WES
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O48 | P46 | doub | 1.48Å | 1.48Å | |
| O47 | P46 | sing | 1.61Å | 1.48Å | |
| O49 | P46 | sing | 1.61Å | 1.48Å | |
| P46 | O45 | sing | 1.61Å | 1.62Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C21 | O20 | sing | 1.45Å | 1.44Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| O20 | C18 | sing | 1.34Å | 1.37Å | |
| C18 | O19 | doub | 1.21Å | 1.23Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| O51 | C50 | sing | 1.43Å | 1.44Å | |
| O45 | C44 | sing | 1.43Å | 1.47Å | |
| O54 | C53 | doub | 1.21Å | 1.23Å | |
| O52 | C22 | sing | 1.45Å | 1.45Å | |
| O52 | C53 | sing | 1.34Å | 1.37Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C53 | C55 | sing | 1.51Å | 1.52Å | |
| C23 | O24 | sing | 1.43Å | 1.42Å | |
| O42 | P40 | doub | 1.48Å | 1.48Å | |
| C55 | C56 | sing | 1.53Å | 1.53Å | |
| O24 | P25 | sing | 1.61Å | 1.61Å | |
| C44 | C50 | sing | 1.53Å | 1.53Å | |
| C44 | C38 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C50 | C29 | sing | 1.53Å | 1.53Å | |
| C56 | C57 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C57 | C58 | sing | 1.53Å | 1.53Å | |
| P40 | O39 | sing | 1.61Å | 1.63Å | |
| P40 | O41 | sing | 1.61Å | 1.49Å | |
| P40 | O43 | sing | 1.61Å | 1.47Å | |
| O39 | C38 | sing | 1.43Å | 1.48Å | |
| C29 | O28 | sing | 1.43Å | 1.45Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| O28 | P25 | sing | 1.61Å | 1.64Å | |
| C38 | C32 | sing | 1.53Å | 1.56Å | |
| P25 | O26 | doub | 1.48Å | 1.47Å | |
| P25 | O27 | sing | 1.61Å | 1.48Å | |
| C58 | C59 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C59 | C60 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | C09 | doub | 1.31Å | 1.54Å | |
| C32 | C30 | sing | 1.53Å | 1.52Å | |
| C32 | O33 | sing | 1.43Å | 1.44Å | |
| C30 | O31 | sing | 1.43Å | 1.45Å | |
| C09 | C08 | sing | 1.51Å | 1.54Å | |
| C08 | C07 | sing | 1.53Å | 1.54Å | |
| O37 | P34 | doub | 1.48Å | 1.47Å | |
| C60 | C61 | sing | 1.53Å | 1.53Å | |
| O33 | P34 | sing | 1.61Å | 1.58Å | |
| P34 | O35 | sing | 1.61Å | 1.48Å | |
| P34 | O36 | sing | 1.61Å | 1.47Å | |
| C07 | C06 | sing | 1.53Å | 1.54Å | |
| C61 | C62 | sing | 1.51Å | 1.53Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C63 | C62 | doub | 1.31Å | 1.52Å | |
| C63 | C64 | sing | 1.51Å | 1.52Å | |
| C66 | C65 | sing | 1.53Å | 1.53Å | |
| C66 | C67 | sing | 1.53Å | 1.53Å | |
| C65 | C64 | sing | 1.53Å | 1.54Å | |
| C67 | C68 | sing | 1.53Å | 1.53Å | |
| C68 | C69 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H2A | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H2E | sing | 1.09Å | 1.10Å | |
| C17 | H2D | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C05 | H1B | sing | 1.09Å | 1.10Å | |
| C06 | H1D | sing | 1.09Å | 1.10Å | |
| C06 | H1C | sing | 1.09Å | 1.10Å | |
| C07 | H1F | sing | 1.09Å | 1.10Å | |
| C07 | H1E | sing | 1.09Å | 1.10Å | |
| C08 | H1H | sing | 1.09Å | 1.10Å | |
| C08 | H1G | sing | 1.09Å | 1.10Å | |
| C09 | H1I | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H2B | sing | 1.09Å | 1.10Å | |
| C16 | H2C | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C55 | H56 | sing | 1.09Å | 1.10Å | |
| C55 | H55 | sing | 1.09Å | 1.10Å | |
| C56 | H58 | sing | 1.09Å | 1.10Å | |
| C56 | H57 | sing | 1.09Å | 1.10Å | |
| C57 | H59 | sing | 1.09Å | 1.10Å | |
| C57 | H6A | sing | 1.09Å | 1.10Å | |
| C58 | H6B | sing | 1.09Å | 1.10Å | |
| C58 | H6C | sing | 1.09Å | 1.10Å | |
| C59 | H6E | sing | 1.09Å | 1.10Å | |
| C59 | H6D | sing | 1.09Å | 1.10Å | |
| C60 | H60 | sing | 1.09Å | 1.10Å | |
| C60 | H61 | sing | 1.09Å | 1.10Å | |
| C61 | H63 | sing | 1.09Å | 1.10Å | |
| C61 | H62 | sing | 1.09Å | 1.10Å | |
| C62 | H64 | sing | 1.08Å | 1.08Å | |
| C63 | H65 | sing | 1.08Å | 1.08Å | |
| C64 | H66 | sing | 1.09Å | 1.10Å | |
| C64 | H67 | sing | 1.09Å | 1.10Å | |
| C65 | H69 | sing | 1.09Å | 1.10Å | |
| C65 | H68 | sing | 1.09Å | 1.10Å | |
| C66 | H7A | sing | 1.09Å | 1.10Å | |
| C66 | H7B | sing | 1.09Å | 1.10Å | |
| C67 | H7C | sing | 1.09Å | 1.10Å | |
| C67 | H7D | sing | 1.09Å | 1.10Å | |
| C68 | H7F | sing | 1.09Å | 1.10Å | |
| C68 | H7E | sing | 1.09Å | 1.10Å | |
| C69 | H7G | sing | 1.09Å | 1.10Å | |
| C69 | H7H | sing | 1.09Å | 1.10Å | |
| O27 | H3 | sing | 0.97Å | 0.95Å | |
| O31 | H31 | sing | 0.97Å | 0.95Å | |
| O35 | H4 | sing | 0.97Å | 0.95Å | |
| O36 | H5 | sing | 0.97Å | 0.95Å | |
| O41 | H6 | sing | 0.97Å | 0.95Å | |
| O43 | H7 | sing | 0.97Å | 0.95Å | |
| O47 | H8 | sing | 0.97Å | 0.95Å | |
| O49 | H9 | sing | 0.97Å | 0.95Å | |
| O51 | H51 | sing | 0.97Å | 0.95Å | |
| C69 | C1 | sing | 1.53Å | 34.11Å | |
| C1 | C2 | sing | 1.53Å | 0.00Å | |
| C05 | C3 | sing | 1.53Å | 33.47Å | |
| C3 | C4 | sing | 1.53Å | 0.00Å | |
| C4 | C5 | sing | 1.53Å | 0.00Å | |
| C5 | C6 | sing | 1.53Å | 0.00Å | |
| C05 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 0.00Å | |
| C1 | H20 | sing | 1.09Å | 0.00Å | |
| C2 | H26 | sing | 1.09Å | 0.00Å | |
| C2 | H27 | sing | 1.09Å | 0.00Å | |
| C2 | H28 | sing | 1.09Å | 0.00Å | |
| C3 | H33 | sing | 1.09Å | 0.00Å | |
| C3 | H34 | sing | 1.09Å | 0.00Å | |
| C4 | H35 | sing | 1.09Å | 0.00Å | |
| C4 | H36 | sing | 1.09Å | 0.00Å | |
| C5 | H37 | sing | 1.09Å | 0.00Å | |
| C5 | H39 | sing | 1.09Å | 0.00Å | |
| C6 | H40 | sing | 1.09Å | 0.00Å | |
| C6 | H41 | sing | 1.09Å | 0.00Å | |
| C6 | H42 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O48 | P46 | O47 | 114.0° | 109.5° |
| O48 | P46 | O49 | 116.7° | 109.5° |
| O48 | P46 | O45 | 104.3° | 109.5° |
| O47 | P46 | O49 | 114.0° | 109.5° |
| O47 | P46 | O45 | 100.2° | 109.5° |
| P46 | O47 | H8 | 109.5° | 114.0° |
| O49 | P46 | O45 | 105.2° | 109.5° |
| P46 | O49 | H9 | 109.5° | 114.0° |
| P46 | O45 | C44 | 124.8° | 123.0° |
| C18 | C17 | C16 | 108.4° | 109.5° |
| C17 | C18 | O20 | 116.2° | 120.0° |
| C17 | C18 | O19 | 120.1° | 120.0° |
| C18 | C17 | H2E | 109.7° | 109.5° |
| C18 | C17 | H2D | 109.8° | 109.5° |
| C17 | C16 | C15 | 108.8° | 109.5° |
| C16 | C17 | H2E | 109.7° | 109.5° |
| C16 | C17 | H2D | 109.7° | 109.5° |
| C17 | C16 | H2B | 109.6° | 109.5° |
| C17 | C16 | H2C | 109.7° | 109.5° |
| O20 | C21 | C22 | 109.7° | 109.5° |
| C21 | O20 | C18 | 114.2° | 117.0° |
| O20 | C21 | H21 | 109.4° | 109.4° |
| O20 | C21 | H22 | 109.4° | 109.5° |
| C21 | C22 | O52 | 112.3° | 109.5° |
| C21 | C22 | C23 | 107.2° | 109.5° |
| C22 | C21 | H21 | 109.4° | 109.5° |
| C22 | C21 | H22 | 109.4° | 109.5° |
| C21 | C22 | H23 | 108.3° | 109.5° |
| O20 | C18 | O19 | 123.6° | 120.0° |
| C16 | C15 | C14 | 108.8° | 109.5° |
| C16 | C15 | H2A | 109.6° | 109.5° |
| C16 | C15 | H19 | 109.6° | 109.4° |
| C15 | C16 | H2B | 109.6° | 109.5° |
| C15 | C16 | H2C | 109.6° | 109.4° |
| C15 | C14 | C13 | 109.3° | 109.5° |
| C14 | C15 | H2A | 109.7° | 109.5° |
| C14 | C15 | H19 | 109.6° | 109.4° |
| C15 | C14 | H18 | 109.5° | 109.5° |
| C15 | C14 | H17 | 109.5° | 109.5° |
| O51 | C50 | C44 | 109.0° | 109.4° |
| O51 | C50 | C29 | 107.9° | 109.5° |
| O51 | C50 | H50 | 110.2° | 109.5° |
| C50 | O51 | H51 | 109.5° | 114.0° |
| O45 | C44 | C50 | 110.2° | 109.5° |
| O45 | C44 | C38 | 109.4° | 109.5° |
| O45 | C44 | H44 | 109.7° | 109.5° |
| O54 | C53 | O52 | 125.3° | 120.0° |
| O54 | C53 | C55 | 119.3° | 120.0° |
| C22 | O52 | C53 | 111.7° | 117.0° |
| O52 | C22 | C23 | 111.0° | 109.5° |
| O52 | C22 | H23 | 109.6° | 109.5° |
| O52 | C53 | C55 | 115.4° | 120.0° |
| C22 | C23 | O24 | 110.2° | 109.5° |
| C23 | C22 | H23 | 108.4° | 109.5° |
| C22 | C23 | H24 | 109.3° | 109.5° |
| C22 | C23 | H25 | 109.3° | 109.5° |
| C53 | C55 | C56 | 110.7° | 109.5° |
| C53 | C55 | H56 | 109.2° | 109.5° |
| C53 | C55 | H55 | 109.2° | 109.4° |
| C23 | O24 | P25 | 121.2° | 123.0° |
| O24 | C23 | H24 | 109.3° | 109.5° |
| O24 | C23 | H25 | 109.3° | 109.4° |
| O42 | P40 | O39 | 104.0° | 109.4° |
| O42 | P40 | O41 | 114.7° | 109.5° |
| O42 | P40 | O43 | 116.3° | 109.5° |
| C55 | C56 | C57 | 107.6° | 109.5° |
| C56 | C55 | H56 | 109.2° | 109.5° |
| C56 | C55 | H55 | 109.1° | 109.5° |
| C55 | C56 | H58 | 109.9° | 109.5° |
| C55 | C56 | H57 | 109.9° | 109.5° |
| O24 | P25 | O28 | 100.4° | 109.5° |
| O24 | P25 | O26 | 110.3° | 109.4° |
| O24 | P25 | O27 | 106.7° | 109.5° |
| C50 | C44 | C38 | 109.9° | 109.4° |
| C44 | C50 | C29 | 111.9° | 109.5° |
| C50 | C44 | H44 | 108.8° | 109.5° |
| C44 | C50 | H50 | 108.9° | 109.5° |
| C44 | C38 | O39 | 110.0° | 109.4° |
| C44 | C38 | C32 | 109.8° | 109.4° |
| C44 | C38 | H38 | 108.5° | 109.5° |
| C38 | C44 | H44 | 108.7° | 109.5° |
| C14 | C13 | C12 | 108.2° | 109.5° |
| C14 | C13 | H15 | 109.8° | 109.5° |
| C14 | C13 | H16 | 109.7° | 109.5° |
| C13 | C14 | H18 | 109.5° | 109.5° |
| C13 | C14 | H17 | 109.5° | 109.5° |
| C50 | C29 | O28 | 109.4° | 109.5° |
| C50 | C29 | C30 | 112.7° | 109.5° |
| C50 | C29 | H29 | 108.1° | 109.5° |
| C29 | C50 | H50 | 108.9° | 109.5° |
| C56 | C57 | C58 | 110.0° | 109.5° |
| C57 | C56 | H58 | 109.9° | 109.4° |
| C57 | C56 | H57 | 109.9° | 109.5° |
| C56 | C57 | H59 | 109.3° | 109.4° |
| C56 | C57 | H6A | 109.3° | 109.5° |
| C13 | C12 | C11 | 109.7° | 109.5° |
| C12 | C13 | H15 | 109.8° | 109.5° |
| C12 | C13 | H16 | 109.8° | 109.5° |
| C13 | C12 | H13 | 109.4° | 109.5° |
| C13 | C12 | H14 | 109.4° | 109.5° |
| C57 | C58 | C59 | 108.7° | 109.5° |
| C58 | C57 | H59 | 109.3° | 109.4° |
| C58 | C57 | H6A | 109.4° | 109.5° |
| C57 | C58 | H6B | 109.7° | 109.4° |
| C57 | C58 | H6C | 109.7° | 109.5° |
| O39 | P40 | O41 | 102.3° | 109.5° |
| O39 | P40 | O43 | 103.9° | 109.5° |
| P40 | O39 | C38 | 124.5° | 123.0° |
| O41 | P40 | O43 | 113.3° | 109.5° |
| P40 | O41 | H6 | 109.5° | 114.0° |
| P40 | O43 | H7 | 109.5° | 114.0° |
| O39 | C38 | C32 | 111.0° | 109.5° |
| O39 | C38 | H38 | 109.2° | 109.5° |
| O28 | C29 | C30 | 109.6° | 109.5° |
| C29 | O28 | P25 | 122.9° | 123.0° |
| O28 | C29 | H29 | 109.2° | 109.5° |
| C29 | C30 | C32 | 109.0° | 109.5° |
| C29 | C30 | O31 | 113.9° | 109.5° |
| C30 | C29 | H29 | 107.9° | 109.4° |
| C29 | C30 | H30 | 107.3° | 109.5° |
| O28 | P25 | O26 | 108.8° | 109.5° |
| O28 | P25 | O27 | 109.1° | 109.5° |
| C38 | C32 | C30 | 112.5° | 109.5° |
| C38 | C32 | O33 | 111.6° | 109.4° |
| C38 | C32 | H32 | 107.9° | 109.5° |
| C32 | C38 | H38 | 108.3° | 109.5° |
| O26 | P25 | O27 | 119.8° | 109.5° |
| P25 | O27 | H3 | 109.5° | 114.0° |
| C58 | C59 | C60 | 109.3° | 109.5° |
| C59 | C58 | H6B | 109.7° | 109.5° |
| C59 | C58 | H6C | 109.7° | 109.5° |
| C58 | C59 | H6E | 109.5° | 109.5° |
| C58 | C59 | H6D | 109.5° | 109.5° |
| C12 | C11 | C10 | 110.3° | 109.5° |
| C12 | C11 | H12 | 109.3° | 109.4° |
| C12 | C11 | H11 | 109.3° | 109.5° |
| C11 | C12 | H13 | 109.4° | 109.5° |
| C11 | C12 | H14 | 109.4° | 109.5° |
| C59 | C60 | C61 | 109.1° | 109.5° |
| C60 | C59 | H6E | 109.5° | 109.5° |
| C60 | C59 | H6D | 109.5° | 109.5° |
| C59 | C60 | H60 | 109.6° | 109.5° |
| C59 | C60 | H61 | 109.6° | 109.5° |
| C11 | C10 | C09 | 113.8° | 120.0° |
| C11 | C10 | H10 | 123.1° | 120.0° |
| C10 | C11 | H12 | 109.3° | 109.5° |
| C10 | C11 | H11 | 109.3° | 109.5° |
| C10 | C09 | C08 | 116.5° | 120.0° |
| C09 | C10 | H10 | 123.1° | 120.0° |
| C10 | C09 | H1I | 121.8° | 120.0° |
| C30 | C32 | O33 | 107.2° | 109.5° |
| C32 | C30 | O31 | 110.2° | 109.5° |
| C32 | C30 | H30 | 107.6° | 109.5° |
| C30 | C32 | H32 | 108.2° | 109.5° |
| C32 | O33 | P34 | 117.6° | 123.0° |
| O33 | C32 | H32 | 109.4° | 109.5° |
| O31 | C30 | H30 | 108.5° | 109.4° |
| C30 | O31 | H31 | 109.5° | 114.0° |
| C09 | C08 | C07 | 110.1° | 109.4° |
| C09 | C08 | H1H | 109.3° | 109.5° |
| C09 | C08 | H1G | 109.3° | 109.5° |
| C08 | C09 | H1I | 121.8° | 120.0° |
| C08 | C07 | C06 | 109.9° | 109.4° |
| C08 | C07 | H1F | 109.4° | 109.5° |
| C08 | C07 | H1E | 109.4° | 109.5° |
| C07 | C08 | H1H | 109.3° | 109.5° |
| C07 | C08 | H1G | 109.3° | 109.5° |
| O37 | P34 | O33 | 103.0° | 109.5° |
| O37 | P34 | O35 | 114.7° | 109.4° |
| O37 | P34 | O36 | 116.3° | 109.5° |
| C60 | C61 | C62 | 108.6° | 109.5° |
| C61 | C60 | H60 | 109.5° | 109.4° |
| C61 | C60 | H61 | 109.5° | 109.5° |
| C60 | C61 | H63 | 109.7° | 109.4° |
| C60 | C61 | H62 | 109.7° | 109.5° |
| O33 | P34 | O35 | 99.7° | 109.5° |
| O33 | P34 | O36 | 105.0° | 109.5° |
| O35 | P34 | O36 | 115.1° | 109.5° |
| P34 | O35 | H4 | 109.5° | 114.0° |
| P34 | O36 | H5 | 109.5° | 114.0° |
| C07 | C06 | C05 | 110.9° | 109.5° |
| C07 | C06 | H1D | 109.1° | 109.5° |
| C07 | C06 | H1C | 109.1° | 109.5° |
| C06 | C07 | H1F | 109.4° | 109.5° |
| C06 | C07 | H1E | 109.4° | 109.5° |
| C61 | C62 | C63 | 114.0° | 120.0° |
| C62 | C61 | H63 | 109.7° | 109.4° |
| C62 | C61 | H62 | 109.7° | 109.5° |
| C61 | C62 | H64 | 123.0° | 119.9° |
| C06 | C05 | H1B | 107.1° | 109.5° |
| C05 | C06 | H1D | 109.1° | 109.5° |
| C05 | C06 | H1C | 109.1° | 109.4° |
| C06 | C05 | C3 | 118.7° | 109.5° |
| C06 | C05 | H1 | 107.1° | 109.4° |
| C62 | C63 | C64 | 114.2° | 120.0° |
| C63 | C62 | H64 | 123.0° | 120.0° |
| C62 | C63 | H65 | 122.9° | 120.0° |
| C63 | C64 | C65 | 109.1° | 109.4° |
| C64 | C63 | H65 | 122.9° | 120.0° |
| C63 | C64 | H66 | 109.6° | 109.5° |
| C63 | C64 | H67 | 109.6° | 109.4° |
| C65 | C66 | C67 | 110.1° | 109.5° |
| C66 | C65 | C64 | 110.5° | 109.4° |
| C66 | C65 | H69 | 109.2° | 109.5° |
| C66 | C65 | H68 | 109.2° | 109.5° |
| C65 | C66 | H7A | 109.3° | 109.5° |
| C65 | C66 | H7B | 109.3° | 109.5° |
| C66 | C67 | C68 | 110.2° | 109.5° |
| C67 | C66 | H7A | 109.3° | 109.4° |
| C67 | C66 | H7B | 109.3° | 109.5° |
| C66 | C67 | H7C | 109.3° | 109.4° |
| C66 | C67 | H7D | 109.3° | 109.5° |
| C65 | C64 | H66 | 109.6° | 109.5° |
| C65 | C64 | H67 | 109.6° | 109.5° |
| C64 | C65 | H69 | 109.2° | 109.5° |
| C64 | C65 | H68 | 109.2° | 109.4° |
| C67 | C68 | C69 | 111.0° | 109.5° |
| C68 | C67 | H7C | 109.3° | 109.4° |
| C68 | C67 | H7D | 109.3° | 109.5° |
| C67 | C68 | H7F | 109.1° | 109.4° |
| C67 | C68 | H7E | 109.1° | 109.5° |
| C69 | C68 | H7F | 109.1° | 109.5° |
| C69 | C68 | H7E | 109.1° | 109.5° |
| C68 | C69 | H7G | 101.0° | 109.5° |
| C68 | C69 | H7H | 101.0° | 109.5° |
| C68 | C69 | C1 | 141.4° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.4° |
| H2A | C15 | H19 | 109.5° | 109.5° |
| H2E | C17 | H2D | 109.5° | 109.4° |
| H21 | C21 | H22 | 109.5° | 109.4° |
| H1B | C05 | C3 | 107.1° | 109.5° |
| H1B | C05 | H1 | 109.4° | 109.4° |
| H1D | C06 | H1C | 109.5° | 109.4° |
| H1F | C07 | H1E | 109.5° | 109.5° |
| H1H | C08 | H1G | 109.4° | 109.5° |
| H12 | C11 | H11 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.4° |
| H18 | C14 | H17 | 109.5° | 109.4° |
| H2B | C16 | H2C | 109.5° | 109.4° |
| H24 | C23 | H25 | 109.4° | 109.4° |
| H56 | C55 | H55 | 109.5° | 109.5° |
| H58 | C56 | H57 | 109.5° | 109.5° |
| H59 | C57 | H6A | 109.4° | 109.5° |
| H6B | C58 | H6C | 109.4° | 109.5° |
| H6E | C59 | H6D | 109.5° | 109.5° |
| H60 | C60 | H61 | 109.5° | 109.5° |
| H63 | C61 | H62 | 109.5° | 109.4° |
| H66 | C64 | H67 | 109.5° | 109.5° |
| H69 | C65 | H68 | 109.5° | 109.5° |
| H7A | C66 | H7B | 109.5° | 109.4° |
| H7C | C67 | H7D | 109.5° | 109.5° |
| H7F | C68 | H7E | 109.5° | 109.5° |
| H7G | C69 | H7H | 109.5° | 109.4° |
| H7G | C69 | C1 | 101.0° | 109.5° |
| H7H | C69 | C1 | 101.0° | 109.5° |
| C69 | C1 | C2 | 90.0° | 109.5° |
| C69 | C1 | H2 | 90.0° | 109.5° |
| C69 | C1 | H20 | 90.0° | 109.5° |
| C2 | C1 | H2 | 90.0° | 109.4° |
| C2 | C1 | H20 | 90.0° | 109.4° |
| C1 | C2 | H26 | 90.0° | 109.5° |
| C1 | C2 | H27 | 90.0° | 109.5° |
| C1 | C2 | H28 | 90.0° | 109.4° |
| C05 | C3 | C4 | 90.0° | 109.5° |
| C3 | C05 | H1 | 107.1° | 109.5° |
| C05 | C3 | H33 | 90.0° | 109.4° |
| C05 | C3 | H34 | 90.0° | 109.5° |
| C3 | C4 | C5 | 90.0° | 109.5° |
| C4 | C3 | H33 | 90.0° | 109.5° |
| C4 | C3 | H34 | 90.0° | 109.5° |
| C3 | C4 | H35 | 90.0° | 109.5° |
| C3 | C4 | H36 | 90.0° | 109.5° |
| C4 | C5 | C6 | 90.0° | 109.5° |
| C5 | C4 | H35 | 90.0° | 109.5° |
| C5 | C4 | H36 | 90.0° | 109.4° |
| C4 | C5 | H37 | 90.0° | 109.4° |
| C4 | C5 | H39 | 90.0° | 109.4° |
| C6 | C5 | H37 | 90.0° | 109.5° |
| C6 | C5 | H39 | 90.0° | 109.5° |
| C5 | C6 | H40 | 90.0° | 109.5° |
| C5 | C6 | H41 | 90.0° | 109.4° |
| C5 | C6 | H42 | 90.0° | 109.5° |
| H2 | C1 | H20 | 90.0° | 109.5° |
| H26 | C2 | H27 | 90.0° | 109.5° |
| H26 | C2 | H28 | 90.0° | 109.5° |
| H27 | C2 | H28 | 90.0° | 109.5° |
| H33 | C3 | H34 | 90.0° | 109.4° |
| H35 | C4 | H36 | 90.0° | 109.5° |
| H37 | C5 | H39 | 90.0° | 109.5° |
| H40 | C6 | H41 | 90.0° | 109.5° |
| H40 | C6 | H42 | 90.0° | 109.5° |
| H41 | C6 | H42 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O48 | P46 | O47 | O49 | 137.5° | 120.0° |
| O48 | P46 | O47 | O45 | 110.7° | 120.0° |
| O48 | P46 | O49 | O45 | 115.0° | 120.0° |
| O48 | P46 | O45 | C44 | 128.4° | 55.0° |
| O48 | P46 | O47 | H8 | 0.0° | 180.0° |
| O48 | P46 | O49 | H9 | 0.0° | 60.0° |
| O47 | P46 | O49 | O45 | 108.7° | 120.0° |
| O47 | P46 | O45 | C44 | 113.5° | 65.1° |
| O47 | P46 | O49 | H9 | 136.2° | 60.0° |
| O49 | P46 | O45 | C44 | 5.1° | 175.0° |
| O49 | P46 | O47 | H8 | 137.5° | 60.0° |
| P46 | O45 | C44 | C50 | 86.1° | 120.0° |
| P46 | O45 | C44 | C38 | 153.0° | 120.0° |
| P46 | O45 | C44 | H44 | 33.7° | 0.0° |
| O45 | P46 | O47 | H8 | 110.7° | 59.9° |
| O45 | P46 | O49 | H9 | 115.0° | 180.0° |
| C18 | C17 | C16 | H2E | 119.8° | 120.1° |
| C18 | C17 | C16 | H2D | 119.8° | 120.0° |
| C17 | C18 | O20 | C21 | 24.2° | 180.0° |
| C17 | C18 | O20 | O19 | 177.7° | 180.0° |
| C18 | C17 | C16 | C15 | 132.5° | 180.0° |
| C18 | C17 | H2E | H2D | 120.5° | 120.0° |
| C18 | C17 | C16 | H2B | 107.7° | 59.9° |
| C18 | C17 | C16 | H2C | 12.6° | 60.0° |
| C16 | C17 | C18 | O20 | 160.9° | 180.0° |
| C16 | C17 | C18 | O19 | 21.3° | 0.0° |
| C17 | C16 | C15 | H2B | 119.9° | 120.1° |
| C17 | C16 | C15 | H2C | 119.9° | 120.0° |
| C17 | C16 | C15 | C14 | 133.6° | NaN° |
| C17 | C16 | C15 | H2A | 13.7° | 59.9° |
| C17 | C16 | C15 | H19 | 106.5° | 60.1° |
| C16 | C17 | H2E | H2D | 120.5° | 120.0° |
| C17 | C16 | H2B | H2C | 120.3° | 120.0° |
| O20 | C21 | C22 | H21 | 120.0° | 120.0° |
| O20 | C21 | C22 | H22 | 120.0° | 120.1° |
| C21 | O20 | C18 | O19 | 158.2° | 0.0° |
| O20 | C21 | C22 | O52 | 168.8° | 65.0° |
| O20 | C21 | C22 | C23 | 69.0° | 55.0° |
| O20 | C21 | H21 | H22 | 119.9° | 120.0° |
| O20 | C21 | C22 | H23 | 47.7° | 174.9° |
| C22 | C21 | O20 | C18 | 99.3° | 180.0° |
| C21 | C22 | O52 | C23 | 120.0° | 120.0° |
| C21 | C22 | O52 | H23 | 120.3° | 120.0° |
| C21 | C22 | O52 | C53 | 83.2° | 150.0° |
| C21 | C22 | C23 | H23 | 116.7° | 120.0° |
| C21 | C22 | C23 | O24 | 142.9° | 55.0° |
| C22 | C21 | H21 | H22 | 119.9° | 120.0° |
| C21 | C22 | C23 | H24 | 97.0° | 175.0° |
| C21 | C22 | C23 | H25 | 22.8° | 65.0° |
| O20 | C18 | C17 | H2E | 41.1° | 59.9° |
| O20 | C18 | C17 | H2D | 79.2° | 60.0° |
| C18 | O20 | C21 | H21 | 140.7° | 60.0° |
| C18 | O20 | C21 | H22 | 20.7° | 59.9° |
| O19 | C18 | C17 | H2E | 141.2° | 120.1° |
| O19 | C18 | C17 | H2D | 98.5° | 120.0° |
| C16 | C15 | C14 | H2A | 119.9° | 120.1° |
| C16 | C15 | C14 | H19 | 119.9° | 119.9° |
| C16 | C15 | C14 | C13 | 172.0° | 180.0° |
| C16 | C15 | H2A | H19 | 120.3° | 120.0° |
| C15 | C16 | C17 | H2E | 12.6° | 59.9° |
| C15 | C16 | C17 | H2D | 107.7° | 60.0° |
| C16 | C15 | C14 | H18 | 68.0° | 59.9° |
| C16 | C15 | C14 | H17 | 52.1° | 60.0° |
| C15 | C16 | H2B | H2C | 120.3° | 120.0° |
| C15 | C14 | C13 | H18 | 120.0° | 120.1° |
| C15 | C14 | C13 | H17 | 120.0° | 120.0° |
| C15 | C14 | C13 | C12 | 170.0° | 180.0° |
| C15 | C14 | C13 | H15 | 50.2° | 59.9° |
| C15 | C14 | C13 | H16 | 70.2° | 60.0° |
| C14 | C15 | H2A | H19 | 120.3° | 120.0° |
| C15 | C14 | H18 | H17 | 120.1° | 120.0° |
| C14 | C15 | C16 | H2B | 106.5° | 59.9° |
| C14 | C15 | C16 | H2C | 13.7° | 60.0° |
| O51 | C50 | C44 | O45 | 63.7° | 60.0° |
| O51 | C50 | C44 | C29 | 119.3° | 120.0° |
| O51 | C50 | C44 | H50 | 120.2° | 120.0° |
| O51 | C50 | C44 | C38 | 175.6° | 180.0° |
| O51 | C50 | C29 | H50 | 119.6° | 120.0° |
| O51 | C50 | C29 | O28 | 62.4° | 60.0° |
| O51 | C50 | C29 | C30 | 175.4° | 180.0° |
| O51 | C50 | C29 | H29 | 56.4° | 60.0° |
| O51 | C50 | C44 | H44 | 56.7° | 60.0° |
| O45 | C44 | C50 | C38 | 120.7° | 120.0° |
| O45 | C44 | C50 | H44 | 120.4° | 120.1° |
| O45 | C44 | C38 | H44 | 119.9° | 120.0° |
| O45 | C44 | C50 | C29 | 177.0° | 180.0° |
| O45 | C44 | C38 | O39 | 59.6° | 60.0° |
| O45 | C44 | C38 | C32 | 178.0° | 180.0° |
| O45 | C44 | C38 | H38 | 59.8° | 60.0° |
| O45 | C44 | C50 | H50 | 56.5° | 59.9° |
| O54 | C53 | O52 | C22 | 34.5° | 0.0° |
| O54 | C53 | O52 | C55 | 179.5° | 180.0° |
| O54 | C53 | C55 | C56 | 11.5° | 0.0° |
| O54 | C53 | C55 | H56 | 131.7° | 120.0° |
| O54 | C53 | C55 | H55 | 108.6° | 120.0° |
| O52 | C22 | C23 | H23 | 120.4° | 120.0° |
| C22 | O52 | C53 | C55 | 146.0° | 180.0° |
| O52 | C22 | C23 | O24 | 20.0° | 65.0° |
| O52 | C22 | C21 | H21 | 71.2° | 175.0° |
| O52 | C22 | C21 | H22 | 48.7° | 55.1° |
| O52 | C22 | C23 | H24 | 140.1° | 55.0° |
| O52 | C22 | C23 | H25 | 100.2° | 175.0° |
| C53 | O52 | C22 | C23 | 156.8° | 90.0° |
| O52 | C53 | C55 | C56 | 168.9° | 180.0° |
| C53 | O52 | C22 | H23 | 37.1° | 30.0° |
| O52 | C53 | C55 | H56 | 48.7° | 60.0° |
| O52 | C53 | C55 | H55 | 70.9° | 60.0° |
| C22 | C23 | O24 | H24 | 120.1° | 120.1° |
| C22 | C23 | O24 | H25 | 120.1° | 120.0° |
| C22 | C23 | O24 | P25 | 113.6° | 180.0° |
| C23 | C22 | C21 | H21 | 51.0° | 65.0° |
| C23 | C22 | C21 | H22 | 170.9° | 175.0° |
| C22 | C23 | H24 | H25 | 119.6° | 120.0° |
| C53 | C55 | C56 | H56 | 120.2° | 120.1° |
| C53 | C55 | C56 | H55 | 120.2° | 120.0° |
| C53 | C55 | C56 | C57 | 163.2° | 179.9° |
| C53 | C55 | H56 | H55 | 119.4° | 120.0° |
| C53 | C55 | C56 | H58 | 43.5° | 60.0° |
| C53 | C55 | C56 | H57 | 77.1° | 60.0° |
| C23 | O24 | P25 | O28 | 126.4° | 175.0° |
| C23 | O24 | P25 | O26 | 11.7° | 55.0° |
| C23 | O24 | P25 | O27 | 119.9° | 65.0° |
| O24 | C23 | C22 | H23 | 100.4° | 175.0° |
| O24 | C23 | H24 | H25 | 119.7° | 119.9° |
| O42 | P40 | O39 | O41 | 119.7° | 120.0° |
| O42 | P40 | O39 | O43 | 122.2° | 120.0° |
| O42 | P40 | O41 | O43 | 136.9° | 120.0° |
| O42 | P40 | O39 | C38 | 85.7° | 55.0° |
| O42 | P40 | O41 | H6 | 0.0° | 60.0° |
| O42 | P40 | O43 | H7 | 0.0° | 180.0° |
| C55 | C56 | C57 | H58 | 119.7° | 120.0° |
| C55 | C56 | C57 | H57 | 119.7° | 120.0° |
| C55 | C56 | C57 | C58 | 162.5° | 180.0° |
| C56 | C55 | H56 | H55 | 119.4° | 120.0° |
| C55 | C56 | H58 | H57 | 120.8° | 120.0° |
| C55 | C56 | C57 | H59 | 42.4° | 60.1° |
| C55 | C56 | C57 | H6A | 77.4° | 60.0° |
| O24 | P25 | O28 | C29 | 98.3° | 175.0° |
| O24 | P25 | O28 | O26 | 115.8° | 120.0° |
| O24 | P25 | O28 | O27 | 111.8° | 120.0° |
| O24 | P25 | O26 | O27 | 124.4° | 120.0° |
| P25 | O24 | C23 | H24 | 6.5° | 59.9° |
| P25 | O24 | C23 | H25 | 126.3° | 60.0° |
| O24 | P25 | O27 | H3 | 126.1° | 60.0° |
| C50 | C44 | C38 | H44 | 119.0° | 120.0° |
| C44 | C50 | C29 | H50 | 120.4° | 120.0° |
| C50 | C44 | C38 | O39 | 179.2° | 180.0° |
| C44 | C50 | C29 | O28 | 177.6° | 180.0° |
| C44 | C50 | C29 | C30 | 55.5° | 60.0° |
| C50 | C44 | C38 | C32 | 56.8° | 60.0° |
| C44 | C50 | C29 | H29 | 63.6° | 60.0° |
| C50 | C44 | C38 | H38 | 61.3° | 60.0° |
| C44 | C50 | O51 | H51 | 180.0° | 180.0° |
| C38 | C44 | C50 | C29 | 56.3° | 60.0° |
| C44 | C38 | O39 | P40 | 101.9° | 120.0° |
| C44 | C38 | O39 | C32 | 121.7° | 120.0° |
| C44 | C38 | O39 | H38 | 119.0° | 120.0° |
| C44 | C38 | C32 | H38 | 118.3° | 120.0° |
| C44 | C38 | C32 | C30 | 58.5° | 60.0° |
| C44 | C38 | C32 | O33 | 179.0° | 180.0° |
| C44 | C38 | C32 | H32 | 60.9° | 60.0° |
| C38 | C44 | C50 | H50 | 64.2° | 60.0° |
| C14 | C13 | C12 | H15 | 119.8° | 120.0° |
| C14 | C13 | C12 | H16 | 119.8° | 120.0° |
| C14 | C13 | C12 | C11 | 124.0° | 180.0° |
| C14 | C13 | H15 | H16 | 120.5° | 120.0° |
| C13 | C14 | C15 | H2A | 52.2° | 60.0° |
| C13 | C14 | C15 | H19 | 68.1° | 60.0° |
| C14 | C13 | C12 | H13 | 4.0° | 60.0° |
| C14 | C13 | C12 | H14 | 116.0° | 60.0° |
| C13 | C14 | H18 | H17 | 120.0° | 120.0° |
| C50 | C29 | O28 | C30 | 124.0° | 120.0° |
| C50 | C29 | O28 | H29 | 118.1° | 120.0° |
| C50 | C29 | C30 | H29 | 119.2° | 120.0° |
| C50 | C29 | O28 | P25 | 132.8° | 120.0° |
| C50 | C29 | C30 | C32 | 54.0° | 60.0° |
| C50 | C29 | C30 | O31 | 69.6° | 60.0° |
| C50 | C29 | C30 | H30 | 170.2° | 180.0° |
| C29 | C50 | C44 | H44 | 62.6° | 60.0° |
| C29 | C50 | O51 | H51 | 58.3° | 60.0° |
| C56 | C57 | C58 | H59 | 120.1° | 119.9° |
| C56 | C57 | C58 | H6A | 120.1° | 120.1° |
| C56 | C57 | C58 | C59 | 169.4° | 180.0° |
| C57 | C56 | C55 | H56 | 76.6° | 60.0° |
| C57 | C56 | C55 | H55 | 43.0° | 60.0° |
| C57 | C56 | H58 | H57 | 120.9° | 120.0° |
| C56 | C57 | H59 | H6A | 119.7° | 120.0° |
| C56 | C57 | C58 | H6B | 70.7° | 60.1° |
| C56 | C57 | C58 | H6C | 49.5° | 59.9° |
| C13 | C12 | C11 | H13 | 120.1° | 120.0° |
| C13 | C12 | C11 | H14 | 120.0° | 120.0° |
| C13 | C12 | C11 | C10 | 75.6° | 180.0° |
| C12 | C13 | H15 | H16 | 120.6° | 120.0° |
| C13 | C12 | C11 | H12 | 44.5° | 60.0° |
| C13 | C12 | C11 | H11 | 164.2° | 60.0° |
| C13 | C12 | H13 | H14 | 119.9° | 120.0° |
| C12 | C13 | C14 | H18 | 70.0° | 60.0° |
| C12 | C13 | C14 | H17 | 50.0° | 60.0° |
| C57 | C58 | C59 | H6B | 119.9° | 119.9° |
| C57 | C58 | C59 | H6C | 119.9° | 120.1° |
| C57 | C58 | C59 | C60 | 154.4° | 180.0° |
| C58 | C57 | C56 | H58 | 77.8° | 60.1° |
| C58 | C57 | C56 | H57 | 42.8° | 59.9° |
| C58 | C57 | H59 | H6A | 119.8° | 120.0° |
| C57 | C58 | H6B | H6C | 120.4° | 120.0° |
| C57 | C58 | C59 | H6E | 34.4° | 60.0° |
| C57 | C58 | C59 | H6D | 85.6° | 60.0° |
| O39 | P40 | O41 | O43 | 111.2° | 120.0° |
| P40 | O39 | C38 | C32 | 136.4° | 120.0° |
| P40 | O39 | C38 | H38 | 17.1° | 0.0° |
| O39 | P40 | O41 | H6 | 111.9° | 179.9° |
| O39 | P40 | O43 | H7 | 113.7° | 60.0° |
| O41 | P40 | O39 | C38 | 34.0° | 175.0° |
| O41 | P40 | O43 | H7 | 136.1° | 60.1° |
| O43 | P40 | O39 | C38 | 152.1° | 65.0° |
| O43 | P40 | O41 | H6 | 136.9° | 60.0° |
| O39 | C38 | C32 | H38 | 119.9° | 120.0° |
| O39 | C38 | C32 | C30 | 179.7° | 180.0° |
| O39 | C38 | C32 | O33 | 59.2° | 60.0° |
| O39 | C38 | C32 | H32 | 61.0° | 59.9° |
| O39 | C38 | C44 | H44 | 60.3° | 60.0° |
| O28 | C29 | C30 | H29 | 118.8° | 120.0° |
| C29 | O28 | P25 | O26 | 17.5° | 55.1° |
| C29 | O28 | P25 | O27 | 149.9° | 65.0° |
| O28 | C29 | C30 | C32 | 176.0° | 180.0° |
| O28 | C29 | C30 | O31 | 52.5° | 60.0° |
| O28 | C29 | C30 | H30 | 67.8° | 60.0° |
| O28 | C29 | C50 | H50 | 57.2° | 60.0° |
| C30 | C29 | O28 | P25 | 103.3° | 119.9° |
| C29 | C30 | C32 | C38 | 55.7° | 60.0° |
| C29 | C30 | C32 | O31 | 125.7° | 120.0° |
| C29 | C30 | C32 | H30 | 116.1° | 120.0° |
| C29 | C30 | C32 | O33 | 178.7° | 180.0° |
| C29 | C30 | O31 | H30 | 119.5° | 120.0° |
| C29 | C30 | C32 | H32 | 63.4° | 60.0° |
| C30 | C29 | C50 | H50 | 64.9° | 60.0° |
| C29 | C30 | O31 | H31 | 180.0° | 60.0° |
| O28 | P25 | O26 | O27 | 126.4° | 120.0° |
| P25 | O28 | C29 | H29 | 14.7° | 0.0° |
| O28 | P25 | O27 | H3 | 126.3° | 60.0° |
| C38 | C32 | C30 | O33 | 123.0° | 119.9° |
| C38 | C32 | C30 | H32 | 119.1° | 120.1° |
| C38 | C32 | O33 | H32 | 119.3° | 120.0° |
| C38 | C32 | C30 | O31 | 70.1° | 60.0° |
| C38 | C32 | O33 | P34 | 97.8° | 120.0° |
| C38 | C32 | C30 | H30 | 171.8° | 180.0° |
| C32 | C38 | C44 | H44 | 62.1° | 60.0° |
| O26 | P25 | O27 | H3 | 0.0° | 180.0° |
| C58 | C59 | C60 | H6E | 120.0° | 120.0° |
| C58 | C59 | C60 | H6D | 120.0° | 120.0° |
| C58 | C59 | C60 | C61 | 97.2° | 180.0° |
| C59 | C58 | C57 | H59 | 49.3° | 60.0° |
| C59 | C58 | C57 | H6A | 70.5° | 60.0° |
| C59 | C58 | H6B | H6C | 120.4° | 120.0° |
| C58 | C59 | H6E | H6D | 120.1° | 120.0° |
| C58 | C59 | C60 | H60 | 142.9° | 60.0° |
| C58 | C59 | C60 | H61 | 22.8° | 60.0° |
| C12 | C11 | C10 | H12 | 120.1° | 120.0° |
| C12 | C11 | C10 | H11 | 120.1° | 120.0° |
| C12 | C11 | C10 | C09 | 162.8° | 125.0° |
| C12 | C11 | C10 | H10 | 17.2° | 54.7° |
| C11 | C12 | C13 | H15 | 116.2° | 60.0° |
| C11 | C12 | C13 | H16 | 4.2° | 60.0° |
| C12 | C11 | H12 | H11 | 119.6° | 120.0° |
| C11 | C12 | H13 | H14 | 119.9° | 120.0° |
| C59 | C60 | C61 | H60 | 120.0° | 120.0° |
| C59 | C60 | C61 | H61 | 120.0° | 120.0° |
| C59 | C60 | C61 | C62 | 140.9° | 180.0° |
| C60 | C59 | C58 | H6B | 85.7° | 60.0° |
| C60 | C59 | C58 | H6C | 34.5° | 60.0° |
| C60 | C59 | H6E | H6D | 120.1° | 120.0° |
| C59 | C60 | H60 | H61 | 120.2° | 120.0° |
| C59 | C60 | C61 | H63 | 21.0° | 60.1° |
| C59 | C60 | C61 | H62 | 99.2° | 59.9° |
| C11 | C10 | C09 | H10 | 180.0° | 179.7° |
| C11 | C10 | C09 | C08 | 178.5° | 180.0° |
| C11 | C10 | C09 | H1I | 1.4° | 0.0° |
| C10 | C11 | H12 | H11 | 119.6° | 120.0° |
| C10 | C11 | C12 | H13 | 164.3° | 60.0° |
| C10 | C11 | C12 | H14 | 44.4° | 60.0° |
| C10 | C09 | C08 | H1I | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 136.7° | 125.0° |
| C10 | C09 | C08 | H1H | 16.6° | 5.0° |
| C10 | C09 | C08 | H1G | 103.2° | 115.0° |
| C09 | C10 | C11 | H12 | 77.0° | 115.0° |
| C09 | C10 | C11 | H11 | 42.7° | 5.0° |
| C30 | C32 | O33 | H32 | 117.1° | 120.0° |
| C32 | C30 | O31 | H30 | 117.5° | 120.0° |
| C30 | C32 | O33 | P34 | 138.6° | 120.0° |
| C32 | C30 | C29 | H29 | 65.2° | 60.0° |
| C30 | C32 | C38 | H38 | 59.8° | 60.0° |
| C32 | C30 | O31 | H31 | 57.1° | 180.0° |
| O33 | C32 | C30 | O31 | 53.0° | 60.0° |
| C32 | O33 | P34 | O37 | 4.1° | 55.0° |
| C32 | O33 | P34 | O35 | 122.5° | 175.0° |
| C32 | O33 | P34 | O36 | 118.1° | 65.0° |
| O33 | C32 | C30 | H30 | 65.2° | 60.0° |
| O33 | C32 | C38 | H38 | 60.7° | 60.0° |
| O31 | C30 | C29 | H29 | 171.2° | 180.0° |
| O31 | C30 | C32 | H32 | 170.8° | 180.0° |
| C09 | C08 | C07 | H1H | 120.1° | 120.0° |
| C09 | C08 | C07 | H1G | 120.1° | 120.0° |
| C09 | C08 | C07 | C06 | 97.1° | 180.0° |
| C08 | C09 | C10 | H10 | 1.5° | 0.3° |
| C09 | C08 | C07 | H1F | 142.9° | 60.0° |
| C09 | C08 | C07 | H1E | 23.0° | 60.0° |
| C09 | C08 | H1H | H1G | 119.7° | 120.0° |
| C08 | C07 | C06 | H1F | 120.0° | 120.0° |
| C08 | C07 | C06 | H1E | 120.1° | 120.0° |
| C08 | C07 | C06 | C05 | 172.8° | 180.0° |
| C08 | C07 | C06 | H1D | 52.6° | 60.0° |
| C08 | C07 | C06 | H1C | 67.0° | 60.0° |
| C08 | C07 | H1F | H1E | 119.8° | 120.0° |
| C07 | C08 | H1H | H1G | 119.7° | 120.0° |
| C07 | C08 | C09 | H1I | 43.3° | 55.0° |
| O37 | P34 | O33 | O35 | 118.4° | 120.0° |
| O37 | P34 | O33 | O36 | 122.2° | 120.0° |
| O37 | P34 | O35 | O36 | 139.0° | 120.0° |
| O37 | P34 | O35 | H4 | 0.0° | 60.0° |
| O37 | P34 | O36 | H5 | 0.0° | 180.0° |
| C60 | C61 | C62 | H63 | 119.9° | 119.9° |
| C60 | C61 | C62 | H62 | 119.9° | 120.1° |
| C60 | C61 | C62 | C63 | 89.2° | 124.9° |
| C61 | C60 | C59 | H6E | 22.8° | 60.0° |
| C61 | C60 | C59 | H6D | 142.8° | 60.0° |
| C61 | C60 | H60 | H61 | 120.1° | 120.0° |
| C60 | C61 | H63 | H62 | 120.4° | 120.1° |
| C60 | C61 | C62 | H64 | 90.8° | 55.1° |
| O33 | P34 | O35 | O36 | 111.7° | 120.0° |
| P34 | O33 | C32 | H32 | 21.5° | 0.0° |
| O33 | P34 | O35 | H4 | 109.3° | 180.0° |
| O33 | P34 | O36 | H5 | 113.1° | 59.9° |
| O35 | P34 | O36 | H5 | 138.3° | 60.1° |
| O36 | P34 | O35 | H4 | 138.9° | 60.0° |
| C07 | C06 | C05 | H1D | 120.2° | 120.1° |
| C07 | C06 | C05 | H1C | 120.2° | 120.0° |
| C07 | C06 | C05 | H1B | 106.8° | 59.9° |
| C07 | C06 | H1D | H1C | 119.4° | 120.1° |
| C06 | C07 | H1F | H1E | 119.8° | 120.1° |
| C06 | C07 | C08 | H1H | 23.0° | 60.0° |
| C06 | C07 | C08 | H1G | 142.8° | 60.0° |
| C07 | C06 | C05 | C3 | 14.5° | 180.0° |
| C07 | C06 | C05 | H1 | 135.9° | 60.0° |
| C61 | C62 | C63 | H64 | 180.0° | 180.0° |
| C61 | C62 | C63 | C64 | 178.7° | 179.9° |
| C62 | C61 | C60 | H60 | 99.1° | 60.1° |
| C62 | C61 | C60 | H61 | 20.9° | 59.9° |
| C62 | C61 | H63 | H62 | 120.4° | 120.0° |
| C61 | C62 | C63 | H65 | 1.3° | 0.0° |
| C06 | C05 | H1B | C3 | 128.4° | 120.1° |
| C06 | C05 | H1B | H1 | 115.8° | 119.9° |
| C05 | C06 | H1D | H1C | 119.4° | 119.9° |
| C05 | C06 | C07 | H1F | 67.2° | 60.0° |
| C05 | C06 | C07 | H1E | 52.7° | 60.0° |
| C06 | C05 | C3 | H1 | 121.3° | 120.0° |
| C06 | C05 | C3 | C4 | 90.0° | 180.0° |
| C06 | C05 | C3 | H33 | 90.0° | 60.0° |
| C06 | C05 | C3 | H34 | 90.0° | 59.9° |
| C62 | C63 | C64 | H65 | 180.0° | 179.9° |
| C62 | C63 | C64 | C65 | 153.3° | 125.0° |
| C63 | C62 | C61 | H63 | 30.7° | 5.0° |
| C63 | C62 | C61 | H62 | 150.9° | 114.9° |
| C62 | C63 | C64 | H66 | 86.8° | 115.0° |
| C62 | C63 | C64 | H67 | 33.3° | 5.1° |
| C63 | C64 | C65 | C66 | 111.6° | 180.0° |
| C63 | C64 | C65 | H66 | 119.9° | 120.0° |
| C63 | C64 | C65 | H67 | 119.9° | 119.9° |
| C64 | C63 | C62 | H64 | 1.3° | 0.0° |
| C63 | C64 | H66 | H67 | 120.2° | 120.0° |
| C63 | C64 | C65 | H69 | 128.2° | 60.0° |
| C63 | C64 | C65 | H68 | 8.6° | 60.0° |
| C65 | C66 | C67 | H7A | 120.1° | 120.0° |
| C65 | C66 | C67 | H7B | 120.1° | 120.0° |
| C66 | C65 | C64 | H69 | 120.1° | 120.0° |
| C66 | C65 | C64 | H68 | 120.2° | 120.0° |
| C65 | C66 | C67 | C68 | 84.7° | 180.0° |
| C66 | C65 | C64 | H66 | 128.5° | 60.0° |
| C66 | C65 | C64 | H67 | 8.3° | 60.1° |
| C66 | C65 | H69 | H68 | 119.6° | 120.0° |
| C65 | C66 | H7A | H7B | 119.7° | 120.0° |
| C65 | C66 | C67 | H7C | 155.2° | 60.0° |
| C65 | C66 | C67 | H7D | 35.4° | 60.0° |
| C67 | C66 | C65 | C64 | 133.9° | 180.0° |
| C66 | C67 | C68 | H7C | 120.1° | 120.0° |
| C66 | C67 | C68 | H7D | 120.1° | 120.0° |
| C66 | C67 | C68 | C69 | 49.2° | 180.0° |
| C67 | C66 | C65 | H69 | 13.8° | 60.0° |
| C67 | C66 | C65 | H68 | 105.9° | 60.0° |
| C67 | C66 | H7A | H7B | 119.7° | 120.0° |
| C66 | C67 | H7C | H7D | 119.7° | 120.0° |
| C66 | C67 | C68 | H7F | 169.4° | 60.0° |
| C66 | C67 | C68 | H7E | 71.0° | 60.0° |
| C65 | C64 | C63 | H65 | 26.7° | 55.1° |
| C65 | C64 | H66 | H67 | 120.2° | 120.0° |
| C64 | C65 | H69 | H68 | 119.5° | 120.0° |
| C64 | C65 | C66 | H7A | 13.8° | 60.0° |
| C64 | C65 | C66 | H7B | 106.0° | 60.0° |
| C67 | C68 | C69 | H7F | 120.2° | 119.9° |
| C67 | C68 | C69 | H7E | 120.2° | 120.1° |
| C68 | C67 | C66 | H7A | 35.4° | 60.0° |
| C68 | C67 | C66 | H7B | 155.2° | 59.9° |
| C68 | C67 | H7C | H7D | 119.6° | 120.0° |
| C67 | C68 | H7F | H7E | 119.3° | 120.0° |
| C67 | C68 | C69 | H7G | 138.8° | 60.1° |
| C67 | C68 | C69 | H7H | 26.2° | 59.9° |
| C67 | C68 | C69 | C1 | 97.5° | 180.0° |
| C69 | C68 | C67 | H7C | 70.9° | 60.0° |
| C69 | C68 | C67 | H7D | 169.3° | 60.0° |
| C69 | C68 | H7F | H7E | 119.3° | 120.0° |
| C68 | C69 | H7G | H7H | 106.0° | 120.0° |
| C68 | C69 | H7G | C1 | 148.1° | 120.0° |
| C68 | C69 | H7H | C1 | 148.1° | 120.0° |
| C68 | C69 | C1 | C2 | 90.0° | 180.0° |
| C68 | C69 | C1 | H2 | 90.0° | 60.0° |
| C68 | C69 | C1 | H20 | 90.0° | 60.0° |
| H10 | C10 | C09 | H1I | 178.6° | 179.7° |
| H10 | C10 | C11 | H12 | 103.0° | 65.3° |
| H10 | C10 | C11 | H11 | 137.3° | 174.7° |
| H15 | C13 | C12 | H13 | 123.8° | 60.1° |
| H15 | C13 | C12 | H14 | 3.9° | 180.0° |
| H15 | C13 | C14 | H18 | 170.2° | NaN° |
| H15 | C13 | C14 | H17 | 69.8° | 60.1° |
| H16 | C13 | C12 | H13 | 115.8° | NaN° |
| H16 | C13 | C12 | H14 | 124.3° | 60.1° |
| H16 | C13 | C14 | H18 | 49.8° | 60.1° |
| H16 | C13 | C14 | H17 | 169.8° | NaN° |
| H2A | C15 | C14 | H18 | 172.1° | 180.0° |
| H2A | C15 | C14 | H17 | 67.8° | 60.0° |
| H2A | C15 | C16 | H2B | 133.6° | 180.0° |
| H2A | C15 | C16 | H2C | 106.2° | 60.1° |
| H19 | C15 | C14 | H18 | 51.9° | 60.0° |
| H19 | C15 | C14 | H17 | 172.0° | 180.0° |
| H19 | C15 | C16 | H2B | 13.4° | 60.0° |
| H19 | C15 | C16 | H2C | 133.6° | 180.0° |
| H2E | C17 | C16 | H2B | 132.5° | 180.0° |
| H2E | C17 | C16 | H2C | 107.3° | 60.0° |
| H2D | C17 | C16 | H2B | 12.2° | 60.0° |
| H2D | C17 | C16 | H2C | 132.4° | 180.0° |
| H21 | C21 | C22 | H23 | 167.7° | 55.0° |
| H22 | C21 | C22 | H23 | 72.4° | 65.0° |
| H23 | C22 | C23 | H24 | 19.7° | 65.0° |
| H23 | C22 | C23 | H25 | 139.4° | 55.0° |
| H1B | C05 | C06 | H1D | 13.4° | 180.0° |
| H1B | C05 | C06 | H1C | 133.0° | 60.1° |
| H1B | C05 | C3 | H1 | 117.3° | 120.0° |
| H1B | C05 | C3 | C4 | 90.0° | 60.0° |
| H1B | C05 | C3 | H33 | 90.0° | 60.0° |
| H1B | C05 | C3 | H34 | 90.0° | 180.0° |
| H1D | C06 | C07 | H1F | 172.6° | 180.0° |
| H1D | C06 | C07 | H1E | 67.5° | 60.0° |
| H1D | C06 | C05 | C3 | 134.7° | 59.9° |
| H1D | C06 | C05 | H1 | 104.0° | 60.1° |
| H1C | C06 | C07 | H1F | 53.0° | 60.0° |
| H1C | C06 | C07 | H1E | 172.9° | 180.0° |
| H1C | C06 | C05 | C3 | 105.7° | 60.0° |
| H1C | C06 | C05 | H1 | 15.7° | 180.0° |
| H1F | C07 | C08 | H1H | 97.0° | 180.0° |
| H1F | C07 | C08 | H1G | 22.8° | 59.9° |
| H1E | C07 | C08 | H1H | 143.1° | 60.0° |
| H1E | C07 | C08 | H1G | 97.1° | 180.0° |
| H1H | C08 | C09 | H1I | 163.4° | 175.0° |
| H1G | C08 | C09 | H1I | 76.8° | 65.0° |
| H12 | C11 | C12 | H13 | 75.6° | 60.0° |
| H12 | C11 | C12 | H14 | 164.5° | 180.0° |
| H11 | C11 | C12 | H13 | 44.2° | NaN° |
| H11 | C11 | C12 | H14 | 75.8° | 60.1° |
| H29 | C29 | C30 | H30 | 51.0° | 60.0° |
| H29 | C29 | C50 | H50 | 176.0° | 180.0° |
| H30 | C30 | C32 | H32 | 52.7° | 60.0° |
| H30 | C30 | O31 | H31 | 60.5° | 60.0° |
| H32 | C32 | C38 | H38 | 179.2° | 180.0° |
| H38 | C38 | C44 | H44 | 179.7° | 180.0° |
| H44 | C44 | C50 | H50 | 176.9° | 180.0° |
| H50 | C50 | O51 | H51 | 60.6° | 60.0° |
| H56 | C55 | C56 | H58 | 163.7° | 180.0° |
| H56 | C55 | C56 | H57 | 43.1° | 60.0° |
| H55 | C55 | C56 | H58 | 76.7° | 60.0° |
| H55 | C55 | C56 | H57 | 162.8° | 180.0° |
| H58 | C56 | C57 | H59 | 162.1° | 180.0° |
| H58 | C56 | C57 | H6A | 42.3° | 60.0° |
| H57 | C56 | C57 | H59 | 77.3° | 60.0° |
| H57 | C56 | C57 | H6A | 162.9° | 180.0° |
| H59 | C57 | C58 | H6B | 169.2° | 180.0° |
| H59 | C57 | C58 | H6C | 70.6° | 60.0° |
| H6A | C57 | C58 | H6B | 49.4° | 60.0° |
| H6A | C57 | C58 | H6C | 169.6° | 180.0° |
| H6B | C58 | C59 | H6E | 154.3° | 179.9° |
| H6B | C58 | C59 | H6D | 34.2° | 59.9° |
| H6C | C58 | C59 | H6E | 85.5° | 60.0° |
| H6C | C58 | C59 | H6D | 154.5° | 180.0° |
| H6E | C59 | C60 | H60 | 97.1° | 180.0° |
| H6E | C59 | C60 | H61 | 142.8° | 60.0° |
| H6D | C59 | C60 | H60 | 22.9° | 60.0° |
| H6D | C59 | C60 | H61 | 97.2° | 180.0° |
| H60 | C60 | C61 | H63 | 141.0° | 180.0° |
| H60 | C60 | C61 | H62 | 20.7° | 60.0° |
| H61 | C60 | C61 | H63 | 98.9° | 60.0° |
| H61 | C60 | C61 | H62 | 140.8° | 180.0° |
| H63 | C61 | C62 | H64 | 149.4° | 175.0° |
| H62 | C61 | C62 | H64 | 29.1° | 65.0° |
| H64 | C62 | C63 | H65 | 178.7° | 180.0° |
| H65 | C63 | C64 | H66 | 93.2° | 64.9° |
| H65 | C63 | C64 | H67 | 146.7° | 175.0° |
| H66 | C64 | C65 | H69 | 8.3° | 180.0° |
| H66 | C64 | C65 | H68 | 111.4° | 60.0° |
| H67 | C64 | C65 | H69 | 111.8° | 59.9° |
| H67 | C64 | C65 | H68 | 128.5° | 180.0° |
| H69 | C65 | C66 | H7A | 106.3° | 180.0° |
| H69 | C65 | C66 | H7B | 133.9° | 60.0° |
| H68 | C65 | C66 | H7A | 134.0° | 60.0° |
| H68 | C65 | C66 | H7B | 14.1° | 180.0° |
| H7A | C66 | C67 | H7C | 84.8° | 180.0° |
| H7A | C66 | C67 | H7D | 155.5° | 60.1° |
| H7B | C66 | C67 | H7C | 35.1° | 60.0° |
| H7B | C66 | C67 | H7D | 84.7° | 180.0° |
| H7C | C67 | C68 | H7F | 49.3° | 180.0° |
| H7C | C67 | C68 | H7E | 168.9° | 60.0° |
| H7D | C67 | C68 | H7F | 70.5° | 60.0° |
| H7D | C67 | C68 | H7E | 49.1° | 180.0° |
| H7F | C68 | C69 | H7G | 101.0° | 180.0° |
| H7F | C68 | C69 | H7H | 146.4° | 60.0° |
| H7F | C68 | C69 | C1 | 22.7° | 60.0° |
| H7E | C68 | C69 | H7G | 18.5° | 60.0° |
| H7E | C68 | C69 | H7H | 94.1° | 180.0° |
| H7E | C68 | C69 | C1 | 142.3° | 60.0° |
| H7G | C69 | H7H | C1 | 105.9° | 120.0° |
| H7G | C69 | C1 | C2 | 90.0° | 60.0° |
| H7G | C69 | C1 | H2 | 90.0° | 179.9° |
| H7G | C69 | C1 | H20 | 90.0° | 60.0° |
| H7H | C69 | C1 | C2 | 90.0° | 60.0° |
| H7H | C69 | C1 | H2 | 90.0° | 60.0° |
| H7H | C69 | C1 | H20 | 90.0° | 180.0° |
| C69 | C1 | C2 | H2 | 90.0° | 120.0° |
| C69 | C1 | C2 | H20 | 90.0° | 120.0° |
| C69 | C1 | H2 | H20 | 90.0° | 120.0° |
| C69 | C1 | C2 | H26 | 90.0° | 180.0° |
| C69 | C1 | C2 | H27 | 90.0° | 59.9° |
| C69 | C1 | C2 | H28 | 90.0° | 60.0° |
| C2 | C1 | H2 | H20 | 90.0° | 119.9° |
| C1 | C2 | H26 | H27 | 90.0° | 120.0° |
| C1 | C2 | H26 | H28 | 90.0° | 120.0° |
| C1 | C2 | H27 | H28 | 90.0° | 119.9° |
| C05 | C3 | C4 | H33 | 90.0° | 119.9° |
| C05 | C3 | C4 | H34 | 90.0° | 120.1° |
| C05 | C3 | C4 | C5 | 90.0° | 180.0° |
| C05 | C3 | H33 | H34 | 90.0° | 120.0° |
| C05 | C3 | C4 | H35 | 90.0° | 60.1° |
| C05 | C3 | C4 | H36 | 90.0° | 60.0° |
| C3 | C4 | C5 | H35 | 90.0° | 120.0° |
| C3 | C4 | C5 | H36 | 90.0° | 120.0° |
| C3 | C4 | C5 | C6 | 90.0° | 180.0° |
| C4 | C3 | C05 | H1 | 90.0° | 60.0° |
| C4 | C3 | H33 | H34 | 90.0° | 120.1° |
| C3 | C4 | H35 | H36 | 90.0° | 120.0° |
| C3 | C4 | C5 | H37 | 90.0° | 60.0° |
| C3 | C4 | C5 | H39 | 90.0° | 60.0° |
| C4 | C5 | C6 | H37 | 90.0° | 120.0° |
| C4 | C5 | C6 | H39 | 90.0° | 119.9° |
| C5 | C4 | C3 | H33 | 90.0° | 60.0° |
| C5 | C4 | C3 | H34 | 90.0° | 60.0° |
| C5 | C4 | H35 | H36 | 90.0° | 120.0° |
| C4 | C5 | H37 | H39 | 90.0° | 119.9° |
| C4 | C5 | C6 | H40 | 90.0° | 59.9° |
| C4 | C5 | C6 | H41 | 90.0° | 60.1° |
| C4 | C5 | C6 | H42 | 90.0° | 180.0° |
| C6 | C5 | C4 | H35 | 90.0° | 60.0° |
| C6 | C5 | C4 | H36 | 90.0° | 60.1° |
| C6 | C5 | H37 | H39 | 90.0° | 120.1° |
| C5 | C6 | H40 | H41 | 90.0° | 120.0° |
| C5 | C6 | H40 | H42 | 90.0° | 120.0° |
| C5 | C6 | H41 | H42 | 90.0° | 120.0° |
| H1 | C05 | C3 | H33 | 90.0° | 180.0° |
| H1 | C05 | C3 | H34 | 90.0° | 60.0° |
| H2 | C1 | C2 | H26 | 90.0° | 60.0° |
| H2 | C1 | C2 | H27 | 90.0° | 180.0° |
| H2 | C1 | C2 | H28 | 90.0° | 60.0° |
| H20 | C1 | C2 | H26 | 90.0° | 60.0° |
| H20 | C1 | C2 | H27 | 90.0° | 60.0° |
| H20 | C1 | C2 | H28 | 90.0° | 180.0° |
| H26 | C2 | H27 | H28 | 90.0° | 120.0° |
| H33 | C3 | C4 | H35 | 90.0° | 180.0° |
| H33 | C3 | C4 | H36 | 90.0° | 59.9° |
| H34 | C3 | C4 | H35 | 90.0° | 60.0° |
| H34 | C3 | C4 | H36 | 90.0° | 179.9° |
| H35 | C4 | C5 | H37 | 90.0° | 180.0° |
| H35 | C4 | C5 | H39 | 90.0° | 60.0° |
| H36 | C4 | C5 | H37 | 90.0° | 60.0° |
| H36 | C4 | C5 | H39 | 90.0° | 180.0° |
| H37 | C5 | C6 | H40 | 90.0° | 180.0° |
| H37 | C5 | C6 | H41 | 90.0° | 59.9° |
| H37 | C5 | C6 | H42 | 90.0° | 60.0° |
| H39 | C5 | C6 | H40 | 90.0° | 60.0° |
| H39 | C5 | C6 | H41 | 90.0° | 180.0° |
| H39 | C5 | C6 | H42 | 90.0° | 60.1° |
| H40 | C6 | H41 | H42 | 90.0° | 120.0° |
