9ED
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C57 | C53 | sing | 1.53Å | 0.00Å | |
| C57 | C63 | sing | 1.51Å | 0.00Å | |
| C53 | C49 | sing | 1.53Å | 0.00Å | |
| C50 | C49 | sing | 1.53Å | 0.00Å | |
| C62 | C63 | doub | 1.31Å | 0.00Å | |
| C62 | C51 | sing | 1.51Å | 0.00Å | |
| C51 | C45 | sing | 1.53Å | 0.00Å | |
| C54 | C48 | sing | 1.53Å | 0.00Å | |
| C54 | C58 | sing | 1.53Å | 0.00Å | |
| C48 | C47 | sing | 1.53Å | 0.00Å | |
| C47 | C52 | sing | 1.53Å | 0.00Å | |
| C45 | C44 | sing | 1.53Å | 0.00Å | |
| C52 | C56 | sing | 1.53Å | 0.00Å | |
| C44 | C42 | sing | 1.53Å | 0.00Å | |
| C42 | C40 | sing | 1.53Å | 0.00Å | |
| C56 | C61 | sing | 1.51Å | 0.00Å | |
| C61 | C60 | doub | 1.31Å | 0.00Å | |
| C40 | C39 | sing | 1.53Å | 0.00Å | |
| C60 | C46 | sing | 1.51Å | 0.00Å | |
| C39 | C37 | sing | 1.53Å | 0.00Å | |
| C46 | C43 | sing | 1.53Å | 0.00Å | |
| O22 | C35 | doub | 1.21Å | 0.00Å | |
| C37 | C35 | sing | 1.51Å | 0.00Å | |
| C35 | O20 | sing | 1.34Å | 0.00Å | |
| C43 | C41 | sing | 1.53Å | 0.00Å | |
| C41 | C38 | sing | 1.53Å | 0.00Å | |
| O11 | P01 | doub | 1.48Å | 0.00Å | |
| O20 | C31 | sing | 1.45Å | 0.00Å | |
| C31 | C30 | sing | 1.53Å | 0.00Å | |
| C33 | C32 | sing | 1.51Å | 0.00Å | |
| C33 | C34 | sing | 1.53Å | 0.00Å | |
| C36 | C38 | sing | 1.53Å | 0.00Å | |
| C36 | C34 | sing | 1.53Å | 0.00Å | |
| C30 | O19 | sing | 1.45Å | 0.00Å | |
| C30 | C29 | sing | 1.53Å | 0.00Å | |
| P01 | O10 | sing | 1.61Å | 0.00Å | |
| P01 | O04 | sing | 1.61Å | 0.00Å | |
| P01 | O16 | sing | 1.61Å | 0.00Å | |
| C32 | O21 | doub | 1.21Å | 0.00Å | |
| C32 | O19 | sing | 1.34Å | 0.00Å | |
| O10 | C29 | sing | 1.43Å | 0.00Å | |
| O04 | C25 | sing | 1.43Å | 0.00Å | |
| O09 | C28 | sing | 1.43Å | 0.00Å | |
| C28 | C25 | sing | 1.53Å | 0.00Å | |
| C28 | C27 | sing | 1.53Å | 0.00Å | |
| C25 | C26 | sing | 1.53Å | 0.00Å | |
| O08 | C27 | sing | 1.43Å | 0.00Å | |
| C27 | C24 | sing | 1.53Å | 0.00Å | |
| C26 | O07 | sing | 1.43Å | 0.00Å | |
| C26 | C23 | sing | 1.53Å | 0.00Å | |
| C24 | C23 | sing | 1.53Å | 0.00Å | |
| C24 | O06 | sing | 1.43Å | 0.00Å | |
| C23 | O05 | sing | 1.43Å | 0.00Å | |
| O06 | P03 | sing | 1.61Å | 0.00Å | |
| O05 | P02 | sing | 1.61Å | 0.00Å | |
| O14 | P03 | doub | 1.48Å | 0.00Å | |
| O13 | P02 | doub | 1.48Å | 0.00Å | |
| P03 | O18 | sing | 1.61Å | 0.00Å | |
| P03 | O15 | sing | 1.61Å | 0.00Å | |
| P02 | O17 | sing | 1.61Å | 0.00Å | |
| P02 | O12 | sing | 1.61Å | 0.00Å | |
| C24 | H1 | sing | 1.09Å | 0.00Å | |
| C26 | H2 | sing | 1.09Å | 0.00Å | |
| C28 | H3 | sing | 1.09Å | 0.00Å | |
| O07 | H4 | sing | 0.97Å | 0.00Å | |
| O08 | H5 | sing | 0.97Å | 0.00Å | |
| O09 | H6 | sing | 0.97Å | 0.00Å | |
| O12 | H7 | sing | 0.97Å | 0.00Å | |
| O15 | H8 | sing | 0.97Å | 0.00Å | |
| O16 | H9 | sing | 0.97Å | 0.00Å | |
| O17 | H10 | sing | 0.97Å | 0.00Å | |
| O18 | H11 | sing | 0.97Å | 0.00Å | |
| C23 | H12 | sing | 1.09Å | 0.00Å | |
| C25 | H13 | sing | 1.09Å | 0.00Å | |
| C27 | H14 | sing | 1.09Å | 0.00Å | |
| C29 | H15 | sing | 1.09Å | 0.00Å | |
| C29 | H16 | sing | 1.09Å | 0.00Å | |
| C30 | H17 | sing | 1.09Å | 0.00Å | |
| C31 | H18 | sing | 1.09Å | 0.00Å | |
| C31 | H19 | sing | 1.09Å | 0.00Å | |
| C33 | H20 | sing | 1.09Å | 0.00Å | |
| C33 | H21 | sing | 1.09Å | 0.00Å | |
| C34 | H22 | sing | 1.09Å | 0.00Å | |
| C34 | H23 | sing | 1.09Å | 0.00Å | |
| C36 | H24 | sing | 1.09Å | 0.00Å | |
| C36 | H25 | sing | 1.09Å | 0.00Å | |
| C37 | H26 | sing | 1.09Å | 0.00Å | |
| C37 | H27 | sing | 1.09Å | 0.00Å | |
| C38 | H28 | sing | 1.09Å | 0.00Å | |
| C38 | H29 | sing | 1.09Å | 0.00Å | |
| C39 | H30 | sing | 1.09Å | 0.00Å | |
| C39 | H31 | sing | 1.09Å | 0.00Å | |
| C40 | H32 | sing | 1.09Å | 0.00Å | |
| C40 | H33 | sing | 1.09Å | 0.00Å | |
| C41 | H34 | sing | 1.09Å | 0.00Å | |
| C41 | H35 | sing | 1.09Å | 0.00Å | |
| C42 | H36 | sing | 1.09Å | 0.00Å | |
| C42 | H37 | sing | 1.09Å | 0.00Å | |
| C43 | H38 | sing | 1.09Å | 0.00Å | |
| C43 | H39 | sing | 1.09Å | 0.00Å | |
| C44 | H40 | sing | 1.09Å | 0.00Å | |
| C44 | H41 | sing | 1.09Å | 0.00Å | |
| C45 | H42 | sing | 1.09Å | 0.00Å | |
| C45 | H43 | sing | 1.09Å | 0.00Å | |
| C46 | H44 | sing | 1.09Å | 0.00Å | |
| C46 | H45 | sing | 1.09Å | 0.00Å | |
| C47 | H46 | sing | 1.09Å | 0.00Å | |
| C47 | H47 | sing | 1.09Å | 0.00Å | |
| C48 | H48 | sing | 1.09Å | 0.00Å | |
| C48 | H49 | sing | 1.09Å | 0.00Å | |
| C49 | H50 | sing | 1.09Å | 0.00Å | |
| C49 | H51 | sing | 1.09Å | 0.00Å | |
| C50 | H52 | sing | 1.09Å | 0.00Å | |
| C50 | H53 | sing | 1.09Å | 0.00Å | |
| C51 | H55 | sing | 1.09Å | 0.00Å | |
| C51 | H56 | sing | 1.09Å | 0.00Å | |
| C52 | H57 | sing | 1.09Å | 0.00Å | |
| C52 | H58 | sing | 1.09Å | 0.00Å | |
| C53 | H59 | sing | 1.09Å | 0.00Å | |
| C53 | H60 | sing | 1.09Å | 0.00Å | |
| C54 | H61 | sing | 1.09Å | 0.00Å | |
| C54 | H62 | sing | 1.09Å | 0.00Å | |
| C56 | H63 | sing | 1.09Å | 0.00Å | |
| C56 | H64 | sing | 1.09Å | 0.00Å | |
| C57 | H65 | sing | 1.09Å | 0.00Å | |
| C57 | H66 | sing | 1.09Å | 0.00Å | |
| C58 | H67 | sing | 1.09Å | 0.00Å | |
| C58 | H69 | sing | 1.09Å | 0.00Å | |
| C60 | H70 | sing | 1.08Å | 0.00Å | |
| C61 | H71 | sing | 1.08Å | 0.00Å | |
| C62 | H72 | sing | 1.08Å | 0.00Å | |
| C63 | H73 | sing | 1.08Å | 0.00Å | |
| C58 | C1 | sing | 1.53Å | 0.00Å | |
| C1 | C2 | sing | 1.53Å | 0.00Å | |
| C50 | C3 | sing | 1.53Å | 0.00Å | |
| C3 | C4 | sing | 1.53Å | 0.00Å | |
| C4 | C5 | sing | 1.53Å | 0.00Å | |
| C5 | C6 | sing | 1.53Å | 0.00Å | |
| C1 | H82 | sing | 1.09Å | 0.00Å | |
| C1 | H81 | sing | 1.09Å | 0.00Å | |
| C2 | H84 | sing | 1.09Å | 0.00Å | |
| C2 | H83 | sing | 1.09Å | 0.00Å | |
| C2 | H85 | sing | 1.09Å | 0.00Å | |
| C6 | H74 | sing | 1.09Å | 0.00Å | |
| C6 | H54 | sing | 1.09Å | 0.00Å | |
| C6 | H68 | sing | 1.09Å | 0.00Å | |
| C5 | H76 | sing | 1.09Å | 0.00Å | |
| C5 | H75 | sing | 1.09Å | 0.00Å | |
| C4 | H77 | sing | 1.09Å | 0.00Å | |
| C4 | H78 | sing | 1.09Å | 0.00Å | |
| C3 | H80 | sing | 1.09Å | 0.00Å | |
| C3 | H79 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C53 | C57 | C63 | 90.0° | 109.5° |
| C57 | C53 | C49 | 90.0° | 109.5° |
| C57 | C53 | H59 | 90.0° | 109.5° |
| C57 | C53 | H60 | 90.0° | 109.5° |
| C53 | C57 | H65 | 90.0° | 109.5° |
| C53 | C57 | H66 | 90.0° | 109.5° |
| C57 | C63 | C62 | 90.0° | 120.0° |
| C63 | C57 | H65 | 90.0° | 109.4° |
| C63 | C57 | H66 | 90.0° | 109.5° |
| C57 | C63 | H73 | 90.0° | 120.0° |
| C53 | C49 | C50 | 90.0° | 109.4° |
| C53 | C49 | H50 | 90.0° | 109.5° |
| C53 | C49 | H51 | 90.0° | 109.4° |
| C49 | C53 | H59 | 90.0° | 109.5° |
| C49 | C53 | H60 | 90.0° | 109.5° |
| C50 | C49 | H50 | 90.0° | 109.5° |
| C50 | C49 | H51 | 90.0° | 109.4° |
| C49 | C50 | H52 | 90.0° | 109.5° |
| C49 | C50 | H53 | 90.0° | 109.5° |
| C49 | C50 | C3 | 90.0° | 109.5° |
| C63 | C62 | C51 | 90.0° | 120.0° |
| C63 | C62 | H72 | 90.0° | 120.0° |
| C62 | C63 | H73 | 90.0° | 120.0° |
| C62 | C51 | C45 | 90.0° | 109.4° |
| C62 | C51 | H55 | 90.0° | 109.5° |
| C62 | C51 | H56 | 90.0° | 109.5° |
| C51 | C62 | H72 | 90.0° | 120.0° |
| C51 | C45 | C44 | 90.0° | 109.4° |
| C51 | C45 | H42 | 90.0° | 109.5° |
| C51 | C45 | H43 | 90.0° | 109.5° |
| C45 | C51 | H55 | 90.0° | 109.5° |
| C45 | C51 | H56 | 90.0° | 109.5° |
| C48 | C54 | C58 | 90.0° | 109.4° |
| C54 | C48 | C47 | 90.0° | 109.5° |
| C54 | C48 | H48 | 90.0° | 109.5° |
| C54 | C48 | H49 | 90.0° | 109.5° |
| C48 | C54 | H61 | 90.0° | 109.5° |
| C48 | C54 | H62 | 90.0° | 109.4° |
| C58 | C54 | H61 | 90.0° | 109.5° |
| C58 | C54 | H62 | 90.0° | 109.5° |
| C54 | C58 | H67 | 90.0° | 109.5° |
| C54 | C58 | H69 | 90.0° | 109.5° |
| C54 | C58 | C1 | 90.0° | 109.5° |
| C48 | C47 | C52 | 90.0° | 109.5° |
| C48 | C47 | H46 | 90.0° | 109.5° |
| C48 | C47 | H47 | 90.0° | 109.5° |
| C47 | C48 | H48 | 90.0° | 109.5° |
| C47 | C48 | H49 | 90.0° | 109.4° |
| C47 | C52 | C56 | 90.0° | 109.5° |
| C52 | C47 | H46 | 90.0° | 109.5° |
| C52 | C47 | H47 | 90.0° | 109.4° |
| C47 | C52 | H57 | 90.0° | 109.5° |
| C47 | C52 | H58 | 90.0° | 109.4° |
| C45 | C44 | C42 | 90.0° | 109.4° |
| C45 | C44 | H40 | 90.0° | 109.5° |
| C45 | C44 | H41 | 90.0° | 109.5° |
| C44 | C45 | H42 | 90.0° | 109.5° |
| C44 | C45 | H43 | 90.0° | 109.5° |
| C52 | C56 | C61 | 90.0° | 109.5° |
| C56 | C52 | H57 | 90.0° | 109.5° |
| C56 | C52 | H58 | 90.0° | 109.5° |
| C52 | C56 | H63 | 90.0° | 109.5° |
| C52 | C56 | H64 | 90.0° | 109.5° |
| C44 | C42 | C40 | 90.0° | 109.4° |
| C44 | C42 | H36 | 90.0° | 109.5° |
| C44 | C42 | H37 | 90.0° | 109.5° |
| C42 | C44 | H40 | 90.0° | 109.5° |
| C42 | C44 | H41 | 90.0° | 109.5° |
| C42 | C40 | C39 | 90.0° | 109.5° |
| C42 | C40 | H32 | 90.0° | 109.5° |
| C42 | C40 | H33 | 90.0° | 109.5° |
| C40 | C42 | H36 | 90.0° | 109.5° |
| C40 | C42 | H37 | 90.0° | 109.5° |
| C56 | C61 | C60 | 90.0° | 120.0° |
| C61 | C56 | H63 | 90.0° | 109.4° |
| C61 | C56 | H64 | 90.0° | 109.5° |
| C56 | C61 | H71 | 90.0° | 120.0° |
| C61 | C60 | C46 | 90.0° | 120.0° |
| C61 | C60 | H70 | 90.0° | 120.0° |
| C60 | C61 | H71 | 90.0° | 120.0° |
| C40 | C39 | C37 | 90.0° | 109.5° |
| C40 | C39 | H30 | 90.0° | 109.5° |
| C40 | C39 | H31 | 90.0° | 109.5° |
| C39 | C40 | H32 | 90.0° | 109.5° |
| C39 | C40 | H33 | 90.0° | 109.5° |
| C60 | C46 | C43 | 90.0° | 109.5° |
| C60 | C46 | H44 | 90.0° | 109.5° |
| C60 | C46 | H45 | 90.0° | 109.5° |
| C46 | C60 | H70 | 90.0° | 120.0° |
| C39 | C37 | C35 | 90.0° | 109.5° |
| C39 | C37 | H26 | 90.0° | 109.5° |
| C39 | C37 | H27 | 90.0° | 109.5° |
| C37 | C39 | H30 | 90.0° | 109.5° |
| C37 | C39 | H31 | 90.0° | 109.5° |
| C46 | C43 | C41 | 90.0° | 109.5° |
| C46 | C43 | H38 | 90.0° | 109.5° |
| C46 | C43 | H39 | 90.0° | 109.4° |
| C43 | C46 | H44 | 90.0° | 109.4° |
| C43 | C46 | H45 | 90.0° | 109.4° |
| O22 | C35 | C37 | 90.0° | 120.0° |
| O22 | C35 | O20 | 90.0° | 120.0° |
| C37 | C35 | O20 | 90.0° | 120.0° |
| C35 | C37 | H26 | 90.0° | 109.5° |
| C35 | C37 | H27 | 90.0° | 109.5° |
| C35 | O20 | C31 | 90.0° | 117.0° |
| C43 | C41 | C38 | 90.0° | 109.5° |
| C43 | C41 | H34 | 90.0° | 109.4° |
| C43 | C41 | H35 | 90.0° | 109.4° |
| C41 | C43 | H38 | 90.0° | 109.5° |
| C41 | C43 | H39 | 90.0° | 109.5° |
| C41 | C38 | C36 | 90.0° | 109.5° |
| C41 | C38 | H28 | 90.0° | 109.5° |
| C41 | C38 | H29 | 90.0° | 109.5° |
| C38 | C41 | H34 | 90.0° | 109.5° |
| C38 | C41 | H35 | 90.0° | 109.5° |
| O11 | P01 | O10 | 90.0° | 109.4° |
| O11 | P01 | O04 | 90.0° | 109.5° |
| O11 | P01 | O16 | 90.0° | 109.5° |
| O20 | C31 | C30 | 90.0° | 109.5° |
| O20 | C31 | H18 | 90.0° | 109.4° |
| O20 | C31 | H19 | 90.0° | 109.5° |
| C31 | C30 | O19 | 90.0° | 109.5° |
| C31 | C30 | C29 | 90.0° | 109.4° |
| C31 | C30 | H17 | 90.0° | 109.5° |
| C30 | C31 | H18 | 90.0° | 109.5° |
| C30 | C31 | H19 | 90.0° | 109.4° |
| C32 | C33 | C34 | 90.0° | 109.4° |
| C33 | C32 | O21 | 90.0° | 120.0° |
| C33 | C32 | O19 | 90.0° | 120.0° |
| C32 | C33 | H20 | 90.0° | 109.5° |
| C32 | C33 | H21 | 90.0° | 109.4° |
| C33 | C34 | C36 | 90.0° | 109.4° |
| C34 | C33 | H20 | 90.0° | 109.5° |
| C34 | C33 | H21 | 90.0° | 109.5° |
| C33 | C34 | H22 | 90.0° | 109.5° |
| C33 | C34 | H23 | 90.0° | 109.5° |
| C38 | C36 | C34 | 90.0° | 109.5° |
| C38 | C36 | H24 | 90.0° | 109.5° |
| C38 | C36 | H25 | 90.0° | 109.4° |
| C36 | C38 | H28 | 90.0° | 109.4° |
| C36 | C38 | H29 | 90.0° | 109.4° |
| C36 | C34 | H22 | 90.0° | 109.5° |
| C36 | C34 | H23 | 90.0° | 109.5° |
| C34 | C36 | H24 | 90.0° | 109.5° |
| C34 | C36 | H25 | 90.0° | 109.5° |
| O19 | C30 | C29 | 90.0° | 109.4° |
| C30 | O19 | C32 | 90.0° | 117.0° |
| O19 | C30 | H17 | 90.0° | 109.5° |
| C30 | C29 | O10 | 90.0° | 109.5° |
| C30 | C29 | H15 | 90.0° | 109.5° |
| C30 | C29 | H16 | 90.0° | 109.4° |
| C29 | C30 | H17 | 90.0° | 109.4° |
| O10 | P01 | O04 | 90.0° | 109.5° |
| O10 | P01 | O16 | 90.0° | 109.5° |
| P01 | O10 | C29 | 90.0° | 123.0° |
| O04 | P01 | O16 | 90.0° | 109.5° |
| P01 | O04 | C25 | 90.0° | 123.0° |
| P01 | O16 | H9 | 90.0° | 114.0° |
| O21 | C32 | O19 | 90.0° | 120.0° |
| O10 | C29 | H15 | 90.0° | 109.5° |
| O10 | C29 | H16 | 90.0° | 109.5° |
| O04 | C25 | C28 | 90.0° | 109.4° |
| O04 | C25 | C26 | 90.0° | 109.5° |
| O04 | C25 | H13 | 90.0° | 109.4° |
| O09 | C28 | C25 | 90.0° | 109.5° |
| O09 | C28 | C27 | 90.0° | 109.5° |
| O09 | C28 | H3 | 90.0° | 109.5° |
| C28 | O09 | H6 | 90.0° | 114.0° |
| C25 | C28 | C27 | 90.0° | 109.5° |
| C28 | C25 | C26 | 90.0° | 109.5° |
| C25 | C28 | H3 | 90.0° | 109.5° |
| C28 | C25 | H13 | 90.0° | 109.4° |
| C28 | C27 | O08 | 90.0° | 109.5° |
| C28 | C27 | C24 | 90.0° | 109.5° |
| C27 | C28 | H3 | 90.0° | 109.5° |
| C28 | C27 | H14 | 90.0° | 109.5° |
| C25 | C26 | O07 | 90.0° | 109.5° |
| C25 | C26 | C23 | 90.0° | 109.5° |
| C25 | C26 | H2 | 90.0° | 109.5° |
| C26 | C25 | H13 | 90.0° | 109.5° |
| O08 | C27 | C24 | 90.0° | 109.5° |
| C27 | O08 | H5 | 90.0° | 114.0° |
| O08 | C27 | H14 | 90.0° | 109.4° |
| C27 | C24 | C23 | 90.0° | 109.5° |
| C27 | C24 | O06 | 90.0° | 109.5° |
| C27 | C24 | H1 | 90.0° | 109.5° |
| C24 | C27 | H14 | 90.0° | 109.4° |
| O07 | C26 | C23 | 90.0° | 109.4° |
| O07 | C26 | H2 | 90.0° | 109.5° |
| C26 | O07 | H4 | 90.0° | 113.9° |
| C26 | C23 | C24 | 90.0° | 109.5° |
| C26 | C23 | O05 | 90.0° | 109.5° |
| C23 | C26 | H2 | 90.0° | 109.4° |
| C26 | C23 | H12 | 90.0° | 109.5° |
| C23 | C24 | O06 | 90.0° | 109.5° |
| C24 | C23 | O05 | 90.0° | 109.5° |
| C23 | C24 | H1 | 90.0° | 109.4° |
| C24 | C23 | H12 | 90.0° | 109.4° |
| C24 | O06 | P03 | 90.0° | 123.1° |
| O06 | C24 | H1 | 90.0° | 109.4° |
| C23 | O05 | P02 | 90.0° | 123.0° |
| O05 | C23 | H12 | 90.0° | 109.5° |
| O06 | P03 | O14 | 90.0° | 109.4° |
| O06 | P03 | O18 | 90.0° | 109.5° |
| O06 | P03 | O15 | 90.0° | 109.5° |
| O05 | P02 | O13 | 90.0° | 109.5° |
| O05 | P02 | O17 | 90.0° | 109.4° |
| O05 | P02 | O12 | 90.0° | 109.5° |
| O14 | P03 | O18 | 90.0° | 109.5° |
| O14 | P03 | O15 | 90.0° | 109.5° |
| O13 | P02 | O17 | 90.0° | 109.5° |
| O13 | P02 | O12 | 90.0° | 109.5° |
| O18 | P03 | O15 | 90.0° | 109.5° |
| P03 | O18 | H11 | 90.0° | 114.0° |
| P03 | O15 | H8 | 90.0° | 114.0° |
| O17 | P02 | O12 | 90.0° | 109.4° |
| P02 | O17 | H10 | 90.0° | 114.0° |
| P02 | O12 | H7 | 90.0° | 114.0° |
| H15 | C29 | H16 | 90.0° | 109.5° |
| H18 | C31 | H19 | 90.0° | 109.5° |
| H20 | C33 | H21 | 90.0° | 109.5° |
| H22 | C34 | H23 | 90.0° | 109.5° |
| H24 | C36 | H25 | 90.0° | 109.4° |
| H26 | C37 | H27 | 90.0° | 109.5° |
| H28 | C38 | H29 | 90.0° | 109.5° |
| H30 | C39 | H31 | 90.0° | 109.5° |
| H32 | C40 | H33 | 90.0° | 109.5° |
| H34 | C41 | H35 | 90.0° | 109.5° |
| H36 | C42 | H37 | 90.0° | 109.5° |
| H38 | C43 | H39 | 90.0° | 109.4° |
| H40 | C44 | H41 | 90.0° | 109.5° |
| H42 | C45 | H43 | 90.0° | 109.5° |
| H44 | C46 | H45 | 90.0° | 109.5° |
| H46 | C47 | H47 | 90.0° | 109.5° |
| H48 | C48 | H49 | 90.0° | 109.5° |
| H50 | C49 | H51 | 90.0° | 109.5° |
| H52 | C50 | H53 | 90.0° | 109.5° |
| H52 | C50 | C3 | 90.0° | 109.5° |
| H53 | C50 | C3 | 90.0° | 109.4° |
| H55 | C51 | H56 | 90.0° | 109.5° |
| H57 | C52 | H58 | 90.0° | 109.5° |
| H59 | C53 | H60 | 90.0° | 109.4° |
| H61 | C54 | H62 | 90.0° | 109.6° |
| H63 | C56 | H64 | 90.0° | 109.5° |
| H65 | C57 | H66 | 90.0° | 109.4° |
| H67 | C58 | H69 | 90.0° | 109.4° |
| H67 | C58 | C1 | 90.0° | 109.5° |
| H69 | C58 | C1 | 90.0° | 109.5° |
| C58 | C1 | C2 | 90.0° | 109.5° |
| C58 | C1 | H82 | 90.0° | 109.5° |
| C58 | C1 | H81 | 90.0° | 109.5° |
| C2 | C1 | H82 | 90.0° | 109.4° |
| C2 | C1 | H81 | 90.0° | 109.5° |
| C1 | C2 | H84 | 90.0° | 109.5° |
| C1 | C2 | H83 | 90.0° | 109.4° |
| C1 | C2 | H85 | 90.0° | 109.5° |
| C50 | C3 | C4 | 90.0° | 109.5° |
| C50 | C3 | H80 | 90.0° | 109.5° |
| C50 | C3 | H79 | 90.0° | 109.4° |
| C3 | C4 | C5 | 90.0° | 109.4° |
| C3 | C4 | H77 | 90.0° | 109.4° |
| C3 | C4 | H78 | 90.0° | 109.5° |
| C4 | C3 | H80 | 90.0° | 109.4° |
| C4 | C3 | H79 | 90.0° | 109.5° |
| C4 | C5 | C6 | 90.0° | 109.4° |
| C4 | C5 | H76 | 90.0° | 109.4° |
| C4 | C5 | H75 | 90.0° | 109.4° |
| C5 | C4 | H77 | 90.0° | 109.5° |
| C5 | C4 | H78 | 90.0° | 109.5° |
| C5 | C6 | H74 | 90.0° | 109.5° |
| C5 | C6 | H54 | 90.0° | 109.6° |
| C5 | C6 | H68 | 90.0° | 109.5° |
| C6 | C5 | H76 | 90.0° | 109.5° |
| C6 | C5 | H75 | 90.0° | 109.5° |
| H82 | C1 | H81 | 90.0° | 109.4° |
| H84 | C2 | H83 | 90.0° | 109.5° |
| H84 | C2 | H85 | 90.0° | 109.5° |
| H83 | C2 | H85 | 90.0° | 109.4° |
| H74 | C6 | H54 | 90.0° | 109.5° |
| H74 | C6 | H68 | 90.0° | 109.4° |
| H54 | C6 | H68 | 90.0° | 109.5° |
| H76 | C5 | H75 | 90.0° | 109.5° |
| H77 | C4 | H78 | 90.0° | 109.5° |
| H80 | C3 | H79 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C53 | C57 | C63 | H65 | 90.0° | 120.0° |
| C53 | C57 | C63 | H66 | 90.0° | 120.0° |
| C57 | C53 | C49 | H59 | 90.0° | 120.0° |
| C57 | C53 | C49 | H60 | 90.0° | 120.0° |
| C57 | C53 | C49 | C50 | 90.0° | 180.0° |
| C53 | C57 | C63 | C62 | 90.0° | 125.0° |
| C57 | C53 | C49 | H50 | 90.0° | 60.0° |
| C57 | C53 | C49 | H51 | 90.0° | 60.0° |
| C57 | C53 | H59 | H60 | 90.0° | 120.0° |
| C53 | C57 | H65 | H66 | 90.0° | 120.0° |
| C53 | C57 | C63 | H73 | 90.0° | 55.0° |
| C63 | C57 | C53 | C49 | 90.0° | 180.0° |
| C57 | C63 | C62 | H73 | 90.0° | 180.0° |
| C57 | C63 | C62 | C51 | 90.0° | 180.0° |
| C63 | C57 | C53 | H59 | 90.0° | 60.0° |
| C63 | C57 | C53 | H60 | 90.0° | 59.9° |
| C63 | C57 | H65 | H66 | 90.0° | 120.0° |
| C57 | C63 | C62 | H72 | 90.0° | 0.0° |
| C53 | C49 | C50 | H50 | 90.0° | 120.0° |
| C53 | C49 | C50 | H51 | 90.0° | 119.9° |
| C53 | C49 | H50 | H51 | 90.0° | 120.0° |
| C53 | C49 | C50 | H52 | 90.0° | 60.0° |
| C53 | C49 | C50 | H53 | 90.0° | 60.0° |
| C49 | C53 | H59 | H60 | 90.0° | 120.0° |
| C49 | C53 | C57 | H65 | 90.0° | 60.0° |
| C49 | C53 | C57 | H66 | 90.0° | 60.0° |
| C53 | C49 | C50 | C3 | 90.0° | 180.0° |
| C50 | C49 | H50 | H51 | 90.0° | 120.0° |
| C49 | C50 | H52 | H53 | 90.0° | 120.0° |
| C49 | C50 | H52 | C3 | 90.0° | 120.0° |
| C49 | C50 | H53 | C3 | 90.0° | 120.0° |
| C50 | C49 | C53 | H59 | 90.0° | 60.0° |
| C50 | C49 | C53 | H60 | 90.0° | 60.0° |
| C49 | C50 | C3 | C4 | 90.0° | 180.0° |
| C49 | C50 | C3 | H80 | 90.0° | 60.1° |
| C49 | C50 | C3 | H79 | 90.0° | 60.0° |
| C63 | C62 | C51 | H72 | 90.0° | 180.0° |
| C63 | C62 | C51 | C45 | 90.0° | 125.1° |
| C63 | C62 | C51 | H55 | 90.0° | 5.1° |
| C63 | C62 | C51 | H56 | 90.0° | 115.0° |
| C62 | C63 | C57 | H65 | 90.0° | 4.9° |
| C62 | C63 | C57 | H66 | 90.0° | 115.0° |
| C62 | C51 | C45 | H55 | 90.0° | 120.0° |
| C62 | C51 | C45 | H56 | 90.0° | 120.0° |
| C62 | C51 | C45 | C44 | 90.0° | 180.0° |
| C62 | C51 | C45 | H42 | 90.0° | 60.0° |
| C62 | C51 | C45 | H43 | 90.0° | 60.0° |
| C62 | C51 | H55 | H56 | 90.0° | 120.0° |
| C51 | C62 | C63 | H73 | 90.0° | 0.0° |
| C51 | C45 | C44 | H42 | 90.0° | 120.0° |
| C51 | C45 | C44 | H43 | 90.0° | 120.0° |
| C51 | C45 | C44 | C42 | 90.0° | 180.0° |
| C51 | C45 | C44 | H40 | 90.0° | 60.0° |
| C51 | C45 | C44 | H41 | 90.0° | 60.0° |
| C51 | C45 | H42 | H43 | 90.0° | 120.0° |
| C45 | C51 | H55 | H56 | 90.0° | 120.0° |
| C45 | C51 | C62 | H72 | 90.0° | 55.0° |
| C48 | C54 | C58 | H61 | 90.0° | 120.0° |
| C48 | C54 | C58 | H62 | 90.0° | 119.9° |
| C54 | C48 | C47 | H48 | 90.0° | 120.0° |
| C54 | C48 | C47 | H49 | 90.0° | 120.0° |
| C54 | C48 | C47 | C52 | 90.0° | 180.0° |
| C54 | C48 | C47 | H46 | 90.0° | 60.0° |
| C54 | C48 | C47 | H47 | 90.0° | 60.0° |
| C54 | C48 | H48 | H49 | 90.0° | 120.0° |
| C48 | C54 | H61 | H62 | 90.0° | 120.0° |
| C48 | C54 | C58 | H67 | 90.0° | 60.0° |
| C48 | C54 | C58 | H69 | 90.0° | 60.0° |
| C48 | C54 | C58 | C1 | 90.0° | 180.0° |
| C58 | C54 | C48 | C47 | 90.0° | 180.0° |
| C58 | C54 | C48 | H48 | 90.0° | 60.0° |
| C58 | C54 | C48 | H49 | 90.0° | 60.0° |
| C58 | C54 | H61 | H62 | 90.0° | 120.0° |
| C54 | C58 | H67 | H69 | 90.0° | 120.0° |
| C54 | C58 | H67 | C1 | 90.0° | 120.0° |
| C54 | C58 | H69 | C1 | 90.0° | 120.0° |
| C54 | C58 | C1 | C2 | 90.0° | 180.0° |
| C54 | C58 | C1 | H82 | 90.0° | 60.0° |
| C54 | C58 | C1 | H81 | 90.0° | 59.9° |
| C48 | C47 | C52 | H46 | 90.0° | 120.0° |
| C48 | C47 | C52 | H47 | 90.0° | 120.0° |
| C48 | C47 | C52 | C56 | 90.0° | 180.0° |
| C48 | C47 | H46 | H47 | 90.0° | 120.0° |
| C47 | C48 | H48 | H49 | 90.0° | 120.0° |
| C48 | C47 | C52 | H57 | 90.0° | 60.0° |
| C48 | C47 | C52 | H58 | 90.0° | 60.0° |
| C47 | C48 | C54 | H61 | 90.0° | 60.0° |
| C47 | C48 | C54 | H62 | 90.0° | 60.1° |
| C47 | C52 | C56 | H57 | 90.0° | 120.0° |
| C47 | C52 | C56 | H58 | 90.0° | 120.0° |
| C47 | C52 | C56 | C61 | 90.0° | 180.0° |
| C52 | C47 | H46 | H47 | 90.0° | 120.0° |
| C52 | C47 | C48 | H48 | 90.0° | 60.0° |
| C52 | C47 | C48 | H49 | 90.0° | 60.0° |
| C47 | C52 | H57 | H58 | 90.0° | 120.0° |
| C47 | C52 | C56 | H63 | 90.0° | 60.0° |
| C47 | C52 | C56 | H64 | 90.0° | 60.0° |
| C45 | C44 | C42 | H40 | 90.0° | 120.0° |
| C45 | C44 | C42 | H41 | 90.0° | 120.0° |
| C45 | C44 | C42 | C40 | 90.0° | 180.0° |
| C45 | C44 | C42 | H36 | 90.0° | 60.0° |
| C45 | C44 | C42 | H37 | 90.0° | 60.0° |
| C45 | C44 | H40 | H41 | 90.0° | 120.0° |
| C44 | C45 | H42 | H43 | 90.0° | 120.0° |
| C44 | C45 | C51 | H55 | 90.0° | 60.0° |
| C44 | C45 | C51 | H56 | 90.0° | 60.0° |
| C52 | C56 | C61 | H63 | 90.0° | 120.0° |
| C52 | C56 | C61 | H64 | 90.0° | 120.0° |
| C52 | C56 | C61 | C60 | 90.0° | 125.0° |
| C56 | C52 | C47 | H46 | 90.0° | 60.0° |
| C56 | C52 | C47 | H47 | 90.0° | 60.0° |
| C56 | C52 | H57 | H58 | 90.0° | 120.0° |
| C52 | C56 | H63 | H64 | 90.0° | 120.0° |
| C52 | C56 | C61 | H71 | 90.0° | 55.0° |
| C44 | C42 | C40 | H36 | 90.0° | 120.0° |
| C44 | C42 | C40 | H37 | 90.0° | 120.0° |
| C44 | C42 | C40 | C39 | 90.0° | 180.0° |
| C44 | C42 | C40 | H32 | 90.0° | 60.0° |
| C44 | C42 | C40 | H33 | 90.0° | 60.0° |
| C44 | C42 | H36 | H37 | 90.0° | 120.0° |
| C42 | C44 | H40 | H41 | 90.0° | 120.0° |
| C42 | C44 | C45 | H42 | 90.0° | 60.0° |
| C42 | C44 | C45 | H43 | 90.0° | 60.0° |
| C42 | C40 | C39 | H32 | 90.0° | 120.0° |
| C42 | C40 | C39 | H33 | 90.0° | 120.0° |
| C42 | C40 | C39 | C37 | 90.0° | 180.0° |
| C42 | C40 | C39 | H30 | 90.0° | 60.0° |
| C42 | C40 | C39 | H31 | 90.0° | 60.0° |
| C42 | C40 | H32 | H33 | 90.0° | 120.0° |
| C40 | C42 | H36 | H37 | 90.0° | 120.0° |
| C40 | C42 | C44 | H40 | 90.0° | 60.0° |
| C40 | C42 | C44 | H41 | 90.0° | 60.0° |
| C56 | C61 | C60 | H71 | 90.0° | 180.0° |
| C56 | C61 | C60 | C46 | 90.0° | 180.0° |
| C61 | C56 | C52 | H57 | 90.0° | 60.0° |
| C61 | C56 | C52 | H58 | 90.0° | 60.0° |
| C61 | C56 | H63 | H64 | 90.0° | 120.0° |
| C56 | C61 | C60 | H70 | 90.0° | 0.0° |
| C61 | C60 | C46 | H70 | 90.0° | 180.0° |
| C61 | C60 | C46 | C43 | 90.0° | 125.0° |
| C61 | C60 | C46 | H44 | 90.0° | 5.0° |
| C61 | C60 | C46 | H45 | 90.0° | 115.0° |
| C60 | C61 | C56 | H63 | 90.0° | 5.0° |
| C60 | C61 | C56 | H64 | 90.0° | 115.0° |
| C40 | C39 | C37 | H30 | 90.0° | 120.0° |
| C40 | C39 | C37 | H31 | 90.0° | 120.0° |
| C40 | C39 | C37 | C35 | 90.0° | 180.0° |
| C40 | C39 | C37 | H26 | 90.0° | 60.0° |
| C40 | C39 | C37 | H27 | 90.0° | 60.0° |
| C40 | C39 | H30 | H31 | 90.0° | 120.0° |
| C39 | C40 | H32 | H33 | 90.0° | 120.0° |
| C39 | C40 | C42 | H36 | 90.0° | 60.0° |
| C39 | C40 | C42 | H37 | 90.0° | 60.0° |
| C60 | C46 | C43 | H44 | 90.0° | 120.0° |
| C60 | C46 | C43 | H45 | 90.0° | 120.0° |
| C60 | C46 | C43 | C41 | 90.0° | 180.0° |
| C60 | C46 | C43 | H38 | 90.0° | 60.0° |
| C60 | C46 | C43 | H39 | 90.0° | 60.0° |
| C60 | C46 | H44 | H45 | 90.0° | 120.1° |
| C46 | C60 | C61 | H71 | 90.0° | 0.0° |
| C39 | C37 | C35 | O22 | 90.0° | 0.1° |
| C39 | C37 | C35 | H26 | 90.0° | 120.0° |
| C39 | C37 | C35 | H27 | 90.0° | 120.0° |
| C39 | C37 | C35 | O20 | 90.0° | 180.0° |
| C39 | C37 | H26 | H27 | 90.0° | 120.0° |
| C37 | C39 | H30 | H31 | 90.0° | 120.0° |
| C37 | C39 | C40 | H32 | 90.0° | 60.0° |
| C37 | C39 | C40 | H33 | 90.0° | 60.0° |
| C46 | C43 | C41 | H38 | 90.0° | 120.0° |
| C46 | C43 | C41 | H39 | 90.0° | 120.0° |
| C46 | C43 | C41 | C38 | 90.0° | 180.0° |
| C46 | C43 | C41 | H34 | 90.0° | 60.0° |
| C46 | C43 | C41 | H35 | 90.0° | 60.0° |
| C46 | C43 | H38 | H39 | 90.0° | 119.9° |
| C43 | C46 | H44 | H45 | 90.0° | 119.9° |
| C43 | C46 | C60 | H70 | 90.0° | 55.0° |
| O22 | C35 | C37 | O20 | 90.0° | 179.9° |
| O22 | C35 | O20 | C31 | 90.0° | 0.0° |
| O22 | C35 | C37 | H26 | 90.0° | 120.1° |
| O22 | C35 | C37 | H27 | 90.0° | 120.0° |
| C37 | C35 | O20 | C31 | 90.0° | 180.0° |
| C35 | C37 | H26 | H27 | 90.0° | 120.0° |
| C35 | C37 | C39 | H30 | 90.0° | 60.0° |
| C35 | C37 | C39 | H31 | 90.0° | 59.9° |
| C35 | O20 | C31 | C30 | 90.0° | 180.0° |
| C35 | O20 | C31 | H18 | 90.0° | 60.0° |
| C35 | O20 | C31 | H19 | 90.0° | 60.0° |
| O20 | C35 | C37 | H26 | 90.0° | 60.0° |
| O20 | C35 | C37 | H27 | 90.0° | 60.0° |
| C43 | C41 | C38 | H34 | 90.0° | 120.0° |
| C43 | C41 | C38 | H35 | 90.0° | 120.0° |
| C43 | C41 | C38 | C36 | 90.0° | NaN° |
| C43 | C41 | C38 | H28 | 90.0° | 60.0° |
| C43 | C41 | C38 | H29 | 90.0° | 60.0° |
| C43 | C41 | H34 | H35 | 90.0° | 119.9° |
| C41 | C43 | H38 | H39 | 90.0° | 120.0° |
| C41 | C43 | C46 | H44 | 90.0° | 60.0° |
| C41 | C43 | C46 | H45 | 90.0° | 60.0° |
| C41 | C38 | C36 | H28 | 90.0° | 120.0° |
| C41 | C38 | C36 | H29 | 90.0° | 120.0° |
| C41 | C38 | C36 | C34 | 90.0° | NaN° |
| C41 | C38 | C36 | H24 | 90.0° | 60.0° |
| C41 | C38 | C36 | H25 | 90.0° | 60.0° |
| C41 | C38 | H28 | H29 | 90.0° | 120.0° |
| C38 | C41 | H34 | H35 | 90.0° | 120.0° |
| C38 | C41 | C43 | H38 | 90.0° | 60.0° |
| C38 | C41 | C43 | H39 | 90.0° | 60.0° |
| O11 | P01 | O10 | O04 | 90.0° | 120.0° |
| O11 | P01 | O10 | O16 | 90.0° | 120.0° |
| O11 | P01 | O04 | O16 | 90.0° | 120.0° |
| O11 | P01 | O10 | C29 | 90.0° | 55.0° |
| O11 | P01 | O04 | C25 | 90.0° | 55.1° |
| O11 | P01 | O16 | H9 | 90.0° | 180.0° |
| O20 | C31 | C30 | H18 | 90.0° | 120.0° |
| O20 | C31 | C30 | H19 | 90.0° | 120.0° |
| O20 | C31 | C30 | O19 | 90.0° | 65.0° |
| O20 | C31 | C30 | C29 | 90.0° | 55.0° |
| O20 | C31 | C30 | H17 | 90.0° | 174.9° |
| O20 | C31 | H18 | H19 | 90.0° | 120.0° |
| C31 | C30 | O19 | C29 | 90.0° | 120.0° |
| C31 | C30 | O19 | H17 | 90.0° | 120.1° |
| C31 | C30 | C29 | H17 | 90.0° | 120.0° |
| C31 | C30 | O19 | C32 | 90.0° | 150.0° |
| C31 | C30 | C29 | O10 | 90.0° | 55.0° |
| C31 | C30 | C29 | H15 | 90.0° | 175.0° |
| C31 | C30 | C29 | H16 | 90.0° | 65.0° |
| C30 | C31 | H18 | H19 | 90.0° | 120.0° |
| C32 | C33 | C34 | H20 | 90.0° | 120.0° |
| C32 | C33 | C34 | H21 | 90.0° | 120.0° |
| C32 | C33 | C34 | C36 | 90.0° | 180.0° |
| C33 | C32 | O19 | C30 | 90.0° | 180.0° |
| C33 | C32 | O21 | O19 | 90.0° | 179.9° |
| C32 | C33 | H20 | H21 | 90.0° | 120.0° |
| C32 | C33 | C34 | H22 | 90.0° | 60.0° |
| C32 | C33 | C34 | H23 | 90.0° | 60.0° |
| C33 | C34 | C36 | C38 | 90.0° | 180.0° |
| C33 | C34 | C36 | H22 | 90.0° | 120.0° |
| C33 | C34 | C36 | H23 | 90.0° | 120.0° |
| C34 | C33 | C32 | O21 | 90.0° | 0.0° |
| C34 | C33 | C32 | O19 | 90.0° | 180.0° |
| C34 | C33 | H20 | H21 | 90.0° | 120.0° |
| C33 | C34 | H22 | H23 | 90.0° | 120.0° |
| C33 | C34 | C36 | H24 | 90.0° | 60.0° |
| C33 | C34 | C36 | H25 | 90.0° | 60.0° |
| C38 | C36 | C34 | H24 | 90.0° | 120.0° |
| C38 | C36 | C34 | H25 | 90.0° | 120.0° |
| C38 | C36 | C34 | H22 | 90.0° | 60.0° |
| C38 | C36 | C34 | H23 | 90.0° | 60.0° |
| C38 | C36 | H24 | H25 | 90.0° | 120.0° |
| C36 | C38 | H28 | H29 | 90.0° | 119.9° |
| C36 | C38 | C41 | H34 | 90.0° | 60.0° |
| C36 | C38 | C41 | H35 | 90.0° | 60.0° |
| C36 | C34 | C33 | H20 | 90.0° | 60.0° |
| C36 | C34 | C33 | H21 | 90.0° | 60.0° |
| C36 | C34 | H22 | H23 | 90.0° | 120.0° |
| C34 | C36 | H24 | H25 | 90.0° | 120.0° |
| C34 | C36 | C38 | H28 | 90.0° | 60.0° |
| C34 | C36 | C38 | H29 | 90.0° | 60.0° |
| O19 | C30 | C29 | H17 | 90.0° | 120.0° |
| C30 | O19 | C32 | O21 | 90.0° | 0.1° |
| O19 | C30 | C29 | O10 | 90.0° | 65.0° |
| O19 | C30 | C29 | H15 | 90.0° | 55.0° |
| O19 | C30 | C29 | H16 | 90.0° | 175.0° |
| O19 | C30 | C31 | H18 | 90.0° | 175.1° |
| O19 | C30 | C31 | H19 | 90.0° | 55.0° |
| C30 | C29 | O10 | P01 | 90.0° | 180.0° |
| C29 | C30 | O19 | C32 | 90.0° | 90.1° |
| C30 | C29 | O10 | H15 | 90.0° | 120.0° |
| C30 | C29 | O10 | H16 | 90.0° | 120.0° |
| C30 | C29 | H15 | H16 | 90.0° | 119.9° |
| C29 | C30 | C31 | H18 | 90.0° | 65.0° |
| C29 | C30 | C31 | H19 | 90.0° | 175.0° |
| O10 | P01 | O04 | O16 | 90.0° | 120.0° |
| O10 | P01 | O04 | C25 | 90.0° | 175.0° |
| O10 | P01 | O16 | H9 | 90.0° | 60.0° |
| P01 | O10 | C29 | H15 | 90.0° | 60.0° |
| P01 | O10 | C29 | H16 | 90.0° | 60.0° |
| O04 | P01 | O10 | C29 | 90.0° | 175.0° |
| P01 | O04 | C25 | C28 | 90.0° | 120.0° |
| P01 | O04 | C25 | C26 | 90.0° | 119.9° |
| O04 | P01 | O16 | H9 | 90.0° | 60.0° |
| P01 | O04 | C25 | H13 | 90.0° | 0.1° |
| O16 | P01 | O10 | C29 | 90.0° | 65.0° |
| O16 | P01 | O04 | C25 | 90.0° | 64.9° |
| O21 | C32 | C33 | H20 | 90.0° | 120.1° |
| O21 | C32 | C33 | H21 | 90.0° | 120.0° |
| C32 | O19 | C30 | H17 | 90.0° | 29.9° |
| O19 | C32 | C33 | H20 | 90.0° | 60.0° |
| O19 | C32 | C33 | H21 | 90.0° | 60.0° |
| O10 | C29 | H15 | H16 | 90.0° | 120.0° |
| O10 | C29 | C30 | H17 | 90.0° | 175.0° |
| O04 | C25 | C28 | O09 | 90.0° | 60.1° |
| O04 | C25 | C28 | C26 | 90.0° | 120.0° |
| O04 | C25 | C28 | H13 | 90.0° | 119.9° |
| O04 | C25 | C28 | C27 | 90.0° | 180.0° |
| O04 | C25 | C26 | H13 | 90.0° | 120.0° |
| O04 | C25 | C26 | O07 | 90.0° | 60.0° |
| O04 | C25 | C26 | C23 | 90.0° | 180.0° |
| O04 | C25 | C26 | H2 | 90.0° | 60.1° |
| O04 | C25 | C28 | H3 | 90.0° | 59.9° |
| O09 | C28 | C25 | C27 | 90.0° | 120.0° |
| O09 | C28 | C25 | H3 | 90.0° | 120.0° |
| O09 | C28 | C27 | H3 | 90.0° | 120.0° |
| O09 | C28 | C25 | C26 | 90.0° | 60.0° |
| O09 | C28 | C27 | O08 | 90.0° | 60.0° |
| O09 | C28 | C27 | C24 | 90.0° | 60.0° |
| O09 | C28 | C25 | H13 | 90.0° | 180.0° |
| O09 | C28 | C27 | H14 | 90.0° | 180.0° |
| C25 | C28 | C27 | H3 | 90.0° | 120.0° |
| C28 | C25 | C26 | H13 | 90.0° | 120.0° |
| C25 | C28 | C27 | O08 | 90.0° | 180.0° |
| C25 | C28 | C27 | C24 | 90.0° | 60.0° |
| C28 | C25 | C26 | O07 | 90.0° | 180.0° |
| C28 | C25 | C26 | C23 | 90.0° | 60.0° |
| C28 | C25 | C26 | H2 | 90.0° | 59.9° |
| C25 | C28 | O09 | H6 | 90.0° | 180.0° |
| C25 | C28 | C27 | H14 | 90.0° | 60.0° |
| C27 | C28 | C25 | C26 | 90.0° | 60.0° |
| C28 | C27 | O08 | C24 | 90.0° | 120.1° |
| C28 | C27 | O08 | H14 | 90.0° | 120.0° |
| C28 | C27 | C24 | H14 | 90.0° | 120.0° |
| C28 | C27 | C24 | C23 | 90.0° | 59.9° |
| C28 | C27 | C24 | O06 | 90.0° | 180.0° |
| C28 | C27 | C24 | H1 | 90.0° | 60.0° |
| C28 | C27 | O08 | H5 | 90.0° | 59.9° |
| C27 | C28 | O09 | H6 | 90.0° | 60.0° |
| C27 | C28 | C25 | H13 | 90.0° | 60.1° |
| C25 | C26 | O07 | C23 | 90.0° | 120.0° |
| C25 | C26 | O07 | H2 | 90.0° | 120.1° |
| C25 | C26 | C23 | H2 | 90.0° | 120.0° |
| C25 | C26 | C23 | C24 | 90.0° | 60.0° |
| C25 | C26 | C23 | O05 | 90.0° | 180.0° |
| C26 | C25 | C28 | H3 | 90.0° | 180.0° |
| C25 | C26 | O07 | H4 | 90.0° | 60.0° |
| C25 | C26 | C23 | H12 | 90.0° | 60.0° |
| O08 | C27 | C24 | H14 | 90.0° | 119.9° |
| O08 | C27 | C24 | C23 | 90.0° | 180.0° |
| O08 | C27 | C24 | O06 | 90.0° | 59.9° |
| O08 | C27 | C24 | H1 | 90.0° | 60.1° |
| O08 | C27 | C28 | H3 | 90.0° | 60.0° |
| C27 | C24 | C23 | C26 | 90.0° | 59.9° |
| C27 | C24 | C23 | O06 | 90.0° | 120.1° |
| C27 | C24 | C23 | H1 | 90.0° | 119.9° |
| C27 | C24 | O06 | H1 | 90.0° | 120.0° |
| C27 | C24 | C23 | O05 | 90.0° | 180.0° |
| C27 | C24 | O06 | P03 | 90.0° | 120.0° |
| C24 | C27 | C28 | H3 | 90.0° | 180.0° |
| C24 | C27 | O08 | H5 | 90.0° | 180.0° |
| C27 | C24 | C23 | H12 | 90.0° | 60.1° |
| O07 | C26 | C23 | H2 | 90.0° | 120.0° |
| O07 | C26 | C23 | C24 | 90.0° | 180.0° |
| O07 | C26 | C23 | O05 | 90.0° | 60.0° |
| O07 | C26 | C23 | H12 | 90.0° | 60.0° |
| O07 | C26 | C25 | H13 | 90.0° | 60.0° |
| C26 | C23 | C24 | O05 | 90.0° | 120.0° |
| C26 | C23 | C24 | H12 | 90.0° | 120.0° |
| C26 | C23 | C24 | O06 | 90.0° | 180.0° |
| C26 | C23 | O05 | H12 | 90.0° | 120.0° |
| C26 | C23 | O05 | P02 | 90.0° | 120.0° |
| C26 | C23 | C24 | H1 | 90.0° | 60.0° |
| C23 | C26 | O07 | H4 | 90.0° | 180.0° |
| C23 | C26 | C25 | H13 | 90.0° | 60.0° |
| C23 | C24 | O06 | H1 | 90.0° | 119.9° |
| C24 | C23 | O05 | H12 | 90.0° | 119.9° |
| C23 | C24 | O06 | P03 | 90.0° | 120.0° |
| C24 | C23 | O05 | P02 | 90.0° | 119.9° |
| C24 | C23 | C26 | H2 | 90.0° | 60.0° |
| C23 | C24 | C27 | H14 | 90.0° | 60.1° |
| O06 | C24 | C23 | O05 | 90.0° | 59.9° |
| C24 | O06 | P03 | O14 | 90.0° | 55.0° |
| C24 | O06 | P03 | O18 | 90.0° | 175.0° |
| C24 | O06 | P03 | O15 | 90.0° | 65.0° |
| O06 | C24 | C23 | H12 | 90.0° | 60.0° |
| O06 | C24 | C27 | H14 | 90.0° | 60.0° |
| C23 | O05 | P02 | O13 | 90.0° | 55.0° |
| C23 | O05 | P02 | O17 | 90.0° | 65.0° |
| C23 | O05 | P02 | O12 | 90.0° | 175.0° |
| O05 | C23 | C24 | H1 | 90.0° | 60.0° |
| O05 | C23 | C26 | H2 | 90.0° | 60.0° |
| O06 | P03 | O14 | O18 | 90.0° | 120.0° |
| O06 | P03 | O14 | O15 | 90.0° | 119.9° |
| O06 | P03 | O18 | O15 | 90.0° | 120.0° |
| P03 | O06 | C24 | H1 | 90.0° | 0.0° |
| O06 | P03 | O15 | H8 | 90.0° | 60.0° |
| O06 | P03 | O18 | H11 | 90.0° | 180.0° |
| O05 | P02 | O13 | O17 | 90.0° | 120.0° |
| O05 | P02 | O13 | O12 | 90.0° | 120.0° |
| O05 | P02 | O17 | O12 | 90.0° | 120.0° |
| O05 | P02 | O12 | H7 | 90.0° | 180.0° |
| O05 | P02 | O17 | H10 | 90.0° | 60.0° |
| P02 | O05 | C23 | H12 | 90.0° | 0.0° |
| O14 | P03 | O18 | O15 | 90.0° | 120.0° |
| O14 | P03 | O15 | H8 | 90.0° | 180.0° |
| O14 | P03 | O18 | H11 | 90.0° | 60.0° |
| O13 | P02 | O17 | O12 | 90.0° | 120.0° |
| O13 | P02 | O12 | H7 | 90.0° | 60.0° |
| O13 | P02 | O17 | H10 | 90.0° | 180.0° |
| O18 | P03 | O15 | H8 | 90.0° | 60.0° |
| O15 | P03 | O18 | H11 | 90.0° | 60.0° |
| O17 | P02 | O12 | H7 | 90.0° | 60.0° |
| O12 | P02 | O17 | H10 | 90.0° | 60.0° |
| H1 | C24 | C23 | H12 | 90.0° | 180.0° |
| H1 | C24 | C27 | H14 | 90.0° | 180.0° |
| H2 | C26 | O07 | H4 | 90.0° | 60.0° |
| H2 | C26 | C23 | H12 | 90.0° | 180.0° |
| H2 | C26 | C25 | H13 | 90.0° | 179.9° |
| H3 | C28 | O09 | H6 | 90.0° | 60.0° |
| H3 | C28 | C25 | H13 | 90.0° | 60.0° |
| H3 | C28 | C27 | H14 | 90.0° | 60.0° |
| H5 | O08 | C27 | H14 | 90.0° | 60.1° |
| H15 | C29 | C30 | H17 | 90.0° | 65.0° |
| H16 | C29 | C30 | H17 | 90.0° | 55.0° |
| H17 | C30 | C31 | H18 | 90.0° | 55.0° |
| H17 | C30 | C31 | H19 | 90.0° | 65.1° |
| H20 | C33 | C34 | H22 | 90.0° | 180.0° |
| H20 | C33 | C34 | H23 | 90.0° | 60.0° |
| H21 | C33 | C34 | H22 | 90.0° | 59.9° |
| H21 | C33 | C34 | H23 | 90.0° | 180.0° |
| H22 | C34 | C36 | H24 | 90.0° | 179.9° |
| H22 | C34 | C36 | H25 | 90.0° | 59.9° |
| H23 | C34 | C36 | H24 | 90.0° | 60.0° |
| H23 | C34 | C36 | H25 | 90.0° | NaN° |
| H24 | C36 | C38 | H28 | 90.0° | 180.0° |
| H24 | C36 | C38 | H29 | 90.0° | 60.0° |
| H25 | C36 | C38 | H28 | 90.0° | 60.0° |
| H25 | C36 | C38 | H29 | 90.0° | 180.0° |
| H26 | C37 | C39 | H30 | 90.0° | 180.0° |
| H26 | C37 | C39 | H31 | 90.0° | 60.0° |
| H27 | C37 | C39 | H30 | 90.0° | 60.0° |
| H27 | C37 | C39 | H31 | 90.0° | 180.0° |
| H28 | C38 | C41 | H34 | 90.0° | 180.0° |
| H28 | C38 | C41 | H35 | 90.0° | 60.0° |
| H29 | C38 | C41 | H34 | 90.0° | 60.0° |
| H29 | C38 | C41 | H35 | 90.0° | NaN° |
| H30 | C39 | C40 | H32 | 90.0° | 180.0° |
| H30 | C39 | C40 | H33 | 90.0° | 60.0° |
| H31 | C39 | C40 | H32 | 90.0° | 60.0° |
| H31 | C39 | C40 | H33 | 90.0° | 180.0° |
| H32 | C40 | C42 | H36 | 90.0° | 180.0° |
| H32 | C40 | C42 | H37 | 90.0° | 60.0° |
| H33 | C40 | C42 | H36 | 90.0° | 60.0° |
| H33 | C40 | C42 | H37 | 90.0° | 180.0° |
| H34 | C41 | C43 | H38 | 90.0° | 180.0° |
| H34 | C41 | C43 | H39 | 90.0° | 60.0° |
| H35 | C41 | C43 | H38 | 90.0° | 60.0° |
| H35 | C41 | C43 | H39 | 90.0° | 180.0° |
| H36 | C42 | C44 | H40 | 90.0° | 180.0° |
| H36 | C42 | C44 | H41 | 90.0° | 60.0° |
| H37 | C42 | C44 | H40 | 90.0° | 60.0° |
| H37 | C42 | C44 | H41 | 90.0° | 180.0° |
| H38 | C43 | C46 | H44 | 90.0° | 180.0° |
| H38 | C43 | C46 | H45 | 90.0° | 60.1° |
| H39 | C43 | C46 | H44 | 90.0° | 60.0° |
| H39 | C43 | C46 | H45 | 90.0° | 180.0° |
| H40 | C44 | C45 | H42 | 90.0° | NaN° |
| H40 | C44 | C45 | H43 | 90.0° | 60.0° |
| H41 | C44 | C45 | H42 | 90.0° | 60.0° |
| H41 | C44 | C45 | H43 | 90.0° | NaN° |
| H42 | C45 | C51 | H55 | 90.0° | 180.0° |
| H42 | C45 | C51 | H56 | 90.0° | 60.0° |
| H43 | C45 | C51 | H55 | 90.0° | 60.0° |
| H43 | C45 | C51 | H56 | 90.0° | 180.0° |
| H44 | C46 | C60 | H70 | 90.0° | 175.0° |
| H45 | C46 | C60 | H70 | 90.0° | 65.0° |
| H46 | C47 | C48 | H48 | 90.0° | 60.0° |
| H46 | C47 | C48 | H49 | 90.0° | 180.0° |
| H46 | C47 | C52 | H57 | 90.0° | 180.0° |
| H46 | C47 | C52 | H58 | 90.0° | 60.0° |
| H47 | C47 | C48 | H48 | 90.0° | 180.0° |
| H47 | C47 | C48 | H49 | 90.0° | 60.0° |
| H47 | C47 | C52 | H57 | 90.0° | 60.0° |
| H47 | C47 | C52 | H58 | 90.0° | 180.0° |
| H48 | C48 | C54 | H61 | 90.0° | 180.0° |
| H48 | C48 | C54 | H62 | 90.0° | 59.9° |
| H49 | C48 | C54 | H61 | 90.0° | 59.9° |
| H49 | C48 | C54 | H62 | 90.0° | 180.0° |
| H50 | C49 | C50 | H52 | 90.0° | 60.0° |
| H50 | C49 | C50 | H53 | 90.0° | 180.0° |
| H50 | C49 | C53 | H59 | 90.0° | 180.0° |
| H50 | C49 | C53 | H60 | 90.0° | 60.0° |
| H50 | C49 | C50 | C3 | 90.0° | 60.0° |
| H51 | C49 | C50 | H52 | 90.0° | 179.9° |
| H51 | C49 | C50 | H53 | 90.0° | 59.9° |
| H51 | C49 | C53 | H59 | 90.0° | 60.0° |
| H51 | C49 | C53 | H60 | 90.0° | 179.9° |
| H51 | C49 | C50 | C3 | 90.0° | 60.0° |
| H52 | C50 | H53 | C3 | 90.0° | 120.0° |
| H52 | C50 | C3 | C4 | 90.0° | 60.0° |
| H52 | C50 | C3 | H80 | 90.0° | 179.9° |
| H52 | C50 | C3 | H79 | 90.0° | 60.0° |
| H53 | C50 | C3 | C4 | 90.0° | 60.0° |
| H53 | C50 | C3 | H80 | 90.0° | 59.9° |
| H53 | C50 | C3 | H79 | 90.0° | 180.0° |
| H55 | C51 | C62 | H72 | 90.0° | 175.0° |
| H56 | C51 | C62 | H72 | 90.0° | 65.0° |
| H57 | C52 | C56 | H63 | 90.0° | 180.0° |
| H57 | C52 | C56 | H64 | 90.0° | 60.0° |
| H58 | C52 | C56 | H63 | 90.0° | 60.0° |
| H58 | C52 | C56 | H64 | 90.0° | 180.0° |
| H59 | C53 | C57 | H65 | 90.0° | 180.0° |
| H59 | C53 | C57 | H66 | 90.0° | 60.1° |
| H60 | C53 | C57 | H65 | 90.0° | 60.0° |
| H60 | C53 | C57 | H66 | 90.0° | 180.0° |
| H61 | C54 | C58 | H67 | 90.0° | 179.9° |
| H61 | C54 | C58 | H69 | 90.0° | 60.0° |
| H61 | C54 | C58 | C1 | 90.0° | 60.1° |
| H62 | C54 | C58 | H67 | 90.0° | 60.0° |
| H62 | C54 | C58 | H69 | 90.0° | 179.9° |
| H62 | C54 | C58 | C1 | 90.0° | 60.0° |
| H63 | C56 | C61 | H71 | 90.0° | 175.0° |
| H64 | C56 | C61 | H71 | 90.0° | 65.0° |
| H65 | C57 | C63 | H73 | 90.0° | 175.0° |
| H66 | C57 | C63 | H73 | 90.0° | 65.0° |
| H67 | C58 | H69 | C1 | 90.0° | 120.0° |
| H67 | C58 | C1 | C2 | 90.0° | 60.0° |
| H67 | C58 | C1 | H82 | 90.0° | 180.0° |
| H67 | C58 | C1 | H81 | 90.0° | 60.0° |
| H69 | C58 | C1 | C2 | 90.0° | 60.0° |
| H69 | C58 | C1 | H82 | 90.0° | 60.0° |
| H69 | C58 | C1 | H81 | 90.0° | 180.0° |
| H70 | C60 | C61 | H71 | 90.0° | 180.0° |
| H72 | C62 | C63 | H73 | 90.0° | 180.0° |
| C58 | C1 | C2 | H82 | 90.0° | 120.0° |
| C58 | C1 | C2 | H81 | 90.0° | 120.1° |
| C58 | C1 | H82 | H81 | 90.0° | 120.0° |
| C58 | C1 | C2 | H84 | 90.0° | 179.9° |
| C58 | C1 | C2 | H83 | 90.0° | 60.0° |
| C58 | C1 | C2 | H85 | 90.0° | 59.9° |
| C2 | C1 | H82 | H81 | 90.0° | 120.0° |
| C1 | C2 | H84 | H83 | 90.0° | 120.0° |
| C1 | C2 | H84 | H85 | 90.0° | 120.0° |
| C1 | C2 | H83 | H85 | 90.0° | 120.0° |
| C50 | C3 | C4 | H80 | 90.0° | 120.0° |
| C50 | C3 | C4 | H79 | 90.0° | 120.0° |
| C50 | C3 | C4 | C5 | 90.0° | 180.0° |
| C50 | C3 | C4 | H77 | 90.0° | 60.0° |
| C50 | C3 | C4 | H78 | 90.0° | 60.0° |
| C50 | C3 | H80 | H79 | 90.0° | 120.0° |
| C3 | C4 | C5 | H77 | 90.0° | 120.0° |
| C3 | C4 | C5 | H78 | 90.0° | 120.0° |
| C3 | C4 | C5 | C6 | 90.0° | 180.0° |
| C3 | C4 | C5 | H76 | 90.0° | 60.0° |
| C3 | C4 | C5 | H75 | 90.0° | 60.0° |
| C3 | C4 | H77 | H78 | 90.0° | 120.0° |
| C4 | C3 | H80 | H79 | 90.0° | 120.1° |
| C4 | C5 | C6 | H76 | 90.0° | 120.0° |
| C4 | C5 | C6 | H75 | 90.0° | 119.9° |
| C4 | C5 | C6 | H74 | 90.0° | 180.0° |
| C4 | C5 | C6 | H54 | 90.0° | 60.0° |
| C4 | C5 | C6 | H68 | 90.0° | 60.1° |
| C4 | C5 | H76 | H75 | 90.0° | 120.0° |
| C5 | C4 | H77 | H78 | 90.0° | 120.1° |
| C5 | C4 | C3 | H80 | 90.0° | 60.0° |
| C5 | C4 | C3 | H79 | 90.0° | 60.0° |
| C5 | C6 | H74 | H54 | 90.0° | 120.1° |
| C5 | C6 | H74 | H68 | 90.0° | 120.0° |
| C5 | C6 | H54 | H68 | 90.0° | 120.1° |
| C6 | C5 | H76 | H75 | 90.0° | 120.1° |
| C6 | C5 | C4 | H77 | 90.0° | 60.0° |
| C6 | C5 | C4 | H78 | 90.0° | 60.0° |
| H82 | C1 | C2 | H84 | 90.0° | 59.9° |
| H82 | C1 | C2 | H83 | 90.0° | 180.0° |
| H82 | C1 | C2 | H85 | 90.0° | 60.1° |
| H81 | C1 | C2 | H84 | 90.0° | 60.0° |
| H81 | C1 | C2 | H83 | 90.0° | 60.1° |
| H81 | C1 | C2 | H85 | 90.0° | 180.0° |
| H84 | C2 | H83 | H85 | 90.0° | 120.0° |
| H74 | C6 | H54 | H68 | 90.0° | 119.9° |
| H74 | C6 | C5 | H76 | 90.0° | 60.0° |
| H74 | C6 | C5 | H75 | 90.0° | 60.1° |
| H54 | C6 | C5 | H76 | 90.0° | 179.9° |
| H54 | C6 | C5 | H75 | 90.0° | 60.0° |
| H68 | C6 | C5 | H76 | 90.0° | 59.9° |
| H68 | C6 | C5 | H75 | 90.0° | 180.0° |
| H76 | C5 | C4 | H77 | 90.0° | 180.0° |
| H76 | C5 | C4 | H78 | 90.0° | 60.0° |
| H75 | C5 | C4 | H77 | 90.0° | 60.0° |
| H75 | C5 | C4 | H78 | 90.0° | 180.0° |
| H77 | C4 | C3 | H80 | 90.0° | 179.9° |
| H77 | C4 | C3 | H79 | 90.0° | 60.0° |
| H78 | C4 | C3 | H80 | 90.0° | 60.0° |
| H78 | C4 | C3 | H79 | 90.0° | 180.0° |






