KUJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C15 | sing | 1.53Å | 1.55Å | |
| O03 | C15 | sing | 1.43Å | 1.44Å | |
| O03 | C16 | sing | 1.43Å | 1.40Å | |
| C15 | C14 | sing | 1.53Å | 1.46Å | |
| C18 | C14 | sing | 1.54Å | 1.53Å | |
| C18 | C19 | sing | 1.55Å | 1.31Å | |
| O07 | C34 | sing | 1.45Å | 1.41Å | |
| O07 | C35 | sing | 1.34Å | 1.38Å | |
| C14 | O02 | sing | 1.44Å | 1.53Å | |
| C34 | C33 | sing | 1.51Å | 1.52Å | |
| O08 | C35 | doub | 1.22Å | 1.22Å | |
| C19 | C20 | sing | 1.53Å | 1.61Å | |
| C19 | C13 | sing | 1.55Å | 1.62Å | |
| C35 | C32 | sing | 1.47Å | 1.36Å | |
| O02 | C13 | sing | 1.44Å | 1.28Å | |
| C13 | C11 | sing | 1.53Å | 1.55Å | |
| C33 | C32 | sing | 1.47Å | 1.38Å | |
| C33 | O06 | doub | 1.21Å | 1.22Å | |
| C32 | C31 | doub | 1.38Å | 1.35Å | |
| C31 | C29 | sing | 1.51Å | 1.53Å | |
| C31 | O05 | sing | 1.35Å | 1.35Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.55Å | |
| O05 | C21 | sing | 1.45Å | 1.40Å | |
| C10 | C09 | doub | 1.31Å | 1.39Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C28 | C26 | sing | 1.53Å | 1.54Å | |
| C28 | C22 | sing | 1.53Å | 1.55Å | |
| C09 | C08 | sing | 1.51Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | C02 | sing | 1.51Å | 1.56Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| O01 | C01 | sing | 1.43Å | 1.41Å | |
| O04 | C08 | sing | 1.43Å | 1.38Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C08 | C07 | sing | 1.53Å | 1.55Å | |
| C07 | C06 | sing | 1.53Å | 1.59Å | |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C02 | C03 | doub | 1.31Å | 1.37Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C03 | C04 | sing | 1.51Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C06 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.50Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | H44 | sing | 1.09Å | 1.10Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C34 | H53 | sing | 1.09Å | 1.10Å | |
| C34 | H54 | sing | 1.09Å | 1.10Å | |
| O01 | H55 | sing | 0.97Å | 0.95Å | |
| O04 | H56 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C15 | O03 | 110.3° | 109.5° |
| C17 | C15 | C14 | 110.0° | 109.5° |
| C17 | C15 | H21 | 107.3° | 109.5° |
| C15 | C17 | H25 | 109.5° | 109.5° |
| C15 | C17 | H26 | 109.5° | 109.4° |
| C15 | C17 | H27 | 109.4° | 109.4° |
| C15 | O03 | C16 | 117.3° | 114.0° |
| O03 | C15 | C14 | 111.8° | 109.5° |
| O03 | C15 | H21 | 108.8° | 109.5° |
| O03 | C16 | H22 | 109.5° | 109.4° |
| O03 | C16 | H23 | 109.4° | 109.5° |
| O03 | C16 | H24 | 109.5° | 109.5° |
| C15 | C14 | C18 | 115.3° | 109.9° |
| C15 | C14 | O02 | 111.9° | 109.9° |
| C15 | C14 | H20 | 108.8° | 109.8° |
| C14 | C15 | H21 | 108.5° | 109.5° |
| C14 | C18 | C19 | 104.8° | 104.2° |
| C18 | C14 | O02 | 104.6° | 107.2° |
| C18 | C14 | H20 | 107.9° | 110.0° |
| C14 | C18 | H28 | 110.6° | 110.5° |
| C14 | C18 | H29 | 110.6° | 110.5° |
| C18 | C19 | C20 | 111.6° | 110.9° |
| C18 | C19 | C13 | 103.9° | 102.1° |
| C19 | C18 | H28 | 110.6° | 110.5° |
| C19 | C18 | H29 | 110.6° | 110.5° |
| C18 | C19 | H30 | 113.7° | 110.9° |
| C34 | O07 | C35 | 106.0° | 110.4° |
| O07 | C34 | C33 | 106.0° | 106.7° |
| O07 | C34 | H53 | 110.3° | 110.1° |
| O07 | C34 | H54 | 110.3° | 110.0° |
| O07 | C35 | O08 | 118.9° | 124.7° |
| O07 | C35 | C32 | 114.0° | 110.7° |
| C14 | O02 | C13 | 106.8° | 107.0° |
| O02 | C14 | H20 | 107.9° | 109.9° |
| C34 | C33 | C32 | 106.1° | 105.0° |
| C34 | C33 | O06 | 119.9° | 127.5° |
| C33 | C34 | H53 | 110.3° | 110.0° |
| C33 | C34 | H54 | 110.3° | 110.0° |
| O08 | C35 | C32 | 127.1° | 124.6° |
| C20 | C19 | C13 | 109.5° | 110.9° |
| C20 | C19 | H30 | 109.1° | 110.9° |
| C19 | C20 | H31 | 109.5° | 109.5° |
| C19 | C20 | H32 | 109.5° | 109.4° |
| C19 | C20 | H33 | 109.5° | 109.5° |
| C19 | C13 | O02 | 104.6° | 103.6° |
| C19 | C13 | C11 | 113.3° | 110.6° |
| C19 | C13 | H19 | 106.4° | 110.6° |
| C13 | C19 | H30 | 108.9° | 110.9° |
| C35 | C32 | C33 | 107.8° | 107.1° |
| C35 | C32 | C31 | 129.7° | 126.4° |
| O02 | C13 | C11 | 114.0° | 110.6° |
| O02 | C13 | H19 | 110.9° | 110.6° |
| C13 | C11 | C12 | 108.8° | 109.5° |
| C13 | C11 | C10 | 112.5° | 109.5° |
| C13 | C11 | H15 | 110.2° | 109.4° |
| C11 | C13 | H19 | 107.3° | 110.5° |
| C32 | C33 | O06 | 134.1° | 127.5° |
| C33 | C32 | C31 | 122.5° | 126.4° |
| C32 | C31 | C29 | 129.8° | 121.0° |
| C32 | C31 | O05 | 115.1° | 120.9° |
| C29 | C31 | O05 | 111.0° | 118.1° |
| C31 | C29 | C30 | 107.0° | 109.7° |
| C31 | C29 | C28 | 112.0° | 108.3° |
| C31 | C29 | H47 | 108.3° | 109.7° |
| C31 | O05 | C21 | 119.9° | 115.8° |
| C12 | C11 | C10 | 104.4° | 109.5° |
| C12 | C11 | H15 | 110.5° | 109.4° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C11 | C12 | H17 | 109.4° | 109.4° |
| C11 | C12 | H18 | 109.4° | 109.4° |
| C11 | C10 | C09 | 121.6° | 120.0° |
| C11 | C10 | H14 | 119.2° | 119.9° |
| C10 | C11 | H15 | 110.3° | 109.5° |
| C30 | C29 | C28 | 113.1° | 109.7° |
| C30 | C29 | H47 | 108.2° | 109.7° |
| C29 | C30 | H48 | 109.5° | 109.5° |
| C29 | C30 | H49 | 109.5° | 109.5° |
| C29 | C30 | H50 | 109.5° | 109.5° |
| C29 | C28 | C26 | 116.4° | 109.5° |
| C29 | C28 | C22 | 110.5° | 108.9° |
| C29 | C28 | H46 | 105.9° | 110.0° |
| C28 | C29 | H47 | 108.1° | 109.7° |
| O05 | C21 | C22 | 112.0° | 109.1° |
| O05 | C21 | C02 | 105.2° | 109.6° |
| O05 | C21 | H34 | 113.1° | 109.6° |
| C10 | C09 | C08 | 119.9° | 120.0° |
| C10 | C09 | H13 | 120.1° | 120.0° |
| C09 | C10 | H14 | 119.2° | 120.0° |
| C27 | C26 | C28 | 111.5° | 109.5° |
| C27 | C26 | C25 | 108.7° | 109.5° |
| C27 | C26 | H42 | 109.2° | 109.5° |
| C26 | C27 | H43 | 109.5° | 109.4° |
| C26 | C27 | H44 | 109.5° | 109.4° |
| C26 | C27 | H45 | 109.5° | 109.5° |
| C26 | C28 | C22 | 111.3° | 109.3° |
| C28 | C26 | C25 | 108.8° | 109.5° |
| C28 | C26 | H42 | 109.3° | 109.5° |
| C26 | C28 | H46 | 106.1° | 109.6° |
| C28 | C22 | C21 | 107.4° | 109.3° |
| C28 | C22 | C23 | 109.1° | 109.3° |
| C28 | C22 | H35 | 109.5° | 109.7° |
| C22 | C28 | H46 | 105.9° | 109.6° |
| C09 | C08 | O04 | 111.3° | 109.5° |
| C09 | C08 | C07 | 113.7° | 109.5° |
| C09 | C08 | H12 | 107.5° | 109.5° |
| C08 | C09 | H13 | 120.1° | 120.0° |
| C22 | C21 | C02 | 104.8° | 109.5° |
| C21 | C22 | C23 | 111.8° | 109.5° |
| C22 | C21 | H34 | 110.8° | 109.5° |
| C21 | C22 | H35 | 109.5° | 109.5° |
| C21 | C02 | C01 | 115.4° | 120.0° |
| C21 | C02 | C03 | 121.9° | 120.0° |
| C02 | C21 | H34 | 110.6° | 109.5° |
| C26 | C25 | C24 | 110.4° | 109.5° |
| C26 | C25 | H40 | 109.3° | 109.5° |
| C26 | C25 | H41 | 109.3° | 109.4° |
| C25 | C26 | H42 | 109.3° | 109.5° |
| O01 | C01 | C02 | 109.3° | 109.5° |
| O01 | C01 | H1 | 109.5° | 109.5° |
| O01 | C01 | H2 | 109.6° | 109.5° |
| C01 | O01 | H55 | 109.5° | 114.0° |
| O04 | C08 | C07 | 107.4° | 109.5° |
| O04 | C08 | H12 | 109.4° | 109.5° |
| C08 | O04 | H56 | 109.5° | 114.0° |
| C22 | C23 | C24 | 113.0° | 109.4° |
| C23 | C22 | H35 | 109.5° | 109.5° |
| C22 | C23 | H36 | 108.6° | 109.5° |
| C22 | C23 | H37 | 108.6° | 109.5° |
| C08 | C07 | C06 | 105.0° | 109.5° |
| C08 | C07 | H10 | 110.6° | 109.5° |
| C08 | C07 | H11 | 110.6° | 109.4° |
| C07 | C08 | H12 | 107.3° | 109.4° |
| C07 | C06 | C04 | 109.0° | 109.5° |
| C07 | C06 | H8 | 109.6° | 109.5° |
| C07 | C06 | H9 | 109.6° | 109.5° |
| C06 | C07 | H10 | 110.6° | 109.5° |
| C06 | C07 | H11 | 110.6° | 109.5° |
| C01 | C02 | C03 | 122.7° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C03 | C04 | 122.7° | 120.0° |
| C02 | C03 | H3 | 118.6° | 120.0° |
| C25 | C24 | C23 | 108.1° | 109.5° |
| C25 | C24 | H38 | 109.8° | 109.5° |
| C25 | C24 | H39 | 109.8° | 109.5° |
| C24 | C25 | H40 | 109.2° | 109.5° |
| C24 | C25 | H41 | 109.2° | 109.4° |
| C03 | C04 | C06 | 104.2° | 109.5° |
| C03 | C04 | C05 | 107.2° | 109.5° |
| C04 | C03 | H3 | 118.7° | 120.0° |
| C03 | C04 | H4 | 111.0° | 109.5° |
| C24 | C23 | H36 | 108.6° | 109.4° |
| C24 | C23 | H37 | 108.6° | 109.5° |
| C23 | C24 | H38 | 109.8° | 109.4° |
| C23 | C24 | H39 | 109.8° | 109.5° |
| C06 | C04 | C05 | 111.5° | 109.4° |
| C06 | C04 | H4 | 111.1° | 109.5° |
| C04 | C06 | H8 | 109.6° | 109.4° |
| C04 | C06 | H9 | 109.6° | 109.5° |
| C05 | C04 | H4 | 111.6° | 109.5° |
| C04 | C05 | H5 | 109.5° | 109.5° |
| C04 | C05 | H6 | 109.5° | 109.5° |
| C04 | C05 | H7 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H5 | C05 | H6 | 109.5° | 109.5° |
| H5 | C05 | H7 | 109.5° | 109.5° |
| H6 | C05 | H7 | 109.5° | 109.4° |
| H8 | C06 | H9 | 109.5° | 109.5° |
| H10 | C07 | H11 | 109.5° | 109.4° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H16 | C12 | H18 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| H22 | C16 | H24 | 109.4° | 109.4° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H25 | C17 | H26 | 109.4° | 109.5° |
| H25 | C17 | H27 | 109.5° | 109.5° |
| H26 | C17 | H27 | 109.5° | 109.5° |
| H28 | C18 | H29 | 109.5° | 110.5° |
| H31 | C20 | H32 | 109.4° | 109.5° |
| H31 | C20 | H33 | 109.5° | 109.5° |
| H32 | C20 | H33 | 109.5° | 109.5° |
| H36 | C23 | H37 | 109.4° | 109.5° |
| H38 | C24 | H39 | 109.5° | 109.5° |
| H40 | C25 | H41 | 109.5° | 109.5° |
| H43 | C27 | H44 | 109.5° | 109.5° |
| H43 | C27 | H45 | 109.4° | 109.6° |
| H44 | C27 | H45 | 109.4° | 109.4° |
| H48 | C30 | H49 | 109.5° | 109.4° |
| H48 | C30 | H50 | 109.4° | 109.5° |
| H49 | C30 | H50 | 109.5° | 109.5° |
| H53 | C34 | H54 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C15 | O03 | C14 | 122.7° | 120.0° |
| C17 | C15 | O03 | H21 | 117.5° | 120.0° |
| C17 | C15 | O03 | C16 | 140.0° | 90.0° |
| C17 | C15 | C14 | H21 | 117.1° | 120.0° |
| C17 | C15 | C14 | C18 | 59.3° | 179.3° |
| C17 | C15 | C14 | O02 | 178.7° | 61.5° |
| C17 | C15 | C14 | H20 | 62.1° | 59.6° |
| C15 | C17 | H25 | H26 | 120.0° | 120.0° |
| C15 | C17 | H25 | H27 | 120.0° | 120.0° |
| C15 | C17 | H26 | H27 | 120.0° | 119.9° |
| O03 | C15 | C14 | H21 | 120.0° | 120.0° |
| O03 | C15 | C14 | C18 | 63.5° | 60.7° |
| O03 | C15 | C14 | O02 | 55.9° | 178.5° |
| O03 | C15 | C14 | H20 | 175.1° | 60.4° |
| C15 | O03 | C16 | H22 | 180.0° | 60.0° |
| C15 | O03 | C16 | H23 | 60.0° | 180.0° |
| C15 | O03 | C16 | H24 | 60.0° | 60.0° |
| O03 | C15 | C17 | H25 | 180.0° | 60.0° |
| O03 | C15 | C17 | H26 | 60.0° | 180.0° |
| O03 | C15 | C17 | H27 | 60.0° | 60.0° |
| C16 | O03 | C15 | C14 | 97.3° | 150.0° |
| C16 | O03 | C15 | H21 | 22.5° | 30.0° |
| O03 | C16 | H22 | H23 | 120.0° | 120.0° |
| O03 | C16 | H22 | H24 | 120.0° | 119.9° |
| O03 | C16 | H23 | H24 | 120.0° | 120.0° |
| C15 | C14 | C18 | O02 | 123.4° | 119.4° |
| C15 | C14 | C18 | H20 | 121.9° | 121.1° |
| C15 | C14 | C18 | C19 | 142.3° | 117.4° |
| C15 | C14 | O02 | H20 | 119.7° | 121.0° |
| C15 | C14 | O02 | C13 | 117.1° | 93.1° |
| C14 | C15 | C17 | H25 | 56.3° | 60.0° |
| C14 | C15 | C17 | H26 | 176.3° | 60.0° |
| C14 | C15 | C17 | H27 | 63.7° | 180.0° |
| C15 | C14 | C18 | H28 | 98.5° | 123.9° |
| C15 | C14 | C18 | H29 | 23.0° | 1.3° |
| C14 | C18 | C19 | H28 | 119.3° | 118.7° |
| C14 | C18 | C19 | H29 | 119.2° | 118.7° |
| C18 | C14 | O02 | H20 | 114.7° | 119.5° |
| C14 | C18 | C19 | C20 | 84.5° | 97.4° |
| C14 | C18 | C19 | C13 | 33.4° | 20.8° |
| C18 | C14 | O02 | C13 | 8.4° | 26.4° |
| C18 | C14 | C15 | H21 | 176.5° | 59.3° |
| C14 | C18 | H28 | H29 | 122.2° | 122.6° |
| C14 | C18 | C19 | H30 | 151.7° | 139.0° |
| C19 | C18 | C14 | O02 | 18.9° | 2.0° |
| C18 | C19 | C20 | C13 | 114.5° | 112.7° |
| C18 | C19 | C20 | H30 | 126.4° | 123.7° |
| C18 | C19 | C13 | H30 | 121.5° | 118.2° |
| C18 | C19 | C13 | O02 | 41.2° | 36.9° |
| C18 | C19 | C13 | C11 | 166.0° | 155.5° |
| C18 | C19 | C13 | H19 | 76.3° | 81.6° |
| C19 | C18 | C14 | H20 | 95.8° | 121.5° |
| C19 | C18 | H28 | H29 | 122.2° | 122.6° |
| C18 | C19 | C20 | H31 | 180.0° | 61.5° |
| C18 | C19 | C20 | H32 | 60.0° | 178.5° |
| C18 | C19 | C20 | H33 | 60.0° | 58.5° |
| O07 | C34 | C33 | H53 | 119.5° | 119.4° |
| O07 | C34 | C33 | H54 | 119.5° | 119.3° |
| C34 | O07 | C35 | O08 | 179.9° | 179.7° |
| C34 | O07 | C35 | C32 | 0.1° | 0.4° |
| O07 | C34 | C33 | C32 | 0.0° | 0.0° |
| O07 | C34 | C33 | O06 | 179.9° | 180.0° |
| O07 | C34 | H53 | H54 | 121.6° | 121.4° |
| C35 | O07 | C34 | C33 | 0.1° | 0.2° |
| O07 | C35 | O08 | C32 | 179.7° | 179.9° |
| O07 | C35 | C32 | C33 | 0.1° | 0.4° |
| O07 | C35 | C32 | C31 | 179.6° | 179.8° |
| C35 | O07 | C34 | H53 | 119.5° | 119.6° |
| C35 | O07 | C34 | H54 | 119.4° | 119.1° |
| C14 | O02 | C13 | C19 | 27.0° | 40.0° |
| C14 | O02 | C13 | C11 | 151.4° | 158.6° |
| C14 | O02 | C13 | H19 | 87.3° | 78.6° |
| O02 | C14 | C15 | H21 | 64.1° | 58.5° |
| O02 | C14 | C18 | H28 | 138.1° | 116.7° |
| O02 | C14 | C18 | H29 | 100.3° | 120.7° |
| C34 | C33 | C32 | C35 | 0.1° | 0.3° |
| C34 | C33 | C32 | O06 | 179.8° | 179.9° |
| C34 | C33 | C32 | C31 | 179.6° | 179.9° |
| C33 | C34 | H53 | H54 | 121.6° | 121.3° |
| O08 | C35 | C32 | C33 | 179.9° | 179.7° |
| O08 | C35 | C32 | C31 | 0.7° | 0.1° |
| C20 | C19 | C13 | H30 | 119.1° | 123.6° |
| C20 | C19 | C13 | O02 | 78.2° | 81.3° |
| C20 | C19 | C13 | C11 | 46.7° | 37.4° |
| C20 | C19 | C13 | H19 | 164.3° | 160.2° |
| C20 | C19 | C18 | H28 | 34.8° | 21.3° |
| C20 | C19 | C18 | H29 | 156.3° | 143.9° |
| C19 | C20 | H31 | H32 | 120.0° | 120.0° |
| C19 | C20 | H31 | H33 | 120.0° | 120.0° |
| C19 | C20 | H32 | H33 | 120.0° | 120.0° |
| C19 | C13 | O02 | C11 | 124.4° | 118.6° |
| C19 | C13 | O02 | H19 | 114.4° | 118.6° |
| C19 | C13 | C11 | H19 | 117.2° | 122.9° |
| C19 | C13 | C11 | C12 | 63.1° | 62.1° |
| C19 | C13 | C11 | C10 | 178.2° | 177.8° |
| C19 | C13 | C11 | H15 | 58.2° | 57.8° |
| C13 | C19 | C18 | H28 | 152.6° | 139.5° |
| C13 | C19 | C18 | H29 | 85.9° | 97.9° |
| C13 | C19 | C20 | H31 | 65.5° | 174.1° |
| C13 | C19 | C20 | H32 | 54.5° | 65.9° |
| C13 | C19 | C20 | H33 | 174.5° | 54.2° |
| C35 | C32 | C33 | C31 | 179.5° | 179.8° |
| C35 | C32 | C33 | O06 | 179.8° | 179.8° |
| C35 | C32 | C31 | C29 | 16.8° | 0.2° |
| C35 | C32 | C31 | O05 | 171.5° | 179.8° |
| O02 | C13 | C11 | H19 | 123.3° | 122.8° |
| O02 | C13 | C11 | C12 | 177.3° | 176.4° |
| O02 | C13 | C11 | C10 | 62.2° | 63.5° |
| O02 | C13 | C11 | H15 | 61.4° | 56.4° |
| C13 | O02 | C14 | H20 | 123.1° | 145.9° |
| O02 | C13 | C19 | H30 | 162.7° | 155.1° |
| C13 | C11 | C12 | C10 | 120.3° | 120.1° |
| C13 | C11 | C12 | H15 | 121.1° | 119.9° |
| C13 | C11 | C10 | H15 | 123.5° | 119.9° |
| C13 | C11 | C10 | C09 | 94.6° | 120.0° |
| C13 | C11 | C10 | H14 | 85.4° | 60.0° |
| C13 | C11 | C12 | H16 | 180.0° | 59.9° |
| C13 | C11 | C12 | H17 | 60.0° | 60.1° |
| C13 | C11 | C12 | H18 | 60.0° | 180.0° |
| C11 | C13 | C19 | H30 | 72.5° | 86.3° |
| C33 | C32 | C31 | C29 | 162.6° | 180.0° |
| C33 | C32 | C31 | O05 | 7.9° | 0.0° |
| C32 | C33 | C34 | H53 | 119.5° | 119.3° |
| C32 | C33 | C34 | H54 | 119.5° | 119.4° |
| O06 | C33 | C32 | C31 | 0.2° | 0.0° |
| O06 | C33 | C34 | H53 | 60.7° | 60.6° |
| O06 | C33 | C34 | H54 | 60.4° | 60.7° |
| C32 | C31 | C29 | O05 | 155.4° | 180.0° |
| C32 | C31 | C29 | C30 | 128.8° | 109.6° |
| C32 | C31 | C29 | C28 | 106.7° | 130.6° |
| C32 | C31 | O05 | C21 | 105.8° | 129.4° |
| C32 | C31 | C29 | H47 | 12.4° | 11.0° |
| C31 | C29 | C30 | C28 | 123.8° | 118.9° |
| C31 | C29 | C30 | H47 | 116.4° | 120.6° |
| C31 | C29 | C28 | H47 | 119.2° | 119.7° |
| C29 | C31 | O05 | C21 | 53.5° | 50.6° |
| C31 | C29 | C28 | C26 | 179.5° | 172.3° |
| C31 | C29 | C28 | C22 | 51.3° | 52.8° |
| C31 | C29 | C28 | H46 | 63.0° | 67.2° |
| C31 | C29 | C30 | H48 | 180.0° | 178.9° |
| C31 | C29 | C30 | H49 | 60.0° | 61.1° |
| C31 | C29 | C30 | H50 | 60.0° | 58.9° |
| O05 | C31 | C29 | C30 | 75.8° | 70.4° |
| O05 | C31 | C29 | C28 | 48.7° | 49.4° |
| C31 | O05 | C21 | C22 | 57.7° | 53.1° |
| C31 | O05 | C21 | C02 | 170.9° | 173.0° |
| C31 | O05 | C21 | H34 | 68.4° | 66.8° |
| O05 | C31 | C29 | H47 | 167.8° | 169.1° |
| C12 | C11 | C10 | H15 | 118.7° | 120.0° |
| C12 | C11 | C10 | C09 | 147.6° | 120.0° |
| C12 | C11 | C10 | H14 | 32.4° | 60.1° |
| C11 | C12 | H16 | H17 | 120.0° | 120.0° |
| C11 | C12 | H16 | H18 | 120.0° | 120.0° |
| C11 | C12 | H17 | H18 | 119.9° | 119.9° |
| C12 | C11 | C13 | H19 | 54.1° | 60.8° |
| C11 | C10 | C09 | H14 | 180.0° | 180.0° |
| C11 | C10 | C09 | C08 | 179.3° | 180.0° |
| C11 | C10 | C09 | H13 | 0.7° | 0.0° |
| C10 | C11 | C12 | H16 | 59.7° | 180.0° |
| C10 | C11 | C12 | H17 | 179.7° | 60.0° |
| C10 | C11 | C12 | H18 | 60.3° | 59.9° |
| C10 | C11 | C13 | H19 | 61.1° | 59.3° |
| C30 | C29 | C28 | H47 | 119.8° | 120.6° |
| C30 | C29 | C28 | C26 | 58.5° | 52.5° |
| C30 | C29 | C28 | C22 | 69.7° | 66.9° |
| C30 | C29 | C28 | H46 | 176.0° | 173.0° |
| C29 | C30 | H48 | H49 | 120.0° | 120.0° |
| C29 | C30 | H48 | H50 | 120.0° | 120.0° |
| C29 | C30 | H49 | H50 | 120.0° | 120.0° |
| C29 | C28 | C26 | C27 | 52.9° | 60.6° |
| C29 | C28 | C26 | C22 | 127.8° | 119.2° |
| C29 | C28 | C26 | H46 | 117.5° | 120.8° |
| C29 | C28 | C22 | H46 | 114.3° | 120.4° |
| C29 | C28 | C22 | C21 | 52.3° | 60.2° |
| C29 | C28 | C26 | C25 | 172.7° | 179.4° |
| C29 | C28 | C22 | C23 | 173.7° | 179.9° |
| C29 | C28 | C22 | H35 | 66.5° | 59.8° |
| C29 | C28 | C26 | H42 | 67.9° | 59.4° |
| C28 | C29 | C30 | H48 | 56.2° | 60.0° |
| C28 | C29 | C30 | H49 | 176.2° | 180.0° |
| C28 | C29 | C30 | H50 | 63.8° | 60.0° |
| O05 | C21 | C22 | C28 | 53.5° | 58.0° |
| O05 | C21 | C22 | C02 | 113.5° | 119.9° |
| O05 | C21 | C22 | H34 | 127.3° | 119.9° |
| O05 | C21 | C02 | H34 | 122.4° | 120.2° |
| O05 | C21 | C22 | C23 | 173.2° | 177.8° |
| O05 | C21 | C02 | C01 | 50.2° | 54.6° |
| O05 | C21 | C02 | C03 | 128.0° | 125.3° |
| O05 | C21 | C22 | H35 | 65.3° | 62.1° |
| C10 | C09 | C08 | H13 | 180.0° | 180.0° |
| C10 | C09 | C08 | O04 | 19.9° | 5.0° |
| C10 | C09 | C08 | C07 | 141.4° | 125.0° |
| C10 | C09 | C08 | H12 | 100.0° | 115.0° |
| C09 | C10 | C11 | H15 | 28.9° | 0.0° |
| C27 | C26 | C28 | C25 | 119.8° | 120.0° |
| C27 | C26 | C28 | H42 | 120.9° | 120.0° |
| C27 | C26 | C28 | C22 | 179.3° | 179.8° |
| C27 | C26 | C25 | H42 | 119.2° | 120.0° |
| C27 | C26 | C25 | C24 | 176.4° | 180.0° |
| C27 | C26 | C25 | H40 | 63.5° | 60.0° |
| C27 | C26 | C25 | H41 | 56.3° | 60.0° |
| C26 | C27 | H43 | H44 | 120.0° | 119.9° |
| C26 | C27 | H43 | H45 | 120.0° | 120.0° |
| C26 | C27 | H44 | H45 | 120.0° | 119.9° |
| C27 | C26 | C28 | H46 | 64.6° | 60.1° |
| C26 | C28 | C22 | H46 | 114.8° | 120.1° |
| C26 | C28 | C22 | C21 | 176.7° | 179.7° |
| C28 | C26 | C25 | H42 | 119.3° | 120.0° |
| C26 | C28 | C22 | C23 | 55.3° | 60.4° |
| C28 | C26 | C25 | C24 | 62.1° | 60.0° |
| C26 | C28 | C22 | H35 | 64.5° | 59.8° |
| C28 | C26 | C25 | H40 | 58.0° | 180.0° |
| C28 | C26 | C25 | H41 | 177.8° | 60.0° |
| C28 | C26 | C27 | H43 | 180.0° | 59.9° |
| C28 | C26 | C27 | H44 | 60.0° | 60.0° |
| C28 | C26 | C27 | H45 | 60.0° | 180.0° |
| C26 | C28 | C29 | H47 | 61.3° | 68.1° |
| C28 | C22 | C21 | C23 | 119.7° | 119.8° |
| C28 | C22 | C21 | H35 | 118.8° | 120.1° |
| C28 | C22 | C21 | C02 | 167.0° | 178.0° |
| C22 | C28 | C26 | C25 | 59.5° | 60.2° |
| C28 | C22 | C23 | H35 | 119.8° | 120.2° |
| C28 | C22 | C23 | C24 | 55.0° | 60.3° |
| C28 | C22 | C21 | H34 | 73.8° | 61.9° |
| C28 | C22 | C23 | H36 | 175.6° | 179.8° |
| C28 | C22 | C23 | H37 | 65.5° | 59.7° |
| C22 | C28 | C26 | H42 | 59.9° | 59.8° |
| C22 | C28 | C29 | H47 | 170.5° | 172.5° |
| C09 | C08 | O04 | C07 | 125.1° | 120.1° |
| C09 | C08 | O04 | H12 | 118.7° | 120.0° |
| C09 | C08 | C07 | H12 | 118.7° | 120.0° |
| C09 | C08 | C07 | C06 | 159.9° | 175.0° |
| C09 | C08 | C07 | H10 | 80.8° | 54.9° |
| C09 | C08 | C07 | H11 | 40.6° | 64.9° |
| C08 | C09 | C10 | H14 | 0.7° | 0.0° |
| C09 | C08 | O04 | H56 | 180.0° | 60.0° |
| C22 | C21 | C02 | H34 | 119.4° | 120.1° |
| C21 | C22 | C23 | H35 | 121.5° | 120.1° |
| C22 | C21 | C02 | C01 | 68.0° | 65.1° |
| C22 | C21 | C02 | C03 | 113.7° | 115.0° |
| C21 | C22 | C23 | C24 | 173.8° | 180.0° |
| C21 | C22 | C23 | H36 | 65.7° | 60.1° |
| C21 | C22 | C23 | H37 | 53.2° | 60.0° |
| C21 | C22 | C28 | H46 | 61.9° | 60.2° |
| C21 | C02 | C01 | O01 | 87.8° | 52.4° |
| C02 | C21 | C22 | C23 | 73.3° | 62.3° |
| C21 | C02 | C01 | C03 | 178.3° | 179.9° |
| C21 | C02 | C03 | C04 | 179.1° | 173.1° |
| C21 | C02 | C01 | H1 | 32.2° | 172.5° |
| C21 | C02 | C01 | H2 | 152.2° | 67.6° |
| C21 | C02 | C03 | H3 | 0.9° | 6.7° |
| C02 | C21 | C22 | H35 | 48.2° | 57.9° |
| C26 | C25 | C24 | H40 | 120.1° | 120.1° |
| C26 | C25 | C24 | H41 | 120.1° | 119.9° |
| C26 | C25 | C24 | C23 | 60.3° | 59.8° |
| C26 | C25 | C24 | H38 | 179.9° | 60.2° |
| C26 | C25 | C24 | H39 | 59.5° | 179.8° |
| C26 | C25 | H40 | H41 | 119.6° | 120.0° |
| C25 | C26 | C27 | H43 | 60.1° | 60.1° |
| C25 | C26 | C27 | H44 | 59.9° | 179.9° |
| C25 | C26 | C27 | H45 | 179.9° | 60.0° |
| C25 | C26 | C28 | H46 | 55.2° | 59.8° |
| O01 | C01 | C02 | H1 | 119.9° | 120.0° |
| O01 | C01 | C02 | H2 | 120.0° | 120.0° |
| O01 | C01 | C02 | C03 | 90.5° | 127.5° |
| O01 | C01 | H1 | H2 | 120.1° | 120.0° |
| O04 | C08 | C07 | H12 | 117.6° | 120.0° |
| O04 | C08 | C07 | C06 | 76.4° | 65.0° |
| O04 | C08 | C07 | H10 | 42.9° | 175.0° |
| O04 | C08 | C07 | H11 | 164.3° | 55.1° |
| O04 | C08 | C09 | H13 | 160.1° | 175.0° |
| C22 | C23 | C24 | C25 | 57.4° | 60.0° |
| C22 | C23 | C24 | H36 | 120.5° | 120.0° |
| C22 | C23 | C24 | H37 | 120.5° | 120.0° |
| C23 | C22 | C21 | H34 | 46.0° | 57.9° |
| C22 | C23 | H36 | H37 | 118.4° | 120.1° |
| C22 | C23 | C24 | H38 | 177.2° | 60.0° |
| C22 | C23 | C24 | H39 | 62.4° | 180.0° |
| C23 | C22 | C28 | H46 | 59.5° | 59.7° |
| C08 | C07 | C06 | H10 | 119.3° | 120.0° |
| C08 | C07 | C06 | H11 | 119.3° | 120.0° |
| C08 | C07 | C06 | C04 | 166.7° | 180.0° |
| C08 | C07 | C06 | H8 | 46.8° | 60.0° |
| C08 | C07 | C06 | H9 | 73.4° | 60.0° |
| C08 | C07 | H10 | H11 | 122.1° | 119.9° |
| C07 | C08 | C09 | H13 | 38.6° | 55.0° |
| C07 | C08 | O04 | H56 | 54.9° | 60.1° |
| C07 | C06 | C04 | C03 | 67.7° | 175.0° |
| C07 | C06 | C04 | H8 | 119.9° | 120.0° |
| C07 | C06 | C04 | H9 | 119.9° | 120.0° |
| C07 | C06 | C04 | C05 | 177.0° | 65.0° |
| C07 | C06 | C04 | H4 | 51.9° | 55.0° |
| C07 | C06 | H8 | H9 | 120.2° | 120.0° |
| C06 | C07 | H10 | H11 | 122.1° | 120.0° |
| C06 | C07 | C08 | H12 | 41.2° | 55.0° |
| C01 | C02 | C03 | C04 | 2.8° | 7.0° |
| C02 | C01 | H1 | H2 | 120.1° | 120.0° |
| C01 | C02 | C03 | H3 | 177.3° | 173.2° |
| C01 | C02 | C21 | H34 | 172.6° | 174.8° |
| C02 | C01 | O01 | H55 | 180.0° | 180.0° |
| C02 | C03 | C04 | H3 | 180.0° | 179.9° |
| C02 | C03 | C04 | C06 | 130.9° | 116.5° |
| C02 | C03 | C04 | C05 | 110.8° | 123.5° |
| C03 | C02 | C01 | H1 | 149.6° | 7.4° |
| C03 | C02 | C01 | H2 | 29.5° | 112.5° |
| C02 | C03 | C04 | H4 | 11.3° | 3.5° |
| C03 | C02 | C21 | H34 | 5.6° | 5.1° |
| C25 | C24 | C23 | H38 | 119.8° | 120.0° |
| C25 | C24 | C23 | H39 | 119.8° | 120.0° |
| C25 | C24 | C23 | H36 | 178.0° | 180.0° |
| C25 | C24 | C23 | H37 | 63.1° | 60.0° |
| C25 | C24 | H38 | H39 | 120.6° | 120.0° |
| C24 | C25 | H40 | H41 | 119.6° | 120.0° |
| C24 | C25 | C26 | H42 | 57.2° | 60.0° |
| C03 | C04 | C06 | C05 | 115.3° | 120.0° |
| C03 | C04 | C06 | H4 | 119.6° | 120.0° |
| C03 | C04 | C05 | H4 | 121.7° | 120.0° |
| C03 | C04 | C05 | H5 | 180.0° | 60.0° |
| C03 | C04 | C05 | H6 | 60.0° | 60.1° |
| C03 | C04 | C05 | H7 | 60.0° | 180.0° |
| C03 | C04 | C06 | H8 | 172.4° | 55.0° |
| C03 | C04 | C06 | H9 | 52.2° | 65.0° |
| C24 | C23 | C22 | H35 | 64.8° | 59.9° |
| C24 | C23 | H36 | H37 | 118.4° | 120.0° |
| C23 | C24 | H38 | H39 | 120.6° | 120.0° |
| C23 | C24 | C25 | H40 | 59.8° | 179.9° |
| C23 | C24 | C25 | H41 | 179.5° | 60.1° |
| C06 | C04 | C05 | H4 | 124.8° | 120.0° |
| C06 | C04 | C03 | H3 | 49.1° | 63.6° |
| C06 | C04 | C05 | H5 | 66.6° | 60.0° |
| C06 | C04 | C05 | H6 | 53.4° | 180.0° |
| C06 | C04 | C05 | H7 | 173.4° | 60.0° |
| C04 | C06 | H8 | H9 | 120.3° | 120.0° |
| C04 | C06 | C07 | H10 | 74.1° | 60.0° |
| C04 | C06 | C07 | H11 | 47.4° | 59.9° |
| C05 | C04 | C03 | H3 | 69.2° | 56.3° |
| C04 | C05 | H5 | H6 | 120.0° | 120.0° |
| C04 | C05 | H5 | H7 | 120.0° | 120.0° |
| C04 | C05 | H6 | H7 | 120.0° | 120.0° |
| C05 | C04 | C06 | H8 | 57.1° | 175.0° |
| C05 | C04 | C06 | H9 | 63.1° | 55.0° |
| H1 | C01 | O01 | H55 | 60.1° | 60.0° |
| H2 | C01 | O01 | H55 | 60.0° | 60.0° |
| H3 | C03 | C04 | H4 | 168.7° | 176.3° |
| H4 | C04 | C05 | H5 | 58.3° | 179.9° |
| H4 | C04 | C05 | H6 | 178.3° | 60.0° |
| H4 | C04 | C05 | H7 | 61.7° | 60.0° |
| H4 | C04 | C06 | H8 | 68.0° | 65.0° |
| H4 | C04 | C06 | H9 | 171.8° | 175.0° |
| H5 | C05 | H6 | H7 | 120.0° | 120.0° |
| H8 | C06 | C07 | H10 | 166.0° | 179.9° |
| H8 | C06 | C07 | H11 | 72.5° | 60.0° |
| H9 | C06 | C07 | H10 | 45.9° | 60.0° |
| H9 | C06 | C07 | H11 | 167.3° | 180.0° |
| H10 | C07 | C08 | H12 | 160.5° | 65.1° |
| H11 | C07 | C08 | H12 | 78.1° | 175.0° |
| H12 | C08 | C09 | H13 | 80.1° | 65.0° |
| H12 | C08 | O04 | H56 | 61.3° | 180.0° |
| H13 | C09 | C10 | H14 | 179.3° | 180.0° |
| H14 | C10 | C11 | H15 | 151.1° | 179.9° |
| H15 | C11 | C12 | H16 | 58.9° | 60.0° |
| H15 | C11 | C12 | H17 | 61.1° | 180.0° |
| H15 | C11 | C12 | H18 | 178.9° | 60.1° |
| H15 | C11 | C13 | H19 | 175.3° | 179.3° |
| H16 | C12 | H17 | H18 | 120.0° | 120.1° |
| H19 | C13 | C19 | H30 | 45.2° | 36.5° |
| H20 | C14 | C15 | H21 | 55.1° | 179.6° |
| H20 | C14 | C18 | H28 | 23.4° | 2.9° |
| H20 | C14 | C18 | H29 | 144.9° | 119.8° |
| H21 | C15 | C17 | H25 | 61.6° | 180.0° |
| H21 | C15 | C17 | H26 | 58.4° | 60.0° |
| H21 | C15 | C17 | H27 | 178.4° | 60.0° |
| H22 | C16 | H23 | H24 | 120.0° | 120.0° |
| H25 | C17 | H26 | H27 | 120.0° | 120.1° |
| H28 | C18 | C19 | H30 | 89.1° | 102.3° |
| H29 | C18 | C19 | H30 | 32.4° | 20.3° |
| H30 | C19 | C20 | H31 | 53.6° | 62.2° |
| H30 | C19 | C20 | H32 | 173.5° | 57.8° |
| H30 | C19 | C20 | H33 | 66.5° | 177.8° |
| H31 | C20 | H32 | H33 | 120.0° | 120.0° |
| H34 | C21 | C22 | H35 | 167.5° | 178.0° |
| H35 | C22 | C23 | H36 | 55.8° | 60.0° |
| H35 | C22 | C23 | H37 | 174.7° | 180.0° |
| H35 | C22 | C28 | H46 | 179.3° | 179.8° |
| H36 | C23 | C24 | H38 | 62.2° | 60.0° |
| H36 | C23 | C24 | H39 | 58.2° | 60.0° |
| H37 | C23 | C24 | H38 | 56.7° | 180.0° |
| H37 | C23 | C24 | H39 | 177.1° | 60.0° |
| H38 | C24 | C25 | H40 | 60.0° | 59.9° |
| H38 | C24 | C25 | H41 | 59.7° | 179.9° |
| H39 | C24 | C25 | H40 | 179.6° | 60.1° |
| H39 | C24 | C25 | H41 | 60.7° | 59.9° |
| H40 | C25 | C26 | H42 | 177.4° | 60.0° |
| H41 | C25 | C26 | H42 | 62.9° | 180.0° |
| H42 | C26 | C27 | H43 | 59.1° | 179.9° |
| H42 | C26 | C27 | H44 | 179.1° | 59.9° |
| H42 | C26 | C27 | H45 | 60.9° | 60.0° |
| H42 | C26 | C28 | H46 | 174.6° | 179.9° |
| H43 | C27 | H44 | H45 | 120.0° | 120.1° |
| H46 | C28 | C29 | H47 | 56.3° | 52.4° |
| H47 | C29 | C30 | H48 | 63.6° | 60.6° |
| H47 | C29 | C30 | H49 | 56.4° | 59.4° |
| H47 | C29 | C30 | H50 | 176.5° | 179.4° |
| H48 | C30 | H49 | H50 | 120.0° | 120.0° |
