 | 37.9° | 115.0° |
| H42 | C24 | C25 | C26 | 90.0° | 0.0° |
| H42 | C24 | C25 | H27 | 90.0° | 180.0° |
| H45 | C31 | C32 | H47 | 26.0° | 179.9° |
| H45 | C31 | C32 | H48 | 145.2° | 59.9° |
| H46 | C31 | C32 | H47 | 92.8° | 60.0° |
| H46 | C31 | C32 | H48 | 26.3° | 180.0° |
| H47 | C32 | C33 | H49 | 73.1° | 180.0° |
| H47 | C32 | C33 | H50 | 168.3° | 60.0° |
| H48 | C32 | C33 | H49 | 46.0° | 60.0° |
| H48 | C32 | C33 | H50 | 72.6° | 179.9° |
| H49 | C33 | C34 | H51 | 178.7° | 180.0° |
| H49 | C33 | C34 | H52 | 60.2° | 60.0° |
| H50 | C33 | C34 | H51 | 62.7° | 60.0° |
| H50 | C33 | C34 | H52 | 178.7° | 180.0° |
| H51 | C34 | C35 | H53 | 84.7° | 180.0° |
| H51 | C34 | C35 | H54 | 33.9° | 60.0° |
| H52 | C34 | C35 | H53 | 156.8° | 59.9° |
| H52 | C34 | C35 | H54 | 84.6° | 179.9° |
| H53 | C35 | C36 | H55 | 100.5° | 180.0° |
| H53 | C35 | C36 | H56 | 18.2° | 60.0° |
| H54 | C35 | C36 | H55 | 141.0° | 60.0° |
| H54 | C35 | C36 | H56 | 100.4° | 180.0° |
| H55 | C36 | C37 | H57 | 74.3° | 179.9° |
| H55 | C36 | C37 | H58 | 44.3° | 60.0° |
| H56 | C36 | C37 | H57 | 167.1° | 60.0° |
| H56 | C36 | C37 | H58 | 74.3° | 180.0° |
| H57 | C37 | C38 | H59 | 121.2° | 180.0° |
| H57 | C37 | C38 | H60 | 120.2° | 60.0° |
| H58 | C37 | C38 | H59 | 2.6° | 60.0° |
| H58 | C37 | C38 | H60 | 121.2° | 180.0° |
| H59 | C38 | C39 | H61 | 1.3° | 180.0° |
| H59 | C38 | C39 | H62 | 117.3° | 60.0° |
| H60 | C38 | C39 | H61 | 117.3° | 59.9° |
| H60 | C38 | C39 | H62 | 124.1° | 180.0° |
| H61 | C39 | C40 | H63 | 64.1° | 179.9° |
| H61 | C39 | C40 | H64 | 52.2° | 60.1° |
| H61 | C39 | C40 | C41 | 174.1° | 59.9° |
| H62 | C39 | C40 | H63 | 54.5° | 60.1° |
| H62 | C39 | C40 | H64 | 170.8° | 180.0° |
| H62 | C39 | C40 | C41 | 67.3° | 60.0° |
| H63 | C40 | H64 | C41 | 113.9° | 120.1° |
| H63 | C40 | C41 | C42 | 90.0° | 60.0° |
| H63 | C40 | C41 | H71 | 90.0° | 180.0° |
| H63 | C40 | C41 | H72 | 90.0° | 60.0° |
| H64 | C40 | C41 | C42 | 90.0° | 60.0° |
| H64 | C40 | C41 | H71 | 90.0° | 59.9° |
| H64 | C40 | C41 | H72 | 90.0° | 180.0° |
| C24 | C25 | C26 | H27 | 90.0° | 179.9° |
| C24 | C25 | C26 | C27 | 90.0° | 125.0° |
| C24 | C25 | C26 | H29 | 90.0° | 115.1° |
| C24 | C25 | C26 | H37 | 90.0° | 5.0° |
| C25 | C26 | C27 | H29 | 90.0° | 119.9° |
| C25 | C26 | C27 | H37 | 90.0° | 119.9° |
| C25 | C26 | C27 | C28 | 90.0° | 180.0° |
| C25 | C26 | H29 | H37 | 90.0° | 120.0° |
| C25 | C26 | C27 | H39 | 90.0° | 60.0° |
| C25 | C26 | C27 | H43 | 90.0° | 60.0° |
| C26 | C27 | C28 | H39 | 90.0° | 120.1° |
| C26 | C27 | C28 | H43 | 90.0° | 120.0° |
| C26 | C27 | C28 | C29 | 90.0° | 180.0° |
| C27 | C26 | C25 | H27 | 90.0° | 55.0° |
| C27 | C26 | H29 | H37 | 90.0° | 120.1° |
| C26 | C27 | H39 | H43 | 90.0° | 120.1° |
| C26 | C27 | C28 | H44 | 90.0° | 60.0° |
| C26 | C27 | C28 | H65 | 90.0° | 60.0° |
| C27 | C28 | C29 | H44 | 90.0° | 120.1° |
| C27 | C28 | C29 | H65 | 90.0° | 120.0° |
| C27 | C28 | C29 | C30 | 90.0° | 180.0° |
| C28 | C27 | C26 | H29 | 90.0° | 60.0° |
| C28 | C27 | C26 | H37 | 90.0° | 60.1° |
| C28 | C27 | H39 | H43 | 90.0° | 119.9° |
| C27 | C28 | H44 | H65 | 90.0° | 120.0° |
| C27 | C28 | C29 | H66 | 90.0° | 59.9° |
| C27 | C28 | C29 | H67 | 90.0° | 60.0° |
| C28 | C29 | C30 | H66 | 90.0° | 120.0° |
| C28 | C29 | C30 | H67 | 90.0° | 120.0° |
| C29 | C28 | C27 | H39 | 90.0° | 59.9° |
| C29 | C28 | C27 | H43 | 90.0° | 60.0° |
| C29 | C28 | H44 | H65 | 90.0° | 119.9° |
| C28 | C29 | H66 | H67 | 90.0° | 119.9° |
| C28 | C29 | C30 | H68 | 90.0° | 60.0° |
| C28 | C29 | C30 | H69 | 90.0° | 60.0° |
| C28 | C29 | C30 | H70 | 90.0° | 180.0° |
| C30 | C29 | C28 | H44 | 90.0° | 60.0° |
| C30 | C29 | C28 | H65 | 90.0° | 60.0° |
| C30 | C29 | H66 | H67 | 90.0° | 120.0° |
| C29 | C30 | H68 | H69 | 90.0° | 120.0° |
| C29 | C30 | H68 | H70 | 90.0° | 120.0° |
| C29 | C30 | H69 | H70 | 90.0° | 120.0° |
| C40 | C41 | C42 | H71 | 90.0° | 120.0° |
| C40 | C41 | C42 | H72 | 90.0° | 120.0° |
| C40 | C41 | C42 | C43 | 90.0° | 180.0° |
| C40 | C41 | H71 | H72 | 90.0° | 120.1° |
| C40 | C41 | C42 | H73 | 90.0° | 60.0° |
| C40 | C41 | C42 | H74 | 90.0° | 60.0° |
| C41 | C42 | C43 | H73 | 90.0° | 120.0° |
| C41 | C42 | C43 | H74 | 90.0° | 120.0° |
| C41 | C42 | C43 | C44 | 90.0° | 180.0° |
| C42 | C41 | H71 | H72 | 90.0° | 120.0° |
| C41 | C42 | H73 | H74 | 90.0° | 120.0° |
| C41 | C42 | C43 | H75 | 90.0° | 60.0° |
| C41 | C42 | C43 | H76 | 90.0° | 60.0° |
| C42 | C43 | C44 | H75 | 90.0° | 120.0° |
| C42 | C43 | C44 | H76 | 90.0° | 119.9° |
| C42 | C43 | C44 | C45 | 90.0° | 180.0° |
| C43 | C42 | C41 | H71 | 90.0° | 60.0° |
| C43 | C42 | C41 | H72 | 90.0° | 60.0° |
| C43 | C42 | H73 | H74 | 90.0° | 120.0° |
| C42 | C43 | H75 | H76 | 90.0° | 120.0° |
| C42 | C43 | C44 | H77 | 90.0° | 60.0° |
| C42 | C43 | C44 | H78 | 90.0° | 60.0° |
| C43 | C44 | C45 | H77 | 90.0° | 120.1° |
| C43 | C44 | C45 | H78 | 90.0° | 120.0° |
| C43 | C44 | C45 | C46 | 90.0° | 180.0° |
| C44 | C43 | C42 | H73 | 90.0° | 60.0° |
| C44 | C43 | C42 | H74 | 90.0° | 60.0° |
| C44 | C43 | H75 | H76 | 90.0° | 120.0° |
| C43 | C44 | H77 | H78 | 90.0° | 120.0° |
| C43 | C44 | C45 | H79 | 90.0° | 60.0° |
| C43 | C44 | C45 | H80 | 90.0° | 60.1° |
| C44 | C45 | C46 | H79 | 90.0° | 120.0° |
| C44 | C45 | C46 | H80 | 90.0° | 120.0° |
| C44 | C45 | C46 | C47 | 90.0° | 180.0° |
| C45 | C44 | C43 | H75 | 90.0° | 60.0° |
| C45 | C44 | C43 | H76 | 90.0° | 60.1° |
| C45 | C44 | H77 | H78 | 90.0° | 119.9° |
| C44 | C45 | H79 | H80 | 90.0° | 120.0° |
| C44 | C45 | C46 | H81 | 90.0° | 60.0° |
| C44 | C45 | C46 | H82 | 90.0° | 60.0° |
| C45 | C46 | C47 | H81 | 90.0° | 119.9° |
| C45 | C46 | C47 | H82 | 90.0° | 120.0° |
| C46 | C45 | C44 | H77 | 90.0° | 60.0° |
| C46 | C45 | C44 | H78 | 90.0° | 60.0° |
| C46 | C45 | H79 | H80 | 90.0° | 120.0° |
| C45 | C46 | H81 | H82 | 90.0° | 120.0° |
| C45 | C46 | C47 | H83 | 90.0° | 60.1° |
| C45 | C46 | C47 | H84 | 90.0° | 60.0° |
| C45 | C46 | C47 | H85 | 90.0° | 180.0° |
| C47 | C46 | C45 | H79 | 90.0° | 60.0° |
| C47 | C46 | C45 | H80 | 90.0° | 60.0° |
| C47 | C46 | H81 | H82 | 90.0° | 120.0° |
| C46 | C47 | H83 | H84 | 90.0° | 120.0° |
| C46 | C47 | H83 | H85 | 90.0° | 120.0° |
| C46 | C47 | H84 | H85 | 90.0° | 120.0° |
| H27 | C25 | C26 | H29 | 90.0° | 65.0° |
| H27 | C25 | C26 | H37 | 90.0° | 174.9° |
| H29 | C26 | C27 | H39 | 90.0° | 179.9° |
| H29 | C26 | C27 | H43 | 90.0° | 59.9° |
| H37 | C26 | C27 | H39 | 90.0° | 59.9° |
| H37 | C26 | C27 | H43 | 90.0° | 180.0° |
| H39 | C27 | C28 | H44 | 90.0° | 180.0° |
| H39 | C27 | C28 | H65 | 90.0° | 60.0° |
| H43 | C27 | C28 | H44 | 90.0° | 60.0° |
| H43 | C27 | C28 | H65 | 90.0° | 180.0° |
| H44 | C28 | C29 | H66 | 90.0° | 180.0° |
| H44 | C28 | C29 | H67 | 90.0° | 60.1° |
| H65 | C28 | C29 | H66 | 90.0° | 60.0° |
| H65 | C28 | C29 | H67 | 90.0° | 180.0° |
| H66 | C29 | C30 | H68 | 90.0° | 180.0° |
| H66 | C29 | C30 | H69 | 90.0° | 60.0° |
| H66 | C29 | C30 | H70 | 90.0° | 60.0° |
| H67 | C29 | C30 | H68 | 90.0° | 60.0° |
| H67 | C29 | C30 | H69 | 90.0° | 180.0° |
| H67 | C29 | C30 | H70 | 90.0° | 60.0° |
| H68 | C30 | H69 | H70 | 90.0° | 120.0° |
| H71 | C41 | C42 | H73 | 90.0° | 180.0° |
| H71 | C41 | C42 | H74 | 90.0° | 60.0° |
| H72 | C41 | C42 | H73 | 90.0° | 60.0° |
| H72 | C41 | C42 | H74 | 90.0° | 180.0° |
| H73 | C42 | C43 | H75 | 90.0° | 180.0° |
| H73 | C42 | C43 | H76 | 90.0° | 59.9° |
| H74 | C42 | C43 | H75 | 90.0° | 60.0° |
| H74 | C42 | C43 | H76 | 90.0° | 179.9° |
| H75 | C43 | C44 | H77 | 90.0° | 180.0° |
| H75 | C43 | C44 | H78 | 90.0° | 60.0° |
| H76 | C43 | C44 | H77 | 90.0° | 59.9° |
| H76 | C43 | C44 | H78 | 90.0° | 180.0° |
| H77 | C44 | C45 | H79 | 90.0° | 179.9° |
| H77 | C44 | C45 | H80 | 90.0° | 60.0° |
| H78 | C44 | C45 | H79 | 90.0° | 60.0° |
| H78 | C44 | C45 | H80 | 90.0° | 179.9° |
| H79 | C45 | C46 | H81 | 90.0° | 179.9° |
| H79 | C45 | C46 | H82 | 90.0° | 60.0° |
| H80 | C45 | C46 | H81 | 90.0° | 59.9° |
| H80 | C45 | C46 | H82 | 90.0° | 180.0° |
| H81 | C46 | C47 | H83 | 90.0° | 180.0° |
| H81 | C46 | C47 | H84 | 90.0° | 60.0° |
| H81 | C46 | C47 | H85 | 90.0° | 60.1° |
| H82 | C46 | C47 | H83 | 90.0° | 60.0° |
| H82 | C46 | C47 | H84 | 90.0° | 180.0° |
| H82 | C46 | C47 | H85 | 90.0° | 60.0° |
| H83 | C47 | H84 | H85 | 90.0° | 119.9° |
