II3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C06 | sing | 1.43Å | 1.43Å | |
| C04 | C07 | sing | 1.50Å | 1.49Å | |
| C04 | C12 | sing | 1.51Å | 1.51Å | |
| C04 | C03 | sing | 1.53Å | 1.50Å | |
| C07 | C10 | doub | 1.30Å | 1.33Å | |
| C07 | C15 | sing | 1.51Å | 1.49Å | |
| C10 | C06 | sing | 1.50Å | 1.51Å | |
| C12 | C21 | doub | 1.34Å | 1.33Å | |
| C25 | C24 | sing | 1.51Å | 1.49Å | |
| C05 | C06 | sing | 1.53Å | 1.52Å | |
| C05 | C03 | sing | 1.53Å | 1.51Å | |
| C03 | C09 | sing | 1.53Å | 1.51Å | |
| C03 | C08 | sing | 1.53Å | 1.51Å | |
| C21 | C24 | sing | 1.42Å | 1.48Å | |
| C24 | C26 | doub | 1.36Å | 1.34Å | |
| C26 | C29 | sing | 1.41Å | 1.46Å | |
| C29 | C32 | doub | 1.37Å | 1.33Å | |
| C35 | C33 | sing | 1.51Å | 1.49Å | |
| C32 | C33 | sing | 1.40Å | 1.47Å | |
| C33 | C36 | doub | 1.38Å | 1.34Å | |
| C36 | C39 | sing | 1.40Å | 1.46Å | |
| C39 | C41 | doub | 1.38Å | 1.33Å | |
| C41 | C40 | sing | 1.40Å | 1.46Å | |
| C40 | C38 | doub | 1.38Å | 1.34Å | |
| C38 | C37 | sing | 1.40Å | 1.47Å | |
| C38 | C42 | sing | 1.51Å | 1.49Å | |
| C37 | C34 | doub | 1.38Å | 1.33Å | |
| C34 | C31 | sing | 1.40Å | 1.46Å | |
| C19 | C11 | sing | 1.53Å | 1.52Å | |
| C31 | C28 | doub | 1.37Å | 1.34Å | |
| C13 | C11 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| O02 | C14 | sing | 1.43Å | 1.42Å | |
| C11 | C16 | sing | 1.50Å | 1.48Å | |
| C11 | C20 | sing | 1.53Å | 1.52Å | |
| C14 | C17 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | sing | 1.43Å | 1.26Å | |
| C28 | C30 | sing | 1.51Å | 1.49Å | |
| C27 | C23 | trip | 1.17Å | 1.19Å | |
| C23 | C16 | sing | 1.43Å | 1.26Å | |
| C16 | C18 | doub | 1.32Å | 1.32Å | |
| C18 | C17 | sing | 1.50Å | 1.51Å | |
| C18 | C22 | sing | 1.51Å | 1.49Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.08Å | 1.08Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.08Å | 1.08Å | |
| C29 | H37 | sing | 1.08Å | 1.08Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.08Å | 1.08Å | |
| C32 | H42 | sing | 1.08Å | 1.08Å | |
| C34 | H43 | sing | 1.08Å | 1.08Å | |
| C35 | H44 | sing | 1.09Å | 1.10Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H47 | sing | 1.08Å | 1.08Å | |
| C37 | H48 | sing | 1.08Å | 1.08Å | |
| C39 | H49 | sing | 1.08Å | 1.08Å | |
| C40 | H50 | sing | 1.08Å | 1.08Å | |
| C41 | H51 | sing | 1.08Å | 1.08Å | |
| C42 | H52 | sing | 1.09Å | 1.10Å | |
| C42 | H53 | sing | 1.09Å | 1.10Å | |
| C42 | H54 | sing | 1.09Å | 1.10Å | |
| O01 | H55 | sing | 0.97Å | 0.95Å | |
| O02 | H56 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C06 | C10 | 109.0° | 109.2° |
| O01 | C06 | C05 | 108.2° | 109.3° |
| O01 | C06 | H4 | 110.7° | 109.4° |
| C06 | O01 | H55 | 109.5° | 114.0° |
| C07 | C04 | C12 | 113.5° | 109.4° |
| C07 | C04 | C03 | 105.9° | 110.2° |
| C04 | C07 | C10 | 120.1° | 124.0° |
| C04 | C07 | C15 | 120.8° | 118.0° |
| C07 | C04 | H1 | 109.3° | 109.3° |
| C12 | C04 | C03 | 109.9° | 109.4° |
| C04 | C12 | C21 | 125.3° | 120.0° |
| C12 | C04 | H1 | 109.0° | 109.2° |
| C04 | C12 | H14 | 117.3° | 120.0° |
| C04 | C03 | C05 | 108.3° | 108.6° |
| C04 | C03 | C09 | 110.4° | 109.7° |
| C04 | C03 | C08 | 108.3° | 109.6° |
| C03 | C04 | H1 | 109.1° | 109.4° |
| C10 | C07 | C15 | 119.2° | 118.0° |
| C07 | C10 | C06 | 122.4° | 124.1° |
| C07 | C10 | H12 | 118.8° | 118.0° |
| C07 | C15 | H18 | 109.5° | 109.4° |
| C07 | C15 | H19 | 109.4° | 109.4° |
| C07 | C15 | H20 | 109.5° | 109.4° |
| C10 | C06 | C05 | 109.9° | 110.1° |
| C10 | C06 | H4 | 109.6° | 109.4° |
| C06 | C10 | H12 | 118.8° | 117.9° |
| C12 | C21 | C24 | 118.3° | 120.0° |
| C21 | C12 | H14 | 117.3° | 120.0° |
| C12 | C21 | H29 | 120.8° | 120.0° |
| C25 | C24 | C21 | 119.6° | 120.0° |
| C25 | C24 | C26 | 118.8° | 120.0° |
| C24 | C25 | H33 | 109.5° | 109.5° |
| C24 | C25 | H34 | 109.5° | 109.5° |
| C24 | C25 | H35 | 109.5° | 109.5° |
| C06 | C05 | C03 | 109.9° | 108.4° |
| C06 | C05 | H2 | 109.3° | 109.6° |
| C06 | C05 | H3 | 109.4° | 109.7° |
| C05 | C06 | H4 | 109.4° | 109.4° |
| C05 | C03 | C09 | 109.3° | 109.6° |
| C05 | C03 | C08 | 109.4° | 109.7° |
| C03 | C05 | H2 | 109.4° | 109.6° |
| C03 | C05 | H3 | 109.4° | 109.6° |
| C09 | C03 | C08 | 111.1° | 109.6° |
| C03 | C09 | H9 | 109.5° | 109.5° |
| C03 | C09 | H10 | 109.5° | 109.5° |
| C03 | C09 | H11 | 109.5° | 109.5° |
| C03 | C08 | H6 | 109.5° | 109.4° |
| C03 | C08 | H7 | 109.5° | 109.5° |
| C03 | C08 | H8 | 109.5° | 109.5° |
| C21 | C24 | C26 | 121.6° | 120.0° |
| C24 | C21 | H29 | 120.8° | 120.0° |
| C24 | C26 | C29 | 121.4° | 120.0° |
| C24 | C26 | H36 | 119.3° | 120.0° |
| C26 | C29 | C32 | 119.0° | 120.0° |
| C29 | C26 | H36 | 119.3° | 120.0° |
| C26 | C29 | H37 | 120.5° | 120.0° |
| C29 | C32 | C33 | 122.9° | 120.0° |
| C32 | C29 | H37 | 120.5° | 120.0° |
| C29 | C32 | H42 | 118.6° | 120.0° |
| C35 | C33 | C32 | 120.5° | 120.0° |
| C35 | C33 | C36 | 119.4° | 120.0° |
| C33 | C35 | H44 | 109.5° | 109.5° |
| C33 | C35 | H45 | 109.5° | 109.5° |
| C33 | C35 | H46 | 109.5° | 109.5° |
| C32 | C33 | C36 | 120.1° | 120.0° |
| C33 | C32 | H42 | 118.5° | 120.0° |
| C33 | C36 | C39 | 121.4° | 120.0° |
| C33 | C36 | H47 | 119.3° | 120.0° |
| C36 | C39 | C41 | 121.4° | 120.0° |
| C39 | C36 | H47 | 119.3° | 120.0° |
| C36 | C39 | H49 | 119.3° | 119.9° |
| C39 | C41 | C40 | 119.5° | 120.0° |
| C41 | C39 | H49 | 119.3° | 120.0° |
| C39 | C41 | H51 | 120.3° | 120.0° |
| C41 | C40 | C38 | 122.2° | 120.0° |
| C41 | C40 | H50 | 118.9° | 120.0° |
| C40 | C41 | H51 | 120.3° | 120.0° |
| C40 | C38 | C37 | 119.6° | 120.0° |
| C40 | C38 | C42 | 120.3° | 120.0° |
| C38 | C40 | H50 | 118.9° | 120.0° |
| C37 | C38 | C42 | 120.0° | 120.0° |
| C38 | C37 | C34 | 122.1° | 120.1° |
| C38 | C37 | H48 | 118.9° | 120.0° |
| C38 | C42 | H52 | 109.5° | 109.4° |
| C38 | C42 | H53 | 109.5° | 109.5° |
| C38 | C42 | H54 | 109.5° | 109.4° |
| C37 | C34 | C31 | 119.6° | 120.0° |
| C37 | C34 | H43 | 120.2° | 119.9° |
| C34 | C37 | H48 | 119.0° | 120.0° |
| C34 | C31 | C28 | 121.3° | 120.0° |
| C34 | C31 | H41 | 119.4° | 120.0° |
| C31 | C34 | H43 | 120.2° | 120.0° |
| C19 | C11 | C13 | 112.3° | 109.2° |
| C19 | C11 | C16 | 109.2° | 109.4° |
| C19 | C11 | C20 | 111.4° | 109.3° |
| C11 | C19 | H23 | 109.5° | 109.5° |
| C11 | C19 | H24 | 109.5° | 109.5° |
| C11 | C19 | H25 | 109.4° | 109.5° |
| C31 | C28 | C27 | 121.4° | 120.0° |
| C31 | C28 | C30 | 119.3° | 120.0° |
| C28 | C31 | H41 | 119.3° | 120.0° |
| C11 | C13 | C14 | 108.3° | 108.5° |
| C13 | C11 | C16 | 105.5° | 110.1° |
| C13 | C11 | C20 | 110.3° | 109.4° |
| C11 | C13 | H15 | 109.8° | 109.7° |
| C11 | C13 | H16 | 109.8° | 109.6° |
| C13 | C14 | O02 | 107.9° | 109.7° |
| C13 | C14 | C17 | 111.3° | 108.6° |
| C14 | C13 | H15 | 109.8° | 109.6° |
| C14 | C13 | H16 | 109.7° | 109.6° |
| C13 | C14 | H17 | 109.1° | 109.7° |
| O02 | C14 | C17 | 109.4° | 109.6° |
| O02 | C14 | H17 | 110.3° | 109.7° |
| C14 | O02 | H56 | 109.5° | 114.0° |
| C16 | C11 | C20 | 107.9° | 109.4° |
| C11 | C16 | C23 | 120.0° | 118.2° |
| C11 | C16 | C18 | 116.5° | 123.7° |
| C11 | C20 | H26 | 109.5° | 109.4° |
| C11 | C20 | H27 | 109.5° | 109.5° |
| C11 | C20 | H28 | 109.5° | 109.5° |
| C14 | C17 | C18 | 112.7° | 110.1° |
| C17 | C14 | H17 | 108.9° | 109.5° |
| C14 | C17 | H21 | 108.7° | 109.4° |
| C14 | C17 | H22 | 108.6° | 109.4° |
| C27 | C28 | C30 | 119.3° | 120.0° |
| C28 | C27 | C23 | 176.8° | 180.0° |
| C28 | C30 | H38 | 109.5° | 109.5° |
| C28 | C30 | H39 | 109.4° | 109.5° |
| C28 | C30 | H40 | 109.5° | 109.4° |
| C27 | C23 | C16 | 178.4° | 180.0° |
| C23 | C16 | C18 | 123.5° | 118.1° |
| C16 | C18 | C17 | 119.9° | 123.7° |
| C16 | C18 | C22 | 120.8° | 118.1° |
| C17 | C18 | C22 | 119.3° | 118.2° |
| C18 | C17 | H21 | 108.6° | 109.3° |
| C18 | C17 | H22 | 108.7° | 109.2° |
| C18 | C22 | H30 | 109.5° | 109.4° |
| C18 | C22 | H31 | 109.5° | 109.4° |
| C18 | C22 | H32 | 109.5° | 109.5° |
| H2 | C05 | H3 | 109.5° | 109.8° |
| H6 | C08 | H7 | 109.5° | 109.5° |
| H6 | C08 | H8 | 109.4° | 109.4° |
| H7 | C08 | H8 | 109.5° | 109.5° |
| H9 | C09 | H10 | 109.4° | 109.4° |
| H9 | C09 | H11 | 109.5° | 109.5° |
| H10 | C09 | H11 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.8° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| H18 | C15 | H20 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H21 | C17 | H22 | 109.5° | 109.4° |
| H23 | C19 | H24 | 109.5° | 109.4° |
| H23 | C19 | H25 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H26 | C20 | H27 | 109.5° | 109.5° |
| H26 | C20 | H28 | 109.5° | 109.5° |
| H27 | C20 | H28 | 109.5° | 109.5° |
| H30 | C22 | H31 | 109.5° | 109.5° |
| H30 | C22 | H32 | 109.4° | 109.5° |
| H31 | C22 | H32 | 109.5° | 109.5° |
| H33 | C25 | H34 | 109.5° | 109.5° |
| H33 | C25 | H35 | 109.5° | 109.5° |
| H34 | C25 | H35 | 109.5° | 109.4° |
| H38 | C30 | H39 | 109.5° | 109.5° |
| H38 | C30 | H40 | 109.4° | 109.5° |
| H39 | C30 | H40 | 109.5° | 109.5° |
| H44 | C35 | H45 | 109.5° | 109.4° |
| H44 | C35 | H46 | 109.5° | 109.5° |
| H45 | C35 | H46 | 109.5° | 109.5° |
| H52 | C42 | H53 | 109.4° | 109.5° |
| H52 | C42 | H54 | 109.4° | 109.4° |
| H53 | C42 | H54 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C06 | C10 | C07 | 145.9° | 137.5° |
| O01 | C06 | C10 | C05 | 118.5° | 120.1° |
| O01 | C06 | C10 | H4 | 121.3° | 119.7° |
| O01 | C06 | C05 | H4 | 120.7° | 119.7° |
| O01 | C06 | C05 | C03 | 164.4° | 169.5° |
| O01 | C06 | C05 | H2 | 44.4° | 70.8° |
| O01 | C06 | C05 | H3 | 75.5° | 49.8° |
| O01 | C06 | C10 | H12 | 34.1° | 42.8° |
| C07 | C04 | C12 | C03 | 118.4° | 120.7° |
| C07 | C04 | C12 | H1 | 122.1° | 119.6° |
| C07 | C04 | C03 | H1 | 117.6° | 120.2° |
| C04 | C07 | C10 | C15 | 179.4° | 180.0° |
| C04 | C07 | C10 | C06 | 28.6° | 0.7° |
| C07 | C04 | C12 | C21 | 39.2° | 119.9° |
| C07 | C04 | C03 | C05 | 63.2° | 49.3° |
| C07 | C04 | C03 | C09 | 177.1° | 169.1° |
| C07 | C04 | C03 | C08 | 55.3° | 70.5° |
| C04 | C07 | C10 | H12 | 151.4° | 179.6° |
| C07 | C04 | C12 | H14 | 140.8° | 60.0° |
| C04 | C07 | C15 | H18 | 180.0° | 89.9° |
| C04 | C07 | C15 | H19 | 60.0° | 150.1° |
| C04 | C07 | C15 | H20 | 60.0° | 30.0° |
| C12 | C04 | C03 | H1 | 119.4° | 119.5° |
| C12 | C04 | C07 | C10 | 165.7° | 137.4° |
| C12 | C04 | C07 | C15 | 14.9° | 42.6° |
| C04 | C12 | C21 | H14 | 180.0° | 179.9° |
| C12 | C04 | C03 | C05 | 173.9° | 169.6° |
| C12 | C04 | C03 | C09 | 54.2° | 70.6° |
| C12 | C04 | C03 | C08 | 67.6° | 49.8° |
| C04 | C12 | C21 | C24 | 179.9° | 180.0° |
| C04 | C12 | C21 | H29 | 0.1° | 0.0° |
| C03 | C04 | C07 | C10 | 45.1° | 17.1° |
| C03 | C04 | C07 | C15 | 135.5° | 162.9° |
| C03 | C04 | C12 | C21 | 79.1° | 119.3° |
| C04 | C03 | C05 | C06 | 67.3° | 67.3° |
| C04 | C03 | C05 | C09 | 120.3° | 119.8° |
| C04 | C03 | C05 | C08 | 117.8° | 119.8° |
| C04 | C03 | C09 | C08 | 120.1° | 120.4° |
| C04 | C03 | C05 | H2 | 52.7° | 173.0° |
| C04 | C03 | C05 | H3 | 172.6° | 52.4° |
| C04 | C03 | C08 | H6 | 180.0° | 179.6° |
| C04 | C03 | C08 | H7 | 60.0° | 59.6° |
| C04 | C03 | C08 | H8 | 60.0° | 60.5° |
| C04 | C03 | C09 | H9 | 180.0° | 60.4° |
| C04 | C03 | C09 | H10 | 60.0° | 59.5° |
| C04 | C03 | C09 | H11 | 60.0° | 179.6° |
| C03 | C04 | C12 | H14 | 100.9° | 60.8° |
| C07 | C10 | C06 | H12 | 180.0° | 179.7° |
| C07 | C10 | C06 | C05 | 27.4° | 17.4° |
| C10 | C07 | C04 | H1 | 72.4° | 103.1° |
| C07 | C10 | C06 | H4 | 92.9° | 102.8° |
| C10 | C07 | C15 | H18 | 0.6° | 90.0° |
| C10 | C07 | C15 | H19 | 119.4° | 30.0° |
| C10 | C07 | C15 | H20 | 120.6° | 150.0° |
| C15 | C07 | C10 | C06 | 151.9° | 179.2° |
| C15 | C07 | C04 | H1 | 107.0° | 76.9° |
| C15 | C07 | C10 | H12 | 28.1° | 0.4° |
| C07 | C15 | H18 | H19 | 120.0° | 119.9° |
| C07 | C15 | H18 | H20 | 120.0° | 120.0° |
| C07 | C15 | H19 | H20 | 120.0° | 120.0° |
| C10 | C06 | C05 | H4 | 120.3° | 120.2° |
| C10 | C06 | C05 | C03 | 45.5° | 49.5° |
| C10 | C06 | C05 | H2 | 74.5° | 169.1° |
| C10 | C06 | C05 | H3 | 165.6° | 70.2° |
| C10 | C06 | O01 | H55 | 180.0° | 59.4° |
| C12 | C21 | C24 | C25 | 11.7° | 0.0° |
| C12 | C21 | C24 | H29 | 180.0° | 180.0° |
| C12 | C21 | C24 | C26 | 168.0° | 180.0° |
| C21 | C12 | C04 | H1 | 161.3° | 0.3° |
| C25 | C24 | C21 | C26 | 179.8° | 180.0° |
| C25 | C24 | C26 | C29 | 0.4° | 0.0° |
| C25 | C24 | C21 | H29 | 168.3° | 180.0° |
| C24 | C25 | H33 | H34 | 120.0° | 120.0° |
| C24 | C25 | H33 | H35 | 120.0° | 120.0° |
| C24 | C25 | H34 | H35 | 120.0° | 120.0° |
| C25 | C24 | C26 | H36 | 179.6° | 180.0° |
| C06 | C05 | C03 | H2 | 120.0° | 119.7° |
| C06 | C05 | C03 | H3 | 120.0° | 119.7° |
| C06 | C05 | C03 | C09 | 172.4° | 172.9° |
| C06 | C05 | C03 | C08 | 50.5° | 52.4° |
| C06 | C05 | H2 | H3 | 119.8° | 120.6° |
| C05 | C06 | C10 | H12 | 152.6° | 162.9° |
| C05 | C06 | O01 | H55 | 60.5° | 180.0° |
| C05 | C03 | C09 | C08 | 120.9° | 120.5° |
| C05 | C03 | C04 | H1 | 54.4° | 70.9° |
| C03 | C05 | H2 | H3 | 119.8° | 120.5° |
| C03 | C05 | C06 | H4 | 74.8° | 70.7° |
| C05 | C03 | C08 | H6 | 62.2° | 60.4° |
| C05 | C03 | C08 | H7 | 57.8° | 59.6° |
| C05 | C03 | C08 | H8 | 177.8° | 179.6° |
| C05 | C03 | C09 | H9 | 61.0° | 179.5° |
| C05 | C03 | C09 | H10 | 179.0° | 59.6° |
| C05 | C03 | C09 | H11 | 59.0° | 60.4° |
| C09 | C03 | C04 | H1 | 65.2° | 48.9° |
| C09 | C03 | C05 | H2 | 67.6° | 53.2° |
| C09 | C03 | C05 | H3 | 52.3° | 67.4° |
| C09 | C03 | C08 | H6 | 58.6° | 60.0° |
| C09 | C03 | C08 | H7 | 178.7° | 180.0° |
| C09 | C03 | C08 | H8 | 61.4° | 60.0° |
| C03 | C09 | H9 | H10 | 120.0° | 120.0° |
| C03 | C09 | H9 | H11 | 120.0° | 120.1° |
| C03 | C09 | H10 | H11 | 120.0° | 120.1° |
| C08 | C03 | C04 | H1 | 172.9° | 169.3° |
| C08 | C03 | C05 | H2 | 170.5° | 67.2° |
| C08 | C03 | C05 | H3 | 69.6° | 172.1° |
| C03 | C08 | H6 | H7 | 120.0° | 120.0° |
| C03 | C08 | H6 | H8 | 120.0° | 120.0° |
| C03 | C08 | H7 | H8 | 120.0° | 120.0° |
| C08 | C03 | C09 | H9 | 59.9° | 60.0° |
| C08 | C03 | C09 | H10 | 60.1° | 179.9° |
| C08 | C03 | C09 | H11 | 179.9° | 60.0° |
| C21 | C24 | C26 | C29 | 179.4° | 180.0° |
| C24 | C21 | C12 | H14 | 0.1° | 0.0° |
| C21 | C24 | C25 | H33 | 180.0° | 90.0° |
| C21 | C24 | C25 | H34 | 60.0° | 150.0° |
| C21 | C24 | C25 | H35 | 60.0° | 30.0° |
| C21 | C24 | C26 | H36 | 0.6° | 0.0° |
| C24 | C26 | C29 | H36 | 180.0° | 180.0° |
| C24 | C26 | C29 | C32 | 168.3° | 180.0° |
| C26 | C24 | C21 | H29 | 11.9° | 0.0° |
| C26 | C24 | C25 | H33 | 0.2° | 90.0° |
| C26 | C24 | C25 | H34 | 120.2° | 30.0° |
| C26 | C24 | C25 | H35 | 119.8° | 150.0° |
| C24 | C26 | C29 | H37 | 11.7° | 0.0° |
| C26 | C29 | C32 | H37 | 180.0° | 180.0° |
| C26 | C29 | C32 | C33 | 179.5° | 180.0° |
| C26 | C29 | C32 | H42 | 0.5° | 0.0° |
| C29 | C32 | C33 | C35 | 1.7° | 0.0° |
| C29 | C32 | C33 | H42 | 180.0° | 180.0° |
| C29 | C32 | C33 | C36 | 179.1° | 180.0° |
| C32 | C29 | C26 | H36 | 11.7° | 0.0° |
| C35 | C33 | C32 | C36 | 179.1° | 179.9° |
| C35 | C33 | C36 | C39 | 0.5° | 0.1° |
| C35 | C33 | C32 | H42 | 178.2° | 180.0° |
| C33 | C35 | H44 | H45 | 120.0° | 120.0° |
| C33 | C35 | H44 | H46 | 120.0° | 120.0° |
| C33 | C35 | H45 | H46 | 120.0° | 120.0° |
| C35 | C33 | C36 | H47 | 179.5° | 180.0° |
| C32 | C33 | C36 | C39 | 179.6° | 180.0° |
| C33 | C32 | C29 | H37 | 0.5° | 0.0° |
| C32 | C33 | C35 | H44 | 180.0° | 90.0° |
| C32 | C33 | C35 | H45 | 60.0° | 150.0° |
| C32 | C33 | C35 | H46 | 60.0° | 30.0° |
| C32 | C33 | C36 | H47 | 0.4° | 0.1° |
| C33 | C36 | C39 | H47 | 180.0° | 179.9° |
| C33 | C36 | C39 | C41 | 140.5° | 180.0° |
| C36 | C33 | C32 | H42 | 0.9° | 0.0° |
| C36 | C33 | C35 | H44 | 0.9° | 89.9° |
| C36 | C33 | C35 | H45 | 120.9° | 30.0° |
| C36 | C33 | C35 | H46 | 119.1° | 150.0° |
| C33 | C36 | C39 | H49 | 39.5° | 0.0° |
| C36 | C39 | C41 | H49 | 180.0° | 180.0° |
| C36 | C39 | C41 | C40 | 179.4° | 180.0° |
| C36 | C39 | C41 | H51 | 0.6° | 0.0° |
| C39 | C41 | C40 | H51 | 180.0° | 180.0° |
| C39 | C41 | C40 | C38 | 145.5° | 180.0° |
| C41 | C39 | C36 | H47 | 39.5° | 0.0° |
| C39 | C41 | C40 | H50 | 34.4° | 0.0° |
| C41 | C40 | C38 | H50 | 180.0° | 179.9° |
| C41 | C40 | C38 | C37 | 178.9° | 180.0° |
| C41 | C40 | C38 | C42 | 0.4° | 0.1° |
| C40 | C41 | C39 | H49 | 0.6° | 0.0° |
| C40 | C38 | C37 | C42 | 178.5° | 179.9° |
| C40 | C38 | C37 | C34 | 179.0° | 180.0° |
| C40 | C38 | C37 | H48 | 1.0° | 0.0° |
| C38 | C40 | C41 | H51 | 34.5° | 0.0° |
| C40 | C38 | C42 | H52 | 180.0° | 90.1° |
| C40 | C38 | C42 | H53 | 60.0° | 30.0° |
| C40 | C38 | C42 | H54 | 60.0° | 150.0° |
| C38 | C37 | C34 | H48 | 180.0° | 180.0° |
| C38 | C37 | C34 | C31 | 178.5° | 180.0° |
| C38 | C37 | C34 | H43 | 1.5° | 0.0° |
| C37 | C38 | C40 | H50 | 1.1° | 0.1° |
| C37 | C38 | C42 | H52 | 1.5° | 90.0° |
| C37 | C38 | C42 | H53 | 121.5° | 150.0° |
| C37 | C38 | C42 | H54 | 118.5° | 29.9° |
| C42 | C38 | C37 | C34 | 2.5° | 0.0° |
| C42 | C38 | C37 | H48 | 177.5° | 180.0° |
| C42 | C38 | C40 | H50 | 179.6° | 180.0° |
| C38 | C42 | H52 | H53 | 120.0° | 120.0° |
| C38 | C42 | H52 | H54 | 120.0° | 119.9° |
| C38 | C42 | H53 | H54 | 120.0° | 120.0° |
| C37 | C34 | C31 | H43 | 180.0° | 180.0° |
| C37 | C34 | C31 | C28 | 171.0° | 180.0° |
| C37 | C34 | C31 | H41 | 9.0° | 0.0° |
| C34 | C31 | C28 | H41 | 180.0° | 180.0° |
| C34 | C31 | C28 | C27 | 178.5° | 180.0° |
| C34 | C31 | C28 | C30 | 0.5° | 0.0° |
| C31 | C34 | C37 | H48 | 1.5° | 0.0° |
| C19 | C11 | C13 | C16 | 118.8° | 120.1° |
| C19 | C11 | C13 | C20 | 125.0° | 119.6° |
| C19 | C11 | C13 | C14 | 169.3° | 170.0° |
| C19 | C11 | C16 | C20 | 121.2° | 119.7° |
| C19 | C11 | C16 | C23 | 15.9° | 42.8° |
| C19 | C11 | C16 | C18 | 163.7° | 137.2° |
| C19 | C11 | C13 | H15 | 70.9° | 50.3° |
| C19 | C11 | C13 | H16 | 49.5° | 70.4° |
| C11 | C19 | H23 | H24 | 120.0° | 120.0° |
| C11 | C19 | H23 | H25 | 120.0° | 120.0° |
| C11 | C19 | H24 | H25 | 120.0° | 120.1° |
| C19 | C11 | C20 | H26 | 180.0° | 179.8° |
| C19 | C11 | C20 | H27 | 60.0° | 60.3° |
| C19 | C11 | C20 | H28 | 60.0° | 59.8° |
| C31 | C28 | C27 | C30 | 179.0° | 180.0° |
| C31 | C28 | C27 | C23 | 90.5° | 62.9° |
| C31 | C28 | C30 | H38 | 180.0° | 90.0° |
| C31 | C28 | C30 | H39 | 60.0° | 30.0° |
| C31 | C28 | C30 | H40 | 60.0° | 150.0° |
| C28 | C31 | C34 | H43 | 9.0° | 0.0° |
| C11 | C13 | C14 | H15 | 119.8° | 119.8° |
| C11 | C13 | C14 | H16 | 119.8° | 119.7° |
| C11 | C13 | C14 | O02 | 163.8° | 172.0° |
| C13 | C11 | C16 | C20 | 117.9° | 120.3° |
| C11 | C13 | C14 | C17 | 43.8° | 68.2° |
| C13 | C11 | C16 | C23 | 136.8° | 162.8° |
| C13 | C11 | C16 | C18 | 42.8° | 17.2° |
| C11 | C13 | H15 | H16 | 120.5° | 120.5° |
| C11 | C13 | C14 | H17 | 76.4° | 51.4° |
| C13 | C11 | C19 | H23 | 180.0° | 179.4° |
| C13 | C11 | C19 | H24 | 60.0° | 59.4° |
| C13 | C11 | C19 | H25 | 60.0° | 60.6° |
| C13 | C11 | C20 | H26 | 54.5° | 60.7° |
| C13 | C11 | C20 | H27 | 65.5° | 59.3° |
| C13 | C11 | C20 | H28 | 174.6° | 179.3° |
| C13 | C14 | O02 | C17 | 121.2° | 119.1° |
| C13 | C14 | O02 | H17 | 119.0° | 120.5° |
| C14 | C13 | C11 | C16 | 71.9° | 49.9° |
| C14 | C13 | C11 | C20 | 44.3° | 70.4° |
| C13 | C14 | C17 | H17 | 120.3° | 119.7° |
| C13 | C14 | C17 | C18 | 9.5° | 49.8° |
| C14 | C13 | H15 | H16 | 120.5° | 120.4° |
| C13 | C14 | C17 | H21 | 130.0° | 70.4° |
| C13 | C14 | C17 | H22 | 111.0° | 169.9° |
| C13 | C14 | O02 | H56 | 180.0° | 180.0° |
| O02 | C14 | C17 | H17 | 120.6° | 120.5° |
| O02 | C14 | C17 | C18 | 109.7° | 169.6° |
| O02 | C14 | C13 | H15 | 44.0° | 68.2° |
| O02 | C14 | C13 | H16 | 76.4° | 52.3° |
| O02 | C14 | C17 | H21 | 10.8° | 49.4° |
| O02 | C14 | C17 | H22 | 129.8° | 70.3° |
| C11 | C16 | C23 | C27 | 81.3° | 47.4° |
| C11 | C16 | C23 | C18 | 179.5° | 180.0° |
| C11 | C16 | C18 | C17 | 13.1° | 0.4° |
| C11 | C16 | C18 | C22 | 167.4° | 179.5° |
| C16 | C11 | C13 | H15 | 47.9° | 69.9° |
| C16 | C11 | C13 | H16 | 168.3° | 169.5° |
| C16 | C11 | C19 | H23 | 63.3° | 60.0° |
| C16 | C11 | C19 | H24 | 176.6° | 180.0° |
| C16 | C11 | C19 | H25 | 56.7° | 60.0° |
| C16 | C11 | C20 | H26 | 60.2° | 60.0° |
| C16 | C11 | C20 | H27 | 179.8° | 180.0° |
| C16 | C11 | C20 | H28 | 59.9° | 59.9° |
| C20 | C11 | C16 | C23 | 105.4° | 77.0° |
| C20 | C11 | C16 | C18 | 75.1° | 103.0° |
| C20 | C11 | C13 | H15 | 164.1° | 169.9° |
| C20 | C11 | C13 | H16 | 75.5° | 49.3° |
| C20 | C11 | C19 | H23 | 55.7° | 59.7° |
| C20 | C11 | C19 | H24 | 64.3° | 60.2° |
| C20 | C11 | C19 | H25 | 175.7° | 179.7° |
| C11 | C20 | H26 | H27 | 120.0° | 120.0° |
| C11 | C20 | H26 | H28 | 120.0° | 119.9° |
| C11 | C20 | H27 | H28 | 120.0° | 120.0° |
| C14 | C17 | C18 | C16 | 41.6° | 17.1° |
| C14 | C17 | C18 | H21 | 120.5° | 120.2° |
| C14 | C17 | C18 | H22 | 120.5° | 120.2° |
| C14 | C17 | C18 | C22 | 139.0° | 162.8° |
| C17 | C14 | C13 | H15 | 76.0° | 51.6° |
| C17 | C14 | C13 | H16 | 163.6° | 172.1° |
| C14 | C17 | H21 | H22 | 118.5° | 119.8° |
| C17 | C14 | O02 | H56 | 58.8° | 60.8° |
| C28 | C27 | C23 | C16 | 52.6° | 110.3° |
| C27 | C28 | C30 | H38 | 1.0° | 90.0° |
| C27 | C28 | C30 | H39 | 121.0° | 150.0° |
| C27 | C28 | C30 | H40 | 119.0° | 30.0° |
| C27 | C28 | C31 | H41 | 1.5° | 0.0° |
| C30 | C28 | C27 | C23 | 88.4° | 117.1° |
| C28 | C30 | H38 | H39 | 120.0° | 120.0° |
| C28 | C30 | H38 | H40 | 120.0° | 120.0° |
| C28 | C30 | H39 | H40 | 120.0° | 119.9° |
| C30 | C28 | C31 | H41 | 179.5° | 179.9° |
| C27 | C23 | C16 | C18 | 98.2° | 132.6° |
| C23 | C16 | C18 | C17 | 167.3° | 179.6° |
| C23 | C16 | C18 | C22 | 12.1° | 0.4° |
| C16 | C18 | C17 | C22 | 179.5° | 179.9° |
| C16 | C18 | C17 | H21 | 162.1° | 103.1° |
| C16 | C18 | C17 | H22 | 78.9° | 137.3° |
| C16 | C18 | C22 | H30 | 180.0° | 90.0° |
| C16 | C18 | C22 | H31 | 60.0° | 150.0° |
| C16 | C18 | C22 | H32 | 60.0° | 30.0° |
| C18 | C17 | C14 | H17 | 129.8° | 69.9° |
| C18 | C17 | H21 | H22 | 118.5° | 119.5° |
| C17 | C18 | C22 | H30 | 0.6° | 90.0° |
| C17 | C18 | C22 | H31 | 119.5° | 29.9° |
| C17 | C18 | C22 | H32 | 120.6° | 150.0° |
| C22 | C18 | C17 | H21 | 18.5° | 77.0° |
| C22 | C18 | C17 | H22 | 100.5° | 42.6° |
| C18 | C22 | H30 | H31 | 120.0° | 119.9° |
| C18 | C22 | H30 | H32 | 120.0° | 120.0° |
| C18 | C22 | H31 | H32 | 120.0° | 120.1° |
| H1 | C04 | C12 | H14 | 18.7° | 179.6° |
| H2 | C05 | C06 | H4 | 165.1° | 48.9° |
| H3 | C05 | C06 | H4 | 45.2° | 169.6° |
| H4 | C06 | C10 | H12 | 87.1° | 76.8° |
| H4 | C06 | O01 | H55 | 59.4° | 60.2° |
| H6 | C08 | H7 | H8 | 120.0° | 120.0° |
| H9 | C09 | H10 | H11 | 120.0° | 120.0° |
| H14 | C12 | C21 | H29 | 179.9° | 179.9° |
| H15 | C13 | C14 | H17 | 163.8° | 171.2° |
| H16 | C13 | C14 | H17 | 43.4° | 68.2° |
| H17 | C14 | C17 | H21 | 109.8° | 169.9° |
| H17 | C14 | C17 | H22 | 9.3° | 50.2° |
| H17 | C14 | O02 | H56 | 61.0° | 59.5° |
| H18 | C15 | H19 | H20 | 120.0° | 120.1° |
| H23 | C19 | H24 | H25 | 120.0° | 120.0° |
| H26 | C20 | H27 | H28 | 120.0° | 120.0° |
| H30 | C22 | H31 | H32 | 120.0° | 120.0° |
| H33 | C25 | H34 | H35 | 120.0° | 120.0° |
| H36 | C26 | C29 | H37 | 168.3° | 179.9° |
| H37 | C29 | C32 | H42 | 179.5° | 179.9° |
| H38 | C30 | H39 | H40 | 120.0° | 120.1° |
| H41 | C31 | C34 | H43 | 171.0° | 179.9° |
| H43 | C34 | C37 | H48 | 178.5° | 180.0° |
| H44 | C35 | H45 | H46 | 120.0° | 120.0° |
| H47 | C36 | C39 | H49 | 140.5° | 179.9° |
| H49 | C39 | C41 | H51 | 179.4° | 180.0° |
| H50 | C40 | C41 | H51 | 145.6° | 179.9° |
| H52 | C42 | H53 | H54 | 120.0° | 120.0° |
