QSR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C14 | doub | 1.21Å | 1.23Å | |
| P1 | O5 | sing | 1.61Å | 1.61Å | |
| P1 | O6 | doub | 1.48Å | 1.51Å | |
| P1 | O7 | sing | 1.61Å | 1.52Å | |
| P1 | O8 | sing | 1.61Å | 1.61Å | |
| O2 | C14 | sing | 1.34Å | 1.47Å | |
| O2 | C15 | sing | 1.45Å | 1.42Å | |
| P2 | O10 | sing | 1.61Å | 1.63Å | |
| P2 | O11 | doub | 1.48Å | 1.51Å | |
| P2 | O12 | sing | 1.61Å | 1.52Å | |
| P2 | O13 | sing | 1.61Å | 1.63Å | |
| O3 | C16 | sing | 1.45Å | 1.44Å | |
| O3 | C17 | sing | 1.34Å | 1.46Å | |
| O4 | C17 | doub | 1.21Å | 1.22Å | |
| O5 | C28 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | C57 | sing | 1.51Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| O8 | C29 | sing | 1.43Å | 1.43Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| O9 | C30 | sing | 1.43Å | 1.41Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C01 | C44 | sing | 1.51Å | 1.54Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| C09 | C23 | sing | 1.53Å | 1.54Å | |
| C09 | C55 | sing | 1.51Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| O10 | C31 | sing | 1.43Å | 1.45Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.51Å | 1.57Å | |
| O13 | C32 | sing | 1.43Å | 1.44Å | |
| O14 | C34 | sing | 1.45Å | 1.45Å | |
| O14 | C35 | sing | 1.34Å | 1.45Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C15 | C28 | sing | 1.53Å | 1.51Å | |
| O15 | C35 | doub | 1.21Å | 1.23Å | |
| O16 | C33 | sing | 1.45Å | 1.44Å | |
| O16 | C46 | sing | 1.34Å | 1.43Å | |
| C17 | C18 | sing | 1.51Å | 1.57Å | |
| O17 | C46 | doub | 1.21Å | 1.22Å | |
| C18 | C19 | sing | 1.53Å | 1.57Å | |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | C67 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C27 | C45 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.56Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.51Å | 1.56Å | |
| C36 | C37 | sing | 1.53Å | 1.58Å | |
| C37 | C38 | sing | 1.53Å | 1.57Å | |
| C38 | C39 | sing | 1.53Å | 1.56Å | |
| C39 | C40 | sing | 1.53Å | 1.57Å | |
| C40 | C41 | sing | 1.53Å | 1.56Å | |
| C41 | C42 | sing | 1.53Å | 1.58Å | |
| C42 | C43 | sing | 1.51Å | 1.56Å | |
| C43 | C44 | doub | 1.31Å | 1.58Å | |
| C45 | C56 | sing | 1.53Å | 1.54Å | |
| C46 | C47 | sing | 1.51Å | 1.53Å | |
| C47 | C48 | sing | 1.53Å | 1.54Å | |
| C48 | C49 | sing | 1.53Å | 1.55Å | |
| C49 | C50 | sing | 1.53Å | 1.56Å | |
| C50 | C51 | sing | 1.53Å | 1.56Å | |
| C51 | C52 | sing | 1.53Å | 1.57Å | |
| C52 | C53 | sing | 1.53Å | 1.57Å | |
| C53 | C54 | sing | 1.51Å | 1.58Å | |
| C54 | C55 | doub | 1.31Å | 1.55Å | |
| C57 | C58 | doub | 1.31Å | 1.54Å | |
| C58 | C59 | sing | 1.51Å | 1.54Å | |
| C59 | C60 | sing | 1.53Å | 1.54Å | |
| C60 | C61 | sing | 1.53Å | 1.54Å | |
| C61 | C62 | sing | 1.53Å | 1.54Å | |
| C62 | C63 | sing | 1.53Å | 1.54Å | |
| C63 | C64 | sing | 1.53Å | 1.54Å | |
| C64 | C65 | sing | 1.53Å | 1.54Å | |
| C65 | C66 | sing | 1.53Å | 1.54Å | |
| C67 | C68 | sing | 1.53Å | 1.54Å | |
| C68 | C69 | sing | 1.51Å | 1.54Å | |
| C69 | C70 | doub | 1.31Å | 1.54Å | |
| C70 | C71 | sing | 1.51Å | 1.54Å | |
| C71 | C72 | sing | 1.53Å | 1.54Å | |
| C72 | C73 | sing | 1.53Å | 1.54Å | |
| C73 | C74 | sing | 1.53Å | 1.54Å | |
| C74 | C75 | sing | 1.53Å | 1.54Å | |
| C75 | C76 | sing | 1.53Å | 1.54Å | |
| C76 | C77 | sing | 1.53Å | 1.54Å | |
| C77 | C78 | sing | 1.53Å | 1.54Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C02 | H02A | sing | 1.09Å | 1.10Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| C03 | H03A | sing | 1.09Å | 1.10Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H04A | sing | 1.09Å | 1.10Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C05 | H05A | sing | 1.09Å | 1.10Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| C06 | H06A | sing | 1.09Å | 1.10Å | |
| C07 | H07 | sing | 1.09Å | 1.10Å | |
| C07 | H07A | sing | 1.09Å | 1.10Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C08 | H08A | sing | 1.09Å | 1.10Å | |
| C08 | H08B | sing | 1.09Å | 1.10Å | |
| C09 | H09 | sing | 1.09Å | 1.10Å | |
| C09 | H09A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H51A | sing | 1.09Å | 1.10Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C52 | H52A | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C53 | H53A | sing | 1.09Å | 1.10Å | |
| C54 | H54 | sing | 1.08Å | 1.08Å | |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C56 | H56 | sing | 1.09Å | 1.10Å | |
| C56 | H56A | sing | 1.09Å | 1.10Å | |
| C56 | H56B | sing | 1.09Å | 1.10Å | |
| C57 | H57 | sing | 1.08Å | 1.08Å | |
| C58 | H58 | sing | 1.08Å | 1.08Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| C59 | H59A | sing | 1.09Å | 1.10Å | |
| C60 | H60 | sing | 1.09Å | 1.10Å | |
| C60 | H60A | sing | 1.09Å | 1.10Å | |
| C61 | H61 | sing | 1.09Å | 1.10Å | |
| C61 | H61A | sing | 1.09Å | 1.10Å | |
| C62 | H62 | sing | 1.09Å | 1.10Å | |
| C62 | H62A | sing | 1.09Å | 1.10Å | |
| C63 | H63 | sing | 1.09Å | 1.10Å | |
| C63 | H63A | sing | 1.09Å | 1.10Å | |
| C64 | H64 | sing | 1.09Å | 1.10Å | |
| C64 | H64A | sing | 1.09Å | 1.10Å | |
| C65 | H65 | sing | 1.09Å | 1.10Å | |
| C65 | H65A | sing | 1.09Å | 1.10Å | |
| C66 | H66 | sing | 1.09Å | 1.10Å | |
| C66 | H66A | sing | 1.09Å | 1.10Å | |
| C66 | H66B | sing | 1.09Å | 1.10Å | |
| C67 | H67 | sing | 1.09Å | 1.10Å | |
| C67 | H67A | sing | 1.09Å | 1.10Å | |
| C68 | H68 | sing | 1.09Å | 1.10Å | |
| C68 | H68A | sing | 1.09Å | 1.10Å | |
| C69 | H69 | sing | 1.08Å | 1.08Å | |
| C70 | H70 | sing | 1.08Å | 1.08Å | |
| C71 | H71 | sing | 1.09Å | 1.10Å | |
| C71 | H71A | sing | 1.09Å | 1.10Å | |
| C72 | H72 | sing | 1.09Å | 1.10Å | |
| C72 | H72A | sing | 1.09Å | 1.10Å | |
| C73 | H73 | sing | 1.09Å | 1.10Å | |
| C73 | H73A | sing | 1.09Å | 1.10Å | |
| C74 | H74 | sing | 1.09Å | 1.10Å | |
| C74 | H74A | sing | 1.09Å | 1.10Å | |
| C75 | H75 | sing | 1.09Å | 1.10Å | |
| C75 | H75A | sing | 1.09Å | 1.10Å | |
| C76 | H76 | sing | 1.09Å | 1.10Å | |
| C76 | H76A | sing | 1.09Å | 1.10Å | |
| C77 | H77 | sing | 1.09Å | 1.10Å | |
| C77 | H77A | sing | 1.09Å | 1.10Å | |
| O7 | H1 | sing | 0.97Å | 0.95Å | |
| O12 | H2 | sing | 0.97Å | 0.95Å | |
| C78 | H3 | sing | 1.09Å | 1.10Å | |
| C78 | H5 | sing | 1.09Å | 1.10Å | |
| C78 | H4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C14 | O2 | 119.1° | 120.0° |
| O1 | C14 | C13 | 121.2° | 120.0° |
| O5 | P1 | O6 | 108.5° | 109.5° |
| O5 | P1 | O7 | 108.9° | 109.5° |
| O5 | P1 | O8 | 108.1° | 109.5° |
| P1 | O5 | C28 | 118.4° | 123.0° |
| O6 | P1 | O7 | 109.5° | 109.4° |
| O6 | P1 | O8 | 110.1° | 109.5° |
| O7 | P1 | O8 | 111.6° | 109.5° |
| P1 | O7 | H1 | 109.5° | 114.0° |
| P1 | O8 | C29 | 120.3° | 123.0° |
| C14 | O2 | C15 | 116.5° | 117.0° |
| O2 | C14 | C13 | 119.7° | 120.0° |
| O2 | C15 | C16 | 110.6° | 109.5° |
| O2 | C15 | C28 | 110.1° | 109.5° |
| O2 | C15 | H15 | 110.3° | 109.5° |
| O10 | P2 | O11 | 105.6° | 109.5° |
| O10 | P2 | O12 | 111.8° | 109.5° |
| O10 | P2 | O13 | 111.9° | 109.5° |
| P2 | O10 | C31 | 119.5° | 123.0° |
| O11 | P2 | O12 | 110.1° | 109.4° |
| O11 | P2 | O13 | 108.6° | 109.5° |
| O12 | P2 | O13 | 108.8° | 109.5° |
| P2 | O12 | H2 | 109.5° | 114.0° |
| P2 | O13 | C32 | 118.8° | 123.0° |
| C16 | O3 | C17 | 115.1° | 117.0° |
| O3 | C16 | C15 | 105.0° | 109.5° |
| O3 | C16 | H16 | 110.6° | 109.5° |
| O3 | C16 | H16A | 110.6° | 109.4° |
| O3 | C17 | O4 | 120.1° | 120.0° |
| O3 | C17 | C18 | 118.1° | 120.0° |
| O4 | C17 | C18 | 121.7° | 120.0° |
| O5 | C28 | C15 | 109.0° | 109.5° |
| O5 | C28 | H28 | 109.6° | 109.5° |
| O5 | C28 | H28A | 109.6° | 109.5° |
| C8 | C7 | C57 | 109.5° | 109.5° |
| C7 | C8 | C9 | 111.3° | 109.5° |
| C8 | C7 | H7 | 109.4° | 109.5° |
| C8 | C7 | H7A | 109.5° | 109.5° |
| C7 | C8 | H8 | 109.0° | 109.5° |
| C7 | C8 | H8A | 109.0° | 109.5° |
| C7 | C57 | C58 | 109.4° | 120.0° |
| C57 | C7 | H7 | 109.5° | 109.5° |
| C57 | C7 | H7A | 109.5° | 109.5° |
| C7 | C57 | H57 | 125.3° | 120.0° |
| C8 | C9 | C10 | 110.4° | 109.5° |
| C9 | C8 | H8 | 109.0° | 109.5° |
| C9 | C8 | H8A | 109.0° | 109.4° |
| C8 | C9 | H9 | 109.2° | 109.5° |
| C8 | C9 | H9A | 109.2° | 109.5° |
| O8 | C29 | C30 | 114.7° | 109.5° |
| O8 | C29 | H29 | 108.1° | 109.5° |
| O8 | C29 | H29A | 108.1° | 109.4° |
| C9 | C10 | C11 | 111.6° | 109.5° |
| C10 | C9 | H9 | 109.2° | 109.5° |
| C10 | C9 | H9A | 109.2° | 109.5° |
| C9 | C10 | H10 | 108.9° | 109.5° |
| C9 | C10 | H10A | 108.9° | 109.5° |
| O9 | C30 | C29 | 114.7° | 109.5° |
| O9 | C30 | C31 | 107.2° | 109.5° |
| C30 | O9 | HO9 | 109.5° | 114.0° |
| O9 | C30 | H30 | 108.1° | 109.5° |
| C02 | C01 | C44 | 109.5° | 109.5° |
| C01 | C02 | C03 | 109.5° | 109.5° |
| C02 | C01 | H01 | 109.5° | 109.5° |
| C02 | C01 | H01A | 109.5° | 109.5° |
| C01 | C02 | H02 | 109.5° | 109.5° |
| C01 | C02 | H02A | 109.5° | 109.5° |
| C01 | C44 | C43 | 120.0° | 120.0° |
| C44 | C01 | H01 | 109.5° | 109.5° |
| C44 | C01 | H01A | 109.5° | 109.5° |
| C01 | C44 | H44 | 120.0° | 120.0° |
| C02 | C03 | C04 | 109.4° | 109.5° |
| C03 | C02 | H02 | 109.4° | 109.5° |
| C03 | C02 | H02A | 109.5° | 109.5° |
| C02 | C03 | H03 | 109.5° | 109.5° |
| C02 | C03 | H03A | 109.5° | 109.4° |
| C03 | C04 | C05 | 109.5° | 109.5° |
| C04 | C03 | H03 | 109.5° | 109.5° |
| C04 | C03 | H03A | 109.5° | 109.5° |
| C03 | C04 | H04 | 109.5° | 109.5° |
| C03 | C04 | H04A | 109.5° | 109.5° |
| C04 | C05 | C06 | 109.5° | 109.5° |
| C05 | C04 | H04 | 109.5° | 109.4° |
| C05 | C04 | H04A | 109.4° | 109.5° |
| C04 | C05 | H05 | 109.5° | 109.4° |
| C04 | C05 | H05A | 109.5° | 109.5° |
| C05 | C06 | C07 | 109.4° | 109.5° |
| C06 | C05 | H05 | 109.4° | 109.5° |
| C06 | C05 | H05A | 109.5° | 109.5° |
| C05 | C06 | H06 | 109.5° | 109.4° |
| C05 | C06 | H06A | 109.5° | 109.5° |
| C06 | C07 | C08 | 109.5° | 109.5° |
| C07 | C06 | H06 | 109.5° | 109.5° |
| C07 | C06 | H06A | 109.5° | 109.5° |
| C06 | C07 | H07 | 109.5° | 109.4° |
| C06 | C07 | H07A | 109.4° | 109.5° |
| C08 | C07 | H07 | 109.5° | 109.4° |
| C08 | C07 | H07A | 109.5° | 109.5° |
| C07 | C08 | H08 | 109.5° | 109.4° |
| C07 | C08 | H08A | 109.5° | 109.5° |
| C07 | C08 | H08B | 109.5° | 109.5° |
| C23 | C09 | C55 | 109.5° | 109.5° |
| C09 | C23 | C24 | 109.5° | 109.5° |
| C23 | C09 | H09 | 109.5° | 109.5° |
| C23 | C09 | H09A | 109.5° | 109.5° |
| C09 | C23 | H23 | 109.5° | 109.5° |
| C09 | C23 | H23A | 109.5° | 109.5° |
| C09 | C55 | C54 | 120.0° | 120.0° |
| C55 | C09 | H09 | 109.4° | 109.5° |
| C55 | C09 | H09A | 109.4° | 109.5° |
| C09 | C55 | H55 | 120.0° | 120.0° |
| C10 | C11 | C12 | 108.7° | 109.5° |
| C11 | C10 | H10 | 109.0° | 109.4° |
| C11 | C10 | H10A | 108.9° | 109.5° |
| C10 | C11 | H11 | 109.7° | 109.4° |
| C10 | C11 | H11A | 109.7° | 109.5° |
| O10 | C31 | C30 | 107.5° | 109.4° |
| O10 | C31 | H31 | 109.9° | 109.4° |
| O10 | C31 | H31A | 109.9° | 109.5° |
| C11 | C12 | C13 | 110.6° | 109.5° |
| C12 | C11 | H11 | 109.7° | 109.5° |
| C12 | C11 | H11A | 109.7° | 109.5° |
| C11 | C12 | H12 | 109.2° | 109.4° |
| C11 | C12 | H12A | 109.2° | 109.5° |
| C12 | C13 | C14 | 106.7° | 109.5° |
| C13 | C12 | H12 | 109.2° | 109.4° |
| C13 | C12 | H12A | 109.2° | 109.5° |
| C12 | C13 | H13 | 110.2° | 109.4° |
| C12 | C13 | H13A | 110.1° | 109.5° |
| C14 | C13 | H13 | 110.1° | 109.5° |
| C14 | C13 | H13A | 110.1° | 109.5° |
| O13 | C32 | C33 | 110.5° | 109.5° |
| O13 | C32 | H32 | 109.2° | 109.5° |
| O13 | C32 | H32A | 109.2° | 109.5° |
| C34 | O14 | C35 | 116.8° | 117.0° |
| O14 | C34 | C33 | 105.4° | 109.5° |
| O14 | C34 | H34 | 110.5° | 109.5° |
| O14 | C34 | H34A | 110.5° | 109.5° |
| O14 | C35 | O15 | 119.6° | 120.0° |
| O14 | C35 | C36 | 118.9° | 120.0° |
| C16 | C15 | C28 | 107.9° | 109.5° |
| C16 | C15 | H15 | 109.0° | 109.5° |
| C15 | C16 | H16 | 110.6° | 109.5° |
| C15 | C16 | H16A | 110.5° | 109.5° |
| C28 | C15 | H15 | 109.0° | 109.4° |
| C15 | C28 | H28 | 109.6° | 109.5° |
| C15 | C28 | H28A | 109.6° | 109.4° |
| O15 | C35 | C36 | 121.5° | 119.9° |
| C33 | O16 | C46 | 126.5° | 117.1° |
| O16 | C33 | C32 | 115.9° | 109.5° |
| O16 | C33 | C34 | 113.8° | 109.4° |
| O16 | C33 | H33 | 106.1° | 109.4° |
| O16 | C46 | O17 | 122.4° | 120.0° |
| O16 | C46 | C47 | 116.1° | 120.0° |
| C17 | C18 | C19 | 107.8° | 109.5° |
| C17 | C18 | H18 | 109.9° | 109.5° |
| C17 | C18 | H18A | 109.9° | 109.5° |
| O17 | C46 | C47 | 121.3° | 120.0° |
| C18 | C19 | C20 | 111.9° | 109.5° |
| C19 | C18 | H18 | 109.8° | 109.5° |
| C19 | C18 | H18A | 109.9° | 109.5° |
| C18 | C19 | H19 | 108.8° | 109.5° |
| C18 | C19 | H19A | 108.9° | 109.5° |
| C19 | C20 | C21 | 109.8° | 109.5° |
| C20 | C19 | H19 | 108.8° | 109.5° |
| C20 | C19 | H19A | 108.9° | 109.4° |
| C19 | C20 | H20 | 109.4° | 109.5° |
| C19 | C20 | H20A | 109.4° | 109.5° |
| C20 | C21 | C22 | 108.2° | 109.5° |
| C21 | C20 | H20 | 109.4° | 109.4° |
| C21 | C20 | H20A | 109.4° | 109.4° |
| C20 | C21 | H21 | 109.8° | 109.4° |
| C20 | C21 | H21A | 109.8° | 109.4° |
| C21 | C22 | C67 | 109.5° | 109.5° |
| C22 | C21 | H21 | 109.8° | 109.5° |
| C22 | C21 | H21A | 109.8° | 109.5° |
| C21 | C22 | H22 | 109.5° | 109.5° |
| C21 | C22 | H22A | 109.4° | 109.5° |
| C22 | C67 | C68 | 109.4° | 109.5° |
| C67 | C22 | H22 | 109.4° | 109.5° |
| C67 | C22 | H22A | 109.5° | 109.5° |
| C22 | C67 | H67 | 109.5° | 109.5° |
| C22 | C67 | H67A | 109.5° | 109.5° |
| C23 | C24 | C25 | 109.5° | 109.5° |
| C24 | C23 | H23 | 109.5° | 109.5° |
| C24 | C23 | H23A | 109.5° | 109.5° |
| C23 | C24 | H24 | 109.5° | 109.5° |
| C23 | C24 | H24A | 109.5° | 109.5° |
| C24 | C25 | C26 | 109.5° | 109.5° |
| C25 | C24 | H24 | 109.5° | 109.5° |
| C25 | C24 | H24A | 109.5° | 109.4° |
| C24 | C25 | H25 | 109.5° | 109.5° |
| C24 | C25 | H25A | 109.4° | 109.4° |
| C25 | C26 | C27 | 109.5° | 109.5° |
| C26 | C25 | H25 | 109.5° | 109.5° |
| C26 | C25 | H25A | 109.5° | 109.5° |
| C25 | C26 | H26 | 109.5° | 109.5° |
| C25 | C26 | H26A | 109.5° | 109.5° |
| C26 | C27 | C45 | 109.4° | 109.5° |
| C27 | C26 | H26 | 109.4° | 109.5° |
| C27 | C26 | H26A | 109.5° | 109.4° |
| C26 | C27 | H27 | 109.5° | 109.5° |
| C26 | C27 | H27A | 109.5° | 109.4° |
| C27 | C45 | C56 | 109.5° | 109.5° |
| C45 | C27 | H27 | 109.5° | 109.5° |
| C45 | C27 | H27A | 109.5° | 109.5° |
| C27 | C45 | H45 | 109.5° | 109.5° |
| C27 | C45 | H45A | 109.5° | 109.4° |
| C29 | C30 | C31 | 113.8° | 109.4° |
| C30 | C29 | H29 | 108.2° | 109.5° |
| C30 | C29 | H29A | 108.1° | 109.4° |
| C29 | C30 | H30 | 106.2° | 109.4° |
| C31 | C30 | H30 | 106.4° | 109.5° |
| C30 | C31 | H31 | 110.0° | 109.5° |
| C30 | C31 | H31A | 110.0° | 109.5° |
| C32 | C33 | C34 | 109.7° | 109.5° |
| C33 | C32 | H32 | 109.2° | 109.5° |
| C33 | C32 | H32A | 109.2° | 109.5° |
| C32 | C33 | H33 | 105.2° | 109.5° |
| C34 | C33 | H33 | 105.1° | 109.4° |
| C33 | C34 | H34 | 110.5° | 109.5° |
| C33 | C34 | H34A | 110.5° | 109.5° |
| C35 | C36 | C37 | 113.1° | 109.5° |
| C35 | C36 | H36 | 108.5° | 109.4° |
| C35 | C36 | H36A | 108.5° | 109.5° |
| C36 | C37 | C38 | 110.4° | 109.5° |
| C37 | C36 | H36 | 108.6° | 109.5° |
| C37 | C36 | H36A | 108.6° | 109.5° |
| C36 | C37 | H37 | 109.2° | 109.4° |
| C36 | C37 | H37A | 109.2° | 109.5° |
| C37 | C38 | C39 | 112.4° | 109.5° |
| C38 | C37 | H37 | 109.2° | 109.5° |
| C38 | C37 | H37A | 109.2° | 109.5° |
| C37 | C38 | H38 | 108.7° | 109.5° |
| C37 | C38 | H38A | 108.7° | 109.5° |
| C38 | C39 | C40 | 109.8° | 109.5° |
| C39 | C38 | H38 | 108.7° | 109.5° |
| C39 | C38 | H38A | 108.7° | 109.5° |
| C38 | C39 | H39 | 109.4° | 109.5° |
| C38 | C39 | H39A | 109.4° | 109.4° |
| C39 | C40 | C41 | 111.2° | 109.5° |
| C40 | C39 | H39 | 109.4° | 109.5° |
| C40 | C39 | H39A | 109.4° | 109.5° |
| C39 | C40 | H40 | 109.0° | 109.5° |
| C39 | C40 | H40A | 109.0° | 109.4° |
| C40 | C41 | C42 | 106.9° | 109.4° |
| C41 | C40 | H40 | 109.0° | 109.5° |
| C41 | C40 | H40A | 109.0° | 109.5° |
| C40 | C41 | H41 | 110.1° | 109.5° |
| C40 | C41 | H41A | 110.1° | 109.5° |
| C41 | C42 | C43 | 112.6° | 109.4° |
| C42 | C41 | H41 | 110.1° | 109.4° |
| C42 | C41 | H41A | 110.1° | 109.5° |
| C41 | C42 | H42 | 108.7° | 109.4° |
| C41 | C42 | H42A | 108.7° | 109.5° |
| C42 | C43 | C44 | 108.0° | 120.0° |
| C43 | C42 | H42 | 108.7° | 109.5° |
| C43 | C42 | H42A | 108.7° | 109.5° |
| C42 | C43 | H43 | 126.0° | 120.0° |
| C44 | C43 | H43 | 126.0° | 120.0° |
| C43 | C44 | H44 | 120.0° | 120.0° |
| C56 | C45 | H45 | 109.5° | 109.5° |
| C56 | C45 | H45A | 109.4° | 109.4° |
| C45 | C56 | H56 | 109.5° | 109.5° |
| C45 | C56 | H56A | 109.5° | 109.4° |
| C45 | C56 | H56B | 109.4° | 109.5° |
| C46 | C47 | C48 | 103.0° | 109.5° |
| C46 | C47 | H47 | 111.1° | 109.5° |
| C46 | C47 | H47A | 111.1° | 109.5° |
| C47 | C48 | C49 | 111.4° | 109.5° |
| C48 | C47 | H47 | 111.1° | 109.5° |
| C48 | C47 | H47A | 111.1° | 109.4° |
| C47 | C48 | H48 | 109.0° | 109.5° |
| C47 | C48 | H48A | 109.0° | 109.4° |
| C48 | C49 | C50 | 109.5° | 109.4° |
| C49 | C48 | H48 | 109.0° | 109.5° |
| C49 | C48 | H48A | 109.0° | 109.5° |
| C48 | C49 | H49 | 109.4° | 109.5° |
| C48 | C49 | H49A | 109.4° | 109.5° |
| C49 | C50 | C51 | 107.3° | 109.4° |
| C50 | C49 | H49 | 109.5° | 109.5° |
| C50 | C49 | H49A | 109.5° | 109.5° |
| C49 | C50 | H50 | 110.0° | 109.5° |
| C49 | C50 | H50A | 110.0° | 109.5° |
| C50 | C51 | C52 | 107.8° | 109.4° |
| C51 | C50 | H50 | 110.0° | 109.5° |
| C51 | C50 | H50A | 110.0° | 109.5° |
| C50 | C51 | H51 | 109.9° | 109.5° |
| C50 | C51 | H51A | 109.9° | 109.5° |
| C51 | C52 | C53 | 109.7° | 109.4° |
| C52 | C51 | H51 | 109.9° | 109.5° |
| C52 | C51 | H51A | 109.9° | 109.5° |
| C51 | C52 | H52 | 109.4° | 109.5° |
| C51 | C52 | H52A | 109.4° | 109.5° |
| C52 | C53 | C54 | 108.7° | 109.4° |
| C53 | C52 | H52 | 109.4° | 109.5° |
| C53 | C52 | H52A | 109.4° | 109.5° |
| C52 | C53 | H53 | 109.7° | 109.4° |
| C52 | C53 | H53A | 109.7° | 109.5° |
| C53 | C54 | C55 | 110.9° | 120.0° |
| C54 | C53 | H53 | 109.7° | 109.5° |
| C54 | C53 | H53A | 109.7° | 109.5° |
| C53 | C54 | H54 | 124.5° | 120.0° |
| C55 | C54 | H54 | 124.5° | 120.0° |
| C54 | C55 | H55 | 120.0° | 120.0° |
| C57 | C58 | C59 | 120.0° | 120.0° |
| C58 | C57 | H57 | 125.3° | 120.0° |
| C57 | C58 | H58 | 120.0° | 120.0° |
| C58 | C59 | C60 | 109.5° | 109.4° |
| C59 | C58 | H58 | 120.0° | 120.0° |
| C58 | C59 | H59 | 109.5° | 109.5° |
| C58 | C59 | H59A | 109.5° | 109.5° |
| C59 | C60 | C61 | 109.4° | 109.4° |
| C60 | C59 | H59 | 109.5° | 109.4° |
| C60 | C59 | H59A | 109.5° | 109.5° |
| C59 | C60 | H60 | 109.5° | 109.5° |
| C59 | C60 | H60A | 109.5° | 109.5° |
| C60 | C61 | C62 | 109.6° | 109.5° |
| C61 | C60 | H60 | 109.5° | 109.4° |
| C61 | C60 | H60A | 109.5° | 109.5° |
| C60 | C61 | H61 | 109.4° | 109.4° |
| C60 | C61 | H61A | 109.4° | 109.5° |
| C61 | C62 | C63 | 109.6° | 109.5° |
| C62 | C61 | H61 | 109.4° | 109.5° |
| C62 | C61 | H61A | 109.5° | 109.5° |
| C61 | C62 | H62 | 109.5° | 109.5° |
| C61 | C62 | H62A | 109.5° | 109.5° |
| C62 | C63 | C64 | 109.5° | 109.5° |
| C63 | C62 | H62 | 109.4° | 109.5° |
| C63 | C62 | H62A | 109.5° | 109.4° |
| C62 | C63 | H63 | 109.5° | 109.5° |
| C62 | C63 | H63A | 109.5° | 109.4° |
| C63 | C64 | C65 | 109.5° | 109.5° |
| C64 | C63 | H63 | 109.5° | 109.5° |
| C64 | C63 | H63A | 109.5° | 109.5° |
| C63 | C64 | H64 | 109.5° | 109.4° |
| C63 | C64 | H64A | 109.5° | 109.5° |
| C64 | C65 | C66 | 109.4° | 109.4° |
| C65 | C64 | H64 | 109.5° | 109.5° |
| C65 | C64 | H64A | 109.5° | 109.5° |
| C64 | C65 | H65 | 109.5° | 109.4° |
| C64 | C65 | H65A | 109.5° | 109.4° |
| C66 | C65 | H65 | 109.5° | 109.5° |
| C66 | C65 | H65A | 109.5° | 109.5° |
| C65 | C66 | H66 | 109.5° | 109.5° |
| C65 | C66 | H66A | 109.4° | 109.5° |
| C65 | C66 | H66B | 109.5° | 109.5° |
| C67 | C68 | C69 | 109.5° | 109.5° |
| C68 | C67 | H67 | 109.5° | 109.5° |
| C68 | C67 | H67A | 109.5° | 109.4° |
| C67 | C68 | H68 | 109.5° | 109.5° |
| C67 | C68 | H68A | 109.5° | 109.5° |
| C68 | C69 | C70 | 109.4° | 120.0° |
| C69 | C68 | H68 | 109.5° | 109.5° |
| C69 | C68 | H68A | 109.5° | 109.4° |
| C68 | C69 | H69 | 125.3° | 120.0° |
| C69 | C70 | C71 | 120.0° | 119.9° |
| C70 | C69 | H69 | 125.3° | 120.0° |
| C69 | C70 | H70 | 120.0° | 120.0° |
| C70 | C71 | C72 | 109.5° | 109.5° |
| C71 | C70 | H70 | 120.0° | 120.0° |
| C70 | C71 | H71 | 109.5° | 109.4° |
| C70 | C71 | H71A | 109.5° | 109.5° |
| C71 | C72 | C73 | 109.5° | 109.5° |
| C72 | C71 | H71 | 109.5° | 109.5° |
| C72 | C71 | H71A | 109.5° | 109.5° |
| C71 | C72 | H72 | 109.5° | 109.5° |
| C71 | C72 | H72A | 109.5° | 109.5° |
| C72 | C73 | C74 | 109.4° | 109.5° |
| C73 | C72 | H72 | 109.4° | 109.5° |
| C73 | C72 | H72A | 109.4° | 109.4° |
| C72 | C73 | H73 | 109.5° | 109.5° |
| C72 | C73 | H73A | 109.5° | 109.4° |
| C73 | C74 | C75 | 109.5° | 109.5° |
| C74 | C73 | H73 | 109.5° | 109.5° |
| C74 | C73 | H73A | 109.5° | 109.4° |
| C73 | C74 | H74 | 109.5° | 109.5° |
| C73 | C74 | H74A | 109.5° | 109.4° |
| C74 | C75 | C76 | 109.4° | 109.5° |
| C75 | C74 | H74 | 109.4° | 109.5° |
| C75 | C74 | H74A | 109.5° | 109.5° |
| C74 | C75 | H75 | 109.5° | 109.4° |
| C74 | C75 | H75A | 109.5° | 109.5° |
| C75 | C76 | C77 | 109.4° | 109.4° |
| C76 | C75 | H75 | 109.5° | 109.5° |
| C76 | C75 | H75A | 109.5° | 109.5° |
| C75 | C76 | H76 | 109.5° | 109.5° |
| C75 | C76 | H76A | 109.5° | 109.5° |
| C76 | C77 | C78 | 109.4° | 109.5° |
| C77 | C76 | H76 | 109.5° | 109.5° |
| C77 | C76 | H76A | 109.5° | 109.5° |
| C76 | C77 | H77 | 109.5° | 109.5° |
| C76 | C77 | H77A | 109.5° | 109.5° |
| C78 | C77 | H77 | 109.5° | 109.4° |
| C78 | C77 | H77A | 109.5° | 109.4° |
| C77 | C78 | H3 | 109.5° | 109.4° |
| C77 | C78 | H5 | 109.5° | 109.5° |
| C77 | C78 | H4 | 109.5° | 109.5° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H9 | C9 | H9A | 109.5° | 109.4° |
| H01 | C01 | H01A | 109.5° | 109.5° |
| H02 | C02 | H02A | 109.5° | 109.5° |
| H03 | C03 | H03A | 109.5° | 109.4° |
| H04 | C04 | H04A | 109.5° | 109.5° |
| H05 | C05 | H05A | 109.4° | 109.5° |
| H06 | C06 | H06A | 109.5° | 109.5° |
| H07 | C07 | H07A | 109.5° | 109.5° |
| H08 | C08 | H08A | 109.4° | 109.5° |
| H08 | C08 | H08B | 109.4° | 109.5° |
| H08A | C08 | H08B | 109.5° | 109.5° |
| H09 | C09 | H09A | 109.4° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H11 | C11 | H11A | 109.5° | 109.4° |
| H12 | C12 | H12A | 109.4° | 109.5° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| H18 | C18 | H18A | 109.5° | 109.5° |
| H19 | C19 | H19A | 109.5° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.4° |
| H21 | C21 | H21A | 109.5° | 109.4° |
| H22 | C22 | H22A | 109.5° | 109.4° |
| H23 | C23 | H23A | 109.5° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H25 | C25 | H25A | 109.5° | 109.5° |
| H26 | C26 | H26A | 109.5° | 109.5° |
| H27 | C27 | H27A | 109.4° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.5° |
| H29 | C29 | H29A | 109.5° | 109.5° |
| H31 | C31 | H31A | 109.5° | 109.5° |
| H32 | C32 | H32A | 109.5° | 109.5° |
| H34 | C34 | H34A | 109.5° | 109.5° |
| H36 | C36 | H36A | 109.5° | 109.5° |
| H37 | C37 | H37A | 109.5° | 109.5° |
| H38 | C38 | H38A | 109.5° | 109.4° |
| H39 | C39 | H39A | 109.5° | 109.4° |
| H40 | C40 | H40A | 109.5° | 109.4° |
| H41 | C41 | H41A | 109.5° | 109.5° |
| H42 | C42 | H42A | 109.5° | 109.5° |
| H45 | C45 | H45A | 109.5° | 109.5° |
| H47 | C47 | H47A | 109.5° | 109.5° |
| H48 | C48 | H48A | 109.5° | 109.4° |
| H49 | C49 | H49A | 109.5° | 109.4° |
| H50 | C50 | H50A | 109.5° | 109.5° |
| H51 | C51 | H51A | 109.5° | 109.5° |
| H52 | C52 | H52A | 109.5° | 109.5° |
| H53 | C53 | H53A | 109.5° | 109.6° |
| H56 | C56 | H56A | 109.5° | 109.5° |
| H56 | C56 | H56B | 109.4° | 109.5° |
| H56A | C56 | H56B | 109.5° | 109.5° |
| H59 | C59 | H59A | 109.5° | 109.5° |
| H60 | C60 | H60A | 109.5° | 109.5° |
| H61 | C61 | H61A | 109.5° | 109.5° |
| H62 | C62 | H62A | 109.5° | 109.4° |
| H63 | C63 | H63A | 109.5° | 109.4° |
| H64 | C64 | H64A | 109.4° | 109.5° |
| H65 | C65 | H65A | 109.4° | 109.5° |
| H66 | C66 | H66A | 109.5° | 109.5° |
| H66 | C66 | H66B | 109.5° | 109.4° |
| H66A | C66 | H66B | 109.5° | 109.5° |
| H67 | C67 | H67A | 109.5° | 109.5° |
| H68 | C68 | H68A | 109.5° | 109.5° |
| H71 | C71 | H71A | 109.4° | 109.5° |
| H72 | C72 | H72A | 109.5° | 109.5° |
| H73 | C73 | H73A | 109.5° | 109.5° |
| H74 | C74 | H74A | 109.5° | 109.4° |
| H75 | C75 | H75A | 109.5° | 109.5° |
| H76 | C76 | H76A | 109.5° | 109.5° |
| H77 | C77 | H77A | 109.5° | 109.5° |
| H3 | C78 | H5 | 109.4° | 109.4° |
| H3 | C78 | H4 | 109.4° | 109.5° |
| H5 | C78 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C14 | O2 | C13 | 178.5° | 180.0° |
| O1 | C14 | O2 | C15 | 106.5° | 0.0° |
| O1 | C14 | C13 | C12 | 68.7° | 0.0° |
| O1 | C14 | C13 | H13 | 171.7° | 120.0° |
| O1 | C14 | C13 | H13A | 50.9° | 120.0° |
| O5 | P1 | O6 | O7 | 118.8° | 120.0° |
| O5 | P1 | O6 | O8 | 118.1° | 120.0° |
| O5 | P1 | O7 | O8 | 119.2° | 120.0° |
| O5 | P1 | O8 | C29 | 54.9° | 175.0° |
| P1 | O5 | C28 | C15 | 148.1° | 180.0° |
| P1 | O5 | C28 | H28 | 28.2° | 60.0° |
| P1 | O5 | C28 | H28A | 91.9° | 60.1° |
| O5 | P1 | O7 | H1 | 118.6° | 60.0° |
| O6 | P1 | O7 | O8 | 122.2° | 120.0° |
| O6 | P1 | O5 | C28 | 79.2° | 54.9° |
| O6 | P1 | O8 | C29 | 173.3° | 55.0° |
| O6 | P1 | O7 | H1 | 0.0° | 180.0° |
| O7 | P1 | O5 | C28 | 40.0° | 65.0° |
| O7 | P1 | O8 | C29 | 64.8° | 64.9° |
| O8 | P1 | O5 | C28 | 161.4° | 175.0° |
| P1 | O8 | C29 | C30 | 74.4° | 180.0° |
| P1 | O8 | C29 | H29 | 46.4° | 59.9° |
| P1 | O8 | C29 | H29A | 164.9° | 60.0° |
| O8 | P1 | O7 | H1 | 122.2° | 60.0° |
| O2 | C14 | C13 | C12 | 109.8° | 180.0° |
| C14 | O2 | C15 | C16 | 144.4° | 90.0° |
| C14 | O2 | C15 | C28 | 96.6° | 150.0° |
| O2 | C14 | C13 | H13 | 9.8° | 60.0° |
| O2 | C14 | C13 | H13A | 130.6° | 60.0° |
| C14 | O2 | C15 | H15 | 23.8° | 30.0° |
| O2 | C15 | C16 | O3 | 101.3° | 65.0° |
| O2 | C15 | C28 | O5 | 45.0° | 65.0° |
| C15 | O2 | C14 | C13 | 75.0° | 180.0° |
| O2 | C15 | C16 | C28 | 120.4° | 120.0° |
| O2 | C15 | C16 | H15 | 121.4° | 120.0° |
| O2 | C15 | C28 | H15 | 121.1° | 120.0° |
| O2 | C15 | C16 | H16 | 18.0° | 55.0° |
| O2 | C15 | C16 | H16A | 139.4° | 175.0° |
| O2 | C15 | C28 | H28 | 165.0° | 175.0° |
| O2 | C15 | C28 | H28A | 74.9° | 55.0° |
| O10 | P2 | O11 | O12 | 120.9° | 120.0° |
| O10 | P2 | O11 | O13 | 120.1° | 120.0° |
| O10 | P2 | O12 | O13 | 124.0° | 120.0° |
| O10 | P2 | O13 | C32 | 130.8° | 175.0° |
| P2 | O10 | C31 | C30 | 65.4° | 180.0° |
| P2 | O10 | C31 | H31 | 174.9° | 60.0° |
| P2 | O10 | C31 | H31A | 54.4° | 60.0° |
| O10 | P2 | O12 | H2 | 117.1° | 60.0° |
| O11 | P2 | O12 | O13 | 118.9° | 120.0° |
| O11 | P2 | O10 | C31 | 107.7° | 55.0° |
| O11 | P2 | O13 | C32 | 14.7° | 55.0° |
| O11 | P2 | O12 | H2 | 0.0° | 180.0° |
| O12 | P2 | O10 | C31 | 12.1° | 65.0° |
| O12 | P2 | O13 | C32 | 105.2° | 65.0° |
| O13 | P2 | O10 | C31 | 134.4° | 175.0° |
| P2 | O13 | C32 | C33 | 167.6° | 180.0° |
| P2 | O13 | C32 | H32 | 72.2° | 60.0° |
| P2 | O13 | C32 | H32A | 47.5° | 60.0° |
| O13 | P2 | O12 | H2 | 118.9° | 60.0° |
| C16 | O3 | C17 | O4 | 59.2° | 0.0° |
| O3 | C16 | C15 | H16 | 119.3° | 120.0° |
| O3 | C16 | C15 | H16A | 119.3° | 120.0° |
| O3 | C16 | C15 | C28 | 138.3° | 175.0° |
| C16 | O3 | C17 | C18 | 121.7° | 180.0° |
| O3 | C16 | C15 | H15 | 20.1° | 55.0° |
| O3 | C16 | H16 | H16A | 122.1° | 119.9° |
| O3 | C17 | O4 | C18 | 179.1° | 180.0° |
| C17 | O3 | C16 | C15 | 145.9° | 180.0° |
| O3 | C17 | C18 | C19 | 2.3° | 180.0° |
| C17 | O3 | C16 | H16 | 94.8° | 60.0° |
| C17 | O3 | C16 | H16A | 26.6° | 60.0° |
| O3 | C17 | C18 | H18 | 117.4° | 60.0° |
| O3 | C17 | C18 | H18A | 122.1° | 60.0° |
| O4 | C17 | C18 | C19 | 178.6° | 0.0° |
| O4 | C17 | C18 | H18 | 61.7° | 120.0° |
| O4 | C17 | C18 | H18A | 58.8° | 120.0° |
| O5 | C28 | C15 | C16 | 165.7° | 175.0° |
| O5 | C28 | C15 | H28 | 119.9° | 120.0° |
| O5 | C28 | C15 | H28A | 119.9° | 120.0° |
| O5 | C28 | C15 | H15 | 76.1° | 55.0° |
| O5 | C28 | H28 | H28A | 120.3° | 120.1° |
| C8 | C7 | C57 | H7 | 120.0° | 120.0° |
| C8 | C7 | C57 | H7A | 120.0° | 120.0° |
| C7 | C8 | C9 | H8 | 120.3° | 120.0° |
| C7 | C8 | C9 | H8A | 120.3° | 120.0° |
| C7 | C8 | C9 | C10 | 99.4° | 180.0° |
| C8 | C7 | C57 | C58 | 160.5° | 127.6° |
| C8 | C7 | H7 | H7A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8A | 119.2° | 120.0° |
| C7 | C8 | C9 | H9 | 140.4° | 60.0° |
| C7 | C8 | C9 | H9A | 20.7° | 60.0° |
| C8 | C7 | C57 | H57 | 19.5° | 52.4° |
| C57 | C7 | C8 | C9 | 63.1° | 180.0° |
| C7 | C57 | C58 | H57 | 180.0° | 180.0° |
| C7 | C57 | C58 | C59 | 0.0° | 7.3° |
| C57 | C7 | H7 | H7A | 120.0° | 120.0° |
| C57 | C7 | C8 | H8 | 176.6° | 60.0° |
| C57 | C7 | C8 | H8A | 57.2° | 60.0° |
| C7 | C57 | C58 | H58 | 180.0° | 172.7° |
| C8 | C9 | C10 | H9 | 120.2° | 120.0° |
| C8 | C9 | C10 | H9A | 120.1° | 120.0° |
| C8 | C9 | C10 | C11 | 120.8° | 180.0° |
| C9 | C8 | C7 | H7 | 176.9° | 60.0° |
| C9 | C8 | C7 | H7A | 56.9° | 60.0° |
| C9 | C8 | H8 | H8A | 119.2° | 120.0° |
| C8 | C9 | H9 | H9A | 119.6° | 120.0° |
| C8 | C9 | C10 | H10 | 0.5° | 60.0° |
| C8 | C9 | C10 | H10A | 118.9° | 60.0° |
| O8 | C29 | C30 | O9 | 35.5° | 64.9° |
| O8 | C29 | C30 | H29 | 120.8° | 120.1° |
| O8 | C29 | C30 | H29A | 120.8° | 119.9° |
| O8 | C29 | C30 | C31 | 88.4° | 175.0° |
| O8 | C29 | H29 | H29A | 117.6° | 120.0° |
| O8 | C29 | C30 | H30 | 154.8° | 55.1° |
| C9 | C10 | C11 | H10 | 120.3° | 120.0° |
| C9 | C10 | C11 | H10A | 120.3° | 120.0° |
| C9 | C10 | C11 | C12 | 147.2° | 180.0° |
| C10 | C9 | C8 | H8 | 20.9° | 60.0° |
| C10 | C9 | C8 | H8A | 140.3° | 60.0° |
| C10 | C9 | H9 | H9A | 119.5° | 120.0° |
| C9 | C10 | H10 | H10A | 119.0° | 120.0° |
| C9 | C10 | C11 | H11 | 27.4° | 60.0° |
| C9 | C10 | C11 | H11A | 92.9° | 59.9° |
| O9 | C30 | C31 | O10 | 69.4° | 65.0° |
| O9 | C30 | C29 | C31 | 124.0° | 120.0° |
| O9 | C30 | C29 | H30 | 119.3° | 120.0° |
| O9 | C30 | C31 | H30 | 115.5° | 120.1° |
| O9 | C30 | C29 | H29 | 85.2° | 175.0° |
| O9 | C30 | C29 | H29A | 156.3° | 55.0° |
| O9 | C30 | C31 | H31 | 50.3° | 54.9° |
| O9 | C30 | C31 | H31A | 170.9° | 175.0° |
| C02 | C01 | C44 | H01 | 120.0° | 120.0° |
| C02 | C01 | C44 | H01A | 120.0° | 120.0° |
| C01 | C02 | C03 | H02 | 120.0° | 120.0° |
| C01 | C02 | C03 | H02A | 120.0° | 120.0° |
| C01 | C02 | C03 | C04 | 179.5° | NaN° |
| C02 | C01 | C44 | C43 | 150.4° | 126.4° |
| C02 | C01 | H01 | H01A | 120.0° | 120.0° |
| C01 | C02 | H02 | H02A | 120.0° | 120.0° |
| C01 | C02 | C03 | H03 | 59.6° | 59.9° |
| C01 | C02 | C03 | H03A | 60.4° | 60.0° |
| C02 | C01 | C44 | H44 | 29.6° | 53.6° |
| C44 | C01 | C02 | C03 | 128.5° | 180.0° |
| C01 | C44 | C43 | C42 | 0.0° | 7.3° |
| C01 | C44 | C43 | H44 | 180.0° | 180.0° |
| C44 | C01 | H01 | H01A | 120.0° | 120.0° |
| C44 | C01 | C02 | H02 | 111.5° | 60.0° |
| C44 | C01 | C02 | H02A | 8.5° | 60.0° |
| C01 | C44 | C43 | H43 | 180.0° | 172.7° |
| C02 | C03 | C04 | H03 | 120.0° | 120.1° |
| C02 | C03 | C04 | H03A | 120.0° | 120.0° |
| C02 | C03 | C04 | C05 | 59.7° | 180.0° |
| C03 | C02 | C01 | H01 | 111.5° | 60.0° |
| C03 | C02 | C01 | H01A | 8.5° | 60.0° |
| C03 | C02 | H02 | H02A | 120.0° | 120.0° |
| C02 | C03 | H03 | H03A | 120.0° | 120.0° |
| C02 | C03 | C04 | H04 | 179.7° | 60.0° |
| C02 | C03 | C04 | H04A | 60.3° | 60.0° |
| C03 | C04 | C05 | H04 | 120.0° | 120.0° |
| C03 | C04 | C05 | H04A | 120.0° | 120.0° |
| C03 | C04 | C05 | C06 | 64.4° | 180.0° |
| C04 | C03 | C02 | H02 | 60.4° | 60.0° |
| C04 | C03 | C02 | H02A | 59.5° | 60.0° |
| C04 | C03 | H03 | H03A | 120.0° | 120.0° |
| C03 | C04 | H04 | H04A | 120.0° | 120.1° |
| C03 | C04 | C05 | H05 | 55.6° | 60.0° |
| C03 | C04 | C05 | H05A | 175.6° | 60.0° |
| C04 | C05 | C06 | H05 | 120.0° | 120.0° |
| C04 | C05 | C06 | H05A | 120.0° | 120.0° |
| C04 | C05 | C06 | C07 | 147.1° | 180.0° |
| C05 | C04 | C03 | H03 | 60.3° | 60.0° |
| C05 | C04 | C03 | H03A | 179.7° | 60.0° |
| C05 | C04 | H04 | H04A | 120.0° | 120.0° |
| C04 | C05 | H05 | H05A | 120.0° | 120.0° |
| C04 | C05 | C06 | H06 | 92.9° | 60.0° |
| C04 | C05 | C06 | H06A | 27.1° | 60.0° |
| C05 | C06 | C07 | H06 | 120.0° | 120.0° |
| C05 | C06 | C07 | H06A | 120.0° | 120.0° |
| C05 | C06 | C07 | C08 | 172.1° | 180.0° |
| C06 | C05 | C04 | H04 | 175.6° | 60.0° |
| C06 | C05 | C04 | H04A | 55.6° | 60.0° |
| C06 | C05 | H05 | H05A | 120.0° | 120.0° |
| C05 | C06 | H06 | H06A | 120.0° | 120.0° |
| C05 | C06 | C07 | H07 | 52.1° | 60.1° |
| C05 | C06 | C07 | H07A | 67.9° | 60.0° |
| C06 | C07 | C08 | H07 | 120.0° | 119.9° |
| C06 | C07 | C08 | H07A | 120.0° | 120.0° |
| C07 | C06 | C05 | H05 | 27.1° | 60.0° |
| C07 | C06 | C05 | H05A | 92.9° | 60.0° |
| C07 | C06 | H06 | H06A | 120.0° | 120.0° |
| C06 | C07 | H07 | H07A | 120.0° | 120.0° |
| C06 | C07 | C08 | H08 | 180.0° | 60.0° |
| C06 | C07 | C08 | H08A | 60.0° | 60.0° |
| C06 | C07 | C08 | H08B | 60.0° | 180.0° |
| C08 | C07 | C06 | H06 | 67.9° | 60.1° |
| C08 | C07 | C06 | H06A | 52.1° | 60.0° |
| C08 | C07 | H07 | H07A | 120.0° | 120.0° |
| C07 | C08 | H08 | H08A | 120.0° | 120.0° |
| C07 | C08 | H08 | H08B | 120.0° | 120.0° |
| C07 | C08 | H08A | H08B | 120.0° | 120.0° |
| C23 | C09 | C55 | H09 | 120.0° | 120.0° |
| C23 | C09 | C55 | H09A | 120.0° | 120.0° |
| C09 | C23 | C24 | H23 | 120.0° | 120.0° |
| C09 | C23 | C24 | H23A | 120.0° | 120.0° |
| C09 | C23 | C24 | C25 | 117.2° | 179.9° |
| C23 | C09 | C55 | C54 | 149.9° | 126.8° |
| C23 | C09 | H09 | H09A | 120.0° | 120.0° |
| C09 | C23 | H23 | H23A | 120.0° | 120.0° |
| C09 | C23 | C24 | H24 | 2.8° | 60.0° |
| C09 | C23 | C24 | H24A | 122.8° | 60.0° |
| C23 | C09 | C55 | H55 | 30.1° | 53.2° |
| C55 | C09 | C23 | C24 | 64.8° | 180.0° |
| C09 | C55 | C54 | C53 | 0.0° | 7.8° |
| C09 | C55 | C54 | H55 | 180.0° | 180.0° |
| C55 | C09 | H09 | H09A | 119.9° | 120.0° |
| C55 | C09 | C23 | H23 | 55.2° | 60.0° |
| C55 | C09 | C23 | H23A | 175.2° | 60.0° |
| C09 | C55 | C54 | H54 | 180.0° | 172.2° |
| C10 | C11 | C12 | H11 | 119.9° | 120.0° |
| C10 | C11 | C12 | H11A | 119.9° | 120.1° |
| C10 | C11 | C12 | C13 | 49.0° | 180.0° |
| C11 | C10 | C9 | H9 | 119.0° | 60.0° |
| C11 | C10 | C9 | H9A | 0.7° | 59.9° |
| C11 | C10 | H10 | H10A | 119.0° | 120.0° |
| C10 | C11 | H11 | H11A | 120.3° | 120.0° |
| C10 | C11 | C12 | H12 | 169.2° | 60.1° |
| C10 | C11 | C12 | H12A | 71.2° | 60.0° |
| O10 | C31 | C30 | C29 | 162.7° | 175.0° |
| O10 | C31 | C30 | H31 | 119.7° | 119.9° |
| O10 | C31 | C30 | H31A | 119.7° | 120.0° |
| O10 | C31 | C30 | H30 | 46.1° | 55.0° |
| O10 | C31 | H31 | H31A | 120.9° | 120.0° |
| C11 | C12 | C13 | H12 | 120.2° | 119.9° |
| C11 | C12 | C13 | H12A | 120.2° | 120.0° |
| C11 | C12 | C13 | C14 | 148.8° | 180.0° |
| C12 | C11 | C10 | H10 | 92.5° | 60.0° |
| C12 | C11 | C10 | H10A | 26.9° | 60.0° |
| C12 | C11 | H11 | H11A | 120.4° | 120.0° |
| C11 | C12 | H12 | H12A | 119.5° | 120.0° |
| C11 | C12 | C13 | H13 | 29.2° | 60.1° |
| C11 | C12 | C13 | H13A | 91.7° | 60.0° |
| C12 | C13 | C14 | H13 | 119.6° | 119.9° |
| C12 | C13 | C14 | H13A | 119.5° | 120.0° |
| C13 | C12 | C11 | H11 | 70.9° | 60.0° |
| C13 | C12 | C11 | H11A | 168.9° | 59.9° |
| C13 | C12 | H12 | H12A | 119.4° | 120.0° |
| C12 | C13 | H13 | H13A | 121.3° | 120.0° |
| C14 | C13 | C12 | H12 | 91.0° | 60.1° |
| C14 | C13 | C12 | H12A | 28.6° | 60.0° |
| C14 | C13 | H13 | H13A | 121.3° | 120.0° |
| O13 | C32 | C33 | O16 | 55.6° | 65.0° |
| O13 | C32 | C33 | H32 | 120.2° | 120.0° |
| O13 | C32 | C33 | H32A | 120.2° | 120.0° |
| O13 | C32 | C33 | C34 | 173.9° | 175.0° |
| O13 | C32 | H32 | H32A | 119.5° | 120.0° |
| O13 | C32 | C33 | H33 | 61.3° | 55.0° |
| C34 | O14 | C35 | O15 | 47.4° | 0.1° |
| O14 | C34 | C33 | O16 | 170.5° | 65.0° |
| O14 | C34 | C33 | C32 | 38.9° | 175.0° |
| O14 | C34 | C33 | H34 | 119.4° | 120.0° |
| O14 | C34 | C33 | H34A | 119.3° | 120.0° |
| C34 | O14 | C35 | C36 | 133.8° | 180.0° |
| O14 | C34 | C33 | H33 | 73.8° | 54.9° |
| O14 | C34 | H34 | H34A | 121.9° | 120.0° |
| O14 | C35 | O15 | C36 | 178.7° | 179.9° |
| C35 | O14 | C34 | C33 | 116.3° | 180.0° |
| O14 | C35 | C36 | C37 | 19.3° | 180.0° |
| C35 | O14 | C34 | H34 | 3.0° | 59.9° |
| C35 | O14 | C34 | H34A | 124.3° | 60.0° |
| O14 | C35 | C36 | H36 | 139.8° | 60.1° |
| O14 | C35 | C36 | H36A | 101.3° | 59.9° |
| C16 | C15 | C28 | H15 | 118.2° | 120.0° |
| C15 | C16 | H16 | H16A | 122.0° | 120.0° |
| C16 | C15 | C28 | H28 | 74.3° | 55.0° |
| C16 | C15 | C28 | H28A | 45.8° | 65.0° |
| C28 | C15 | C16 | H16 | 102.4° | 65.0° |
| C28 | C15 | C16 | H16A | 19.0° | 55.0° |
| C15 | C28 | H28 | H28A | 120.2° | 119.9° |
| O15 | C35 | C36 | C37 | 159.5° | 0.1° |
| O15 | C35 | C36 | H36 | 38.9° | 120.0° |
| O15 | C35 | C36 | H36A | 80.0° | 120.0° |
| C33 | O16 | C46 | O17 | 104.1° | 0.0° |
| O16 | C33 | C32 | C34 | 130.5° | 120.0° |
| O16 | C33 | C32 | H33 | 116.9° | 120.0° |
| O16 | C33 | C34 | H33 | 115.7° | 119.9° |
| C33 | O16 | C46 | C47 | 80.8° | 180.0° |
| O16 | C33 | C32 | H32 | 175.8° | 175.0° |
| O16 | C33 | C32 | H32A | 64.6° | 55.0° |
| O16 | C33 | C34 | H34 | 70.1° | 55.1° |
| O16 | C33 | C34 | H34A | 51.2° | 175.0° |
| O16 | C46 | O17 | C47 | 174.9° | 180.0° |
| C46 | O16 | C33 | C32 | 58.2° | 150.0° |
| C46 | O16 | C33 | C34 | 70.4° | 90.0° |
| O16 | C46 | C47 | C48 | 42.1° | 180.0° |
| C46 | O16 | C33 | H33 | 174.6° | 29.9° |
| O16 | C46 | C47 | H47 | 161.1° | 60.0° |
| O16 | C46 | C47 | H47A | 76.8° | 60.0° |
| C17 | C18 | C19 | H18 | 119.7° | 120.0° |
| C17 | C18 | C19 | H18A | 119.8° | 120.0° |
| C17 | C18 | C19 | C20 | 157.4° | 180.0° |
| C17 | C18 | H18 | H18A | 120.8° | 120.0° |
| C17 | C18 | C19 | H19 | 82.2° | 60.0° |
| C17 | C18 | C19 | H19A | 37.1° | 60.0° |
| O17 | C46 | C47 | C48 | 133.0° | 0.0° |
| O17 | C46 | C47 | H47 | 14.1° | 120.0° |
| O17 | C46 | C47 | H47A | 108.0° | 120.0° |
| C18 | C19 | C20 | H19 | 120.3° | 120.0° |
| C18 | C19 | C20 | H19A | 120.4° | 120.0° |
| C18 | C19 | C20 | C21 | 78.8° | 180.0° |
| C19 | C18 | H18 | H18A | 120.8° | 120.0° |
| C18 | C19 | H19 | H19A | 118.9° | 120.0° |
| C18 | C19 | C20 | H20 | 161.2° | 60.0° |
| C18 | C19 | C20 | H20A | 41.3° | 60.0° |
| C19 | C20 | C21 | H20 | 120.1° | 120.0° |
| C19 | C20 | C21 | H20A | 120.1° | 120.1° |
| C19 | C20 | C21 | C22 | 171.2° | 180.0° |
| C20 | C19 | C18 | H18 | 37.7° | 60.0° |
| C20 | C19 | C18 | H18A | 82.8° | 60.0° |
| C20 | C19 | H19 | H19A | 118.9° | 120.0° |
| C19 | C20 | H20 | H20A | 119.8° | 120.0° |
| C19 | C20 | C21 | H21 | 51.5° | 60.0° |
| C19 | C20 | C21 | H21A | 69.0° | 59.9° |
| C20 | C21 | C22 | H21 | 119.8° | 120.0° |
| C20 | C21 | C22 | H21A | 119.8° | 120.0° |
| C20 | C21 | C22 | C67 | 163.4° | 180.0° |
| C21 | C20 | C19 | H19 | 41.6° | 60.0° |
| C21 | C20 | C19 | H19A | 160.8° | 60.0° |
| C21 | C20 | H20 | H20A | 119.9° | 119.9° |
| C20 | C21 | H21 | H21A | 120.6° | 119.9° |
| C20 | C21 | C22 | H22 | 76.6° | 60.0° |
| C20 | C21 | C22 | H22A | 43.4° | 59.9° |
| C21 | C22 | C67 | H22 | 120.0° | 120.0° |
| C21 | C22 | C67 | H22A | 120.0° | 120.0° |
| C21 | C22 | C67 | C68 | 173.2° | 180.0° |
| C22 | C21 | C20 | H20 | 68.7° | 60.0° |
| C22 | C21 | C20 | H20A | 51.2° | 59.9° |
| C22 | C21 | H21 | H21A | 120.6° | 120.0° |
| C21 | C22 | H22 | H22A | 120.0° | 120.0° |
| C21 | C22 | C67 | H67 | 53.2° | 60.0° |
| C21 | C22 | C67 | H67A | 66.8° | 60.0° |
| C22 | C67 | C68 | H67 | 120.0° | 120.0° |
| C22 | C67 | C68 | H67A | 120.0° | 120.0° |
| C22 | C67 | C68 | C69 | 177.5° | 180.0° |
| C67 | C22 | C21 | H21 | 43.6° | 60.0° |
| C67 | C22 | C21 | H21A | 76.8° | 60.0° |
| C67 | C22 | H22 | H22A | 120.0° | 120.0° |
| C22 | C67 | H67 | H67A | 120.0° | 120.1° |
| C22 | C67 | C68 | H68 | 62.5° | 60.0° |
| C22 | C67 | C68 | H68A | 57.6° | 60.0° |
| C23 | C24 | C25 | H24 | 120.0° | 120.0° |
| C23 | C24 | C25 | H24A | 120.0° | 120.0° |
| C23 | C24 | C25 | C26 | 137.2° | 180.0° |
| C24 | C23 | C09 | H09 | 55.2° | 60.0° |
| C24 | C23 | C09 | H09A | 175.2° | 60.0° |
| C24 | C23 | H23 | H23A | 120.0° | 120.0° |
| C23 | C24 | H24 | H24A | 120.0° | 120.0° |
| C23 | C24 | C25 | H25 | 17.1° | 60.0° |
| C23 | C24 | C25 | H25A | 102.8° | 60.0° |
| C24 | C25 | C26 | H25 | 120.0° | 120.1° |
| C24 | C25 | C26 | H25A | 120.0° | 119.9° |
| C24 | C25 | C26 | C27 | 172.0° | 180.0° |
| C25 | C24 | C23 | H23 | 122.8° | 60.0° |
| C25 | C24 | C23 | H23A | 2.8° | 60.1° |
| C25 | C24 | H24 | H24A | 120.0° | 120.0° |
| C24 | C25 | H25 | H25A | 119.9° | 120.0° |
| C24 | C25 | C26 | H26 | 68.0° | 59.9° |
| C24 | C25 | C26 | H26A | 52.0° | 60.1° |
| C25 | C26 | C27 | H26 | 120.0° | 120.1° |
| C25 | C26 | C27 | H26A | 120.0° | 120.0° |
| C25 | C26 | C27 | C45 | 65.9° | 180.0° |
| C26 | C25 | C24 | H24 | 102.8° | 59.9° |
| C26 | C25 | C24 | H24A | 17.2° | 60.0° |
| C26 | C25 | H25 | H25A | 120.0° | 120.0° |
| C25 | C26 | H26 | H26A | 120.0° | 120.0° |
| C25 | C26 | C27 | H27 | 174.1° | 60.0° |
| C25 | C26 | C27 | H27A | 54.1° | 60.0° |
| C26 | C27 | C45 | H27 | 120.0° | 120.1° |
| C26 | C27 | C45 | H27A | 120.0° | 119.9° |
| C26 | C27 | C45 | C56 | 165.3° | 180.0° |
| C27 | C26 | C25 | H25 | 52.0° | 59.9° |
| C27 | C26 | C25 | H25A | 68.0° | 60.1° |
| C27 | C26 | H26 | H26A | 120.0° | 120.0° |
| C26 | C27 | H27 | H27A | 120.0° | 120.0° |
| C26 | C27 | C45 | H45 | 74.7° | 59.9° |
| C26 | C27 | C45 | H45A | 45.3° | 60.1° |
| C27 | C45 | C56 | H45 | 120.0° | 120.1° |
| C27 | C45 | C56 | H45A | 120.0° | 119.9° |
| C45 | C27 | C26 | H26 | 54.1° | 59.9° |
| C45 | C27 | C26 | H26A | 174.1° | 60.0° |
| C45 | C27 | H27 | H27A | 120.0° | 120.0° |
| C27 | C45 | H45 | H45A | 120.0° | 120.0° |
| C27 | C45 | C56 | H56 | 180.0° | 59.9° |
| C27 | C45 | C56 | H56A | 60.0° | 60.0° |
| C27 | C45 | C56 | H56B | 60.0° | 180.0° |
| C29 | C30 | C31 | H30 | 116.6° | 119.9° |
| C29 | C30 | O9 | HO9 | 112.0° | 60.0° |
| C30 | C29 | H29 | H29A | 117.6° | 120.0° |
| C29 | C30 | C31 | H31 | 77.6° | 65.1° |
| C29 | C30 | C31 | H31A | 43.0° | 55.0° |
| C31 | C30 | O9 | HO9 | 15.4° | 60.0° |
| C31 | C30 | C29 | H29 | 150.8° | 55.0° |
| C31 | C30 | C29 | H29A | 32.3° | 65.0° |
| C30 | C31 | H31 | H31A | 120.9° | 120.1° |
| C32 | C33 | C34 | H33 | 112.7° | 120.0° |
| C33 | C32 | H32 | H32A | 119.5° | 120.0° |
| C32 | C33 | C34 | H34 | 158.2° | 65.0° |
| C32 | C33 | C34 | H34A | 80.4° | 55.0° |
| C34 | C33 | C32 | H32 | 53.7° | 55.0° |
| C34 | C33 | C32 | H32A | 65.9° | 65.0° |
| C33 | C34 | H34 | H34A | 121.9° | 120.0° |
| C35 | C36 | C37 | H36 | 120.5° | 119.9° |
| C35 | C36 | C37 | H36A | 120.6° | 120.0° |
| C35 | C36 | C37 | C38 | 151.3° | 180.0° |
| C35 | C36 | H36 | H36A | 118.3° | 120.0° |
| C35 | C36 | C37 | H37 | 88.5° | 60.0° |
| C35 | C36 | C37 | H37A | 31.2° | 60.0° |
| C36 | C37 | C38 | H37 | 120.2° | 119.9° |
| C36 | C37 | C38 | H37A | 120.1° | 120.0° |
| C36 | C37 | C38 | C39 | 177.7° | 180.0° |
| C37 | C36 | H36 | H36A | 118.3° | 120.0° |
| C36 | C37 | H37 | H37A | 119.6° | 120.0° |
| C36 | C37 | C38 | H38 | 57.3° | 60.0° |
| C36 | C37 | C38 | H38A | 61.9° | 59.9° |
| C37 | C38 | C39 | H38 | 120.4° | 120.0° |
| C37 | C38 | C39 | H38A | 120.4° | 120.1° |
| C37 | C38 | C39 | C40 | 56.0° | 180.0° |
| C38 | C37 | C36 | H36 | 30.8° | 60.1° |
| C38 | C37 | C36 | H36A | 88.1° | 60.0° |
| C38 | C37 | H37 | H37A | 119.6° | 120.1° |
| C37 | C38 | H38 | H38A | 118.7° | 120.0° |
| C37 | C38 | C39 | H39 | 176.1° | 60.0° |
| C37 | C38 | C39 | H39A | 64.0° | 60.0° |
| C38 | C39 | C40 | H39 | 120.0° | 120.0° |
| C38 | C39 | C40 | H39A | 120.0° | 120.0° |
| C38 | C39 | C40 | C41 | 160.5° | 180.0° |
| C39 | C38 | C37 | H37 | 62.1° | 60.1° |
| C39 | C38 | C37 | H37A | 57.6° | 60.0° |
| C39 | C38 | H38 | H38A | 118.6° | 120.0° |
| C38 | C39 | H39 | H39A | 119.9° | 119.9° |
| C38 | C39 | C40 | H40 | 79.3° | 60.0° |
| C38 | C39 | C40 | H40A | 40.2° | 60.0° |
| C39 | C40 | C41 | H40 | 120.3° | 120.0° |
| C39 | C40 | C41 | H40A | 120.2° | 120.0° |
| C39 | C40 | C41 | C42 | 97.9° | 180.0° |
| C40 | C39 | C38 | H38 | 64.4° | 60.0° |
| C40 | C39 | C38 | H38A | 176.5° | 60.0° |
| C40 | C39 | H39 | H39A | 119.9° | 120.0° |
| C39 | C40 | H40 | H40A | 119.2° | 120.0° |
| C39 | C40 | C41 | H41 | 21.6° | 60.0° |
| C39 | C40 | C41 | H41A | 142.5° | 60.0° |
| C40 | C41 | C42 | H41 | 119.6° | 120.0° |
| C40 | C41 | C42 | H41A | 119.6° | 120.1° |
| C40 | C41 | C42 | C43 | 176.8° | 180.0° |
| C41 | C40 | C39 | H39 | 40.4° | 60.0° |
| C41 | C40 | C39 | H39A | 79.5° | 60.0° |
| C41 | C40 | H40 | H40A | 119.2° | 120.0° |
| C40 | C41 | H41 | H41A | 121.2° | 120.1° |
| C40 | C41 | C42 | H42 | 56.3° | 60.0° |
| C40 | C41 | C42 | H42A | 62.8° | 60.0° |
| C41 | C42 | C43 | H42 | 120.5° | 119.9° |
| C41 | C42 | C43 | H42A | 120.5° | 120.0° |
| C41 | C42 | C43 | C44 | 149.0° | 127.6° |
| C42 | C41 | C40 | H40 | 141.8° | 60.0° |
| C42 | C41 | C40 | H40A | 22.3° | 60.0° |
| C42 | C41 | H41 | H41A | 121.2° | 120.0° |
| C41 | C42 | H42 | H42A | 118.5° | 120.0° |
| C41 | C42 | C43 | H43 | 31.0° | 52.4° |
| C42 | C43 | C44 | H43 | 180.0° | 180.0° |
| C43 | C42 | C41 | H41 | 63.6° | 60.0° |
| C43 | C42 | C41 | H41A | 57.2° | 59.9° |
| C43 | C42 | H42 | H42A | 118.6° | 120.0° |
| C42 | C43 | C44 | H44 | 180.0° | 172.7° |
| C43 | C44 | C01 | H01 | 89.6° | 6.4° |
| C43 | C44 | C01 | H01A | 30.4° | 113.6° |
| C44 | C43 | C42 | H42 | 90.5° | 7.7° |
| C44 | C43 | C42 | H42A | 28.5° | 112.4° |
| C56 | C45 | C27 | H27 | 45.3° | 59.9° |
| C56 | C45 | C27 | H27A | 74.7° | 60.1° |
| C56 | C45 | H45 | H45A | 120.0° | 120.0° |
| C45 | C56 | H56 | H56A | 120.0° | 120.0° |
| C45 | C56 | H56 | H56B | 120.0° | 120.0° |
| C45 | C56 | H56A | H56B | 120.0° | 120.0° |
| C46 | C47 | C48 | H47 | 119.0° | 120.0° |
| C46 | C47 | C48 | H47A | 119.0° | 120.0° |
| C46 | C47 | C48 | C49 | 147.9° | 180.0° |
| C46 | C47 | H47 | H47A | 123.0° | 120.0° |
| C46 | C47 | C48 | H48 | 91.8° | 60.0° |
| C46 | C47 | C48 | H48A | 27.6° | 60.0° |
| C47 | C48 | C49 | H48 | 120.3° | 120.1° |
| C47 | C48 | C49 | H48A | 120.3° | 119.9° |
| C47 | C48 | C49 | C50 | 108.7° | 180.0° |
| C48 | C47 | H47 | H47A | 123.0° | 120.0° |
| C47 | C48 | H48 | H48A | 119.1° | 120.0° |
| C47 | C48 | C49 | H49 | 11.3° | 59.9° |
| C47 | C48 | C49 | H49A | 131.3° | 60.1° |
| C48 | C49 | C50 | H49 | 120.0° | 120.1° |
| C48 | C49 | C50 | H49A | 120.0° | 119.9° |
| C48 | C49 | C50 | C51 | 162.6° | 180.0° |
| C49 | C48 | C47 | H47 | 29.0° | 60.0° |
| C49 | C48 | C47 | H47A | 93.1° | 60.0° |
| C49 | C48 | H48 | H48A | 119.1° | 120.0° |
| C48 | C49 | H49 | H49A | 120.0° | 120.0° |
| C48 | C49 | C50 | H50 | 77.7° | 60.0° |
| C48 | C49 | C50 | H50A | 43.0° | 60.1° |
| C49 | C50 | C51 | H50 | 119.7° | 120.0° |
| C49 | C50 | C51 | H50A | 119.6° | 119.9° |
| C49 | C50 | C51 | C52 | 64.2° | 180.0° |
| C50 | C49 | C48 | H48 | 131.0° | 59.9° |
| C50 | C49 | C48 | H48A | 11.6° | 60.1° |
| C50 | C49 | H49 | H49A | 120.0° | 120.0° |
| C49 | C50 | H50 | H50A | 121.0° | 120.0° |
| C49 | C50 | C51 | H51 | 176.1° | 60.0° |
| C49 | C50 | C51 | H51A | 55.5° | 60.0° |
| C50 | C51 | C52 | H51 | 119.7° | 120.0° |
| C50 | C51 | C52 | H51A | 119.7° | 120.0° |
| C50 | C51 | C52 | C53 | 117.5° | 180.0° |
| C51 | C50 | C49 | H49 | 42.7° | 60.0° |
| C51 | C50 | C49 | H49A | 77.4° | 60.0° |
| C51 | C50 | H50 | H50A | 121.0° | 120.0° |
| C50 | C51 | H51 | H51A | 120.8° | 120.0° |
| C50 | C51 | C52 | H52 | 2.5° | 60.0° |
| C50 | C51 | C52 | H52A | 122.5° | 60.0° |
| C51 | C52 | C53 | H52 | 120.0° | 120.0° |
| C51 | C52 | C53 | H52A | 120.0° | 120.0° |
| C51 | C52 | C53 | C54 | 118.5° | 180.0° |
| C52 | C51 | C50 | H50 | 55.5° | 60.0° |
| C52 | C51 | C50 | H50A | 176.1° | 60.0° |
| C52 | C51 | H51 | H51A | 120.8° | 120.0° |
| C51 | C52 | H52 | H52A | 119.9° | 120.0° |
| C51 | C52 | C53 | H53 | 121.6° | 60.0° |
| C51 | C52 | C53 | H53A | 1.3° | 60.0° |
| C52 | C53 | C54 | H53 | 119.9° | 119.9° |
| C52 | C53 | C54 | H53A | 119.9° | 119.9° |
| C52 | C53 | C54 | C55 | 63.3° | 126.8° |
| C53 | C52 | C51 | H51 | 122.8° | 60.0° |
| C53 | C52 | C51 | H51A | 2.3° | 60.0° |
| C53 | C52 | H52 | H52A | 119.9° | 120.0° |
| C52 | C53 | H53 | H53A | 120.4° | 120.0° |
| C52 | C53 | C54 | H54 | 116.7° | 53.2° |
| C53 | C54 | C55 | H54 | 180.0° | 179.9° |
| C54 | C53 | C52 | H52 | 1.5° | 60.0° |
| C54 | C53 | C52 | H52A | 121.4° | 60.0° |
| C54 | C53 | H53 | H53A | 120.4° | 120.1° |
| C53 | C54 | C55 | H55 | 180.0° | 172.2° |
| C54 | C55 | C09 | H09 | 90.1° | 6.8° |
| C54 | C55 | C09 | H09A | 29.8° | 113.2° |
| C55 | C54 | C53 | H53 | 56.6° | 6.9° |
| C55 | C54 | C53 | H53A | 176.9° | 113.2° |
| C57 | C58 | C59 | H58 | 180.0° | 180.0° |
| C57 | C58 | C59 | C60 | 121.6° | 126.4° |
| C58 | C57 | C7 | H7 | 40.5° | 7.6° |
| C58 | C57 | C7 | H7A | 79.5° | 112.3° |
| C57 | C58 | C59 | H59 | 118.4° | 113.6° |
| C57 | C58 | C59 | H59A | 1.6° | 6.4° |
| C58 | C59 | C60 | H59 | 120.0° | 120.0° |
| C58 | C59 | C60 | H59A | 120.0° | 120.0° |
| C58 | C59 | C60 | C61 | 153.4° | 180.0° |
| C59 | C58 | C57 | H57 | 180.0° | 172.7° |
| C58 | C59 | H59 | H59A | 120.0° | 120.0° |
| C58 | C59 | C60 | H60 | 86.6° | 60.0° |
| C58 | C59 | C60 | H60A | 33.4° | 60.0° |
| C59 | C60 | C61 | H60 | 120.0° | 120.0° |
| C59 | C60 | C61 | H60A | 120.0° | 120.0° |
| C59 | C60 | C61 | C62 | 67.4° | 180.0° |
| C60 | C59 | C58 | H58 | 58.4° | 53.6° |
| C60 | C59 | H59 | H59A | 120.0° | 120.0° |
| C59 | C60 | H60 | H60A | 120.0° | 120.0° |
| C59 | C60 | C61 | H61 | 172.6° | 60.0° |
| C59 | C60 | C61 | H61A | 52.6° | 60.0° |
| C60 | C61 | C62 | H61 | 120.0° | 120.0° |
| C60 | C61 | C62 | H61A | 120.0° | 120.0° |
| C60 | C61 | C62 | C63 | 156.5° | 180.0° |
| C61 | C60 | C59 | H59 | 33.3° | 60.0° |
| C61 | C60 | C59 | H59A | 86.6° | 60.0° |
| C61 | C60 | H60 | H60A | 120.0° | 120.0° |
| C60 | C61 | H61 | H61A | 120.0° | 120.0° |
| C60 | C61 | C62 | H62 | 83.5° | 60.0° |
| C60 | C61 | C62 | H62A | 36.5° | 60.0° |
| C61 | C62 | C63 | H62 | 120.0° | 120.1° |
| C61 | C62 | C63 | H62A | 120.0° | 120.0° |
| C61 | C62 | C63 | C64 | 87.2° | NaN° |
| C62 | C61 | C60 | H60 | 52.6° | 60.0° |
| C62 | C61 | C60 | H60A | 172.6° | 60.0° |
| C62 | C61 | H61 | H61A | 120.0° | 120.0° |
| C61 | C62 | H62 | H62A | 120.0° | 120.0° |
| C61 | C62 | C63 | H63 | 152.8° | 59.9° |
| C61 | C62 | C63 | H63A | 32.8° | 60.0° |
| C62 | C63 | C64 | H63 | 120.0° | 120.0° |
| C62 | C63 | C64 | H63A | 120.0° | 120.0° |
| C62 | C63 | C64 | C65 | 104.5° | 180.0° |
| C63 | C62 | C61 | H61 | 36.5° | 60.0° |
| C63 | C62 | C61 | H61A | 83.5° | 60.0° |
| C63 | C62 | H62 | H62A | 120.0° | 119.9° |
| C62 | C63 | H63 | H63A | 120.0° | 119.9° |
| C62 | C63 | C64 | H64 | 15.5° | 60.0° |
| C62 | C63 | C64 | H64A | 135.5° | 60.0° |
| C63 | C64 | C65 | H64 | 120.0° | 120.0° |
| C63 | C64 | C65 | H64A | 120.0° | 120.0° |
| C63 | C64 | C65 | C66 | 126.2° | 180.0° |
| C64 | C63 | C62 | H62 | 32.9° | 59.9° |
| C64 | C63 | C62 | H62A | 152.8° | 60.0° |
| C64 | C63 | H63 | H63A | 120.0° | 120.0° |
| C63 | C64 | H64 | H64A | 120.0° | 120.0° |
| C63 | C64 | C65 | H65 | 6.2° | 60.0° |
| C63 | C64 | C65 | H65A | 113.8° | 60.0° |
| C64 | C65 | C66 | H65 | 120.0° | 119.9° |
| C64 | C65 | C66 | H65A | 120.0° | 120.0° |
| C65 | C64 | C63 | H63 | 135.5° | 60.0° |
| C65 | C64 | C63 | H63A | 15.5° | 60.0° |
| C65 | C64 | H64 | H64A | 120.0° | 120.0° |
| C64 | C65 | H65 | H65A | 120.0° | 120.0° |
| C64 | C65 | C66 | H66 | 180.0° | 60.1° |
| C64 | C65 | C66 | H66A | 60.0° | 60.0° |
| C64 | C65 | C66 | H66B | 60.0° | 180.0° |
| C66 | C65 | C64 | H64 | 113.8° | 60.1° |
| C66 | C65 | C64 | H64A | 6.2° | 60.0° |
| C66 | C65 | H65 | H65A | 120.0° | 120.1° |
| C65 | C66 | H66 | H66A | 120.0° | 120.1° |
| C65 | C66 | H66 | H66B | 120.0° | 120.0° |
| C65 | C66 | H66A | H66B | 120.0° | 120.0° |
| C67 | C68 | C69 | H68 | 120.0° | 120.0° |
| C67 | C68 | C69 | H68A | 120.0° | 120.0° |
| C67 | C68 | C69 | C70 | 179.7° | 126.3° |
| C68 | C67 | C22 | H22 | 66.8° | 60.0° |
| C68 | C67 | C22 | H22A | 53.2° | 60.0° |
| C68 | C67 | H67 | H67A | 120.0° | 120.0° |
| C67 | C68 | H68 | H68A | 120.0° | 120.0° |
| C67 | C68 | C69 | H69 | 0.3° | 53.6° |
| C68 | C69 | C70 | H69 | 180.0° | 179.9° |
| C68 | C69 | C70 | C71 | 0.0° | 7.4° |
| C69 | C68 | C67 | H67 | 57.6° | 60.0° |
| C69 | C68 | C67 | H67A | 62.5° | 60.0° |
| C69 | C68 | H68 | H68A | 120.0° | 120.0° |
| C68 | C69 | C70 | H70 | 180.0° | 172.7° |
| C69 | C70 | C71 | H70 | 180.0° | 179.9° |
| C69 | C70 | C71 | C72 | 120.1° | 127.6° |
| C70 | C69 | C68 | H68 | 59.7° | 6.4° |
| C70 | C69 | C68 | H68A | 60.3° | 113.7° |
| C69 | C70 | C71 | H71 | 0.1° | 112.5° |
| C69 | C70 | C71 | H71A | 119.9° | 7.5° |
| C70 | C71 | C72 | H71 | 120.0° | 119.9° |
| C70 | C71 | C72 | H71A | 120.0° | 120.1° |
| C70 | C71 | C72 | C73 | 160.0° | 179.9° |
| C71 | C70 | C69 | H69 | 180.0° | 172.7° |
| C70 | C71 | H71 | H71A | 120.0° | 120.0° |
| C70 | C71 | C72 | H72 | 80.0° | 60.0° |
| C70 | C71 | C72 | H72A | 40.0° | 60.0° |
| C71 | C72 | C73 | H72 | 120.0° | 120.0° |
| C71 | C72 | C73 | H72A | 120.0° | 120.0° |
| C71 | C72 | C73 | C74 | 179.0° | 180.0° |
| C72 | C71 | C70 | H70 | 59.9° | 52.3° |
| C72 | C71 | H71 | H71A | 120.0° | 120.0° |
| C71 | C72 | H72 | H72A | 120.0° | 120.0° |
| C71 | C72 | C73 | H73 | 59.0° | 60.0° |
| C71 | C72 | C73 | H73A | 61.0° | 60.0° |
| C72 | C73 | C74 | H73 | 120.0° | 120.1° |
| C72 | C73 | C74 | H73A | 120.0° | 120.0° |
| C72 | C73 | C74 | C75 | 179.6° | 179.9° |
| C73 | C72 | C71 | H71 | 40.0° | 60.0° |
| C73 | C72 | C71 | H71A | 80.0° | 60.0° |
| C73 | C72 | H72 | H72A | 120.0° | 119.9° |
| C72 | C73 | H73 | H73A | 120.0° | 120.0° |
| C72 | C73 | C74 | H74 | 60.4° | 59.9° |
| C72 | C73 | C74 | H74A | 59.6° | 60.0° |
| C73 | C74 | C75 | H74 | 120.0° | 120.0° |
| C73 | C74 | C75 | H74A | 120.0° | 120.0° |
| C73 | C74 | C75 | C76 | 179.9° | 180.0° |
| C74 | C73 | C72 | H72 | 61.0° | 59.9° |
| C74 | C73 | C72 | H72A | 59.0° | 60.0° |
| C74 | C73 | H73 | H73A | 120.1° | 119.9° |
| C73 | C74 | H74 | H74A | 120.0° | 119.9° |
| C73 | C74 | C75 | H75 | 59.9° | 60.0° |
| C73 | C74 | C75 | H75A | 60.1° | 60.0° |
| C74 | C75 | C76 | H75 | 120.0° | 119.9° |
| C74 | C75 | C76 | H75A | 120.0° | 120.1° |
| C74 | C75 | C76 | C77 | 60.1° | 180.0° |
| C75 | C74 | C73 | H73 | 59.6° | 60.0° |
| C75 | C74 | C73 | H73A | 60.4° | 60.0° |
| C75 | C74 | H74 | H74A | 120.0° | 120.0° |
| C74 | C75 | H75 | H75A | 120.0° | 120.0° |
| C74 | C75 | C76 | H76 | 59.8° | 60.0° |
| C74 | C75 | C76 | H76A | 179.9° | 60.0° |
| C75 | C76 | C77 | H76 | 120.0° | 120.0° |
| C75 | C76 | C77 | H76A | 120.0° | 120.0° |
| C75 | C76 | C77 | C78 | 131.9° | 180.0° |
| C76 | C75 | C74 | H74 | 60.1° | 60.0° |
| C76 | C75 | C74 | H74A | 59.9° | 60.0° |
| C76 | C75 | H75 | H75A | 120.0° | 120.0° |
| C75 | C76 | H76 | H76A | 120.1° | 120.0° |
| C75 | C76 | C77 | H77 | 12.0° | 60.0° |
| C75 | C76 | C77 | H77A | 108.1° | 60.0° |
| C76 | C77 | C78 | H77 | 120.0° | 120.0° |
| C76 | C77 | C78 | H77A | 120.0° | 120.0° |
| C77 | C76 | C75 | H75 | 179.9° | 60.0° |
| C77 | C76 | C75 | H75A | 59.8° | 60.0° |
| C77 | C76 | H76 | H76A | 120.0° | 120.0° |
| C76 | C77 | H77 | H77A | 120.0° | 120.0° |
| C76 | C77 | C78 | H3 | 180.0° | 59.9° |
| C76 | C77 | C78 | H5 | 60.0° | 60.0° |
| C76 | C77 | C78 | H4 | 60.0° | 180.0° |
| C78 | C77 | C76 | H76 | 108.1° | 60.0° |
| C78 | C77 | C76 | H76A | 11.9° | 60.0° |
| C78 | C77 | H77 | H77A | 120.0° | 120.0° |
| C77 | C78 | H3 | H5 | 120.0° | 119.9° |
| C77 | C78 | H3 | H4 | 120.0° | 120.0° |
| C77 | C78 | H5 | H4 | 120.0° | 120.0° |
| H7 | C7 | C8 | H8 | 56.6° | 60.0° |
| H7 | C7 | C8 | H8A | 62.9° | 180.0° |
| H7 | C7 | C57 | H57 | 139.5° | 172.4° |
| H7A | C7 | C8 | H8 | 63.4° | NaN° |
| H7A | C7 | C8 | H8A | 177.2° | 60.0° |
| H7A | C7 | C57 | H57 | 100.5° | 67.6° |
| H8 | C8 | C9 | H9 | 99.3° | 180.0° |
| H8 | C8 | C9 | H9A | 141.0° | 60.1° |
| H8A | C8 | C9 | H9 | 20.1° | 60.0° |
| H8A | C8 | C9 | H9A | 99.6° | 180.0° |
| H9 | C9 | C10 | H10 | 120.7° | 180.0° |
| H9 | C9 | C10 | H10A | 1.3° | 60.0° |
| H9A | C9 | C10 | H10 | 119.6° | 60.0° |
| H9A | C9 | C10 | H10A | 121.0° | 180.0° |
| HO9 | O9 | C30 | H30 | 129.7° | 180.0° |
| H01 | C01 | C02 | H02 | 8.5° | 60.0° |
| H01 | C01 | C02 | H02A | 128.5° | 180.0° |
| H01 | C01 | C44 | H44 | 90.4° | 173.6° |
| H01A | C01 | C02 | H02 | 128.5° | 180.0° |
| H01A | C01 | C02 | H02A | 111.5° | 60.0° |
| H01A | C01 | C44 | H44 | 149.6° | 66.4° |
| H02 | C02 | C03 | H03 | 179.6° | 180.0° |
| H02 | C02 | C03 | H03A | 59.6° | 60.0° |
| H02A | C02 | C03 | H03 | 60.5° | 60.0° |
| H02A | C02 | C03 | H03A | 179.5° | 180.0° |
| H03 | C03 | C04 | H04 | 59.7° | 179.9° |
| H03 | C03 | C04 | H04A | 179.7° | 60.0° |
| H03A | C03 | C04 | H04 | 60.4° | 59.9° |
| H03A | C03 | C04 | H04A | 59.7° | 180.0° |
| H04 | C04 | C05 | H05 | 64.4° | 180.0° |
| H04 | C04 | C05 | H05A | 55.6° | 60.0° |
| H04A | C04 | C05 | H05 | 175.6° | 60.0° |
| H04A | C04 | C05 | H05A | 64.4° | 180.0° |
| H05 | C05 | C06 | H06 | 147.1° | 180.0° |
| H05 | C05 | C06 | H06A | 92.9° | 60.0° |
| H05A | C05 | C06 | H06 | 27.1° | 60.0° |
| H05A | C05 | C06 | H06A | 147.2° | 180.0° |
| H06 | C06 | C07 | H07 | 172.1° | 180.0° |
| H06 | C06 | C07 | H07A | 52.1° | 60.0° |
| H06A | C06 | C07 | H07 | 67.9° | 59.9° |
| H06A | C06 | C07 | H07A | 172.1° | 180.0° |
| H07 | C07 | C08 | H08 | 60.0° | 179.9° |
| H07 | C07 | C08 | H08A | 180.0° | 60.0° |
| H07 | C07 | C08 | H08B | 60.0° | 60.1° |
| H07A | C07 | C08 | H08 | 60.0° | 60.0° |
| H07A | C07 | C08 | H08A | 60.0° | 180.0° |
| H07A | C07 | C08 | H08B | 180.0° | 60.0° |
| H08 | C08 | H08A | H08B | 120.0° | 120.0° |
| H09 | C09 | C23 | H23 | 175.2° | 60.0° |
| H09 | C09 | C23 | H23A | 64.8° | 180.0° |
| H09 | C09 | C55 | H55 | 89.9° | 173.2° |
| H09A | C09 | C23 | H23 | 64.8° | 180.0° |
| H09A | C09 | C23 | H23A | 55.2° | 60.0° |
| H09A | C09 | C55 | H55 | 150.2° | 66.8° |
| H10 | C10 | C11 | H11 | 147.7° | 180.0° |
| H10 | C10 | C11 | H11A | 27.4° | 60.0° |
| H10A | C10 | C11 | H11 | 93.0° | 60.0° |
| H10A | C10 | C11 | H11A | 146.8° | 180.0° |
| H11 | C11 | C12 | H12 | 49.3° | 179.9° |
| H11 | C11 | C12 | H12A | 169.0° | 60.0° |
| H11A | C11 | C12 | H12 | 70.9° | 60.0° |
| H11A | C11 | C12 | H12A | 48.7° | 180.0° |
| H12 | C12 | C13 | H13 | 149.4° | 180.0° |
| H12 | C12 | C13 | H13A | 28.5° | 59.9° |
| H12A | C12 | C13 | H13 | 91.0° | 60.0° |
| H12A | C12 | C13 | H13A | 148.1° | 180.0° |
| H15 | C15 | C16 | H16 | 139.4° | 175.0° |
| H15 | C15 | C16 | H16A | 99.2° | 65.0° |
| H15 | C15 | C28 | H28 | 43.9° | 65.0° |
| H15 | C15 | C28 | H28A | 164.0° | 175.0° |
| H18 | C18 | C19 | H19 | 158.0° | 180.0° |
| H18 | C18 | C19 | H19A | 82.7° | 60.0° |
| H18A | C18 | C19 | H19 | 37.5° | 60.0° |
| H18A | C18 | C19 | H19A | 156.8° | 180.0° |
| H19 | C19 | C20 | H20 | 78.5° | 180.0° |
| H19 | C19 | C20 | H20A | 161.6° | 60.0° |
| H19A | C19 | C20 | H20 | 40.8° | 60.0° |
| H19A | C19 | C20 | H20A | 79.1° | 180.0° |
| H20 | C20 | C21 | H21 | 171.5° | 180.0° |
| H20 | C20 | C21 | H21A | 51.1° | 60.1° |
| H20A | C20 | C21 | H21 | 68.6° | 60.1° |
| H20A | C20 | C21 | H21A | 171.0° | 180.0° |
| H21 | C21 | C22 | H22 | 163.6° | NaN° |
| H21 | C21 | C22 | H22A | 76.4° | 60.1° |
| H21A | C21 | C22 | H22 | 43.2° | 60.0° |
| H21A | C21 | C22 | H22A | 163.2° | 180.0° |
| H22 | C22 | C67 | H67 | 173.2° | 180.0° |
| H22 | C22 | C67 | H67A | 53.2° | 60.0° |
| H22A | C22 | C67 | H67 | 66.8° | 60.0° |
| H22A | C22 | C67 | H67A | 173.2° | 179.9° |
| H23 | C23 | C24 | H24 | 117.2° | 180.0° |
| H23 | C23 | C24 | H24A | 2.8° | 60.0° |
| H23A | C23 | C24 | H24 | 122.8° | 60.0° |
| H23A | C23 | C24 | H24A | 117.2° | 180.0° |
| H24 | C24 | C25 | H25 | 137.1° | 180.0° |
| H24 | C24 | C25 | H25A | 17.2° | 60.0° |
| H24A | C24 | C25 | H25 | 102.9° | 60.0° |
| H24A | C24 | C25 | H25A | 137.2° | 180.0° |
| H25 | C25 | C26 | H26 | 172.0° | 180.0° |
| H25 | C25 | C26 | H26A | 68.0° | 60.0° |
| H25A | C25 | C26 | H26 | 52.0° | 60.0° |
| H25A | C25 | C26 | H26A | 172.0° | 180.0° |
| H26 | C26 | C27 | H27 | 65.9° | 180.0° |
| H26 | C26 | C27 | H27A | 174.1° | 60.0° |
| H26A | C26 | C27 | H27 | 54.1° | 60.0° |
| H26A | C26 | C27 | H27A | 65.9° | 180.0° |
| H27 | C27 | C45 | H45 | 165.2° | 180.0° |
| H27 | C27 | C45 | H45A | 74.7° | 60.0° |
| H27A | C27 | C45 | H45 | 45.3° | 60.0° |
| H27A | C27 | C45 | H45A | 165.3° | 180.0° |
| H29 | C29 | C30 | H30 | 34.1° | 65.0° |
| H29A | C29 | C30 | H30 | 84.4° | 175.0° |
| H30 | C30 | C31 | H31 | 165.8° | 175.0° |
| H30 | C30 | C31 | H31A | 73.6° | 64.9° |
| H32 | C32 | C33 | H33 | 58.9° | 65.0° |
| H32A | C32 | C33 | H33 | 178.5° | 175.0° |
| H33 | C33 | C34 | H34 | 45.5° | 175.0° |
| H33 | C33 | C34 | H34A | 166.9° | 65.1° |
| H36 | C36 | C37 | H37 | 151.0° | 180.0° |
| H36 | C36 | C37 | H37A | 89.3° | 60.0° |
| H36A | C36 | C37 | H37 | 32.1° | 60.0° |
| H36A | C36 | C37 | H37A | 151.8° | 180.0° |
| H37 | C37 | C38 | H38 | 177.4° | 180.0° |
| H37 | C37 | C38 | H38A | 58.3° | 60.0° |
| H37A | C37 | C38 | H38 | 62.9° | 60.0° |
| H37A | C37 | C38 | H38A | 178.0° | 179.9° |
| H38 | C38 | C39 | H39 | 55.6° | 180.0° |
| H38 | C38 | C39 | H39A | 175.5° | 60.0° |
| H38A | C38 | C39 | H39 | 63.5° | 60.1° |
| H38A | C38 | C39 | H39A | 56.4° | 180.0° |
| H39 | C39 | C40 | H40 | 160.7° | 180.0° |
| H39 | C39 | C40 | H40A | 79.8° | 60.0° |
| H39A | C39 | C40 | H40 | 40.8° | 60.0° |
| H39A | C39 | C40 | H40A | 160.3° | 180.0° |
| H40 | C40 | C41 | H41 | 98.6° | 179.9° |
| H40 | C40 | C41 | H41A | 22.2° | 60.0° |
| H40A | C40 | C41 | H41 | 141.9° | 59.9° |
| H40A | C40 | C41 | H41A | 97.3° | 180.0° |
| H41 | C41 | C42 | H42 | 175.9° | 180.0° |
| H41 | C41 | C42 | H42A | 56.8° | 60.0° |
| H41A | C41 | C42 | H42 | 63.3° | 60.0° |
| H41A | C41 | C42 | H42A | 177.7° | 180.0° |
| H42 | C42 | C43 | H43 | 89.4° | 172.3° |
| H42A | C42 | C43 | H43 | 151.5° | 67.6° |
| H43 | C43 | C44 | H44 | 0.0° | 7.3° |
| H45 | C45 | C56 | H56 | 60.0° | 180.0° |
| H45 | C45 | C56 | H56A | 180.0° | 60.0° |
| H45 | C45 | C56 | H56B | 60.0° | 59.9° |
| H45A | C45 | C56 | H56 | 60.0° | 60.0° |
| H45A | C45 | C56 | H56A | 60.0° | 180.0° |
| H45A | C45 | C56 | H56B | 180.0° | 60.1° |
| H47 | C47 | C48 | H48 | 149.3° | 180.0° |
| H47 | C47 | C48 | H48A | 91.3° | 60.0° |
| H47A | C47 | C48 | H48 | 27.2° | 60.0° |
| H47A | C47 | C48 | H48A | 146.6° | 180.0° |
| H48 | C48 | C49 | H49 | 109.0° | 180.0° |
| H48 | C48 | C49 | H49A | 11.0° | 60.0° |
| H48A | C48 | C49 | H49 | 131.6° | 60.0° |
| H48A | C48 | C49 | H49A | 108.4° | NaN° |
| H49 | C49 | C50 | H50 | 162.3° | 180.0° |
| H49 | C49 | C50 | H50A | 77.0° | 60.0° |
| H49A | C49 | C50 | H50 | 42.3° | 60.0° |
| H49A | C49 | C50 | H50A | 163.0° | 180.0° |
| H50 | C50 | C51 | H51 | 64.3° | NaN° |
| H50 | C50 | C51 | H51A | 175.2° | 60.0° |
| H50A | C50 | C51 | H51 | 56.4° | 60.0° |
| H50A | C50 | C51 | H51A | 64.1° | 180.0° |
| H51 | C51 | C52 | H52 | 117.2° | 180.0° |
| H51 | C51 | C52 | H52A | 2.8° | 60.0° |
| H51A | C51 | C52 | H52 | 122.3° | 60.0° |
| H51A | C51 | C52 | H52A | 117.8° | 180.0° |
| H52 | C52 | C53 | H53 | 118.4° | 180.0° |
| H52 | C52 | C53 | H53A | 121.3° | 60.0° |
| H52A | C52 | C53 | H53 | 1.6° | 60.0° |
| H52A | C52 | C53 | H53A | 118.7° | 180.0° |
| H53 | C53 | C54 | H54 | 123.4° | 173.2° |
| H53A | C53 | C54 | H54 | 3.1° | 66.7° |
| H54 | C54 | C55 | H55 | 0.0° | 7.9° |
| H56 | C56 | H56A | H56B | 120.0° | 120.0° |
| H57 | C57 | C58 | H58 | 0.0° | 7.3° |
| H58 | C58 | C59 | H59 | 61.7° | 66.3° |
| H58 | C58 | C59 | H59A | 178.4° | 173.6° |
| H59 | C59 | C60 | H60 | 153.3° | 180.0° |
| H59 | C59 | C60 | H60A | 86.6° | 60.0° |
| H59A | C59 | C60 | H60 | 33.4° | 59.9° |
| H59A | C59 | C60 | H60A | 153.4° | 180.0° |
| H60 | C60 | C61 | H61 | 67.4° | NaN° |
| H60 | C60 | C61 | H61A | 172.6° | 60.0° |
| H60A | C60 | C61 | H61 | 52.6° | 60.0° |
| H60A | C60 | C61 | H61A | 67.4° | 180.0° |
| H61 | C61 | C62 | H62 | 156.5° | 180.0° |
| H61 | C61 | C62 | H62A | 83.5° | 60.0° |
| H61A | C61 | C62 | H62 | 36.5° | 60.0° |
| H61A | C61 | C62 | H62A | 156.5° | 180.0° |
| H62 | C62 | C63 | H63 | 87.1° | 180.0° |
| H62 | C62 | C63 | H63A | 152.9° | 60.1° |
| H62A | C62 | C63 | H63 | 32.8° | 60.1° |
| H62A | C62 | C63 | H63A | 87.2° | 180.0° |
| H63 | C63 | C64 | H64 | 104.5° | 180.0° |
| H63 | C63 | C64 | H64A | 15.5° | 60.0° |
| H63A | C63 | C64 | H64 | 135.5° | 60.0° |
| H63A | C63 | C64 | H64A | 104.5° | 180.0° |
| H64 | C64 | C65 | H65 | 126.2° | 180.0° |
| H64 | C64 | C65 | H65A | 6.2° | 60.0° |
| H64A | C64 | C65 | H65 | 113.8° | 60.0° |
| H64A | C64 | C65 | H65A | 126.2° | 180.0° |
| H65 | C65 | C66 | H66 | 60.0° | 180.0° |
| H65 | C65 | C66 | H66A | 180.0° | 59.9° |
| H65 | C65 | C66 | H66B | 60.0° | 60.1° |
| H65A | C65 | C66 | H66 | 60.0° | 59.9° |
| H65A | C65 | C66 | H66A | 60.0° | 180.0° |
| H65A | C65 | C66 | H66B | 180.0° | 60.0° |
| H66 | C66 | H66A | H66B | 120.0° | 120.0° |
| H67 | C67 | C68 | H68 | 177.6° | 180.0° |
| H67 | C67 | C68 | H68A | 62.4° | 60.0° |
| H67A | C67 | C68 | H68 | 57.5° | 60.0° |
| H67A | C67 | C68 | H68A | 177.5° | 180.0° |
| H68 | C68 | C69 | H69 | 120.3° | 173.5° |
| H68A | C68 | C69 | H69 | 119.7° | 66.4° |
| H69 | C69 | C70 | H70 | 0.0° | 7.2° |
| H70 | C70 | C71 | H71 | 179.9° | 67.7° |
| H70 | C70 | C71 | H71A | 60.1° | 172.4° |
| H71 | C71 | C72 | H72 | 160.0° | 180.0° |
| H71 | C71 | C72 | H72A | 80.0° | 59.9° |
| H71A | C71 | C72 | H72 | 40.0° | 60.0° |
| H71A | C71 | C72 | H72A | 160.0° | 179.9° |
| H72 | C72 | C73 | H73 | 179.0° | 180.0° |
| H72 | C72 | C73 | H73A | 59.0° | 60.0° |
| H72A | C72 | C73 | H73 | 61.0° | 60.0° |
| H72A | C72 | C73 | H73A | 179.0° | 180.0° |
| H73 | C73 | C74 | H74 | 179.6° | 180.0° |
| H73 | C73 | C74 | H74A | 60.4° | 60.1° |
| H73A | C73 | C74 | H74 | 59.5° | 60.1° |
| H73A | C73 | C74 | H74A | 179.6° | 179.9° |
| H74 | C74 | C75 | H75 | 179.9° | 180.0° |
| H74 | C74 | C75 | H75A | 59.9° | 60.1° |
| H74A | C74 | C75 | H75 | 60.1° | 60.0° |
| H74A | C74 | C75 | H75A | 179.9° | 180.0° |
| H75 | C75 | C76 | H76 | 60.2° | 180.0° |
| H75 | C75 | C76 | H76A | 59.9° | 60.0° |
| H75A | C75 | C76 | H76 | 179.8° | 60.0° |
| H75A | C75 | C76 | H76A | 60.1° | 180.0° |
| H76 | C76 | C77 | H77 | 131.9° | 179.9° |
| H76 | C76 | C77 | H77A | 11.9° | 60.0° |
| H76A | C76 | C77 | H77 | 108.1° | 59.9° |
| H76A | C76 | C77 | H77A | 131.9° | 180.0° |
| H77 | C77 | C78 | H3 | 60.0° | 179.9° |
| H77 | C77 | C78 | H5 | 180.0° | 60.0° |
| H77 | C77 | C78 | H4 | 60.0° | 60.0° |
| H77A | C77 | C78 | H3 | 60.0° | 60.1° |
| H77A | C77 | C78 | H5 | 60.0° | 179.9° |
| H77A | C77 | C78 | H4 | 180.0° | 60.0° |
| H3 | C78 | H5 | H4 | 120.0° | 120.0° |
