IWJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C30 | doub | 1.31Å | 1.34Å | |
| O27 | C26 | doub | 1.22Å | 1.23Å | |
| C32 | C30 | sing | 1.51Å | 1.54Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.51Å | 1.45Å | |
| C25 | C24 | sing | 1.51Å | 1.50Å | |
| O38 | C33 | sing | 1.43Å | 1.42Å | |
| C26 | C24 | sing | 1.39Å | 1.46Å | |
| C26 | C28 | sing | 1.51Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | doub | 1.38Å | 1.35Å | |
| C29 | O39 | sing | 1.43Å | 1.40Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C29 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | sing | 1.40Å | 1.44Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C35 | C37 | sing | 1.53Å | 1.55Å | |
| C22 | C21 | doub | 1.38Å | 1.35Å | |
| C20 | C19 | sing | 1.51Å | 1.50Å | |
| C21 | C19 | sing | 1.40Å | 1.47Å | |
| C19 | C18 | doub | 1.38Å | 1.35Å | |
| C18 | C17 | sing | 1.40Å | 1.44Å | |
| C17 | C16 | doub | 1.38Å | 1.34Å | |
| C16 | C15 | sing | 1.40Å | 1.44Å | |
| C15 | C14 | doub | 1.38Å | 1.35Å | |
| C14 | C13 | sing | 1.40Å | 1.47Å | |
| C14 | C40 | sing | 1.51Å | 1.50Å | |
| C13 | C12 | doub | 1.37Å | 1.35Å | |
| C12 | C11 | sing | 1.41Å | 1.44Å | |
| C11 | C10 | doub | 1.36Å | 1.35Å | |
| C10 | C09 | sing | 1.42Å | 1.52Å | |
| C10 | C41 | sing | 1.51Å | 1.50Å | |
| C09 | C08 | doub | 1.34Å | 1.36Å | |
| C08 | C07 | sing | 1.51Å | 1.52Å | |
| C42 | C06 | sing | 1.53Å | 1.54Å | |
| C07 | C02 | sing | 1.50Å | 1.53Å | |
| C07 | C06 | sing | 1.53Å | 1.56Å | |
| C02 | C01 | sing | 1.51Å | 1.48Å | |
| C02 | C03 | doub | 1.29Å | 1.36Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C06 | C43 | sing | 1.53Å | 1.54Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| C03 | C04 | sing | 1.50Å | 1.54Å | |
| C04 | O44 | sing | 1.43Å | 1.42Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.08Å | 1.08Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C31 | H32 | sing | 1.08Å | 1.08Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C36 | H38 | sing | 1.09Å | 1.10Å | |
| C36 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C37 | H41 | sing | 1.09Å | 1.10Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C40 | H44 | sing | 1.09Å | 1.10Å | |
| C40 | H45 | sing | 1.09Å | 1.10Å | |
| C40 | H46 | sing | 1.09Å | 1.10Å | |
| C41 | H47 | sing | 1.09Å | 1.10Å | |
| C41 | H48 | sing | 1.09Å | 1.10Å | |
| C41 | H49 | sing | 1.09Å | 1.10Å | |
| C42 | H50 | sing | 1.09Å | 1.10Å | |
| C42 | H51 | sing | 1.09Å | 1.10Å | |
| C42 | H52 | sing | 1.09Å | 1.10Å | |
| C43 | H53 | sing | 1.09Å | 1.10Å | |
| C43 | H54 | sing | 1.09Å | 1.10Å | |
| C43 | H55 | sing | 1.09Å | 1.10Å | |
| O38 | H56 | sing | 0.97Å | 0.95Å | |
| O39 | H57 | sing | 0.97Å | 0.95Å | |
| O44 | H58 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C30 | C32 | 124.9° | 120.8° |
| C31 | C30 | C29 | 125.3° | 120.9° |
| C30 | C31 | H31 | 120.0° | 120.0° |
| C30 | C31 | H32 | 120.0° | 120.0° |
| O27 | C26 | C24 | 118.9° | 120.0° |
| O27 | C26 | C28 | 119.9° | 120.0° |
| C30 | C32 | C33 | 115.2° | 108.5° |
| C32 | C30 | C29 | 108.2° | 118.3° |
| C30 | C32 | H33 | 108.0° | 109.6° |
| C30 | C32 | H34 | 108.0° | 109.6° |
| C32 | C33 | O38 | 110.1° | 109.5° |
| C32 | C33 | C34 | 112.8° | 109.4° |
| C33 | C32 | H33 | 108.0° | 109.7° |
| C33 | C32 | H34 | 108.0° | 109.6° |
| C32 | C33 | H35 | 107.3° | 109.5° |
| C30 | C29 | O39 | 108.5° | 109.6° |
| C30 | C29 | C28 | 110.6° | 109.6° |
| C30 | C29 | C35 | 110.2° | 108.7° |
| C25 | C24 | C26 | 117.8° | 120.1° |
| C25 | C24 | C23 | 124.3° | 120.0° |
| C24 | C25 | H26 | 109.5° | 109.5° |
| C24 | C25 | H27 | 109.5° | 109.5° |
| C24 | C25 | H28 | 109.4° | 109.5° |
| O38 | C33 | C34 | 110.4° | 109.5° |
| O38 | C33 | H35 | 108.8° | 109.5° |
| C33 | O38 | H56 | 109.5° | 114.0° |
| C24 | C26 | C28 | 121.1° | 120.0° |
| C26 | C24 | C23 | 117.8° | 120.0° |
| C26 | C28 | C29 | 112.7° | 109.4° |
| C26 | C28 | H29 | 108.7° | 109.5° |
| C26 | C28 | H30 | 108.7° | 109.5° |
| C33 | C34 | C35 | 114.3° | 109.9° |
| C34 | C33 | H35 | 107.3° | 109.4° |
| C33 | C34 | H36 | 108.3° | 109.4° |
| C33 | C34 | H37 | 108.3° | 109.4° |
| C24 | C23 | C22 | 126.0° | 120.0° |
| C24 | C23 | H25 | 117.0° | 120.0° |
| O39 | C29 | C28 | 108.3° | 109.6° |
| O39 | C29 | C35 | 109.0° | 109.7° |
| C29 | O39 | H57 | 109.5° | 114.0° |
| C28 | C29 | C35 | 110.1° | 109.6° |
| C29 | C28 | H29 | 108.7° | 109.5° |
| C29 | C28 | H30 | 108.7° | 109.4° |
| C29 | C35 | C34 | 115.7° | 109.2° |
| C29 | C35 | C36 | 111.2° | 109.5° |
| C29 | C35 | C37 | 110.1° | 109.5° |
| C34 | C35 | C36 | 103.9° | 109.4° |
| C34 | C35 | C37 | 107.6° | 109.7° |
| C35 | C34 | H36 | 108.2° | 109.4° |
| C35 | C34 | H37 | 108.3° | 109.3° |
| C23 | C22 | C21 | 122.7° | 120.0° |
| C23 | C22 | H24 | 118.7° | 120.0° |
| C22 | C23 | H25 | 117.0° | 120.0° |
| C36 | C35 | C37 | 107.9° | 109.5° |
| C35 | C36 | H38 | 109.5° | 109.5° |
| C35 | C36 | H39 | 109.5° | 109.5° |
| C35 | C36 | H40 | 109.5° | 109.5° |
| C35 | C37 | H41 | 109.5° | 109.5° |
| C35 | C37 | H42 | 109.5° | 109.4° |
| C35 | C37 | H43 | 109.5° | 109.4° |
| C22 | C21 | C19 | 124.4° | 120.0° |
| C22 | C21 | H23 | 117.8° | 120.0° |
| C21 | C22 | H24 | 118.6° | 120.0° |
| C20 | C19 | C21 | 117.2° | 120.0° |
| C20 | C19 | C18 | 124.1° | 120.0° |
| C19 | C20 | H20 | 109.5° | 109.5° |
| C19 | C20 | H21 | 109.5° | 109.5° |
| C19 | C20 | H22 | 109.5° | 109.5° |
| C21 | C19 | C18 | 118.6° | 120.0° |
| C19 | C21 | H23 | 117.8° | 120.0° |
| C19 | C18 | C17 | 126.2° | 119.9° |
| C19 | C18 | H19 | 116.9° | 120.0° |
| C18 | C17 | C16 | 121.9° | 120.0° |
| C18 | C17 | H18 | 119.0° | 120.0° |
| C17 | C18 | H19 | 116.9° | 120.0° |
| C17 | C16 | C15 | 121.3° | 120.0° |
| C17 | C16 | H17 | 119.4° | 120.0° |
| C16 | C17 | H18 | 119.1° | 120.0° |
| C16 | C15 | C14 | 127.9° | 120.0° |
| C16 | C15 | H16 | 116.1° | 120.0° |
| C15 | C16 | H17 | 119.3° | 120.0° |
| C15 | C14 | C13 | 117.6° | 120.0° |
| C15 | C14 | C40 | 124.9° | 120.0° |
| C14 | C15 | H16 | 116.0° | 120.0° |
| C13 | C14 | C40 | 117.6° | 120.0° |
| C14 | C13 | C12 | 126.6° | 120.0° |
| C14 | C13 | H15 | 116.7° | 120.1° |
| C14 | C40 | H44 | 109.5° | 109.4° |
| C14 | C40 | H45 | 109.5° | 109.5° |
| C14 | C40 | H46 | 109.5° | 109.4° |
| C13 | C12 | C11 | 120.5° | 120.0° |
| C13 | C12 | H14 | 119.8° | 120.0° |
| C12 | C13 | H15 | 116.7° | 120.0° |
| C12 | C11 | C10 | 126.1° | 120.0° |
| C12 | C11 | H13 | 116.9° | 120.0° |
| C11 | C12 | H14 | 119.8° | 120.0° |
| C11 | C10 | C09 | 118.0° | 120.0° |
| C11 | C10 | C41 | 124.4° | 120.0° |
| C10 | C11 | H13 | 117.0° | 120.0° |
| C09 | C10 | C41 | 117.6° | 120.0° |
| C10 | C09 | C08 | 126.5° | 120.0° |
| C10 | C09 | H12 | 116.8° | 120.0° |
| C10 | C41 | H47 | 109.5° | 109.5° |
| C10 | C41 | H48 | 109.5° | 109.5° |
| C10 | C41 | H49 | 109.5° | 109.5° |
| C09 | C08 | C07 | 123.9° | 120.0° |
| C09 | C08 | H11 | 118.1° | 120.0° |
| C08 | C09 | H12 | 116.8° | 120.0° |
| C08 | C07 | C02 | 111.5° | 109.4° |
| C08 | C07 | C06 | 113.2° | 109.4° |
| C08 | C07 | H10 | 106.4° | 109.3° |
| C07 | C08 | H11 | 118.1° | 120.0° |
| C42 | C06 | C07 | 110.1° | 109.9° |
| C42 | C06 | C05 | 108.8° | 109.6° |
| C42 | C06 | C43 | 107.9° | 109.6° |
| C06 | C42 | H50 | 109.5° | 109.5° |
| C06 | C42 | H51 | 109.4° | 109.4° |
| C06 | C42 | H52 | 109.5° | 109.5° |
| C02 | C07 | C06 | 113.0° | 110.2° |
| C07 | C02 | C01 | 118.9° | 117.9° |
| C07 | C02 | C03 | 123.6° | 124.1° |
| C02 | C07 | H10 | 106.2° | 109.4° |
| C07 | C06 | C05 | 112.5° | 108.6° |
| C07 | C06 | C43 | 109.6° | 109.5° |
| C06 | C07 | H10 | 106.0° | 109.2° |
| C01 | C02 | C03 | 114.5° | 118.0° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C03 | C04 | 121.1° | 124.1° |
| C02 | C03 | H5 | 119.4° | 118.0° |
| C05 | C06 | C43 | 107.8° | 109.7° |
| C06 | C05 | C04 | 114.5° | 108.4° |
| C06 | C05 | H8 | 108.2° | 109.7° |
| C06 | C05 | H9 | 108.2° | 109.8° |
| C06 | C43 | H53 | 109.5° | 109.5° |
| C06 | C43 | H54 | 109.4° | 109.4° |
| C06 | C43 | H55 | 109.5° | 109.5° |
| C05 | C04 | C03 | 113.8° | 110.1° |
| C05 | C04 | O44 | 110.4° | 109.4° |
| C05 | C04 | H7 | 106.5° | 109.3° |
| C04 | C05 | H8 | 108.2° | 109.7° |
| C04 | C05 | H9 | 108.2° | 109.6° |
| C03 | C04 | O44 | 111.2° | 109.4° |
| C04 | C03 | H5 | 119.5° | 117.9° |
| C03 | C04 | H7 | 106.6° | 109.3° |
| O44 | C04 | H7 | 108.0° | 109.4° |
| C04 | O44 | H58 | 109.5° | 114.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H8 | C05 | H9 | 109.4° | 109.6° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H20 | C20 | H22 | 109.5° | 109.5° |
| H21 | C20 | H22 | 109.5° | 109.4° |
| H26 | C25 | H27 | 109.5° | 109.4° |
| H26 | C25 | H28 | 109.5° | 109.5° |
| H27 | C25 | H28 | 109.5° | 109.5° |
| H29 | C28 | H30 | 109.4° | 109.5° |
| H31 | C31 | H32 | 120.0° | 120.0° |
| H33 | C32 | H34 | 109.5° | 109.8° |
| H36 | C34 | H37 | 109.5° | 109.4° |
| H38 | C36 | H39 | 109.5° | 109.5° |
| H38 | C36 | H40 | 109.4° | 109.4° |
| H39 | C36 | H40 | 109.4° | 109.5° |
| H41 | C37 | H42 | 109.5° | 109.5° |
| H41 | C37 | H43 | 109.4° | 109.5° |
| H42 | C37 | H43 | 109.5° | 109.5° |
| H44 | C40 | H45 | 109.5° | 109.5° |
| H44 | C40 | H46 | 109.5° | 109.5° |
| H45 | C40 | H46 | 109.4° | 109.4° |
| H47 | C41 | H48 | 109.5° | 109.5° |
| H47 | C41 | H49 | 109.5° | 109.4° |
| H48 | C41 | H49 | 109.4° | 109.5° |
| H50 | C42 | H51 | 109.5° | 109.5° |
| H50 | C42 | H52 | 109.5° | 109.5° |
| H51 | C42 | H52 | 109.5° | 109.4° |
| H53 | C43 | H54 | 109.5° | 109.4° |
| H53 | C43 | H55 | 109.5° | 109.5° |
| H54 | C43 | H55 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C30 | C32 | C29 | 166.1° | 180.0° |
| C31 | C30 | C32 | C33 | 115.8° | 128.6° |
| C31 | C30 | C29 | O39 | 141.6° | 111.6° |
| C31 | C30 | C29 | C28 | 22.9° | 8.8° |
| C31 | C30 | C29 | C35 | 99.1° | 128.5° |
| C30 | C31 | H31 | H32 | 180.0° | 179.9° |
| C31 | C30 | C32 | H33 | 123.4° | 111.6° |
| C31 | C30 | C32 | H34 | 5.1° | 8.9° |
| O27 | C26 | C24 | C25 | 40.2° | 180.0° |
| O27 | C26 | C24 | C28 | 179.8° | 180.0° |
| O27 | C26 | C24 | C23 | 139.5° | 0.0° |
| O27 | C26 | C28 | C29 | 30.3° | 0.0° |
| O27 | C26 | C28 | H29 | 90.2° | 120.0° |
| O27 | C26 | C28 | H30 | 150.8° | 120.0° |
| C30 | C32 | C33 | H33 | 120.8° | 119.7° |
| C30 | C32 | C33 | H34 | 120.9° | 119.7° |
| C30 | C32 | C33 | O38 | 128.4° | 65.4° |
| C30 | C32 | C33 | C34 | 4.6° | 54.7° |
| C32 | C30 | C29 | O39 | 52.3° | 68.4° |
| C32 | C30 | C29 | C28 | 171.0° | 171.2° |
| C32 | C30 | C29 | C35 | 67.0° | 51.5° |
| C32 | C30 | C31 | H31 | 163.8° | 173.5° |
| C32 | C30 | C31 | H32 | 16.2° | 6.4° |
| C30 | C32 | H33 | H34 | 117.4° | 120.5° |
| C30 | C32 | C33 | H35 | 113.4° | 174.6° |
| C33 | C32 | C30 | C29 | 50.4° | 51.4° |
| C32 | C33 | O38 | C34 | 125.2° | 120.0° |
| C32 | C33 | O38 | H35 | 117.3° | 120.1° |
| C32 | C33 | C34 | H35 | 118.0° | 119.9° |
| C32 | C33 | C34 | C35 | 42.0° | 63.6° |
| C33 | C32 | H33 | H34 | 117.4° | 120.5° |
| C32 | C33 | C34 | H36 | 162.7° | 56.4° |
| C32 | C33 | C34 | H37 | 78.7° | 176.3° |
| C32 | C33 | O38 | H56 | 180.0° | 60.0° |
| C30 | C29 | C28 | C26 | 75.5° | 65.4° |
| C30 | C29 | O39 | C28 | 120.1° | 120.4° |
| C30 | C29 | O39 | C35 | 120.1° | 119.3° |
| C30 | C29 | C28 | C35 | 122.1° | 119.2° |
| C30 | C29 | C35 | C34 | 29.3° | 54.6° |
| C30 | C29 | C35 | C36 | 89.0° | 65.2° |
| C30 | C29 | C35 | C37 | 151.5° | 174.7° |
| C30 | C29 | C28 | H29 | 44.9° | 54.7° |
| C30 | C29 | C28 | H30 | 164.0° | 174.7° |
| C29 | C30 | C31 | H31 | 0.0° | 6.5° |
| C29 | C30 | C31 | H32 | 180.0° | 173.6° |
| C29 | C30 | C32 | H33 | 70.5° | 68.4° |
| C29 | C30 | C32 | H34 | 171.2° | 171.1° |
| C30 | C29 | O39 | H57 | 73.1° | 60.4° |
| C25 | C24 | C26 | C23 | 179.7° | 180.0° |
| C25 | C24 | C26 | C28 | 139.5° | 0.0° |
| C25 | C24 | C23 | C22 | 0.4° | 0.0° |
| C25 | C24 | C23 | H25 | 179.5° | 180.0° |
| C24 | C25 | H26 | H27 | 120.0° | 120.0° |
| C24 | C25 | H26 | H28 | 120.0° | 120.1° |
| C24 | C25 | H27 | H28 | 120.0° | 120.0° |
| O38 | C33 | C34 | H35 | 118.4° | 120.0° |
| O38 | C33 | C34 | C35 | 165.6° | 56.4° |
| O38 | C33 | C32 | H33 | 110.7° | 174.9° |
| O38 | C33 | C32 | H34 | 7.6° | 54.3° |
| O38 | C33 | C34 | H36 | 73.7° | 176.5° |
| O38 | C33 | C34 | H37 | 44.9° | 63.6° |
| C24 | C26 | C28 | C29 | 149.9° | 180.0° |
| C26 | C24 | C23 | C22 | 179.9° | 180.0° |
| C26 | C24 | C23 | H25 | 0.1° | 0.0° |
| C26 | C24 | C25 | H26 | 180.0° | 90.0° |
| C26 | C24 | C25 | H27 | 60.0° | 30.0° |
| C26 | C24 | C25 | H28 | 60.0° | 150.0° |
| C24 | C26 | C28 | H29 | 89.6° | 60.0° |
| C24 | C26 | C28 | H30 | 29.4° | 60.1° |
| C28 | C26 | C24 | C23 | 40.8° | 180.0° |
| C26 | C28 | C29 | O39 | 43.3° | 55.0° |
| C26 | C28 | C29 | H29 | 120.5° | 120.0° |
| C26 | C28 | C29 | H30 | 120.5° | 119.9° |
| C26 | C28 | C29 | C35 | 162.4° | 175.4° |
| C26 | C28 | H29 | H30 | 118.5° | 120.0° |
| C33 | C34 | C35 | C29 | 26.1° | 63.5° |
| C33 | C34 | C35 | H36 | 120.7° | 120.1° |
| C33 | C34 | C35 | H37 | 120.7° | 120.1° |
| C33 | C34 | C35 | C36 | 148.3° | 56.3° |
| C33 | C34 | C35 | C37 | 97.5° | 176.5° |
| C34 | C33 | C32 | H33 | 125.5° | 65.0° |
| C34 | C33 | C32 | H34 | 116.2° | 174.4° |
| C33 | C34 | H36 | H37 | 117.8° | 119.9° |
| C34 | C33 | O38 | H56 | 54.9° | 179.9° |
| C24 | C23 | C22 | H25 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 161.0° | 180.0° |
| C24 | C23 | C22 | H24 | 19.0° | 0.0° |
| C23 | C24 | C25 | H26 | 0.3° | 90.0° |
| C23 | C24 | C25 | H27 | 120.4° | 150.0° |
| C23 | C24 | C25 | H28 | 119.7° | 30.0° |
| O39 | C29 | C28 | C35 | 119.1° | 120.4° |
| O39 | C29 | C35 | C34 | 89.7° | 65.2° |
| O39 | C29 | C35 | C36 | 152.0° | 174.9° |
| O39 | C29 | C35 | C37 | 32.5° | 54.9° |
| O39 | C29 | C28 | H29 | 163.8° | 175.0° |
| O39 | C29 | C28 | H30 | 77.2° | 64.9° |
| C28 | C29 | C35 | C34 | 151.6° | 174.4° |
| C28 | C29 | C35 | C36 | 33.3° | 54.5° |
| C28 | C29 | C35 | C37 | 86.2° | 65.5° |
| C29 | C28 | H29 | H30 | 118.5° | 120.0° |
| C28 | C29 | O39 | H57 | 47.0° | 60.0° |
| C29 | C35 | C34 | C36 | 122.2° | 119.9° |
| C29 | C35 | C34 | C37 | 123.5° | 120.0° |
| C29 | C35 | C36 | C37 | 120.8° | 120.1° |
| C35 | C29 | C28 | H29 | 77.1° | 64.6° |
| C35 | C29 | C28 | H30 | 41.9° | 55.5° |
| C29 | C35 | C34 | H36 | 146.8° | 56.6° |
| C29 | C35 | C34 | H37 | 94.7° | 176.4° |
| C29 | C35 | C36 | H38 | 180.0° | 75.4° |
| C29 | C35 | C36 | H39 | 60.0° | 164.6° |
| C29 | C35 | C36 | H40 | 60.0° | 44.6° |
| C29 | C35 | C37 | H41 | 180.0° | 60.0° |
| C29 | C35 | C37 | H42 | 60.0° | 180.0° |
| C29 | C35 | C37 | H43 | 60.0° | 60.0° |
| C35 | C29 | O39 | H57 | 166.8° | 179.7° |
| C34 | C35 | C36 | C37 | 114.0° | 120.3° |
| C35 | C34 | C33 | H35 | 76.0° | 176.4° |
| C35 | C34 | H36 | H37 | 117.8° | 119.7° |
| C34 | C35 | C36 | H38 | 54.8° | 165.0° |
| C34 | C35 | C36 | H39 | 65.2° | 45.0° |
| C34 | C35 | C36 | H40 | 174.8° | 75.1° |
| C34 | C35 | C37 | H41 | 53.0° | 59.8° |
| C34 | C35 | C37 | H42 | 173.1° | 60.2° |
| C34 | C35 | C37 | H43 | 66.9° | 179.8° |
| C23 | C22 | C21 | H24 | 180.0° | 180.0° |
| C23 | C22 | C21 | C19 | 179.5° | 180.0° |
| C23 | C22 | C21 | H23 | 0.5° | 0.0° |
| C36 | C35 | C34 | H36 | 91.0° | 176.5° |
| C36 | C35 | C34 | H37 | 27.6° | 63.8° |
| C35 | C36 | H38 | H39 | 120.0° | 120.1° |
| C35 | C36 | H38 | H40 | 120.0° | 119.9° |
| C35 | C36 | H39 | H40 | 120.0° | 120.0° |
| C36 | C35 | C37 | H41 | 58.5° | 179.9° |
| C36 | C35 | C37 | H42 | 61.5° | 59.9° |
| C36 | C35 | C37 | H43 | 178.5° | 60.1° |
| C37 | C35 | C34 | H36 | 23.2° | 63.3° |
| C37 | C35 | C34 | H37 | 141.8° | 56.4° |
| C37 | C35 | C36 | H38 | 59.2° | 44.7° |
| C37 | C35 | C36 | H39 | 179.2° | 75.3° |
| C37 | C35 | C36 | H40 | 60.8° | 164.6° |
| C35 | C37 | H41 | H42 | 120.0° | 120.0° |
| C35 | C37 | H41 | H43 | 120.0° | 120.0° |
| C35 | C37 | H42 | H43 | 120.0° | 119.9° |
| C22 | C21 | C19 | C20 | 34.3° | 0.0° |
| C22 | C21 | C19 | H23 | 180.0° | 180.0° |
| C22 | C21 | C19 | C18 | 145.3° | 180.0° |
| C21 | C22 | C23 | H25 | 19.0° | 0.0° |
| C20 | C19 | C21 | C18 | 179.6° | 180.0° |
| C20 | C19 | C18 | C17 | 0.9° | 0.0° |
| C20 | C19 | C18 | H19 | 179.1° | 180.0° |
| C19 | C20 | H20 | H21 | 120.0° | 120.0° |
| C19 | C20 | H20 | H22 | 120.0° | 120.0° |
| C19 | C20 | H21 | H22 | 120.0° | 119.9° |
| C20 | C19 | C21 | H23 | 145.7° | 180.0° |
| C21 | C19 | C18 | C17 | 178.7° | 180.0° |
| C21 | C19 | C18 | H19 | 1.3° | 0.0° |
| C21 | C19 | C20 | H20 | 180.0° | 90.0° |
| C21 | C19 | C20 | H21 | 60.0° | 30.1° |
| C21 | C19 | C20 | H22 | 60.0° | 150.0° |
| C19 | C21 | C22 | H24 | 0.5° | 0.0° |
| C19 | C18 | C17 | H19 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 164.9° | 180.0° |
| C19 | C18 | C17 | H18 | 15.1° | 0.0° |
| C18 | C19 | C20 | H20 | 0.4° | 90.0° |
| C18 | C19 | C20 | H21 | 119.6° | 150.0° |
| C18 | C19 | C20 | H22 | 120.4° | 30.0° |
| C18 | C19 | C21 | H23 | 34.7° | 0.0° |
| C18 | C17 | C16 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 178.7° | 180.0° |
| C18 | C17 | C16 | H17 | 1.3° | 0.0° |
| C17 | C16 | C15 | H17 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 162.4° | 180.0° |
| C17 | C16 | C15 | H16 | 17.6° | 0.0° |
| C16 | C17 | C18 | H19 | 15.1° | 0.0° |
| C16 | C15 | C14 | H16 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 179.2° | 180.0° |
| C16 | C15 | C14 | C40 | 1.3° | 0.1° |
| C15 | C16 | C17 | H18 | 1.3° | 0.0° |
| C15 | C14 | C13 | C40 | 179.6° | 180.0° |
| C15 | C14 | C13 | C12 | 153.0° | 180.0° |
| C15 | C14 | C13 | H15 | 27.0° | 0.1° |
| C14 | C15 | C16 | H17 | 17.6° | 0.0° |
| C15 | C14 | C40 | H44 | 180.0° | 90.0° |
| C15 | C14 | C40 | H45 | 60.0° | 30.0° |
| C15 | C14 | C40 | H46 | 60.0° | 149.9° |
| C14 | C13 | C12 | H15 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 179.4° | 180.0° |
| C14 | C13 | C12 | H14 | 0.6° | 0.0° |
| C13 | C14 | C15 | H16 | 0.8° | 0.1° |
| C13 | C14 | C40 | H44 | 0.5° | 90.0° |
| C13 | C14 | C40 | H45 | 119.5° | 150.0° |
| C13 | C14 | C40 | H46 | 120.5° | 30.0° |
| C40 | C14 | C13 | C12 | 27.4° | 0.0° |
| C40 | C14 | C13 | H15 | 152.6° | 180.0° |
| C40 | C14 | C15 | H16 | 178.7° | 180.0° |
| C14 | C40 | H44 | H45 | 120.0° | 120.0° |
| C14 | C40 | H44 | H46 | 120.0° | 120.0° |
| C14 | C40 | H45 | H46 | 120.0° | 120.0° |
| C13 | C12 | C11 | H14 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 142.7° | 180.0° |
| C13 | C12 | C11 | H13 | 37.4° | 0.0° |
| C12 | C11 | C10 | H13 | 180.0° | 179.9° |
| C12 | C11 | C10 | C09 | 179.3° | 180.0° |
| C12 | C11 | C10 | C41 | 0.2° | 0.1° |
| C11 | C12 | C13 | H15 | 0.6° | 0.0° |
| C11 | C10 | C09 | C41 | 179.5° | 179.9° |
| C11 | C10 | C09 | C08 | 172.4° | 180.0° |
| C11 | C10 | C09 | H12 | 7.6° | 0.0° |
| C10 | C11 | C12 | H14 | 37.3° | 0.1° |
| C11 | C10 | C41 | H47 | 180.0° | 90.1° |
| C11 | C10 | C41 | H48 | 60.0° | 30.0° |
| C11 | C10 | C41 | H49 | 60.0° | 150.0° |
| C10 | C09 | C08 | H12 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 179.6° | 180.0° |
| C10 | C09 | C08 | H11 | 0.4° | 0.1° |
| C09 | C10 | C11 | H13 | 0.7° | 0.1° |
| C09 | C10 | C41 | H47 | 0.5° | 90.0° |
| C09 | C10 | C41 | H48 | 119.5° | 149.9° |
| C09 | C10 | C41 | H49 | 120.5° | 29.9° |
| C41 | C10 | C09 | C08 | 7.1° | 0.1° |
| C41 | C10 | C09 | H12 | 172.9° | 179.9° |
| C41 | C10 | C11 | H13 | 179.8° | 180.0° |
| C10 | C41 | H47 | H48 | 120.0° | 120.0° |
| C10 | C41 | H47 | H49 | 120.0° | 120.0° |
| C10 | C41 | H48 | H49 | 120.0° | 120.0° |
| C09 | C08 | C07 | H11 | 180.0° | 180.0° |
| C09 | C08 | C07 | C02 | 127.2° | 120.0° |
| C09 | C08 | C07 | C06 | 104.1° | 119.2° |
| C09 | C08 | C07 | H10 | 11.9° | 0.3° |
| C08 | C07 | C06 | C42 | 69.1° | 70.7° |
| C08 | C07 | C02 | C06 | 128.8° | 120.4° |
| C08 | C07 | C02 | H10 | 115.5° | 119.6° |
| C08 | C07 | C06 | H10 | 116.2° | 119.6° |
| C08 | C07 | C02 | C01 | 4.7° | 42.7° |
| C08 | C07 | C02 | C03 | 154.8° | 137.0° |
| C08 | C07 | C06 | C05 | 169.4° | 169.4° |
| C08 | C07 | C06 | C43 | 49.4° | 49.8° |
| C07 | C08 | C09 | H12 | 0.4° | 0.0° |
| C42 | C06 | C07 | C02 | 163.0° | 169.0° |
| C42 | C06 | C07 | C05 | 121.5° | 119.8° |
| C42 | C06 | C07 | C43 | 118.5° | 120.5° |
| C42 | C06 | C05 | C43 | 116.8° | 120.4° |
| C42 | C06 | C05 | C04 | 172.8° | 172.6° |
| C42 | C06 | C05 | H8 | 66.5° | 67.6° |
| C42 | C06 | C05 | H9 | 52.0° | 52.9° |
| C42 | C06 | C07 | H10 | 47.1° | 48.8° |
| C06 | C42 | H50 | H51 | 120.0° | 120.0° |
| C06 | C42 | H50 | H52 | 120.0° | 120.1° |
| C06 | C42 | H51 | H52 | 120.0° | 120.0° |
| C42 | C06 | C43 | H53 | 180.0° | 179.6° |
| C42 | C06 | C43 | H54 | 60.0° | 59.7° |
| C42 | C06 | C43 | H55 | 60.0° | 60.4° |
| C02 | C07 | C06 | H10 | 115.9° | 120.1° |
| C07 | C02 | C01 | C03 | 161.3° | 179.7° |
| C02 | C07 | C06 | C05 | 41.5° | 49.1° |
| C02 | C07 | C06 | C43 | 78.4° | 70.6° |
| C07 | C02 | C03 | C04 | 16.9° | 0.2° |
| C07 | C02 | C01 | H1 | 180.0° | 179.7° |
| C07 | C02 | C01 | H2 | 60.0° | 60.3° |
| C07 | C02 | C01 | H3 | 60.0° | 59.8° |
| C07 | C02 | C03 | H5 | 163.1° | 179.7° |
| C02 | C07 | C08 | H11 | 52.7° | 60.0° |
| C06 | C07 | C02 | C01 | 133.4° | 163.0° |
| C06 | C07 | C02 | C03 | 26.0° | 16.7° |
| C07 | C06 | C05 | C43 | 121.0° | 119.6° |
| C07 | C06 | C05 | C04 | 50.5° | 67.3° |
| C07 | C06 | C05 | H8 | 171.2° | 52.4° |
| C07 | C06 | C05 | H9 | 70.2° | 172.9° |
| C06 | C07 | C08 | H11 | 75.9° | 60.8° |
| C07 | C06 | C42 | H50 | 180.0° | 179.3° |
| C07 | C06 | C42 | H51 | 60.0° | 60.7° |
| C07 | C06 | C42 | H52 | 60.0° | 59.2° |
| C07 | C06 | C43 | H53 | 60.1° | 59.0° |
| C07 | C06 | C43 | H54 | 59.9° | 61.0° |
| C07 | C06 | C43 | H55 | 179.9° | 179.0° |
| C01 | C02 | C03 | C04 | 143.4° | 179.5° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C01 | C02 | C03 | H5 | 36.6° | 0.5° |
| C01 | C02 | C07 | H10 | 110.8° | 77.0° |
| C02 | C03 | C04 | C05 | 23.2° | 17.1° |
| C02 | C03 | C04 | H5 | 180.0° | 179.9° |
| C02 | C03 | C04 | O44 | 148.6° | 137.3° |
| C03 | C02 | C01 | H1 | 18.7° | 0.0° |
| C03 | C02 | C01 | H2 | 138.8° | 120.0° |
| C03 | C02 | C01 | H3 | 101.3° | 119.9° |
| C02 | C03 | C04 | H7 | 93.9° | 102.9° |
| C03 | C02 | C07 | H10 | 89.7° | 103.3° |
| C06 | C05 | C04 | H8 | 120.8° | 119.8° |
| C06 | C05 | C04 | H9 | 120.7° | 119.9° |
| C06 | C05 | C04 | C03 | 40.2° | 49.4° |
| C06 | C05 | C04 | O44 | 166.0° | 169.6° |
| C06 | C05 | C04 | H7 | 76.9° | 70.6° |
| C06 | C05 | H8 | H9 | 117.7° | 120.7° |
| C05 | C06 | C07 | H10 | 74.4° | 71.0° |
| C05 | C06 | C42 | H50 | 56.3° | 60.0° |
| C05 | C06 | C42 | H51 | 176.3° | 180.0° |
| C05 | C06 | C42 | H52 | 63.7° | 60.0° |
| C05 | C06 | C43 | H53 | 62.7° | 60.0° |
| C05 | C06 | C43 | H54 | 177.4° | 180.0° |
| C05 | C06 | C43 | H55 | 57.3° | 60.0° |
| C43 | C06 | C05 | C04 | 70.5° | 52.2° |
| C43 | C06 | C05 | H8 | 50.3° | 172.0° |
| C43 | C06 | C05 | H9 | 168.8° | 67.5° |
| C43 | C06 | C07 | H10 | 165.7° | 169.3° |
| C43 | C06 | C42 | H50 | 60.4° | 60.4° |
| C43 | C06 | C42 | H51 | 59.6° | 59.6° |
| C43 | C06 | C42 | H52 | 179.6° | 179.6° |
| C06 | C43 | H53 | H54 | 120.0° | 120.0° |
| C06 | C43 | H53 | H55 | 120.0° | 120.0° |
| C06 | C43 | H54 | H55 | 120.0° | 120.0° |
| C05 | C04 | C03 | O44 | 125.4° | 120.2° |
| C05 | C04 | C03 | H7 | 117.1° | 120.0° |
| C05 | C04 | O44 | H7 | 116.1° | 119.6° |
| C05 | C04 | C03 | H5 | 156.9° | 162.8° |
| C04 | C05 | H8 | H9 | 117.7° | 120.4° |
| C05 | C04 | O44 | H58 | 180.0° | 179.3° |
| C03 | C04 | O44 | H7 | 116.6° | 119.7° |
| C03 | C04 | C05 | H8 | 160.9° | 70.3° |
| C03 | C04 | C05 | H9 | 80.6° | 169.3° |
| C03 | C04 | O44 | H58 | 52.7° | 60.0° |
| O44 | C04 | C03 | H5 | 31.4° | 42.6° |
| O44 | C04 | C05 | H8 | 73.2° | 49.9° |
| O44 | C04 | C05 | H9 | 45.3° | 70.5° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H5 | C03 | C04 | H7 | 86.1° | 77.1° |
| H7 | C04 | C05 | H8 | 43.8° | 169.6° |
| H7 | C04 | C05 | H9 | 162.3° | 49.2° |
| H7 | C04 | O44 | H58 | 63.9° | 59.7° |
| H10 | C07 | C08 | H11 | 168.1° | 179.7° |
| H11 | C08 | C09 | H12 | 179.6° | 180.0° |
| H13 | C11 | C12 | H14 | 142.7° | 180.0° |
| H14 | C12 | C13 | H15 | 179.4° | 180.0° |
| H16 | C15 | C16 | H17 | 162.5° | 180.0° |
| H17 | C16 | C17 | H18 | 178.7° | 180.0° |
| H18 | C17 | C18 | H19 | 164.9° | 180.0° |
| H20 | C20 | H21 | H22 | 120.0° | 120.0° |
| H23 | C21 | C22 | H24 | 179.5° | 180.0° |
| H24 | C22 | C23 | H25 | 161.0° | 180.0° |
| H26 | C25 | H27 | H28 | 120.0° | 120.0° |
| H33 | C32 | C33 | H35 | 7.4° | 54.9° |
| H34 | C32 | C33 | H35 | 125.8° | 65.7° |
| H35 | C33 | C34 | H36 | 44.7° | 63.5° |
| H35 | C33 | C34 | H37 | 163.3° | 56.4° |
| H35 | C33 | O38 | H56 | 62.7° | 60.1° |
| H38 | C36 | H39 | H40 | 119.9° | 119.9° |
| H41 | C37 | H42 | H43 | 120.0° | 120.1° |
| H44 | C40 | H45 | H46 | 120.0° | 120.1° |
| H47 | C41 | H48 | H49 | 120.0° | 119.9° |
| H50 | C42 | H51 | H52 | 120.0° | 120.0° |
| H53 | C43 | H54 | H55 | 120.0° | 120.0° |
