PEE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C5 | sing | 1.47Å | 1.47Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | O4P | sing | 1.43Å | 1.43Å | |
| O4P | P | sing | 1.61Å | 1.61Å | |
| O1P | P | doub | 1.48Å | 1.49Å | |
| C1 | O3P | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| O3P | P | sing | 1.61Å | 1.62Å | |
| P | O2P | sing | 1.61Å | 1.62Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | sing | 1.45Å | 1.43Å | |
| C3 | O3 | sing | 1.45Å | 1.43Å | |
| O2 | C10 | sing | 1.34Å | 1.36Å | |
| C31 | C30 | sing | 1.51Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C30 | O3 | sing | 1.34Å | 1.36Å | |
| C30 | O5 | doub | 1.21Å | 1.23Å | |
| C10 | O4 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C37 | C38 | sing | 1.51Å | 1.53Å | |
| C38 | C39 | doub | 1.31Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C39 | C40 | sing | 1.51Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | doub | 1.31Å | 1.53Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C46 | C45 | sing | 1.53Å | 1.53Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | H7 | sing | 1.09Å | 1.10Å | |
| C27 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H82 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H83 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H30 | sing | 1.09Å | 1.10Å | |
| C11 | H31 | sing | 1.09Å | 1.10Å | |
| C2 | H32 | sing | 1.09Å | 1.10Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| O2P | H35 | sing | 0.97Å | 0.95Å | |
| C4 | H36 | sing | 1.09Å | 1.10Å | |
| C4 | H37 | sing | 1.09Å | 1.10Å | |
| C5 | H38 | sing | 1.09Å | 1.10Å | |
| C5 | H39 | sing | 1.09Å | 1.10Å | |
| N | H40 | sing | 1.01Å | 1.00Å | |
| N | H41 | sing | 1.01Å | 1.00Å | |
| C3 | H43 | sing | 1.09Å | 1.10Å | |
| C3 | H44 | sing | 1.09Å | 1.10Å | |
| 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 | 1.08Å | 1.08Å | |
| C39 | H60 | sing | 1.08Å | 1.08Å | |
| C40 | H81 | sing | 1.09Å | 1.10Å | |
| C40 | H61 | sing | 1.09Å | 1.10Å | |
| C41 | H80 | sing | 1.09Å | 1.10Å | |
| C41 | H62 | sing | 1.09Å | 1.10Å | |
| C42 | H63 | sing | 1.09Å | 1.10Å | |
| C42 | H64 | sing | 1.09Å | 1.10Å | |
| C43 | H65 | sing | 1.09Å | 1.10Å | |
| C43 | H66 | sing | 1.09Å | 1.10Å | |
| C44 | H67 | sing | 1.09Å | 1.10Å | |
| C44 | H68 | sing | 1.09Å | 1.10Å | |
| C45 | H69 | sing | 1.09Å | 1.10Å | |
| C45 | H70 | sing | 1.09Å | 1.10Å | |
| C46 | H71 | sing | 1.09Å | 1.10Å | |
| C46 | H72 | sing | 1.09Å | 1.10Å | |
| C47 | H73 | sing | 1.09Å | 1.10Å | |
| C47 | H74 | sing | 1.09Å | 1.10Å | |
| C47 | H75 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C5 | C4 | 110.6° | 109.5° |
| N | C5 | H38 | 109.2° | 109.4° |
| N | C5 | H39 | 109.2° | 109.4° |
| C5 | N | H40 | 109.5° | 111.0° |
| C5 | N | H41 | 109.5° | 111.0° |
| C5 | C4 | O4P | 109.0° | 109.5° |
| C5 | C4 | H36 | 109.6° | 109.4° |
| C5 | C4 | H37 | 109.6° | 109.4° |
| C4 | C5 | H38 | 109.2° | 109.5° |
| C4 | C5 | H39 | 109.2° | 109.4° |
| C4 | O4P | P | 120.2° | 123.0° |
| O4P | C4 | H36 | 109.6° | 109.5° |
| O4P | C4 | H37 | 109.6° | 109.5° |
| O4P | P | O1P | 113.3° | 109.5° |
| O4P | P | O3P | 106.5° | 109.5° |
| O4P | P | O2P | 107.4° | 109.4° |
| O1P | P | O3P | 111.6° | 109.5° |
| O1P | P | O2P | 112.1° | 109.5° |
| O3P | C1 | C2 | 109.9° | 109.5° |
| C1 | O3P | P | 120.7° | 123.0° |
| O3P | C1 | H33 | 109.4° | 109.5° |
| O3P | C1 | H34 | 109.3° | 109.5° |
| C1 | C2 | C3 | 109.2° | 109.5° |
| C1 | C2 | O2 | 109.2° | 109.5° |
| C1 | C2 | H32 | 109.1° | 109.5° |
| C2 | C1 | H33 | 109.3° | 109.4° |
| C2 | C1 | H34 | 109.4° | 109.5° |
| O3P | P | O2P | 105.5° | 109.5° |
| P | O2P | H35 | 109.5° | 114.0° |
| C3 | C2 | O2 | 109.8° | 109.4° |
| C2 | C3 | O3 | 110.4° | 109.5° |
| C3 | C2 | H32 | 109.0° | 109.5° |
| C2 | C3 | H43 | 109.3° | 109.5° |
| C2 | C3 | H44 | 109.2° | 109.5° |
| C2 | O2 | C10 | 110.4° | 117.0° |
| O2 | C2 | H32 | 110.4° | 109.4° |
| C3 | O3 | C30 | 109.8° | 117.0° |
| O3 | C3 | H43 | 109.2° | 109.5° |
| O3 | C3 | H44 | 109.2° | 109.4° |
| O2 | C10 | O4 | 123.9° | 120.0° |
| O2 | C10 | C11 | 115.0° | 120.0° |
| C30 | C31 | C32 | 110.3° | 109.5° |
| C31 | C30 | O3 | 115.1° | 120.0° |
| C31 | C30 | O5 | 121.0° | 120.0° |
| C30 | C31 | H45 | 109.3° | 109.5° |
| C30 | C31 | H46 | 109.2° | 109.5° |
| C31 | C32 | C33 | 108.9° | 109.5° |
| C32 | C31 | H45 | 109.3° | 109.4° |
| C32 | C31 | H46 | 109.3° | 109.5° |
| C31 | C32 | H47 | 109.6° | 109.5° |
| C31 | C32 | H48 | 109.6° | 109.5° |
| C32 | C33 | C34 | 111.1° | 109.5° |
| C33 | C32 | H47 | 109.6° | 109.4° |
| C33 | C32 | H48 | 109.6° | 109.4° |
| C32 | C33 | H49 | 109.1° | 109.5° |
| C32 | C33 | H50 | 109.1° | 109.5° |
| C33 | C34 | C35 | 109.2° | 109.5° |
| C34 | C33 | H49 | 109.1° | 109.4° |
| C34 | C33 | H50 | 109.1° | 109.5° |
| C33 | C34 | H51 | 109.5° | 109.5° |
| C33 | C34 | H52 | 109.5° | 109.5° |
| O3 | C30 | O5 | 124.0° | 120.0° |
| O4 | C10 | C11 | 121.1° | 120.0° |
| C10 | C11 | C12 | 110.0° | 109.5° |
| C10 | C11 | H30 | 109.3° | 109.5° |
| C10 | C11 | H31 | 109.4° | 109.5° |
| C34 | C35 | C36 | 110.2° | 109.5° |
| C35 | C34 | H51 | 109.5° | 109.4° |
| C35 | C34 | H52 | 109.5° | 109.4° |
| C34 | C35 | H53 | 109.3° | 109.4° |
| C34 | C35 | H54 | 109.3° | 109.5° |
| C11 | C12 | C13 | 109.5° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.4° |
| C11 | C12 | H29 | 109.5° | 109.5° |
| C12 | C11 | H30 | 109.3° | 109.4° |
| C12 | C11 | H31 | 109.3° | 109.5° |
| C35 | C36 | C37 | 108.6° | 109.5° |
| C36 | C35 | H53 | 109.3° | 109.5° |
| C36 | C35 | H54 | 109.3° | 109.4° |
| C35 | C36 | H55 | 109.7° | 109.5° |
| C35 | C36 | H56 | 109.7° | 109.4° |
| C36 | C37 | C38 | 110.3° | 109.5° |
| C37 | C36 | H55 | 109.7° | 109.5° |
| C37 | C36 | H56 | 109.7° | 109.4° |
| C36 | C37 | H57 | 109.3° | 109.5° |
| C36 | C37 | H58 | 109.3° | 109.5° |
| C37 | C38 | C39 | 115.3° | 120.0° |
| C38 | C37 | H57 | 109.3° | 109.5° |
| C38 | C37 | H58 | 109.3° | 109.5° |
| C37 | C38 | H59 | 122.4° | 120.0° |
| C38 | C39 | C40 | 115.4° | 120.0° |
| C39 | C38 | H59 | 122.3° | 120.0° |
| C38 | C39 | H60 | 122.3° | 120.0° |
| C12 | C13 | C14 | 109.7° | 109.5° |
| C12 | C13 | H17 | 109.4° | 109.4° |
| C12 | C13 | H27 | 109.4° | 109.5° |
| C13 | C12 | H15 | 109.5° | 109.5° |
| C13 | C12 | H29 | 109.5° | 109.5° |
| C39 | C40 | C41 | 109.4° | 109.5° |
| C40 | C39 | H60 | 122.3° | 120.0° |
| C39 | C40 | H81 | 109.5° | 109.4° |
| C39 | C40 | H61 | 109.5° | 109.5° |
| C13 | C14 | C15 | 109.7° | 109.5° |
| C13 | C14 | H25 | 109.4° | 109.4° |
| C13 | C14 | H26 | 109.4° | 109.5° |
| C14 | C13 | H17 | 109.4° | 109.5° |
| C14 | C13 | H27 | 109.4° | 109.5° |
| C14 | C15 | C16 | 109.3° | 109.5° |
| C14 | C15 | H23 | 109.5° | 109.4° |
| C14 | C15 | H24 | 109.5° | 109.5° |
| C15 | C14 | H25 | 109.4° | 109.5° |
| C15 | C14 | H26 | 109.4° | 109.5° |
| C40 | C41 | C42 | 109.7° | 109.5° |
| C41 | C40 | H81 | 109.5° | 109.5° |
| C41 | C40 | H61 | 109.5° | 109.4° |
| C40 | C41 | H80 | 109.4° | 109.5° |
| C40 | C41 | H62 | 109.4° | 109.5° |
| C15 | C16 | C17 | 110.2° | 109.5° |
| C15 | C16 | H21 | 109.3° | 109.4° |
| C15 | C16 | H28 | 109.3° | 109.5° |
| C16 | C15 | H23 | 109.5° | 109.5° |
| C16 | C15 | H24 | 109.5° | 109.5° |
| C41 | C42 | C43 | 109.4° | 109.5° |
| C42 | C41 | H80 | 109.4° | 109.4° |
| C42 | C41 | H62 | 109.4° | 109.5° |
| C41 | C42 | H63 | 109.5° | 109.4° |
| C41 | C42 | H64 | 109.5° | 109.4° |
| C16 | C17 | C18 | 110.0° | 109.5° |
| C16 | C17 | H22 | 109.3° | 109.4° |
| C16 | C17 | H19 | 109.4° | 109.5° |
| C17 | C16 | H21 | 109.3° | 109.5° |
| C17 | C16 | H28 | 109.3° | 109.5° |
| C42 | C43 | C44 | 109.5° | 109.4° |
| C43 | C42 | H63 | 109.5° | 109.5° |
| C43 | C42 | H64 | 109.5° | 109.6° |
| C42 | C43 | H65 | 109.5° | 109.5° |
| C42 | C43 | H66 | 109.5° | 109.5° |
| C17 | C18 | C19 | 116.2° | 120.0° |
| C17 | C18 | H20 | 121.9° | 120.0° |
| C18 | C17 | H22 | 109.3° | 109.5° |
| C18 | C17 | H19 | 109.3° | 109.5° |
| C43 | C44 | C45 | 109.9° | 109.5° |
| C44 | C43 | H65 | 109.5° | 109.5° |
| C44 | C43 | H66 | 109.5° | 109.5° |
| C43 | C44 | H67 | 109.4° | 109.5° |
| C43 | C44 | H68 | 109.4° | 109.5° |
| C18 | C19 | C20 | 116.0° | 120.1° |
| C18 | C19 | H18 | 122.0° | 120.0° |
| C19 | C18 | H20 | 121.9° | 120.0° |
| C47 | C46 | C45 | 109.5° | 109.5° |
| C47 | C46 | H71 | 109.4° | 109.5° |
| C47 | C46 | H72 | 109.5° | 109.4° |
| C46 | C47 | H73 | 109.5° | 109.5° |
| C46 | C47 | H74 | 109.5° | 109.5° |
| C46 | C47 | H75 | 109.5° | 109.5° |
| C46 | C45 | C44 | 109.7° | 109.5° |
| C46 | C45 | H69 | 109.4° | 109.5° |
| C46 | C45 | H70 | 109.4° | 109.5° |
| C45 | C46 | H71 | 109.5° | 109.5° |
| C45 | C46 | H72 | 109.5° | 109.5° |
| C45 | C44 | H67 | 109.4° | 109.5° |
| C45 | C44 | H68 | 109.4° | 109.4° |
| C44 | C45 | H69 | 109.4° | 109.5° |
| C44 | C45 | H70 | 109.4° | 109.4° |
| C19 | C20 | C21 | 110.2° | 109.5° |
| C19 | C20 | H16 | 109.3° | 109.4° |
| C19 | C20 | H13 | 109.3° | 109.5° |
| C20 | C19 | H18 | 122.0° | 120.0° |
| C20 | C21 | C22 | 110.0° | 109.5° |
| C20 | C21 | H14 | 109.3° | 109.5° |
| C20 | C21 | H1 | 109.4° | 109.4° |
| C21 | C20 | H16 | 109.3° | 109.5° |
| C21 | C20 | H13 | 109.3° | 109.5° |
| C21 | C22 | C23 | 109.3° | 109.4° |
| C21 | C22 | H2 | 109.5° | 109.5° |
| C21 | C22 | H3 | 109.5° | 109.5° |
| C22 | C21 | H14 | 109.4° | 109.5° |
| C22 | C21 | H1 | 109.3° | 109.5° |
| C22 | C23 | C24 | 109.6° | 109.4° |
| C22 | C23 | H83 | 109.4° | 109.5° |
| C22 | C23 | H9 | 109.4° | 109.5° |
| C23 | C22 | H2 | 109.5° | 109.5° |
| C23 | C22 | H3 | 109.5° | 109.5° |
| C23 | C24 | C25 | 109.5° | 109.4° |
| C23 | C24 | H10 | 109.5° | 109.5° |
| C23 | C24 | H11 | 109.4° | 109.5° |
| C24 | C23 | H83 | 109.5° | 109.5° |
| C24 | C23 | H9 | 109.5° | 109.5° |
| C24 | C25 | C26 | 109.2° | 109.5° |
| C24 | C25 | H12 | 109.5° | 109.5° |
| C24 | C25 | H4 | 109.6° | 109.5° |
| C25 | C24 | H10 | 109.4° | 109.5° |
| C25 | C24 | H11 | 109.4° | 109.4° |
| C25 | C26 | C27 | 109.3° | 109.5° |
| C25 | C26 | H5 | 109.5° | 109.5° |
| C25 | C26 | H6 | 109.5° | 109.5° |
| C26 | C25 | H12 | 109.5° | 109.4° |
| C26 | C25 | H4 | 109.5° | 109.4° |
| C26 | C27 | H7 | 109.5° | 109.5° |
| C26 | C27 | H8 | 109.5° | 109.5° |
| C26 | C27 | H82 | 109.5° | 109.5° |
| C27 | C26 | H5 | 109.5° | 109.5° |
| C27 | C26 | H6 | 109.5° | 109.4° |
| H7 | C27 | H8 | 109.5° | 109.5° |
| H7 | C27 | H82 | 109.5° | 109.5° |
| H8 | C27 | H82 | 109.5° | 109.5° |
| H5 | C26 | H6 | 109.5° | 109.5° |
| H12 | C25 | H4 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.5° | 109.5° |
| H83 | C23 | H9 | 109.5° | 109.5° |
| H2 | C22 | H3 | 109.5° | 109.5° |
| H14 | C21 | H1 | 109.5° | 109.5° |
| H16 | C20 | H13 | 109.5° | 109.4° |
| H22 | C17 | H19 | 109.5° | 109.5° |
| H21 | C16 | H28 | 109.5° | 109.4° |
| H23 | C15 | H24 | 109.4° | 109.5° |
| H25 | C14 | H26 | 109.5° | 109.5° |
| H17 | C13 | H27 | 109.5° | 109.5° |
| H15 | C12 | H29 | 109.4° | 109.5° |
| H30 | C11 | H31 | 109.5° | 109.5° |
| H33 | C1 | H34 | 109.5° | 109.4° |
| H36 | C4 | H37 | 109.5° | 109.4° |
| H38 | C5 | H39 | 109.4° | 109.5° |
| H40 | N | H41 | 109.5° | 111.0° |
| H43 | C3 | H44 | 109.5° | 109.4° |
| H45 | C31 | H46 | 109.5° | 109.4° |
| H47 | C32 | H48 | 109.5° | 109.4° |
| H49 | C33 | H50 | 109.4° | 109.5° |
| H51 | C34 | H52 | 109.5° | 109.5° |
| H53 | C35 | H54 | 109.5° | 109.5° |
| H55 | C36 | H56 | 109.5° | 109.5° |
| H57 | C37 | H58 | 109.5° | 109.4° |
| H81 | C40 | H61 | 109.5° | 109.5° |
| H80 | C41 | H62 | 109.4° | 109.4° |
| H63 | C42 | H64 | 109.4° | 109.5° |
| H65 | C43 | H66 | 109.4° | 109.5° |
| H67 | C44 | H68 | 109.5° | 109.5° |
| H69 | C45 | H70 | 109.5° | 109.5° |
| H71 | C46 | H72 | 109.5° | 109.5° |
| H73 | C47 | H74 | 109.5° | 109.5° |
| H73 | C47 | H75 | 109.4° | 109.5° |
| H74 | C47 | H75 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C5 | C4 | H38 | 120.2° | 120.0° |
| N | C5 | C4 | H39 | 120.2° | 119.9° |
| N | C5 | C4 | O4P | 31.7° | 65.0° |
| N | C5 | C4 | H36 | 151.6° | 55.1° |
| N | C5 | C4 | H37 | 88.2° | 175.0° |
| N | C5 | H38 | H39 | 119.5° | 120.0° |
| C5 | N | H40 | H41 | 120.0° | 123.9° |
| C5 | C4 | O4P | H36 | 119.9° | 120.0° |
| C5 | C4 | O4P | H37 | 119.9° | 120.0° |
| C5 | C4 | O4P | P | 131.1° | 180.0° |
| C5 | C4 | H36 | H37 | 120.2° | 119.9° |
| C4 | C5 | H38 | H39 | 119.5° | 120.0° |
| C4 | C5 | N | H40 | 180.0° | 180.0° |
| C4 | C5 | N | H41 | 60.0° | 56.0° |
| C4 | O4P | P | O1P | 25.8° | 55.0° |
| C4 | O4P | P | O3P | 148.8° | 175.0° |
| C4 | O4P | P | O2P | 98.5° | 65.0° |
| O4P | C4 | H36 | H37 | 120.2° | 120.0° |
| O4P | C4 | C5 | H38 | 88.5° | 175.0° |
| O4P | C4 | C5 | H39 | 151.9° | 55.0° |
| O4P | P | O1P | O3P | 120.2° | 120.0° |
| O4P | P | O1P | O2P | 121.8° | 119.9° |
| O4P | P | O3P | C1 | 28.2° | 175.0° |
| O4P | P | O3P | O2P | 114.0° | 120.0° |
| O4P | P | O2P | H35 | 125.1° | 60.1° |
| P | O4P | C4 | H36 | 11.2° | 60.0° |
| P | O4P | C4 | H37 | 109.0° | 60.0° |
| O1P | P | O3P | C1 | 152.3° | 55.0° |
| O1P | P | O3P | O2P | 121.9° | 120.0° |
| O1P | P | O2P | H35 | 0.0° | 180.0° |
| O3P | C1 | C2 | H33 | 120.1° | 120.0° |
| O3P | C1 | C2 | H34 | 120.0° | 120.1° |
| C1 | O3P | P | O2P | 85.7° | 65.0° |
| O3P | C1 | C2 | C3 | 113.5° | 55.0° |
| O3P | C1 | C2 | O2 | 126.3° | 65.0° |
| O3P | C1 | C2 | H32 | 5.5° | 175.0° |
| O3P | C1 | H33 | H34 | 119.8° | 120.0° |
| C2 | C1 | O3P | P | 72.8° | 180.0° |
| C1 | C2 | C3 | O2 | 119.8° | 120.0° |
| C1 | C2 | C3 | H32 | 119.1° | 120.1° |
| C1 | C2 | O2 | H32 | 119.9° | 120.0° |
| C1 | C2 | C3 | O3 | 165.2° | 55.0° |
| C1 | C2 | O2 | C10 | 146.3° | 90.0° |
| C2 | C1 | H33 | H34 | 119.8° | 120.0° |
| C1 | C2 | C3 | H43 | 45.1° | 175.0° |
| C1 | C2 | C3 | H44 | 74.7° | 65.0° |
| P | O3P | C1 | H33 | 47.2° | 60.0° |
| P | O3P | C1 | H34 | 167.1° | 60.0° |
| O3P | P | O2P | H35 | 121.7° | 59.9° |
| C3 | C2 | O2 | H32 | 120.3° | 119.9° |
| C2 | C3 | O3 | H43 | 120.1° | 120.1° |
| C2 | C3 | O3 | H44 | 120.1° | 120.0° |
| C3 | C2 | O2 | C10 | 93.9° | 150.0° |
| C2 | C3 | O3 | C30 | 174.4° | 180.0° |
| C3 | C2 | C1 | H33 | 6.6° | 65.0° |
| C3 | C2 | C1 | H34 | 126.4° | 175.0° |
| C2 | C3 | H43 | H44 | 119.6° | 120.0° |
| O2 | C2 | C3 | O3 | 75.0° | 65.0° |
| C2 | O2 | C10 | O4 | 60.6° | 0.0° |
| C2 | O2 | C10 | C11 | 119.7° | 180.0° |
| O2 | C2 | C1 | H33 | 113.6° | 175.0° |
| O2 | C2 | C1 | H34 | 6.3° | 55.0° |
| O2 | C2 | C3 | H43 | 164.9° | 55.0° |
| O2 | C2 | C3 | H44 | 45.1° | 175.0° |
| C3 | O3 | C30 | C31 | 60.8° | 180.0° |
| C3 | O3 | C30 | O5 | 118.7° | 0.1° |
| O3 | C3 | C2 | H32 | 46.1° | 175.0° |
| O3 | C3 | H43 | H44 | 119.6° | 119.9° |
| O2 | C10 | O4 | C11 | 179.6° | 180.0° |
| O2 | C10 | C11 | C12 | 152.5° | 180.0° |
| O2 | C10 | C11 | H30 | 87.4° | 60.0° |
| O2 | C10 | C11 | H31 | 32.4° | 60.0° |
| C10 | O2 | C2 | H32 | 26.3° | 30.0° |
| C30 | C31 | C32 | H45 | 120.1° | 120.0° |
| C30 | C31 | C32 | H46 | 120.1° | 120.0° |
| C30 | C31 | C32 | C33 | 171.8° | 180.0° |
| C31 | C30 | O3 | O5 | 179.5° | 180.0° |
| C30 | C31 | H45 | H46 | 119.6° | 120.0° |
| C30 | C31 | C32 | H47 | 68.3° | 60.0° |
| C30 | C31 | C32 | H48 | 51.9° | 60.0° |
| C31 | C32 | C33 | H47 | 119.9° | 120.0° |
| C31 | C32 | C33 | H48 | 119.9° | 120.1° |
| C31 | C32 | C33 | C34 | 170.6° | 180.0° |
| C32 | C31 | C30 | O3 | 96.8° | 180.0° |
| C32 | C31 | C30 | O5 | 83.6° | 0.0° |
| C32 | C31 | H45 | H46 | 119.7° | 120.0° |
| C31 | C32 | H47 | H48 | 120.3° | 120.1° |
| C31 | C32 | C33 | H49 | 69.1° | 60.1° |
| C31 | C32 | C33 | H50 | 50.3° | 60.0° |
| C32 | C33 | C34 | H49 | 120.2° | 120.0° |
| C32 | C33 | C34 | H50 | 120.3° | 120.0° |
| C32 | C33 | C34 | C35 | 61.5° | 180.0° |
| C33 | C32 | C31 | H45 | 51.7° | 60.0° |
| C33 | C32 | C31 | H46 | 68.1° | 60.0° |
| C33 | C32 | H47 | H48 | 120.2° | 119.9° |
| C32 | C33 | H49 | H50 | 119.2° | 120.0° |
| C32 | C33 | C34 | H51 | 58.4° | 60.0° |
| C32 | C33 | C34 | H52 | 178.5° | 60.0° |
| C33 | C34 | C35 | H51 | 119.9° | 120.0° |
| C33 | C34 | C35 | H52 | 120.0° | 120.0° |
| C33 | C34 | C35 | C36 | 138.5° | 180.0° |
| C34 | C33 | C32 | H47 | 50.7° | 60.0° |
| C34 | C33 | C32 | H48 | 69.5° | 59.9° |
| C34 | C33 | H49 | H50 | 119.3° | 120.0° |
| C33 | C34 | H51 | H52 | 120.1° | 120.1° |
| C33 | C34 | C35 | H53 | 18.3° | 60.0° |
| C33 | C34 | C35 | H54 | 101.4° | 60.0° |
| C30 | O3 | C3 | H43 | 54.2° | 59.9° |
| C30 | O3 | C3 | H44 | 65.5° | 60.0° |
| O3 | C30 | C31 | H45 | 23.3° | 60.0° |
| O3 | C30 | C31 | H46 | 143.0° | 60.0° |
| O5 | C30 | C31 | H45 | 156.2° | 120.0° |
| O5 | C30 | C31 | H46 | 36.5° | 120.1° |
| O4 | C10 | C11 | C12 | 27.2° | 0.0° |
| O4 | C10 | C11 | H30 | 92.9° | 120.0° |
| O4 | C10 | C11 | H31 | 147.2° | 120.0° |
| C10 | C11 | C12 | H30 | 120.1° | 120.0° |
| C10 | C11 | C12 | H31 | 120.1° | 120.0° |
| C10 | C11 | C12 | C13 | 163.8° | 180.0° |
| C10 | C11 | C12 | H15 | 43.8° | 60.0° |
| C10 | C11 | C12 | H29 | 76.2° | 60.0° |
| C10 | C11 | H30 | H31 | 119.8° | 120.0° |
| C34 | C35 | C36 | H53 | 120.1° | 120.0° |
| C34 | C35 | C36 | H54 | 120.1° | 120.0° |
| C34 | C35 | C36 | C37 | 167.8° | 180.0° |
| C35 | C34 | C33 | H49 | 178.2° | 60.0° |
| C35 | C34 | C33 | H50 | 58.7° | 60.0° |
| C35 | C34 | H51 | H52 | 120.1° | 119.9° |
| C34 | C35 | H53 | H54 | 119.7° | 120.0° |
| C34 | C35 | C36 | H55 | 72.3° | 60.0° |
| C34 | C35 | C36 | H56 | 48.0° | 60.0° |
| C11 | C12 | C13 | H15 | 120.0° | 119.9° |
| C11 | C12 | C13 | H29 | 120.0° | 120.0° |
| C11 | C12 | C13 | C14 | 50.4° | NaN° |
| C11 | C12 | C13 | H17 | 69.6° | 60.0° |
| C11 | C12 | C13 | H27 | 170.5° | 60.0° |
| C11 | C12 | H15 | H29 | 120.0° | 120.0° |
| C12 | C11 | H30 | H31 | 119.7° | 120.0° |
| C35 | C36 | C37 | H55 | 119.9° | 120.1° |
| C35 | C36 | C37 | H56 | 119.9° | 119.9° |
| C35 | C36 | C37 | C38 | 175.5° | 180.0° |
| C36 | C35 | C34 | H51 | 101.6° | 59.9° |
| C36 | C35 | C34 | H52 | 18.5° | 60.0° |
| C36 | C35 | H53 | H54 | 119.7° | 120.0° |
| C35 | C36 | H55 | H56 | 120.4° | 120.0° |
| C35 | C36 | C37 | H57 | 64.3° | 59.9° |
| C35 | C36 | C37 | H58 | 55.4° | 60.0° |
| C36 | C37 | C38 | H57 | 120.1° | 120.1° |
| C36 | C37 | C38 | H58 | 120.1° | 120.0° |
| C36 | C37 | C38 | C39 | 169.3° | 127.6° |
| C37 | C36 | C35 | H53 | 47.7° | 60.0° |
| C37 | C36 | C35 | H54 | 72.1° | 60.1° |
| C37 | C36 | H55 | H56 | 120.4° | 120.0° |
| C36 | C37 | H57 | H58 | 119.6° | 120.0° |
| C36 | C37 | C38 | H59 | 10.7° | 52.4° |
| C37 | C38 | C39 | H59 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.5° | 7.5° |
| C38 | C37 | C36 | H55 | 55.7° | 60.0° |
| C38 | C37 | C36 | H56 | 64.6° | 60.0° |
| C38 | C37 | H57 | H58 | 119.6° | 120.0° |
| C37 | C38 | C39 | H60 | 179.5° | 172.5° |
| C38 | C39 | C40 | H60 | 180.0° | 179.9° |
| C38 | C39 | C40 | C41 | 100.0° | 126.3° |
| C39 | C38 | C37 | H57 | 70.5° | 7.6° |
| C39 | C38 | C37 | H58 | 49.2° | 112.4° |
| C38 | C39 | C40 | H81 | 140.0° | 113.7° |
| C38 | C39 | C40 | H61 | 20.0° | 6.4° |
| C12 | C13 | C14 | H17 | 120.1° | 120.0° |
| C12 | C13 | C14 | H27 | 120.0° | 120.0° |
| C12 | C13 | C14 | C15 | 178.7° | 180.0° |
| C12 | C13 | C14 | H25 | 61.3° | 60.1° |
| C12 | C13 | C14 | H26 | 58.7° | 60.0° |
| C12 | C13 | H17 | H27 | 119.9° | 120.0° |
| C13 | C12 | H15 | H29 | 120.0° | 120.1° |
| C13 | C12 | C11 | H30 | 76.1° | 60.0° |
| C13 | C12 | C11 | H31 | 43.7° | 60.0° |
| C39 | C40 | C41 | H81 | 120.0° | 120.0° |
| C39 | C40 | C41 | H61 | 120.0° | 120.0° |
| C39 | C40 | C41 | C42 | 89.3° | 180.0° |
| C40 | C39 | C38 | H59 | 179.5° | 172.4° |
| C39 | C40 | H81 | H61 | 120.0° | 120.1° |
| C39 | C40 | C41 | H80 | 150.7° | 60.0° |
| C39 | C40 | C41 | H62 | 30.8° | 60.0° |
| C13 | C14 | C15 | H25 | 120.0° | 119.9° |
| C13 | C14 | C15 | H26 | 120.0° | 120.0° |
| C13 | C14 | C15 | C16 | 77.3° | 180.0° |
| C13 | C14 | C15 | H23 | 162.7° | 60.1° |
| C13 | C14 | C15 | H24 | 42.7° | 60.0° |
| C13 | C14 | H25 | H26 | 119.9° | 120.0° |
| C14 | C13 | H17 | H27 | 119.9° | 120.0° |
| C14 | C13 | C12 | H15 | 170.5° | 60.1° |
| C14 | C13 | C12 | H29 | 69.6° | 60.0° |
| C14 | C15 | C16 | H23 | 120.0° | 119.9° |
| C14 | C15 | C16 | H24 | 120.0° | 120.0° |
| C14 | C15 | C16 | C17 | 176.8° | 180.0° |
| C14 | C15 | C16 | H21 | 63.0° | 60.0° |
| C14 | C15 | C16 | H28 | 56.7° | 59.9° |
| C14 | C15 | H23 | H24 | 120.1° | 120.0° |
| C15 | C14 | H25 | H26 | 119.9° | 120.1° |
| C15 | C14 | C13 | H17 | 58.6° | 60.0° |
| C15 | C14 | C13 | H27 | 61.3° | 60.0° |
| C40 | C41 | C42 | H80 | 120.0° | 120.0° |
| C40 | C41 | C42 | H62 | 120.1° | 120.0° |
| C40 | C41 | C42 | C43 | 111.5° | 180.0° |
| C41 | C40 | C39 | H60 | 80.0° | 53.6° |
| C41 | C40 | H81 | H61 | 120.0° | 120.0° |
| C40 | C41 | H80 | H62 | 119.9° | 120.0° |
| C40 | C41 | C42 | H63 | 128.5° | 60.0° |
| C40 | C41 | C42 | H64 | 8.6° | 59.9° |
| C15 | C16 | C17 | H21 | 120.1° | 120.0° |
| C15 | C16 | C17 | H28 | 120.1° | 120.0° |
| C15 | C16 | C17 | C18 | 113.1° | 180.0° |
| C15 | C16 | C17 | H22 | 7.0° | 60.0° |
| C15 | C16 | C17 | H19 | 126.8° | 60.0° |
| C15 | C16 | H21 | H28 | 119.6° | 119.9° |
| C16 | C15 | H23 | H24 | 120.0° | 120.1° |
| C16 | C15 | C14 | H25 | 42.7° | 60.1° |
| C16 | C15 | C14 | H26 | 162.7° | 60.0° |
| C41 | C42 | C43 | H63 | 120.0° | 120.0° |
| C41 | C42 | C43 | H64 | 120.0° | 120.0° |
| C41 | C42 | C43 | C44 | 97.7° | 180.0° |
| C42 | C41 | C40 | H81 | 30.8° | 60.0° |
| C42 | C41 | C40 | H61 | 150.8° | 60.0° |
| C42 | C41 | H80 | H62 | 119.9° | 120.0° |
| C41 | C42 | H63 | H64 | 120.0° | 119.9° |
| C41 | C42 | C43 | H65 | 142.2° | 60.0° |
| C41 | C42 | C43 | H66 | 22.3° | 60.0° |
| C16 | C17 | C18 | H22 | 120.0° | 120.0° |
| C16 | C17 | C18 | H19 | 120.1° | 120.0° |
| C16 | C17 | C18 | C19 | 94.7° | 126.4° |
| C16 | C17 | C18 | H20 | 85.3° | 53.7° |
| C16 | C17 | H22 | H19 | 119.8° | 120.0° |
| C17 | C16 | H21 | H28 | 119.7° | 120.1° |
| C17 | C16 | C15 | H23 | 56.8° | 60.1° |
| C17 | C16 | C15 | H24 | 63.2° | 60.0° |
| C42 | C43 | C44 | H65 | 120.0° | 120.0° |
| C42 | C43 | C44 | H66 | 120.0° | 120.0° |
| C42 | C43 | C44 | C45 | 161.4° | 180.0° |
| C43 | C42 | C41 | H80 | 8.6° | 60.0° |
| C43 | C42 | C41 | H62 | 128.5° | 59.9° |
| C43 | C42 | H63 | H64 | 120.0° | 120.1° |
| C42 | C43 | H65 | H66 | 120.0° | 120.1° |
| C42 | C43 | C44 | H67 | 41.3° | 60.0° |
| C42 | C43 | C44 | H68 | 78.6° | 60.0° |
| C17 | C18 | C19 | H20 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.5° | 7.5° |
| C17 | C18 | C19 | H18 | 179.5° | 172.5° |
| C18 | C17 | H22 | H19 | 119.7° | 120.0° |
| C18 | C17 | C16 | H21 | 126.8° | 60.0° |
| C18 | C17 | C16 | H28 | 7.0° | 60.0° |
| C43 | C44 | C45 | C46 | 80.4° | 180.0° |
| C43 | C44 | C45 | H67 | 120.1° | 120.0° |
| C43 | C44 | C45 | H68 | 120.1° | 120.0° |
| C44 | C43 | C42 | H63 | 22.3° | 60.0° |
| C44 | C43 | C42 | H64 | 142.3° | 60.0° |
| C44 | C43 | H65 | H66 | 120.0° | 120.0° |
| C43 | C44 | H67 | H68 | 119.8° | 120.1° |
| C43 | C44 | C45 | H69 | 39.6° | 60.0° |
| C43 | C44 | C45 | H70 | 159.5° | 60.0° |
| C18 | C19 | C20 | H18 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 96.1° | 127.7° |
| C18 | C19 | C20 | H16 | 24.0° | 7.6° |
| C18 | C19 | C20 | H13 | 143.8° | 112.3° |
| C19 | C18 | C17 | H22 | 145.3° | 113.6° |
| C19 | C18 | C17 | H19 | 25.4° | 6.4° |
| C47 | C46 | C45 | H71 | 120.0° | 120.0° |
| C47 | C46 | C45 | H72 | 120.0° | 120.0° |
| C47 | C46 | C45 | C44 | 175.7° | 180.0° |
| C47 | C46 | C45 | H69 | 55.7° | 60.0° |
| C47 | C46 | C45 | H70 | 64.3° | 60.0° |
| C47 | C46 | H71 | H72 | 120.0° | 120.0° |
| C46 | C47 | H73 | H74 | 120.0° | 120.0° |
| C46 | C47 | H73 | H75 | 120.0° | 120.0° |
| C46 | C47 | H74 | H75 | 120.0° | 120.0° |
| C46 | C45 | C44 | H69 | 120.0° | 120.0° |
| C46 | C45 | C44 | H70 | 120.0° | 120.0° |
| C46 | C45 | C44 | H67 | 39.6° | 59.9° |
| C46 | C45 | C44 | H68 | 159.5° | 60.0° |
| C46 | C45 | H69 | H70 | 119.9° | 120.0° |
| C45 | C46 | H71 | H72 | 120.0° | 120.0° |
| C45 | C46 | C47 | H73 | 180.0° | 180.0° |
| C45 | C46 | C47 | H74 | 60.0° | 60.0° |
| C45 | C46 | C47 | H75 | 60.0° | 60.0° |
| C45 | C44 | C43 | H65 | 78.6° | 60.0° |
| C45 | C44 | C43 | H66 | 41.4° | 60.0° |
| C45 | C44 | H67 | H68 | 119.8° | 119.9° |
| C44 | C45 | H69 | H70 | 119.9° | 120.0° |
| C44 | C45 | C46 | H71 | 64.3° | 60.0° |
| C44 | C45 | C46 | H72 | 55.7° | 60.0° |
| C19 | C20 | C21 | H16 | 120.1° | 120.0° |
| C19 | C20 | C21 | H13 | 120.1° | 120.0° |
| C19 | C20 | C21 | C22 | 80.8° | 180.0° |
| C19 | C20 | C21 | H14 | 39.3° | 60.0° |
| C19 | C20 | C21 | H1 | 159.2° | 60.0° |
| C19 | C20 | H16 | H13 | 119.6° | 120.0° |
| C20 | C19 | C18 | H20 | 179.5° | 172.5° |
| C20 | C21 | C22 | H14 | 120.1° | 120.0° |
| C20 | C21 | C22 | H1 | 120.1° | 119.9° |
| C20 | C21 | C22 | C23 | 179.5° | 180.0° |
| C20 | C21 | C22 | H2 | 59.5° | 60.0° |
| C20 | C21 | C22 | H3 | 60.6° | 60.0° |
| C20 | C21 | H14 | H1 | 119.8° | 120.0° |
| C21 | C20 | H16 | H13 | 119.7° | 120.0° |
| C21 | C20 | C19 | H18 | 83.9° | 52.4° |
| C21 | C22 | C23 | H2 | 120.0° | 120.0° |
| C21 | C22 | C23 | H3 | 120.0° | 120.0° |
| C21 | C22 | C23 | C24 | 166.4° | NaN° |
| C21 | C22 | C23 | H83 | 73.6° | 60.0° |
| C21 | C22 | C23 | H9 | 46.4° | 60.0° |
| C21 | C22 | H2 | H3 | 120.1° | 120.0° |
| C22 | C21 | H14 | H1 | 119.7° | 120.0° |
| C22 | C21 | C20 | H16 | 159.1° | 60.0° |
| C22 | C21 | C20 | H13 | 39.4° | 60.0° |
| C22 | C23 | C24 | H83 | 120.0° | 120.0° |
| C22 | C23 | C24 | H9 | 120.0° | 120.0° |
| C22 | C23 | C24 | C25 | 165.6° | 180.0° |
| C22 | C23 | C24 | H10 | 74.4° | 60.0° |
| C22 | C23 | C24 | H11 | 45.6° | 60.0° |
| C22 | C23 | H83 | H9 | 119.9° | 120.0° |
| C23 | C22 | H2 | H3 | 120.1° | 120.0° |
| C23 | C22 | C21 | H14 | 60.5° | 60.0° |
| C23 | C22 | C21 | H1 | 59.4° | 60.0° |
| C23 | C24 | C25 | H10 | 120.0° | 120.0° |
| C23 | C24 | C25 | H11 | 120.0° | 120.0° |
| C23 | C24 | C25 | C26 | 78.0° | 180.0° |
| C23 | C24 | C25 | H12 | 42.0° | 60.1° |
| C23 | C24 | C25 | H4 | 162.0° | 60.0° |
| C23 | C24 | H10 | H11 | 120.0° | 120.1° |
| C24 | C23 | H83 | H9 | 120.0° | 120.0° |
| C24 | C23 | C22 | H2 | 46.4° | 60.0° |
| C24 | C23 | C22 | H3 | 73.6° | 60.0° |
| C24 | C25 | C26 | H12 | 120.0° | 120.0° |
| C24 | C25 | C26 | H4 | 120.0° | 120.0° |
| C24 | C25 | C26 | C27 | 179.5° | 180.0° |
| C24 | C25 | C26 | H5 | 60.5° | 60.0° |
| C24 | C25 | C26 | H6 | 59.6° | 60.0° |
| C24 | C25 | H12 | H4 | 120.1° | 120.1° |
| C25 | C24 | H10 | H11 | 120.0° | 119.9° |
| C25 | C24 | C23 | H83 | 45.6° | 60.0° |
| C25 | C24 | C23 | H9 | 74.4° | 60.0° |
| C25 | C26 | C27 | H5 | 120.0° | 120.0° |
| C25 | C26 | C27 | H6 | 120.0° | 120.0° |
| C25 | C26 | C27 | H7 | 180.0° | 180.0° |
| C25 | C26 | C27 | H8 | 60.0° | 60.0° |
| C25 | C26 | C27 | H82 | 60.0° | 60.0° |
| C25 | C26 | H5 | H6 | 120.1° | 120.0° |
| C26 | C25 | H12 | H4 | 120.1° | 120.0° |
| C26 | C25 | C24 | H10 | 162.0° | 60.0° |
| C26 | C25 | C24 | H11 | 42.0° | 60.0° |
| C26 | C27 | H7 | H8 | 120.0° | 120.0° |
| C26 | C27 | H7 | H82 | 120.0° | 120.0° |
| C26 | C27 | H8 | H82 | 120.0° | 120.0° |
| C27 | C26 | H5 | H6 | 120.1° | 120.0° |
| C27 | C26 | C25 | H12 | 59.6° | 60.0° |
| C27 | C26 | C25 | H4 | 60.5° | 60.0° |
| H7 | C27 | H8 | H82 | 120.0° | 120.0° |
| H7 | C27 | C26 | H5 | 60.1° | 60.0° |
| H7 | C27 | C26 | H6 | 60.0° | 60.0° |
| H8 | C27 | C26 | H5 | 179.9° | 60.0° |
| H8 | C27 | C26 | H6 | 60.0° | 180.0° |
| H82 | C27 | C26 | H5 | 59.9° | 180.0° |
| H82 | C27 | C26 | H6 | 180.0° | 60.0° |
| H5 | C26 | C25 | H12 | 179.5° | 180.0° |
| H5 | C26 | C25 | H4 | 59.5° | 60.0° |
| H6 | C26 | C25 | H12 | 60.4° | 59.9° |
| H6 | C26 | C25 | H4 | 179.6° | 180.0° |
| H12 | C25 | C24 | H10 | 78.0° | 179.9° |
| H12 | C25 | C24 | H11 | 162.0° | 59.9° |
| H4 | C25 | C24 | H10 | 42.0° | 60.0° |
| H4 | C25 | C24 | H11 | 78.0° | 180.0° |
| H10 | C24 | C23 | H83 | 165.6° | 180.0° |
| H10 | C24 | C23 | H9 | 45.6° | 59.9° |
| H11 | C24 | C23 | H83 | 74.4° | 59.9° |
| H11 | C24 | C23 | H9 | 165.6° | 180.0° |
| H83 | C23 | C22 | H2 | 166.5° | 180.0° |
| H83 | C23 | C22 | H3 | 46.4° | 60.0° |
| H9 | C23 | C22 | H2 | 73.6° | 60.0° |
| H9 | C23 | C22 | H3 | 166.3° | 180.0° |
| H2 | C22 | C21 | H14 | 179.6° | 180.0° |
| H2 | C22 | C21 | H1 | 60.6° | 59.9° |
| H3 | C22 | C21 | H14 | 59.5° | 60.0° |
| H3 | C22 | C21 | H1 | 179.3° | 179.9° |
| H14 | C21 | C20 | H16 | 80.8° | 180.0° |
| H14 | C21 | C20 | H13 | 159.5° | 60.0° |
| H1 | C21 | C20 | H16 | 39.1° | 60.0° |
| H1 | C21 | C20 | H13 | 80.7° | 180.0° |
| H16 | C20 | C19 | H18 | 156.0° | 172.4° |
| H13 | C20 | C19 | H18 | 36.2° | 67.6° |
| H18 | C19 | C18 | H20 | 0.6° | 7.6° |
| H20 | C18 | C17 | H22 | 34.8° | 66.3° |
| H20 | C18 | C17 | H19 | 154.6° | 173.7° |
| H22 | C17 | C16 | H21 | 113.1° | 180.0° |
| H22 | C17 | C16 | H28 | 127.1° | 60.0° |
| H19 | C17 | C16 | H21 | 6.7° | 60.0° |
| H19 | C17 | C16 | H28 | 113.1° | 180.0° |
| H21 | C16 | C15 | H23 | 176.9° | 179.9° |
| H21 | C16 | C15 | H24 | 56.9° | 60.0° |
| H28 | C16 | C15 | H23 | 63.3° | 60.0° |
| H28 | C16 | C15 | H24 | 176.7° | 180.0° |
| H23 | C15 | C14 | H25 | 77.3° | 180.0° |
| H23 | C15 | C14 | H26 | 42.7° | 59.9° |
| H24 | C15 | C14 | H25 | 162.7° | 60.0° |
| H24 | C15 | C14 | H26 | 77.4° | 180.0° |
| H25 | C14 | C13 | H17 | 178.7° | 180.0° |
| H25 | C14 | C13 | H27 | 58.7° | 60.0° |
| H26 | C14 | C13 | H17 | 61.4° | 60.0° |
| H26 | C14 | C13 | H27 | 178.7° | 180.0° |
| H17 | C13 | C12 | H15 | 50.4° | 179.9° |
| H17 | C13 | C12 | H29 | 170.4° | 60.0° |
| H27 | C13 | C12 | H15 | 69.5° | 60.0° |
| H27 | C13 | C12 | H29 | 50.4° | 180.0° |
| H15 | C12 | C11 | H30 | 163.9° | 180.0° |
| H15 | C12 | C11 | H31 | 76.3° | 60.0° |
| H29 | C12 | C11 | H30 | 43.9° | 60.0° |
| H29 | C12 | C11 | H31 | 163.7° | NaN° |
| H32 | C2 | C1 | H33 | 125.6° | 55.0° |
| H32 | C2 | C1 | H34 | 114.5° | 64.9° |
| H32 | C2 | C3 | H43 | 74.0° | 64.9° |
| H32 | C2 | C3 | H44 | 166.3° | 55.1° |
| H36 | C4 | C5 | H38 | 31.5° | 64.9° |
| H36 | C4 | C5 | H39 | 88.2° | 175.0° |
| H37 | C4 | C5 | H38 | 151.6° | 55.0° |
| H37 | C4 | C5 | H39 | 32.0° | 65.1° |
| H38 | C5 | N | H40 | 59.8° | 60.0° |
| H38 | C5 | N | H41 | 60.2° | 176.1° |
| H39 | C5 | N | H40 | 59.8° | 60.0° |
| H39 | C5 | N | H41 | 179.8° | 63.9° |
| H45 | C31 | C32 | H47 | 171.6° | 180.0° |
| H45 | C31 | C32 | H48 | 68.2° | 60.0° |
| H46 | C31 | C32 | H47 | 51.8° | 60.0° |
| H46 | C31 | C32 | H48 | 172.0° | 180.0° |
| H47 | C32 | C33 | H49 | 170.9° | 179.9° |
| H47 | C32 | C33 | H50 | 69.6° | 60.0° |
| H48 | C32 | C33 | H49 | 50.8° | 60.0° |
| H48 | C32 | C33 | H50 | 170.2° | 179.9° |
| H49 | C33 | C34 | H51 | 61.9° | 180.0° |
| H49 | C33 | C34 | H52 | 58.2° | 59.9° |
| H50 | C33 | C34 | H51 | 178.6° | 60.0° |
| H50 | C33 | C34 | H52 | 61.3° | 180.0° |
| H51 | C34 | C35 | H53 | 138.3° | 180.0° |
| H51 | C34 | C35 | H54 | 18.5° | 60.0° |
| H52 | C34 | C35 | H53 | 101.6° | 60.0° |
| H52 | C34 | C35 | H54 | 138.6° | 180.0° |
| H53 | C35 | C36 | H55 | 167.6° | 180.0° |
| H53 | C35 | C36 | H56 | 72.1° | 59.9° |
| H54 | C35 | C36 | H55 | 47.8° | 60.0° |
| H54 | C35 | C36 | H56 | 168.1° | 180.0° |
| H55 | C36 | C37 | H57 | 175.8° | 180.0° |
| H55 | C36 | C37 | H58 | 64.4° | 60.0° |
| H56 | C36 | C37 | H57 | 55.5° | 60.0° |
| H56 | C36 | C37 | H58 | 175.3° | 180.0° |
| H57 | C37 | C38 | H59 | 109.4° | 172.5° |
| H58 | C37 | C38 | H59 | 130.8° | 67.6° |
| H59 | C38 | C39 | H60 | 0.5° | 7.5° |
| H60 | C39 | C40 | H81 | 40.0° | 66.3° |
| H60 | C39 | C40 | H61 | 160.0° | 173.6° |
| H81 | C40 | C41 | H80 | 89.3° | 180.0° |
| H81 | C40 | C41 | H62 | 150.8° | 60.0° |
| H61 | C40 | C41 | H80 | 30.7° | 60.0° |
| H61 | C40 | C41 | H62 | 89.2° | 180.0° |
| H80 | C41 | C42 | H63 | 111.4° | NaN° |
| H80 | C41 | C42 | H64 | 128.6° | 60.1° |
| H62 | C41 | C42 | H63 | 8.5° | 60.1° |
| H62 | C41 | C42 | H64 | 111.5° | 180.0° |
| H63 | C42 | C43 | H65 | 97.8° | 180.0° |
| H63 | C42 | C43 | H66 | 142.3° | 59.9° |
| H64 | C42 | C43 | H65 | 22.2° | 60.0° |
| H64 | C42 | C43 | H66 | 97.7° | 180.0° |
| H65 | C43 | C44 | H67 | 161.4° | 180.0° |
| H65 | C43 | C44 | H68 | 41.5° | 59.9° |
| H66 | C43 | C44 | H67 | 78.7° | 60.0° |
| H66 | C43 | C44 | H68 | 161.4° | 180.0° |
| H67 | C44 | C45 | H69 | 159.7° | 179.9° |
| H67 | C44 | C45 | H70 | 80.4° | 60.0° |
| H68 | C44 | C45 | H69 | 80.5° | 60.0° |
| H68 | C44 | C45 | H70 | 39.5° | 180.0° |
| H69 | C45 | C46 | H71 | 175.7° | 180.0° |
| H69 | C45 | C46 | H72 | 64.3° | 60.0° |
| H70 | C45 | C46 | H71 | 55.7° | 60.0° |
| H70 | C45 | C46 | H72 | 175.7° | 180.0° |
| H71 | C46 | C47 | H73 | 60.0° | 60.0° |
| H71 | C46 | C47 | H74 | 60.0° | 180.0° |
| H71 | C46 | C47 | H75 | 180.0° | 60.0° |
| H72 | C46 | C47 | H73 | 60.0° | 60.0° |
| H72 | C46 | C47 | H74 | 180.0° | 60.0° |
| H72 | C46 | C47 | H75 | 60.0° | 180.0° |
| H73 | C47 | H74 | H75 | 120.0° | 120.0° |
