KJ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.57Å | |
| C22 | C21 | sing | 1.53Å | 1.58Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C21 | C20 | sing | 1.53Å | 1.59Å | |
| C20 | C18 | sing | 1.51Å | 1.60Å | |
| O19 | C18 | doub | 1.21Å | 1.18Å | |
| C07 | C08 | sing | 1.53Å | 1.57Å | |
| C07 | C06 | sing | 1.53Å | 1.55Å | |
| C18 | O17 | sing | 1.34Å | 1.48Å | |
| C08 | C09 | sing | 1.53Å | 1.56Å | |
| C06 | C05 | sing | 1.53Å | 1.56Å | |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| O17 | C16 | sing | 1.45Å | 1.47Å | |
| C09 | C10 | sing | 1.53Å | 1.57Å | |
| C04 | C03 | sing | 1.53Å | 1.56Å | |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C16 | C15 | sing | 1.53Å | 1.61Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.51Å | 1.63Å | |
| C15 | O14 | sing | 1.45Å | 1.45Å | |
| C15 | C30 | sing | 1.53Å | 1.57Å | |
| O14 | C12 | sing | 1.34Å | 1.45Å | |
| C12 | O13 | doub | 1.21Å | 1.19Å | |
| C30 | O31 | sing | 1.43Å | 1.42Å | |
| O31 | P32 | sing | 1.61Å | 1.66Å | |
| P32 | O34 | doub | 1.48Å | 1.51Å | |
| P32 | O33 | sing | 1.61Å | 1.50Å | |
| P32 | O35 | sing | 1.61Å | 1.64Å | |
| O35 | C36 | sing | 1.43Å | 1.41Å | |
| O38 | C37 | sing | 1.43Å | 1.40Å | |
| C36 | C37 | sing | 1.53Å | 1.49Å | |
| C37 | C39 | sing | 1.53Å | 1.43Å | |
| O44 | C42 | doub | 1.21Å | 1.26Å | |
| C39 | O40 | sing | 1.43Å | 1.39Å | |
| O40 | C41 | sing | 1.43Å | 1.29Å | |
| O53 | C52 | sing | 1.43Å | 1.42Å | |
| OA0 | C41 | sing | 1.43Å | 1.47Å | |
| OA0 | C50 | sing | 1.43Å | 1.44Å | |
| C42 | C41 | sing | 1.51Å | 1.51Å | |
| C42 | O43 | sing | 1.34Å | 1.26Å | |
| C41 | C45 | sing | 1.53Å | 1.51Å | |
| C51 | C52 | sing | 1.53Å | 1.51Å | |
| C51 | C50 | sing | 1.53Å | 1.62Å | |
| C51 | O54 | sing | 1.43Å | 1.37Å | |
| C50 | C48 | sing | 1.53Å | 1.52Å | |
| C45 | C46 | sing | 1.53Å | 1.44Å | |
| C48 | C46 | sing | 1.53Å | 1.47Å | |
| C48 | O49 | sing | 1.43Å | 1.38Å | |
| C46 | O47 | sing | 1.43Å | 1.43Å | |
| C48 | H1 | sing | 1.09Å | 1.10Å | |
| C46 | H2 | sing | 1.09Å | 1.10Å | |
| C45 | H3 | sing | 1.09Å | 1.10Å | |
| C45 | H4 | sing | 1.09Å | 1.10Å | |
| C39 | H5 | sing | 1.09Å | 1.10Å | |
| C39 | H6 | sing | 1.09Å | 1.10Å | |
| C37 | H7 | sing | 1.09Å | 1.10Å | |
| C36 | H8 | sing | 1.09Å | 1.10Å | |
| C36 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C01 | H29 | sing | 1.09Å | 1.10Å | |
| C01 | H30 | sing | 1.09Å | 1.10Å | |
| C01 | H31 | sing | 1.09Å | 1.10Å | |
| C02 | H32 | sing | 1.09Å | 1.10Å | |
| C02 | H33 | sing | 1.09Å | 1.10Å | |
| C03 | H34 | sing | 1.09Å | 1.10Å | |
| C03 | H35 | sing | 1.09Å | 1.10Å | |
| C04 | H36 | sing | 1.09Å | 1.10Å | |
| C04 | H37 | sing | 1.09Å | 1.10Å | |
| C05 | H38 | sing | 1.09Å | 1.10Å | |
| C05 | H39 | sing | 1.09Å | 1.10Å | |
| C06 | H40 | sing | 1.09Å | 1.10Å | |
| C06 | H41 | sing | 1.09Å | 1.10Å | |
| C07 | H42 | sing | 1.09Å | 1.10Å | |
| C07 | H43 | sing | 1.09Å | 1.10Å | |
| C08 | H44 | sing | 1.09Å | 1.10Å | |
| C08 | H45 | sing | 1.09Å | 1.10Å | |
| C09 | H46 | sing | 1.09Å | 1.10Å | |
| C09 | H47 | sing | 1.09Å | 1.10Å | |
| C10 | H48 | sing | 1.09Å | 1.10Å | |
| C10 | H49 | sing | 1.09Å | 1.10Å | |
| C27 | H50 | sing | 1.09Å | 1.10Å | |
| C27 | H51 | sing | 1.09Å | 1.10Å | |
| C28 | H52 | sing | 1.09Å | 1.10Å | |
| C28 | H53 | sing | 1.09Å | 1.10Å | |
| C29 | H54 | sing | 1.09Å | 1.10Å | |
| C29 | H55 | sing | 1.09Å | 1.10Å | |
| C29 | H56 | sing | 1.09Å | 1.10Å | |
| C30 | H57 | sing | 1.09Å | 1.10Å | |
| C30 | H58 | sing | 1.09Å | 1.10Å | |
| C50 | H59 | sing | 1.09Å | 1.10Å | |
| C51 | H60 | sing | 1.09Å | 1.10Å | |
| C52 | H61 | sing | 1.09Å | 1.10Å | |
| C52 | H62 | sing | 1.09Å | 1.10Å | |
| O33 | H63 | sing | 0.97Å | 0.95Å | |
| O38 | H64 | sing | 0.97Å | 0.95Å | |
| O43 | H65 | sing | 0.97Å | 0.95Å | |
| O47 | H66 | sing | 0.97Å | 0.95Å | |
| O49 | H67 | sing | 0.97Å | 0.95Å | |
| O53 | H68 | sing | 0.97Å | 0.95Å | |
| O54 | H69 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 113.0° | 109.5° |
| C27 | C28 | C29 | 112.9° | 109.5° |
| C28 | C27 | H50 | 108.6° | 109.5° |
| C28 | C27 | H51 | 108.6° | 109.5° |
| C27 | C28 | H52 | 108.6° | 109.5° |
| C27 | C28 | H53 | 108.6° | 109.5° |
| C27 | C26 | C25 | 112.4° | 109.5° |
| C27 | C26 | H27 | 108.7° | 109.4° |
| C27 | C26 | H28 | 108.8° | 109.5° |
| C26 | C27 | H50 | 108.6° | 109.5° |
| C26 | C27 | H51 | 108.6° | 109.5° |
| C29 | C28 | H52 | 108.6° | 109.4° |
| C29 | C28 | H53 | 108.6° | 109.4° |
| C28 | C29 | H54 | 109.5° | 109.5° |
| C28 | C29 | H55 | 109.5° | 109.4° |
| C28 | C29 | H56 | 109.5° | 109.5° |
| C26 | C25 | C24 | 111.9° | 109.5° |
| C26 | C25 | H25 | 108.8° | 109.4° |
| C26 | C25 | H26 | 108.9° | 109.4° |
| C25 | C26 | H27 | 108.7° | 109.5° |
| C25 | C26 | H28 | 108.7° | 109.5° |
| C25 | C24 | C23 | 112.1° | 109.5° |
| C25 | C24 | H23 | 108.8° | 109.5° |
| C25 | C24 | H24 | 108.8° | 109.5° |
| C24 | C25 | H25 | 108.8° | 109.5° |
| C24 | C25 | H26 | 108.8° | 109.5° |
| C23 | C22 | C21 | 113.4° | 109.4° |
| C22 | C23 | C24 | 112.5° | 109.5° |
| C23 | C22 | H19 | 108.5° | 109.5° |
| C23 | C22 | H20 | 108.5° | 109.5° |
| C22 | C23 | H21 | 108.7° | 109.5° |
| C22 | C23 | H22 | 108.7° | 109.5° |
| C22 | C21 | C20 | 113.5° | 109.5° |
| C22 | C21 | H17 | 108.5° | 109.5° |
| C22 | C21 | H18 | 108.4° | 109.5° |
| C21 | C22 | H19 | 108.5° | 109.4° |
| C21 | C22 | H20 | 108.5° | 109.5° |
| C24 | C23 | H21 | 108.7° | 109.4° |
| C24 | C23 | H22 | 108.7° | 109.5° |
| C23 | C24 | H23 | 108.8° | 109.4° |
| C23 | C24 | H24 | 108.8° | 109.5° |
| C21 | C20 | C18 | 112.6° | 109.5° |
| C21 | C20 | H15 | 108.7° | 109.5° |
| C21 | C20 | H16 | 108.7° | 109.4° |
| C20 | C21 | H17 | 108.4° | 109.4° |
| C20 | C21 | H18 | 108.4° | 109.4° |
| C20 | C18 | O19 | 120.2° | 119.9° |
| C20 | C18 | O17 | 119.6° | 120.0° |
| C18 | C20 | H15 | 108.7° | 109.5° |
| C18 | C20 | H16 | 108.7° | 109.5° |
| O19 | C18 | O17 | 120.2° | 120.0° |
| C08 | C07 | C06 | 111.5° | 109.5° |
| C07 | C08 | C09 | 111.8° | 109.5° |
| C08 | C07 | H42 | 109.0° | 109.5° |
| C08 | C07 | H43 | 109.0° | 109.5° |
| C07 | C08 | H44 | 108.9° | 109.5° |
| C07 | C08 | H45 | 108.9° | 109.5° |
| C07 | C06 | C05 | 112.1° | 109.5° |
| C07 | C06 | H40 | 108.8° | 109.5° |
| C07 | C06 | H41 | 108.8° | 109.5° |
| C06 | C07 | H42 | 109.0° | 109.5° |
| C06 | C07 | H43 | 109.0° | 109.5° |
| C18 | O17 | C16 | 115.4° | 117.0° |
| C08 | C09 | C10 | 112.0° | 109.5° |
| C09 | C08 | H44 | 108.9° | 109.4° |
| C09 | C08 | H45 | 108.9° | 109.5° |
| C08 | C09 | H46 | 108.8° | 109.5° |
| C08 | C09 | H47 | 108.8° | 109.5° |
| C06 | C05 | C04 | 112.3° | 109.5° |
| C06 | C05 | H38 | 108.8° | 109.5° |
| C06 | C05 | H39 | 108.8° | 109.5° |
| C05 | C06 | H40 | 108.8° | 109.5° |
| C05 | C06 | H41 | 108.8° | 109.5° |
| C05 | C04 | C03 | 112.1° | 109.5° |
| C05 | C04 | H36 | 108.8° | 109.5° |
| C05 | C04 | H37 | 108.8° | 109.5° |
| C04 | C05 | H38 | 108.8° | 109.5° |
| C04 | C05 | H39 | 108.8° | 109.5° |
| O17 | C16 | C15 | 107.3° | 109.5° |
| O17 | C16 | H13 | 110.0° | 109.5° |
| O17 | C16 | H14 | 110.0° | 109.5° |
| C09 | C10 | C11 | 113.1° | 109.5° |
| C10 | C09 | H46 | 108.8° | 109.5° |
| C10 | C09 | H47 | 108.8° | 109.5° |
| C09 | C10 | H48 | 108.6° | 109.5° |
| C09 | C10 | H49 | 108.6° | 109.5° |
| C04 | C03 | C02 | 112.3° | 109.5° |
| C04 | C03 | H34 | 108.8° | 109.5° |
| C04 | C03 | H35 | 108.8° | 109.5° |
| C03 | C04 | H36 | 108.8° | 109.5° |
| C03 | C04 | H37 | 108.8° | 109.5° |
| C03 | C02 | C01 | 112.1° | 109.5° |
| C03 | C02 | H32 | 108.8° | 109.4° |
| C03 | C02 | H33 | 108.8° | 109.5° |
| C02 | C03 | H34 | 108.7° | 109.4° |
| C02 | C03 | H35 | 108.8° | 109.5° |
| C10 | C11 | C12 | 112.1° | 109.5° |
| C10 | C11 | H10 | 108.8° | 109.5° |
| C10 | C11 | H11 | 108.8° | 109.5° |
| C11 | C10 | H48 | 108.6° | 109.5° |
| C11 | C10 | H49 | 108.5° | 109.4° |
| C16 | C15 | O14 | 107.6° | 109.5° |
| C16 | C15 | C30 | 113.0° | 109.5° |
| C16 | C15 | H12 | 109.0° | 109.4° |
| C15 | C16 | H13 | 110.0° | 109.5° |
| C15 | C16 | H14 | 110.0° | 109.4° |
| C02 | C01 | H29 | 109.5° | 109.5° |
| C02 | C01 | H30 | 109.4° | 109.4° |
| C02 | C01 | H31 | 109.5° | 109.5° |
| C01 | C02 | H32 | 108.8° | 109.4° |
| C01 | C02 | H33 | 108.8° | 109.5° |
| C11 | C12 | O14 | 120.1° | 120.0° |
| C11 | C12 | O13 | 120.1° | 120.0° |
| C12 | C11 | H10 | 108.8° | 109.5° |
| C12 | C11 | H11 | 108.8° | 109.4° |
| O14 | C15 | C30 | 106.9° | 109.5° |
| C15 | O14 | C12 | 114.2° | 117.0° |
| O14 | C15 | H12 | 111.0° | 109.5° |
| C15 | C30 | O31 | 107.5° | 109.5° |
| C30 | C15 | H12 | 109.4° | 109.5° |
| C15 | C30 | H57 | 110.0° | 109.5° |
| C15 | C30 | H58 | 109.9° | 109.5° |
| O14 | C12 | O13 | 119.8° | 120.0° |
| C30 | O31 | P32 | 118.9° | 123.0° |
| O31 | C30 | H57 | 109.9° | 109.5° |
| O31 | C30 | H58 | 110.0° | 109.5° |
| O31 | P32 | O34 | 109.5° | 109.5° |
| O31 | P32 | O33 | 109.3° | 109.5° |
| O31 | P32 | O35 | 109.9° | 109.5° |
| O34 | P32 | O33 | 109.4° | 109.5° |
| O34 | P32 | O35 | 109.5° | 109.4° |
| O33 | P32 | O35 | 109.3° | 109.5° |
| P32 | O33 | H63 | 109.5° | 114.0° |
| P32 | O35 | C36 | 118.0° | 123.0° |
| O35 | C36 | C37 | 108.7° | 109.5° |
| O35 | C36 | H8 | 109.7° | 109.5° |
| O35 | C36 | H9 | 109.7° | 109.5° |
| O38 | C37 | C36 | 108.2° | 109.5° |
| O38 | C37 | C39 | 108.3° | 109.4° |
| O38 | C37 | H7 | 109.7° | 109.5° |
| C37 | O38 | H64 | 109.5° | 114.1° |
| C36 | C37 | C39 | 112.8° | 109.5° |
| C36 | C37 | H7 | 108.5° | 109.5° |
| C37 | C36 | H8 | 109.6° | 109.5° |
| C37 | C36 | H9 | 109.7° | 109.5° |
| C37 | C39 | O40 | 108.7° | 109.5° |
| C37 | C39 | H5 | 109.7° | 109.5° |
| C37 | C39 | H6 | 109.6° | 109.5° |
| C39 | C37 | H7 | 109.3° | 109.4° |
| O44 | C42 | C41 | 120.2° | 120.0° |
| O44 | C42 | O43 | 119.7° | 120.0° |
| C39 | O40 | C41 | 117.0° | 114.0° |
| O40 | C39 | H5 | 109.7° | 109.5° |
| O40 | C39 | H6 | 109.7° | 109.4° |
| O40 | C41 | OA0 | 106.9° | 109.5° |
| O40 | C41 | C42 | 110.3° | 109.5° |
| O40 | C41 | C45 | 109.7° | 109.5° |
| O53 | C52 | C51 | 108.0° | 109.5° |
| O53 | C52 | H61 | 109.8° | 109.4° |
| O53 | C52 | H62 | 109.9° | 109.5° |
| C52 | O53 | H68 | 109.5° | 114.0° |
| C41 | OA0 | C50 | 117.7° | 114.0° |
| OA0 | C41 | C42 | 107.6° | 109.4° |
| OA0 | C41 | C45 | 113.7° | 109.4° |
| OA0 | C50 | C51 | 108.1° | 109.5° |
| OA0 | C50 | C48 | 114.6° | 109.4° |
| OA0 | C50 | H59 | 109.4° | 109.5° |
| C41 | C42 | O43 | 120.1° | 120.0° |
| C42 | C41 | C45 | 108.6° | 109.5° |
| C42 | O43 | H65 | 109.5° | 117.0° |
| C41 | C45 | C46 | 112.8° | 109.1° |
| C41 | C45 | H3 | 108.7° | 109.5° |
| C41 | C45 | H4 | 108.7° | 109.6° |
| C52 | C51 | C50 | 113.5° | 109.5° |
| C52 | C51 | O54 | 107.6° | 109.4° |
| C52 | C51 | H60 | 109.1° | 109.5° |
| C51 | C52 | H61 | 109.8° | 109.5° |
| C51 | C52 | H62 | 109.8° | 109.5° |
| C50 | C51 | O54 | 107.9° | 109.5° |
| C51 | C50 | C48 | 108.9° | 109.4° |
| C51 | C50 | H59 | 107.2° | 109.5° |
| C50 | C51 | H60 | 107.8° | 109.5° |
| O54 | C51 | H60 | 111.1° | 109.5° |
| C51 | O54 | H69 | 109.5° | 114.0° |
| C50 | C48 | C46 | 114.1° | 109.1° |
| C50 | C48 | O49 | 109.4° | 109.5° |
| C50 | C48 | H1 | 107.4° | 109.6° |
| C48 | C50 | H59 | 108.4° | 109.5° |
| C45 | C46 | C48 | 112.9° | 109.0° |
| C45 | C46 | O47 | 109.8° | 109.5° |
| C45 | C46 | H2 | 108.4° | 109.6° |
| C46 | C45 | H3 | 108.6° | 109.5° |
| C46 | C45 | H4 | 108.6° | 109.5° |
| C46 | C48 | O49 | 108.7° | 109.5° |
| C48 | C46 | O47 | 108.9° | 109.6° |
| C46 | C48 | H1 | 108.0° | 109.5° |
| C48 | C46 | H2 | 108.1° | 109.6° |
| O49 | C48 | H1 | 109.1° | 109.5° |
| C48 | O49 | H67 | 109.5° | 114.0° |
| O47 | C46 | H2 | 108.6° | 109.5° |
| C46 | O47 | H66 | 109.5° | 114.0° |
| H3 | C45 | H4 | 109.5° | 109.6° |
| H5 | C39 | H6 | 109.4° | 109.5° |
| H8 | C36 | H9 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.4° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H27 | C26 | H28 | 109.5° | 109.4° |
| H29 | C01 | H30 | 109.5° | 109.5° |
| H29 | C01 | H31 | 109.5° | 109.5° |
| H30 | C01 | H31 | 109.5° | 109.4° |
| H32 | C02 | H33 | 109.5° | 109.5° |
| H34 | C03 | H35 | 109.4° | 109.4° |
| H36 | C04 | H37 | 109.4° | 109.5° |
| H38 | C05 | H39 | 109.4° | 109.5° |
| H40 | C06 | H41 | 109.5° | 109.4° |
| H42 | C07 | H43 | 109.5° | 109.4° |
| H44 | C08 | H45 | 109.4° | 109.5° |
| H46 | C09 | H47 | 109.5° | 109.4° |
| H48 | C10 | H49 | 109.5° | 109.5° |
| H50 | C27 | H51 | 109.5° | 109.5° |
| H52 | C28 | H53 | 109.5° | 109.5° |
| H54 | C29 | H55 | 109.5° | 109.5° |
| H54 | C29 | H56 | 109.4° | 109.5° |
| H55 | C29 | H56 | 109.4° | 109.5° |
| H57 | C30 | H58 | 109.5° | 109.4° |
| H61 | C52 | H62 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H50 | 120.5° | 120.0° |
| C28 | C27 | C26 | H51 | 120.5° | 120.0° |
| C27 | C28 | C29 | H52 | 120.5° | 120.0° |
| C27 | C28 | C29 | H53 | 120.5° | 120.0° |
| C28 | C27 | C26 | C25 | 177.2° | 180.0° |
| C28 | C27 | C26 | H27 | 62.4° | 60.0° |
| C28 | C27 | C26 | H28 | 56.8° | 59.9° |
| C28 | C27 | H50 | H51 | 118.4° | 120.0° |
| C27 | C28 | H52 | H53 | 118.4° | 120.0° |
| C27 | C28 | C29 | H54 | 180.0° | 60.0° |
| C27 | C28 | C29 | H55 | 60.0° | 60.0° |
| C27 | C28 | C29 | H56 | 60.0° | 180.0° |
| C26 | C27 | C28 | C29 | 39.1° | 180.0° |
| C27 | C26 | C25 | H27 | 120.4° | 120.0° |
| C27 | C26 | C25 | H28 | 120.5° | 120.0° |
| C27 | C26 | C25 | C24 | 161.4° | 180.0° |
| C27 | C26 | C25 | H25 | 41.1° | 60.0° |
| C27 | C26 | C25 | H26 | 78.2° | 59.9° |
| C27 | C26 | H27 | H28 | 118.7° | 119.9° |
| C26 | C27 | H50 | H51 | 118.4° | 120.0° |
| C26 | C27 | C28 | H52 | 81.4° | 60.0° |
| C26 | C27 | C28 | H53 | 159.6° | 60.0° |
| C29 | C28 | C27 | H50 | 81.4° | 60.0° |
| C29 | C28 | C27 | H51 | 159.6° | 60.0° |
| C29 | C28 | H52 | H53 | 118.4° | 120.0° |
| C28 | C29 | H54 | H55 | 120.0° | 120.0° |
| C28 | C29 | H54 | H56 | 120.0° | 120.0° |
| C28 | C29 | H55 | H56 | 120.0° | 120.0° |
| C26 | C25 | C24 | H25 | 120.4° | 120.0° |
| C26 | C25 | C24 | H26 | 120.4° | 120.0° |
| C26 | C25 | C24 | C23 | 104.6° | 180.0° |
| C26 | C25 | C24 | H23 | 134.9° | 60.0° |
| C26 | C25 | C24 | H24 | 15.7° | 60.0° |
| C26 | C25 | H25 | H26 | 118.9° | 119.9° |
| C25 | C26 | H27 | H28 | 118.6° | 120.0° |
| C25 | C26 | C27 | H50 | 56.7° | 60.0° |
| C25 | C26 | C27 | H51 | 62.2° | 60.0° |
| C25 | C24 | C23 | C22 | 74.2° | 180.0° |
| C25 | C24 | C23 | H23 | 120.4° | 120.0° |
| C25 | C24 | C23 | H24 | 120.4° | 120.0° |
| C25 | C24 | C23 | H21 | 46.3° | 60.0° |
| C25 | C24 | C23 | H22 | 165.4° | 60.0° |
| C25 | C24 | H23 | H24 | 118.8° | 120.1° |
| C24 | C25 | H25 | H26 | 118.9° | 120.1° |
| C24 | C25 | C26 | H27 | 78.2° | 60.0° |
| C24 | C25 | C26 | H28 | 41.0° | 60.0° |
| C23 | C22 | C21 | H19 | 120.6° | 120.0° |
| C23 | C22 | C21 | H20 | 120.6° | 120.0° |
| C22 | C23 | C24 | H21 | 120.4° | 120.0° |
| C22 | C23 | C24 | H22 | 120.5° | 120.1° |
| C23 | C22 | C21 | C20 | 3.1° | 180.0° |
| C23 | C22 | C21 | H17 | 123.7° | 60.1° |
| C23 | C22 | C21 | H18 | 117.4° | 60.0° |
| C23 | C22 | H19 | H20 | 118.2° | 120.1° |
| C22 | C23 | H21 | H22 | 118.6° | 120.1° |
| C22 | C23 | C24 | H23 | 46.2° | 60.0° |
| C22 | C23 | C24 | H24 | 165.4° | 59.9° |
| C21 | C22 | C23 | C24 | 122.5° | 180.0° |
| C22 | C21 | C20 | H17 | 120.6° | 120.0° |
| C22 | C21 | C20 | H18 | 120.6° | 120.0° |
| C22 | C21 | C20 | C18 | 172.5° | 180.0° |
| C22 | C21 | C20 | H15 | 52.0° | 60.0° |
| C22 | C21 | C20 | H16 | 67.1° | 60.0° |
| C22 | C21 | H17 | H18 | 118.2° | 120.1° |
| C21 | C22 | H19 | H20 | 118.2° | 120.0° |
| C21 | C22 | C23 | H21 | 117.1° | 60.0° |
| C21 | C22 | C23 | H22 | 2.0° | 60.0° |
| C24 | C23 | C22 | H19 | 116.9° | 60.1° |
| C24 | C23 | C22 | H20 | 1.9° | 60.0° |
| C24 | C23 | H21 | H22 | 118.6° | 120.0° |
| C23 | C24 | H23 | H24 | 118.8° | 120.0° |
| C23 | C24 | C25 | H25 | 15.7° | 60.0° |
| C23 | C24 | C25 | H26 | 135.0° | 60.0° |
| C21 | C20 | C18 | H15 | 120.5° | 120.0° |
| C21 | C20 | C18 | H16 | 120.4° | 120.0° |
| C21 | C20 | C18 | O19 | 23.0° | 0.0° |
| C21 | C20 | C18 | O17 | 157.1° | 180.0° |
| C21 | C20 | H15 | H16 | 118.6° | 120.0° |
| C20 | C21 | H17 | H18 | 118.1° | 120.0° |
| C20 | C21 | C22 | H19 | 117.5° | 60.0° |
| C20 | C21 | C22 | H20 | 123.7° | 60.0° |
| C20 | C18 | O19 | O17 | 179.9° | 180.0° |
| C20 | C18 | O17 | C16 | 153.1° | 180.0° |
| C18 | C20 | H15 | H16 | 118.6° | 120.0° |
| C18 | C20 | C21 | H17 | 66.9° | 59.9° |
| C18 | C20 | C21 | H18 | 51.9° | 60.0° |
| O19 | C18 | O17 | C16 | 27.0° | 0.0° |
| O19 | C18 | C20 | H15 | 97.5° | 120.0° |
| O19 | C18 | C20 | H16 | 143.4° | 120.0° |
| C08 | C07 | C06 | H42 | 120.3° | 120.0° |
| C08 | C07 | C06 | H43 | 120.3° | 120.0° |
| C07 | C08 | C09 | H44 | 120.4° | 120.0° |
| C07 | C08 | C09 | H45 | 120.4° | 120.0° |
| C08 | C07 | C06 | C05 | 137.9° | 180.0° |
| C07 | C08 | C09 | C10 | 177.6° | 180.0° |
| C08 | C07 | C06 | H40 | 101.8° | 60.0° |
| C08 | C07 | C06 | H41 | 17.5° | 60.0° |
| C08 | C07 | H42 | H43 | 119.1° | 120.0° |
| C07 | C08 | H44 | H45 | 119.0° | 120.0° |
| C07 | C08 | C09 | H46 | 57.3° | 60.0° |
| C07 | C08 | C09 | H47 | 62.0° | 60.0° |
| C06 | C07 | C08 | C09 | 50.8° | 180.0° |
| C07 | C06 | C05 | H40 | 120.4° | 120.1° |
| C07 | C06 | C05 | H41 | 120.4° | 120.0° |
| C07 | C06 | C05 | C04 | 175.6° | 180.0° |
| C07 | C06 | C05 | H38 | 64.0° | 60.0° |
| C07 | C06 | C05 | H39 | 55.1° | 60.0° |
| C07 | C06 | H40 | H41 | 118.8° | 120.0° |
| C06 | C07 | H42 | H43 | 119.1° | 120.0° |
| C06 | C07 | C08 | H44 | 69.6° | 60.0° |
| C06 | C07 | C08 | H45 | 171.1° | 60.0° |
| C18 | O17 | C16 | C15 | 161.7° | 180.0° |
| C18 | O17 | C16 | H13 | 42.0° | 60.0° |
| C18 | O17 | C16 | H14 | 78.7° | 60.0° |
| O17 | C18 | C20 | H15 | 82.4° | 60.0° |
| O17 | C18 | C20 | H16 | 36.7° | 60.0° |
| C08 | C09 | C10 | H46 | 120.4° | 120.0° |
| C08 | C09 | C10 | H47 | 120.4° | 120.0° |
| C08 | C09 | C10 | C11 | 120.5° | 180.0° |
| C09 | C08 | C07 | H42 | 69.6° | 60.0° |
| C09 | C08 | C07 | H43 | 171.1° | 60.0° |
| C09 | C08 | H44 | H45 | 118.9° | 120.0° |
| C08 | C09 | H46 | H47 | 118.9° | 120.0° |
| C08 | C09 | C10 | H48 | 0.0° | 60.0° |
| C08 | C09 | C10 | H49 | 118.9° | 60.0° |
| C06 | C05 | C04 | H38 | 120.4° | 120.0° |
| C06 | C05 | C04 | H39 | 120.4° | 120.0° |
| C06 | C05 | C04 | C03 | 179.3° | 180.0° |
| C06 | C05 | C04 | H36 | 60.3° | 60.0° |
| C06 | C05 | C04 | H37 | 58.8° | 60.0° |
| C06 | C05 | H38 | H39 | 118.7° | 120.0° |
| C05 | C06 | H40 | H41 | 118.8° | 120.0° |
| C05 | C06 | C07 | H42 | 17.6° | 59.9° |
| C05 | C06 | C07 | H43 | 101.8° | 60.0° |
| C05 | C04 | C03 | H36 | 120.4° | 120.0° |
| C05 | C04 | C03 | H37 | 120.4° | 120.0° |
| C05 | C04 | C03 | C02 | 156.7° | 180.0° |
| C05 | C04 | C03 | H34 | 36.3° | 60.0° |
| C05 | C04 | C03 | H35 | 82.8° | 60.0° |
| C05 | C04 | H36 | H37 | 118.8° | 120.0° |
| C04 | C05 | H38 | H39 | 118.7° | 120.0° |
| C04 | C05 | C06 | H40 | 55.2° | 60.0° |
| C04 | C05 | C06 | H41 | 64.0° | 60.0° |
| O17 | C16 | C15 | H13 | 119.6° | 120.0° |
| O17 | C16 | C15 | H14 | 119.7° | 120.0° |
| O17 | C16 | C15 | O14 | 21.6° | 65.0° |
| O17 | C16 | C15 | C30 | 139.4° | 175.0° |
| O17 | C16 | C15 | H12 | 98.8° | 55.0° |
| O17 | C16 | H13 | H14 | 121.0° | 120.0° |
| C09 | C10 | C11 | H48 | 120.5° | 120.0° |
| C09 | C10 | C11 | H49 | 120.5° | 120.0° |
| C09 | C10 | C11 | C12 | 137.2° | 180.0° |
| C09 | C10 | C11 | H10 | 16.7° | 60.0° |
| C09 | C10 | C11 | H11 | 102.5° | 60.0° |
| C10 | C09 | C08 | H44 | 62.0° | 60.0° |
| C10 | C09 | C08 | H45 | 57.3° | 60.0° |
| C10 | C09 | H46 | H47 | 118.8° | 120.0° |
| C09 | C10 | H48 | H49 | 118.4° | 120.0° |
| C04 | C03 | C02 | H34 | 120.4° | 120.0° |
| C04 | C03 | C02 | H35 | 120.4° | 120.0° |
| C04 | C03 | C02 | C01 | 164.1° | 179.9° |
| C04 | C03 | C02 | H32 | 75.5° | 60.0° |
| C04 | C03 | C02 | H33 | 43.7° | 60.0° |
| C04 | C03 | H34 | H35 | 118.7° | 120.0° |
| C03 | C04 | H36 | H37 | 118.8° | 120.0° |
| C03 | C04 | C05 | H38 | 58.8° | 60.0° |
| C03 | C04 | C05 | H39 | 60.3° | 60.0° |
| C03 | C02 | C01 | H32 | 120.4° | 119.9° |
| C03 | C02 | C01 | H33 | 120.4° | 120.0° |
| C03 | C02 | C01 | H29 | 180.0° | 60.0° |
| C03 | C02 | C01 | H30 | 60.0° | 60.1° |
| C03 | C02 | C01 | H31 | 60.0° | 180.0° |
| C03 | C02 | H32 | H33 | 118.8° | 120.0° |
| C02 | C03 | H34 | H35 | 118.7° | 120.0° |
| C02 | C03 | C04 | H36 | 82.9° | 60.0° |
| C02 | C03 | C04 | H37 | 36.3° | 60.0° |
| C10 | C11 | C12 | H10 | 120.4° | 120.0° |
| C10 | C11 | C12 | H11 | 120.4° | 120.0° |
| C10 | C11 | C12 | O14 | 20.0° | 180.0° |
| C10 | C11 | C12 | O13 | 159.7° | 0.0° |
| C10 | C11 | H10 | H11 | 118.8° | 120.1° |
| C11 | C10 | C09 | H46 | 119.1° | 60.0° |
| C11 | C10 | C09 | H47 | 0.1° | 60.0° |
| C11 | C10 | H48 | H49 | 118.3° | 120.0° |
| C16 | C15 | O14 | C30 | 121.7° | 120.0° |
| C16 | C15 | O14 | H12 | 119.1° | 119.9° |
| C16 | C15 | C30 | H12 | 121.6° | 120.0° |
| C16 | C15 | O14 | C12 | 140.8° | 150.0° |
| C16 | C15 | C30 | O31 | 103.7° | 175.0° |
| C15 | C16 | H13 | H14 | 121.0° | 120.0° |
| C16 | C15 | C30 | H57 | 136.6° | 65.0° |
| C16 | C15 | C30 | H58 | 16.0° | 55.0° |
| C02 | C01 | H29 | H30 | 120.0° | 120.0° |
| C02 | C01 | H29 | H31 | 120.0° | 120.0° |
| C02 | C01 | H30 | H31 | 120.0° | 119.9° |
| C01 | C02 | H32 | H33 | 118.8° | 120.0° |
| C01 | C02 | C03 | H34 | 43.7° | 60.0° |
| C01 | C02 | C03 | H35 | 75.5° | 59.9° |
| C11 | C12 | O14 | C15 | 90.0° | 180.0° |
| C11 | C12 | O14 | O13 | 179.7° | 180.0° |
| C12 | C11 | H10 | H11 | 118.8° | 120.0° |
| C12 | C11 | C10 | H48 | 102.3° | 60.0° |
| C12 | C11 | C10 | H49 | 16.6° | 60.0° |
| O14 | C15 | C30 | H12 | 120.2° | 120.0° |
| C15 | O14 | C12 | O13 | 90.3° | 0.1° |
| O14 | C15 | C30 | O31 | 14.5° | 65.0° |
| O14 | C15 | C16 | H13 | 141.3° | 55.1° |
| O14 | C15 | C16 | H14 | 98.0° | 175.0° |
| O14 | C15 | C30 | H57 | 105.2° | 55.0° |
| O14 | C15 | C30 | H58 | 134.2° | 175.0° |
| C30 | C15 | O14 | C12 | 97.5° | 90.0° |
| C15 | C30 | O31 | H57 | 119.7° | 120.0° |
| C15 | C30 | O31 | H58 | 119.7° | 120.1° |
| C15 | C30 | O31 | P32 | 152.2° | 180.0° |
| C30 | C15 | C16 | H13 | 101.0° | 65.0° |
| C30 | C15 | C16 | H14 | 19.7° | 55.0° |
| C15 | C30 | H57 | H58 | 120.9° | 120.0° |
| O14 | C12 | C11 | H10 | 140.5° | 60.0° |
| O14 | C12 | C11 | H11 | 100.4° | 60.0° |
| C12 | O14 | C15 | H12 | 21.7° | 30.1° |
| O13 | C12 | C11 | H10 | 39.3° | 120.0° |
| O13 | C12 | C11 | H11 | 79.9° | 120.0° |
| C30 | O31 | P32 | O34 | 59.4° | 55.0° |
| C30 | O31 | P32 | O33 | 179.2° | 65.0° |
| C30 | O31 | P32 | O35 | 60.8° | 175.0° |
| O31 | C30 | C15 | H12 | 134.7° | 55.1° |
| O31 | C30 | H57 | H58 | 120.9° | 120.0° |
| O31 | P32 | O34 | O33 | 119.7° | 120.0° |
| O31 | P32 | O34 | O35 | 120.5° | 120.0° |
| O31 | P32 | O33 | O35 | 120.3° | 120.0° |
| O31 | P32 | O35 | C36 | 153.0° | 175.0° |
| P32 | O31 | C30 | H57 | 32.5° | 60.0° |
| P32 | O31 | C30 | H58 | 88.1° | 59.9° |
| O31 | P32 | O33 | H63 | 119.8° | 60.0° |
| O34 | P32 | O33 | O35 | 119.8° | 119.9° |
| O34 | P32 | O35 | C36 | 86.7° | 55.0° |
| O34 | P32 | O33 | H63 | 0.0° | 180.0° |
| O33 | P32 | O35 | C36 | 33.0° | 65.0° |
| P32 | O35 | C36 | C37 | 151.1° | 180.0° |
| P32 | O35 | C36 | H8 | 89.0° | 60.0° |
| P32 | O35 | C36 | H9 | 31.2° | 60.0° |
| O35 | P32 | O33 | H63 | 119.9° | 60.0° |
| O35 | C36 | C37 | O38 | 61.4° | 65.0° |
| O35 | C36 | C37 | H8 | 119.9° | 120.0° |
| O35 | C36 | C37 | H9 | 119.9° | 120.0° |
| O35 | C36 | C37 | C39 | 178.8° | 175.0° |
| O35 | C36 | C37 | H7 | 57.6° | 55.1° |
| O35 | C36 | H8 | H9 | 120.4° | 120.0° |
| O38 | C37 | C36 | C39 | 119.8° | 120.0° |
| O38 | C37 | C36 | H7 | 119.0° | 120.1° |
| O38 | C37 | C39 | H7 | 119.5° | 120.0° |
| O38 | C37 | C39 | O40 | 41.1° | 65.0° |
| O38 | C37 | C39 | H5 | 161.0° | 175.0° |
| O38 | C37 | C39 | H6 | 78.8° | 55.0° |
| O38 | C37 | C36 | H8 | 178.7° | 55.0° |
| O38 | C37 | C36 | H9 | 58.5° | 175.0° |
| C36 | C37 | C39 | H7 | 120.8° | 120.0° |
| C36 | C37 | C39 | O40 | 160.8° | 175.0° |
| C36 | C37 | C39 | H5 | 79.3° | 55.0° |
| C36 | C37 | C39 | H6 | 40.9° | 65.0° |
| C37 | C36 | H8 | H9 | 120.4° | 120.0° |
| C36 | C37 | O38 | H64 | 180.0° | 60.0° |
| C37 | C39 | O40 | H5 | 119.9° | 120.0° |
| C37 | C39 | O40 | H6 | 119.9° | 120.0° |
| C37 | C39 | O40 | C41 | 129.3° | 180.0° |
| C37 | C39 | H5 | H6 | 120.3° | 120.0° |
| C39 | C37 | C36 | H8 | 59.0° | 65.0° |
| C39 | C37 | C36 | H9 | 61.3° | 55.0° |
| C39 | C37 | O38 | H64 | 57.4° | 60.0° |
| O44 | C42 | C41 | O40 | 61.8° | 115.0° |
| O44 | C42 | C41 | OA0 | 54.4° | 5.1° |
| O44 | C42 | C41 | O43 | 180.0° | 180.0° |
| O44 | C42 | C41 | C45 | 177.9° | 125.0° |
| O44 | C42 | O43 | H65 | 0.0° | 0.1° |
| C39 | O40 | C41 | OA0 | 167.3° | 55.0° |
| C39 | O40 | C41 | C42 | 50.6° | 65.0° |
| C39 | O40 | C41 | C45 | 69.0° | 175.0° |
| O40 | C39 | H5 | H6 | 120.4° | 120.0° |
| O40 | C39 | C37 | H7 | 78.4° | 55.0° |
| O40 | C41 | OA0 | C42 | 118.5° | 120.0° |
| O40 | C41 | OA0 | C45 | 121.2° | 120.0° |
| O40 | C41 | OA0 | C50 | 95.8° | 58.8° |
| O40 | C41 | C42 | C45 | 120.3° | 120.1° |
| O40 | C41 | C42 | O43 | 118.2° | 65.1° |
| O40 | C41 | C45 | C46 | 145.4° | 62.4° |
| O40 | C41 | C45 | H3 | 94.2° | 57.5° |
| O40 | C41 | C45 | H4 | 24.9° | 177.7° |
| C41 | O40 | C39 | H5 | 9.4° | 60.0° |
| C41 | O40 | C39 | H6 | 110.8° | 60.0° |
| O53 | C52 | C51 | H61 | 119.8° | 120.0° |
| O53 | C52 | C51 | H62 | 119.8° | 120.0° |
| O53 | C52 | C51 | C50 | 135.5° | 175.0° |
| O53 | C52 | C51 | O54 | 105.2° | 65.0° |
| O53 | C52 | C51 | H60 | 15.3° | 55.0° |
| O53 | C52 | H61 | H62 | 120.7° | 120.0° |
| OA0 | C41 | C42 | C45 | 123.5° | 119.9° |
| OA0 | C41 | C42 | O43 | 125.6° | 174.9° |
| C41 | OA0 | C50 | C51 | 165.6° | 178.9° |
| C41 | OA0 | C50 | C48 | 44.0° | 61.2° |
| OA0 | C41 | C45 | C46 | 25.8° | 57.6° |
| OA0 | C41 | C45 | H3 | 146.2° | 177.5° |
| OA0 | C41 | C45 | H4 | 94.7° | 62.3° |
| C41 | OA0 | C50 | H59 | 78.0° | 58.8° |
| C50 | OA0 | C41 | C42 | 145.7° | 178.8° |
| C50 | OA0 | C41 | C45 | 25.4° | 61.2° |
| OA0 | C50 | C51 | C52 | 148.0° | 60.1° |
| OA0 | C50 | C51 | C48 | 125.1° | 119.9° |
| OA0 | C50 | C51 | H59 | 117.9° | 120.1° |
| OA0 | C50 | C51 | O54 | 92.9° | 179.9° |
| OA0 | C50 | C48 | H59 | 122.5° | 120.0° |
| OA0 | C50 | C48 | C46 | 10.4° | 57.7° |
| OA0 | C50 | C48 | O49 | 132.3° | 177.5° |
| OA0 | C50 | C48 | H1 | 109.3° | 62.3° |
| OA0 | C50 | C51 | H60 | 27.1° | 59.9° |
| C42 | C41 | C45 | C46 | 94.0° | 177.6° |
| C42 | C41 | C45 | H3 | 26.4° | 62.5° |
| C42 | C41 | C45 | H4 | 145.5° | 57.7° |
| C41 | C42 | O43 | H65 | 179.9° | 180.0° |
| O43 | C42 | C41 | C45 | 2.0° | 55.0° |
| C41 | C45 | C46 | H3 | 120.5° | 119.9° |
| C41 | C45 | C46 | H4 | 120.5° | 120.0° |
| C41 | C45 | C46 | C48 | 59.2° | 57.0° |
| C41 | C45 | C46 | O47 | 62.6° | 176.9° |
| C41 | C45 | C46 | H2 | 178.9° | 63.0° |
| C41 | C45 | H3 | H4 | 118.5° | 120.2° |
| C52 | C51 | C50 | O54 | 119.1° | 120.0° |
| C52 | C51 | C50 | H60 | 120.9° | 120.0° |
| C52 | C51 | O54 | H60 | 119.3° | 120.0° |
| C52 | C51 | C50 | C48 | 86.9° | 180.0° |
| C52 | C51 | C50 | H59 | 30.2° | 60.0° |
| C51 | C52 | H61 | H62 | 120.6° | 120.0° |
| C51 | C52 | O53 | H68 | 180.0° | 179.9° |
| C52 | C51 | O54 | H69 | 180.0° | 60.0° |
| C50 | C51 | O54 | H60 | 117.9° | 120.1° |
| C51 | C50 | C48 | H59 | 116.3° | 120.0° |
| C51 | C50 | C48 | C46 | 131.5° | 177.6° |
| C51 | C50 | C48 | O49 | 106.5° | 62.5° |
| C51 | C50 | C48 | H1 | 11.9° | 57.7° |
| C50 | C51 | C52 | H61 | 15.7° | 65.0° |
| C50 | C51 | C52 | H62 | 104.7° | 55.0° |
| C50 | C51 | O54 | H69 | 57.2° | 60.0° |
| O54 | C51 | C50 | C48 | 32.2° | 60.0° |
| O54 | C51 | C50 | H59 | 149.2° | 60.0° |
| O54 | C51 | C52 | H61 | 135.0° | 55.0° |
| O54 | C51 | C52 | H62 | 14.6° | 175.0° |
| C50 | C48 | C46 | C45 | 40.2° | 57.0° |
| C50 | C48 | C46 | O49 | 122.4° | 119.9° |
| C50 | C48 | C46 | H1 | 119.3° | 120.0° |
| C50 | C48 | O49 | H1 | 117.3° | 120.2° |
| C50 | C48 | C46 | O47 | 82.1° | 176.9° |
| C50 | C48 | C46 | H2 | 160.1° | 62.9° |
| C48 | C50 | C51 | H60 | 152.2° | 60.0° |
| C50 | C48 | O49 | H67 | 180.0° | 179.7° |
| C45 | C46 | C48 | O47 | 122.3° | 119.8° |
| C45 | C46 | C48 | H2 | 119.9° | 119.9° |
| C45 | C46 | C48 | O49 | 82.2° | 176.9° |
| C45 | C46 | O47 | H2 | 118.3° | 120.2° |
| C45 | C46 | C48 | H1 | 159.5° | 63.0° |
| C46 | C45 | H3 | H4 | 118.5° | 120.1° |
| C45 | C46 | O47 | H66 | 180.0° | 60.4° |
| C46 | C48 | O49 | H1 | 117.6° | 120.1° |
| C48 | C46 | O47 | H2 | 117.5° | 120.3° |
| C48 | C46 | C45 | H3 | 179.6° | 176.9° |
| C48 | C46 | C45 | H4 | 61.3° | 62.9° |
| C46 | C48 | C50 | H59 | 112.2° | 62.3° |
| C48 | C46 | O47 | H66 | 55.9° | 179.9° |
| C46 | C48 | O49 | H67 | 54.9° | 60.0° |
| O49 | C48 | C46 | O47 | 155.5° | 63.3° |
| O49 | C48 | C46 | H2 | 37.7° | 57.0° |
| O49 | C48 | C50 | H59 | 9.8° | 57.5° |
| O47 | C46 | C48 | H1 | 37.2° | 56.9° |
| O47 | C46 | C45 | H3 | 57.9° | 63.3° |
| O47 | C46 | C45 | H4 | 176.9° | 56.9° |
| H1 | C48 | C46 | H2 | 80.6° | 177.1° |
| H1 | C48 | C50 | H59 | 128.2° | 177.7° |
| H1 | C48 | O49 | H67 | 62.7° | 60.1° |
| H2 | C46 | C45 | H3 | 60.6° | 56.9° |
| H2 | C46 | C45 | H4 | 58.4° | 177.1° |
| H2 | C46 | O47 | H66 | 61.7° | 59.8° |
| H5 | C39 | C37 | H7 | 41.5° | 65.0° |
| H6 | C39 | C37 | H7 | 161.7° | 175.0° |
| H7 | C37 | C36 | H8 | 62.3° | 175.0° |
| H7 | C37 | C36 | H9 | 177.5° | 65.0° |
| H7 | C37 | O38 | H64 | 61.8° | 180.0° |
| H10 | C11 | C10 | H48 | 137.3° | 180.0° |
| H10 | C11 | C10 | H49 | 103.8° | 60.0° |
| H11 | C11 | C10 | H48 | 18.1° | 59.9° |
| H11 | C11 | C10 | H49 | 137.0° | 180.0° |
| H12 | C15 | C16 | H13 | 20.9° | 175.0° |
| H12 | C15 | C16 | H14 | 141.6° | 65.0° |
| H12 | C15 | C30 | H57 | 15.0° | 175.1° |
| H12 | C15 | C30 | H58 | 105.6° | 65.0° |
| H15 | C20 | C21 | H17 | 172.6° | 180.0° |
| H15 | C20 | C21 | H18 | 68.6° | 60.0° |
| H16 | C20 | C21 | H17 | 53.6° | 60.0° |
| H16 | C20 | C21 | H18 | 172.4° | 180.0° |
| H17 | C21 | C22 | H19 | 3.1° | 180.0° |
| H17 | C21 | C22 | H20 | 115.7° | 60.0° |
| H18 | C21 | C22 | H19 | 122.0° | 60.0° |
| H18 | C21 | C22 | H20 | 3.2° | 180.0° |
| H19 | C22 | C23 | H21 | 3.5° | NaN° |
| H19 | C22 | C23 | H22 | 122.6° | 60.0° |
| H20 | C22 | C23 | H21 | 122.3° | 60.0° |
| H20 | C22 | C23 | H22 | 118.6° | 180.0° |
| H21 | C23 | C24 | H23 | 166.7° | 180.0° |
| H21 | C23 | C24 | H24 | 74.1° | 60.0° |
| H22 | C23 | C24 | H23 | 74.2° | 60.0° |
| H22 | C23 | C24 | H24 | 45.0° | 180.0° |
| H23 | C24 | C25 | H25 | 104.7° | 180.0° |
| H23 | C24 | C25 | H26 | 14.6° | 60.0° |
| H24 | C24 | C25 | H25 | 136.1° | 60.0° |
| H24 | C24 | C25 | H26 | 104.6° | 180.0° |
| H25 | C25 | C26 | H27 | 161.5° | 180.0° |
| H25 | C25 | C26 | H28 | 79.4° | 60.0° |
| H26 | C25 | C26 | H27 | 42.2° | 60.0° |
| H26 | C25 | C26 | H28 | 161.3° | 180.0° |
| H27 | C26 | C27 | H50 | 177.1° | 180.0° |
| H27 | C26 | C27 | H51 | 58.2° | 60.1° |
| H28 | C26 | C27 | H50 | 63.7° | 60.1° |
| H28 | C26 | C27 | H51 | 177.3° | 180.0° |
| H29 | C01 | H30 | H31 | 120.0° | 120.0° |
| H29 | C01 | C02 | H32 | 59.6° | 60.0° |
| H29 | C01 | C02 | H33 | 59.6° | NaN° |
| H30 | C01 | C02 | H32 | 179.6° | 180.0° |
| H30 | C01 | C02 | H33 | 60.4° | 60.0° |
| H31 | C01 | C02 | H32 | 60.4° | 60.1° |
| H31 | C01 | C02 | H33 | 179.6° | 59.9° |
| H32 | C02 | C03 | H34 | 164.0° | 179.9° |
| H32 | C02 | C03 | H35 | 44.9° | 60.0° |
| H33 | C02 | C03 | H34 | 76.7° | 60.0° |
| H33 | C02 | C03 | H35 | 164.2° | 180.0° |
| H34 | C03 | C04 | H36 | 156.7° | 180.0° |
| H34 | C03 | C04 | H37 | 84.1° | 60.0° |
| H35 | C03 | C04 | H36 | 37.6° | 60.0° |
| H35 | C03 | C04 | H37 | 156.7° | 180.0° |
| H36 | C04 | C05 | H38 | 179.3° | 180.0° |
| H36 | C04 | C05 | H39 | 60.1° | 60.0° |
| H37 | C04 | C05 | H38 | 61.6° | 60.0° |
| H37 | C04 | C05 | H39 | 179.3° | 180.0° |
| H38 | C05 | C06 | H40 | 175.6° | 180.0° |
| H38 | C05 | C06 | H41 | 56.4° | 60.0° |
| H39 | C05 | C06 | H40 | 65.2° | 60.0° |
| H39 | C05 | C06 | H41 | 175.5° | 180.0° |
| H40 | C06 | C07 | H42 | 137.9° | 180.0° |
| H40 | C06 | C07 | H43 | 18.6° | 60.0° |
| H41 | C06 | C07 | H42 | 102.8° | 60.0° |
| H41 | C06 | C07 | H43 | 137.8° | 180.0° |
| H42 | C07 | C08 | H44 | 170.1° | 179.9° |
| H42 | C07 | C08 | H45 | 50.8° | 60.0° |
| H43 | C07 | C08 | H44 | 50.7° | 60.0° |
| H43 | C07 | C08 | H45 | 68.6° | 180.0° |
| H44 | C08 | C09 | H46 | 177.6° | 180.0° |
| H44 | C08 | C09 | H47 | 58.4° | 60.0° |
| H45 | C08 | C09 | H46 | 63.1° | 60.0° |
| H45 | C08 | C09 | H47 | 177.6° | 180.0° |
| H46 | C09 | C10 | H48 | 120.4° | 60.0° |
| H46 | C09 | C10 | H49 | 1.4° | 179.9° |
| H47 | C09 | C10 | H48 | 120.4° | 180.0° |
| H47 | C09 | C10 | H49 | 120.7° | 60.0° |
| H50 | C27 | C28 | H52 | 158.1° | 180.0° |
| H50 | C27 | C28 | H53 | 39.1° | 60.0° |
| H51 | C27 | C28 | H52 | 39.1° | 60.0° |
| H51 | C27 | C28 | H53 | 79.9° | 180.0° |
| H52 | C28 | C29 | H54 | 59.5° | 180.0° |
| H52 | C28 | C29 | H55 | 179.5° | 60.0° |
| H52 | C28 | C29 | H56 | 60.5° | 60.0° |
| H53 | C28 | C29 | H54 | 59.5° | 60.0° |
| H53 | C28 | C29 | H55 | 60.5° | 180.0° |
| H53 | C28 | C29 | H56 | 179.5° | 60.0° |
| H54 | C29 | H55 | H56 | 120.0° | 120.0° |
| H59 | C50 | C51 | H60 | 90.7° | 180.0° |
| H60 | C51 | C52 | H61 | 104.4° | 174.9° |
| H60 | C51 | C52 | H62 | 135.1° | 65.1° |
| H60 | C51 | O54 | H69 | 60.7° | 180.0° |
| H61 | C52 | O53 | H68 | 60.2° | 60.0° |
| H62 | C52 | O53 | H68 | 60.2° | 59.9° |
