A1L4O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C04 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.52Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| O01 | C02 | sing | 1.43Å | 1.43Å | |
| C04 | C07 | sing | 1.50Å | 1.53Å | |
| C02 | C43 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.42Å | 1.48Å | |
| C07 | C41 | doub | 1.32Å | 1.33Å | |
| C43 | C41 | sing | 1.50Å | 1.52Å | |
| C08 | C09 | doub | 1.36Å | 1.33Å | |
| C41 | C42 | sing | 1.51Å | 1.49Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C09 | C10 | sing | 1.41Å | 1.49Å | |
| C10 | C12 | doub | 1.37Å | 1.36Å | |
| C12 | C13 | sing | 1.40Å | 1.46Å | |
| C13 | C14 | doub | 1.38Å | 1.34Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | sing | 1.40Å | 1.49Å | |
| C15 | C17 | doub | 1.38Å | 1.35Å | |
| C17 | C18 | sing | 1.40Å | 1.47Å | |
| C18 | C19 | doub | 1.38Å | 1.33Å | |
| C19 | C20 | sing | 1.40Å | 1.47Å | |
| C20 | C21 | doub | 1.38Å | 1.35Å | |
| C23 | C21 | sing | 1.40Å | 1.48Å | |
| C23 | C24 | doub | 1.38Å | 1.34Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C24 | C25 | sing | 1.40Å | 1.46Å | |
| C25 | C26 | doub | 1.38Å | 1.35Å | |
| C28 | C26 | sing | 1.40Å | 1.47Å | |
| C28 | C29 | doub | 1.37Å | 1.36Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C29 | C30 | sing | 1.41Å | 1.49Å | |
| C30 | C31 | doub | 1.36Å | 1.36Å | |
| C31 | C32 | sing | 1.51Å | 1.50Å | |
| C31 | C33 | sing | 1.42Å | 1.49Å | |
| O36 | C35 | sing | 1.43Å | 1.43Å | |
| C35 | C34 | sing | 1.51Å | 1.53Å | |
| C35 | C37 | sing | 1.53Å | 1.54Å | |
| C33 | C34 | doub | 1.34Å | 1.35Å | |
| C40 | C37 | sing | 1.53Å | 1.53Å | |
| C37 | C39 | sing | 1.53Å | 1.52Å | |
| C37 | O38 | sing | 1.43Å | 1.44Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.09Å | 1.10Å | |
| C06 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H20 | sing | 1.08Å | 1.08Å | |
| C09 | H21 | sing | 1.08Å | 1.08Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.08Å | 1.08Å | |
| C14 | H26 | sing | 1.08Å | 1.08Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.08Å | 1.08Å | |
| C19 | H31 | sing | 1.08Å | 1.08Å | |
| C23 | H32 | sing | 1.08Å | 1.08Å | |
| C25 | H33 | sing | 1.08Å | 1.08Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.08Å | 1.08Å | |
| C30 | H38 | sing | 1.08Å | 1.08Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.08Å | 1.08Å | |
| C34 | H44 | sing | 1.08Å | 1.08Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C39 | H46 | sing | 1.09Å | 1.10Å | |
| C39 | H47 | sing | 1.09Å | 1.10Å | |
| C39 | H48 | sing | 1.09Å | 1.10Å | |
| C40 | H49 | sing | 1.09Å | 1.10Å | |
| C40 | H50 | sing | 1.09Å | 1.10Å | |
| C40 | H51 | sing | 1.09Å | 1.10Å | |
| C42 | H53 | sing | 1.09Å | 1.10Å | |
| C42 | H54 | sing | 1.09Å | 1.10Å | |
| C42 | H55 | sing | 1.09Å | 1.10Å | |
| C43 | H56 | sing | 1.09Å | 1.10Å | |
| C43 | H57 | sing | 1.09Å | 1.10Å | |
| O01 | H58 | sing | 0.97Å | 0.95Å | |
| O36 | H59 | sing | 0.97Å | 0.95Å | |
| O38 | H60 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C04 | C03 | 110.6° | 109.4° |
| C06 | C04 | C05 | 109.5° | 109.2° |
| C06 | C04 | C07 | 110.5° | 109.4° |
| C04 | C06 | H16 | 109.5° | 109.5° |
| C04 | C06 | H17 | 109.5° | 109.5° |
| C04 | C06 | H18 | 109.5° | 109.5° |
| C04 | C03 | C02 | 111.0° | 108.6° |
| C03 | C04 | C05 | 109.0° | 109.4° |
| C03 | C04 | C07 | 110.9° | 110.1° |
| C04 | C03 | H11 | 109.1° | 109.6° |
| C04 | C03 | H12 | 109.1° | 109.6° |
| C03 | C02 | O01 | 109.6° | 109.8° |
| C03 | C02 | C43 | 110.8° | 108.5° |
| C03 | C02 | H10 | 108.2° | 109.7° |
| C02 | C03 | H11 | 109.1° | 109.6° |
| C02 | C03 | H12 | 109.1° | 109.6° |
| C05 | C04 | C07 | 106.2° | 109.3° |
| C04 | C05 | H13 | 109.5° | 109.4° |
| C04 | C05 | H14 | 109.5° | 109.5° |
| C04 | C05 | H15 | 109.5° | 109.5° |
| O01 | C02 | C43 | 110.6° | 109.6° |
| O01 | C02 | H10 | 109.4° | 109.6° |
| C02 | O01 | H58 | 109.5° | 114.0° |
| C04 | C07 | C08 | 114.5° | 118.2° |
| C04 | C07 | C41 | 119.7° | 123.7° |
| C02 | C43 | C41 | 113.6° | 110.1° |
| C43 | C02 | H10 | 108.1° | 109.6° |
| C02 | C43 | H56 | 108.4° | 109.3° |
| C02 | C43 | H57 | 108.4° | 109.3° |
| C08 | C07 | C41 | 125.4° | 118.2° |
| C07 | C08 | C09 | 126.5° | 120.0° |
| C07 | C08 | H20 | 116.7° | 120.0° |
| C07 | C41 | C43 | 123.3° | 123.7° |
| C07 | C41 | C42 | 119.8° | 118.1° |
| C43 | C41 | C42 | 116.8° | 118.2° |
| C41 | C43 | H56 | 108.4° | 109.4° |
| C41 | C43 | H57 | 108.4° | 109.4° |
| C08 | C09 | C10 | 116.9° | 120.0° |
| C09 | C08 | H20 | 116.7° | 120.0° |
| C08 | C09 | H21 | 121.5° | 120.0° |
| C41 | C42 | H53 | 109.5° | 109.5° |
| C41 | C42 | H54 | 109.5° | 109.5° |
| C41 | C42 | H55 | 109.5° | 109.5° |
| C11 | C10 | C09 | 119.1° | 120.0° |
| C11 | C10 | C12 | 119.1° | 120.0° |
| C10 | C11 | H22 | 109.5° | 109.5° |
| C10 | C11 | H23 | 109.5° | 109.5° |
| C10 | C11 | H24 | 109.5° | 109.5° |
| C09 | C10 | C12 | 121.5° | 120.0° |
| C10 | C09 | H21 | 121.5° | 120.0° |
| C10 | C12 | C13 | 122.5° | 120.0° |
| C10 | C12 | H25 | 118.7° | 120.0° |
| C12 | C13 | C14 | 124.8° | 120.0° |
| C12 | C13 | H1 | 117.6° | 120.0° |
| C13 | C12 | H25 | 118.8° | 120.0° |
| C13 | C14 | C15 | 120.3° | 120.0° |
| C14 | C13 | H1 | 117.6° | 120.0° |
| C13 | C14 | H26 | 119.8° | 120.0° |
| C16 | C15 | C14 | 123.1° | 120.0° |
| C16 | C15 | C17 | 118.2° | 120.0° |
| C15 | C16 | H27 | 109.5° | 109.5° |
| C15 | C16 | H28 | 109.5° | 109.5° |
| C15 | C16 | H29 | 109.5° | 109.5° |
| C14 | C15 | C17 | 118.4° | 120.0° |
| C15 | C14 | H26 | 119.8° | 120.0° |
| C15 | C17 | C18 | 122.6° | 120.0° |
| C15 | C17 | H2 | 118.7° | 120.0° |
| C17 | C18 | C19 | 119.2° | 120.1° |
| C18 | C17 | H2 | 118.7° | 120.0° |
| C17 | C18 | H30 | 120.4° | 119.9° |
| C18 | C19 | C20 | 119.6° | 120.1° |
| C19 | C18 | H30 | 120.4° | 120.0° |
| C18 | C19 | H31 | 120.2° | 120.0° |
| C19 | C20 | C21 | 123.4° | 120.0° |
| C19 | C20 | H3 | 118.3° | 119.9° |
| C20 | C19 | H31 | 120.2° | 119.9° |
| C20 | C21 | C23 | 117.2° | 120.0° |
| C20 | C21 | C22 | 123.0° | 120.0° |
| C21 | C20 | H3 | 118.3° | 120.1° |
| C21 | C23 | C24 | 122.0° | 120.0° |
| C23 | C21 | C22 | 119.8° | 120.0° |
| C21 | C23 | H32 | 119.0° | 120.0° |
| C23 | C24 | C25 | 117.3° | 120.0° |
| C23 | C24 | H7 | 121.4° | 120.0° |
| C24 | C23 | H32 | 119.0° | 120.0° |
| C21 | C22 | H4 | 109.5° | 109.4° |
| C21 | C22 | H5 | 109.5° | 109.5° |
| C21 | C22 | H6 | 109.4° | 109.5° |
| C24 | C25 | C26 | 125.2° | 120.0° |
| C25 | C24 | H7 | 121.4° | 120.1° |
| C24 | C25 | H33 | 117.4° | 120.1° |
| C25 | C26 | C28 | 113.9° | 120.0° |
| C25 | C26 | C27 | 123.8° | 120.0° |
| C26 | C25 | H33 | 117.4° | 120.0° |
| C26 | C28 | C29 | 125.5° | 120.0° |
| C28 | C26 | C27 | 121.9° | 120.0° |
| C26 | C28 | H8 | 117.2° | 120.0° |
| C28 | C29 | C30 | 142.9° | 120.0° |
| C29 | C28 | H8 | 117.3° | 120.0° |
| C28 | C29 | H37 | 108.6° | 120.0° |
| C26 | C27 | H34 | 109.5° | 109.5° |
| C26 | C27 | H35 | 109.5° | 109.5° |
| C26 | C27 | H36 | 109.5° | 109.5° |
| C29 | C30 | C31 | 139.6° | 120.0° |
| C30 | C29 | H37 | 108.5° | 120.0° |
| C29 | C30 | H38 | 110.2° | 120.0° |
| C30 | C31 | C32 | 127.5° | 120.0° |
| C30 | C31 | C33 | 120.7° | 120.0° |
| C31 | C30 | H38 | 110.2° | 120.0° |
| C32 | C31 | C33 | 111.7° | 120.0° |
| C31 | C32 | H40 | 109.5° | 109.4° |
| C31 | C32 | H41 | 109.4° | 109.5° |
| C31 | C32 | H42 | 109.5° | 109.5° |
| C31 | C33 | C34 | 131.8° | 120.0° |
| C31 | C33 | H43 | 114.1° | 120.0° |
| O36 | C35 | C34 | 112.4° | 109.5° |
| O36 | C35 | C37 | 107.5° | 109.4° |
| O36 | C35 | H45 | 109.7° | 109.5° |
| C35 | O36 | H59 | 109.5° | 114.0° |
| C34 | C35 | C37 | 110.5° | 109.5° |
| C35 | C34 | C33 | 131.0° | 120.0° |
| C35 | C34 | H44 | 114.5° | 120.0° |
| C34 | C35 | H45 | 108.4° | 109.5° |
| C35 | C37 | C40 | 112.0° | 109.5° |
| C35 | C37 | C39 | 111.4° | 109.5° |
| C35 | C37 | O38 | 111.1° | 109.5° |
| C37 | C35 | H45 | 108.2° | 109.5° |
| C34 | C33 | H43 | 114.1° | 120.0° |
| C33 | C34 | H44 | 114.5° | 120.0° |
| C40 | C37 | C39 | 108.1° | 109.5° |
| C40 | C37 | O38 | 106.5° | 109.4° |
| C37 | C40 | H49 | 109.5° | 109.5° |
| C37 | C40 | H50 | 109.5° | 109.5° |
| C37 | C40 | H51 | 109.5° | 109.5° |
| C39 | C37 | O38 | 107.4° | 109.5° |
| C37 | C39 | H46 | 109.5° | 109.4° |
| C37 | C39 | H47 | 109.5° | 109.5° |
| C37 | C39 | H48 | 109.5° | 109.5° |
| C37 | O38 | H60 | 109.5° | 114.0° |
| H4 | C22 | H5 | 109.5° | 109.5° |
| H4 | C22 | H6 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.5° | 109.7° |
| H13 | C05 | H14 | 109.4° | 109.5° |
| H13 | C05 | H15 | 109.5° | 109.4° |
| H14 | C05 | H15 | 109.4° | 109.5° |
| H16 | C06 | H17 | 109.5° | 109.4° |
| H16 | C06 | H18 | 109.5° | 109.5° |
| H17 | C06 | H18 | 109.4° | 109.5° |
| H22 | C11 | H23 | 109.5° | 109.4° |
| H22 | C11 | H24 | 109.5° | 109.5° |
| H23 | C11 | H24 | 109.4° | 109.4° |
| H27 | C16 | H28 | 109.5° | 109.4° |
| H27 | C16 | H29 | 109.5° | 109.5° |
| H28 | C16 | H29 | 109.4° | 109.5° |
| H34 | C27 | H35 | 109.5° | 109.5° |
| H34 | C27 | H36 | 109.4° | 109.4° |
| H35 | C27 | H36 | 109.5° | 109.5° |
| H40 | C32 | H41 | 109.5° | 109.5° |
| H40 | C32 | H42 | 109.4° | 109.4° |
| H41 | C32 | H42 | 109.5° | 109.5° |
| H46 | C39 | H47 | 109.5° | 109.5° |
| H46 | C39 | H48 | 109.5° | 109.5° |
| H47 | C39 | H48 | 109.5° | 109.5° |
| H49 | C40 | H50 | 109.5° | 109.5° |
| H49 | C40 | H51 | 109.5° | 109.5° |
| H50 | C40 | H51 | 109.5° | 109.5° |
| H53 | C42 | H54 | 109.4° | 109.5° |
| H53 | C42 | H55 | 109.5° | 109.5° |
| H54 | C42 | H55 | 109.5° | 109.4° |
| H56 | C43 | H57 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C04 | C03 | C05 | 120.5° | 119.6° |
| C06 | C04 | C03 | C07 | 122.9° | 120.3° |
| C06 | C04 | C03 | C02 | 175.3° | 170.1° |
| C06 | C04 | C05 | C07 | 119.3° | 119.6° |
| C06 | C04 | C07 | C08 | 52.3° | 42.6° |
| C06 | C04 | C07 | C41 | 133.8° | 137.4° |
| C06 | C04 | C03 | H11 | 55.0° | 70.1° |
| C06 | C04 | C03 | H12 | 64.5° | 50.4° |
| C06 | C04 | C05 | H13 | 180.0° | 59.7° |
| C06 | C04 | C05 | H14 | 60.0° | 60.3° |
| C06 | C04 | C05 | H15 | 60.0° | 179.7° |
| C04 | C06 | H16 | H17 | 120.0° | 120.0° |
| C04 | C06 | H16 | H18 | 120.0° | 120.0° |
| C04 | C06 | H17 | H18 | 119.9° | 120.1° |
| C04 | C03 | C02 | H11 | 120.3° | 119.8° |
| C04 | C03 | C02 | H12 | 120.2° | 119.7° |
| C03 | C04 | C05 | C07 | 119.5° | 120.6° |
| C04 | C03 | C02 | O01 | 178.0° | 172.0° |
| C04 | C03 | C02 | C43 | 59.7° | 68.3° |
| C03 | C04 | C07 | C08 | 175.3° | 162.9° |
| C03 | C04 | C07 | C41 | 10.8° | 17.1° |
| C04 | C03 | C02 | H10 | 58.7° | 51.5° |
| C04 | C03 | H11 | H12 | 119.3° | 120.5° |
| C03 | C04 | C05 | H13 | 58.9° | 60.0° |
| C03 | C04 | C05 | H14 | 61.1° | 180.0° |
| C03 | C04 | C05 | H15 | 178.9° | 59.9° |
| C03 | C04 | C06 | H16 | 180.0° | 55.7° |
| C03 | C04 | C06 | H17 | 60.0° | 175.6° |
| C03 | C04 | C06 | H18 | 60.0° | 64.3° |
| C02 | C03 | C04 | C05 | 64.3° | 70.3° |
| C03 | C02 | O01 | C43 | 122.4° | 119.1° |
| C03 | C02 | O01 | H10 | 118.6° | 120.5° |
| C02 | C03 | C04 | C07 | 52.3° | 49.8° |
| C03 | C02 | C43 | H10 | 118.5° | 119.8° |
| C03 | C02 | C43 | C41 | 26.0° | 49.9° |
| C02 | C03 | H11 | H12 | 119.3° | 120.4° |
| C03 | C02 | C43 | H56 | 94.7° | 70.4° |
| C03 | C02 | C43 | H57 | 146.6° | 170.1° |
| C03 | C02 | O01 | H58 | 180.0° | 179.1° |
| C05 | C04 | C07 | C08 | 66.4° | 77.0° |
| C05 | C04 | C07 | C41 | 107.4° | 103.1° |
| C05 | C04 | C03 | H11 | 175.5° | 49.5° |
| C05 | C04 | C03 | H12 | 55.9° | 170.0° |
| C04 | C05 | H13 | H14 | 120.0° | 120.1° |
| C04 | C05 | H13 | H15 | 120.0° | 120.0° |
| C04 | C05 | H14 | H15 | 120.0° | 120.1° |
| C05 | C04 | C06 | H16 | 59.9° | 175.4° |
| C05 | C04 | C06 | H17 | 60.1° | 64.7° |
| C05 | C04 | C06 | H18 | 179.9° | 55.4° |
| O01 | C02 | C43 | H10 | 119.8° | 120.3° |
| O01 | C02 | C43 | C41 | 147.7° | 169.8° |
| O01 | C02 | C03 | H11 | 61.8° | 52.2° |
| O01 | C02 | C03 | H12 | 57.7° | 68.3° |
| O01 | C02 | C43 | H56 | 27.1° | 49.5° |
| O01 | C02 | C43 | H57 | 91.7° | 70.0° |
| C04 | C07 | C08 | C41 | 173.5° | 179.9° |
| C04 | C07 | C41 | C43 | 24.3° | 0.3° |
| C04 | C07 | C08 | C09 | 144.1° | 121.7° |
| C04 | C07 | C41 | C42 | 150.5° | 179.7° |
| C07 | C04 | C03 | H11 | 67.9° | 169.6° |
| C07 | C04 | C03 | H12 | 172.5° | 69.9° |
| C07 | C04 | C05 | H13 | 60.7° | 179.4° |
| C07 | C04 | C05 | H14 | 179.3° | 59.3° |
| C07 | C04 | C05 | H15 | 59.4° | 60.7° |
| C07 | C04 | C06 | H16 | 56.8° | 65.1° |
| C07 | C04 | C06 | H17 | 176.8° | 54.9° |
| C07 | C04 | C06 | H18 | 63.2° | 174.9° |
| C04 | C07 | C08 | H20 | 35.8° | 58.3° |
| C02 | C43 | C41 | C07 | 16.2° | 17.2° |
| C02 | C43 | C41 | H56 | 120.6° | 120.2° |
| C02 | C43 | C41 | H57 | 120.6° | 120.2° |
| C02 | C43 | C41 | C42 | 158.8° | 162.8° |
| C43 | C02 | C03 | H11 | 60.5° | 172.0° |
| C43 | C02 | C03 | H12 | 180.0° | 51.5° |
| C02 | C43 | H56 | H57 | 118.1° | 119.6° |
| C43 | C02 | O01 | H58 | 57.6° | 60.0° |
| C08 | C07 | C41 | C43 | 148.8° | 179.6° |
| C07 | C08 | C09 | H20 | 180.0° | 180.0° |
| C08 | C07 | C41 | C42 | 36.3° | 0.4° |
| C07 | C08 | C09 | C10 | 169.6° | 177.7° |
| C07 | C08 | C09 | H21 | 10.4° | 2.3° |
| C07 | C41 | C43 | C42 | 175.0° | 180.0° |
| C41 | C07 | C08 | C09 | 29.3° | 58.2° |
| C41 | C07 | C08 | H20 | 150.7° | 121.8° |
| C07 | C41 | C42 | H53 | 180.0° | 85.4° |
| C07 | C41 | C42 | H54 | 60.0° | 154.6° |
| C07 | C41 | C42 | H55 | 60.0° | 34.6° |
| C07 | C41 | C43 | H56 | 136.8° | 103.0° |
| C07 | C41 | C43 | H57 | 104.4° | 137.3° |
| C41 | C43 | C02 | H10 | 92.5° | 69.9° |
| C43 | C41 | C42 | H53 | 4.8° | 94.6° |
| C43 | C41 | C42 | H54 | 124.8° | 25.5° |
| C43 | C41 | C42 | H55 | 115.2° | 145.4° |
| C41 | C43 | H56 | H57 | 118.1° | 119.7° |
| C08 | C09 | C10 | C11 | 20.5° | 0.3° |
| C08 | C09 | C10 | H21 | 180.0° | 180.0° |
| C08 | C09 | C10 | C12 | 153.5° | 180.0° |
| C41 | C42 | H53 | H54 | 120.0° | 120.0° |
| C41 | C42 | H53 | H55 | 120.0° | 120.0° |
| C41 | C42 | H54 | H55 | 120.0° | 120.0° |
| C42 | C41 | C43 | H56 | 38.2° | 77.0° |
| C42 | C41 | C43 | H57 | 80.6° | 42.7° |
| C11 | C10 | C09 | C12 | 174.0° | 179.7° |
| C11 | C10 | C12 | C13 | 1.4° | 0.3° |
| C11 | C10 | C09 | H21 | 159.5° | 179.7° |
| C10 | C11 | H22 | H23 | 120.0° | 120.0° |
| C10 | C11 | H22 | H24 | 120.0° | 120.0° |
| C10 | C11 | H23 | H24 | 120.0° | 120.0° |
| C11 | C10 | C12 | H25 | 178.6° | 179.8° |
| C09 | C10 | C12 | C13 | 175.4° | 180.0° |
| C10 | C09 | C08 | H20 | 10.4° | 2.3° |
| C09 | C10 | C11 | H22 | 180.0° | 90.2° |
| C09 | C10 | C11 | H23 | 60.0° | 29.7° |
| C09 | C10 | C11 | H24 | 60.0° | 149.7° |
| C09 | C10 | C12 | H25 | 4.6° | 0.1° |
| C10 | C12 | C13 | H25 | 180.0° | 180.0° |
| C10 | C12 | C13 | C14 | 176.9° | 180.0° |
| C10 | C12 | C13 | H1 | 3.1° | 0.0° |
| C12 | C10 | C09 | H21 | 26.5° | 0.0° |
| C12 | C10 | C11 | H22 | 5.9° | 90.0° |
| C12 | C10 | C11 | H23 | 114.2° | 150.0° |
| C12 | C10 | C11 | H24 | 125.9° | 30.0° |
| C12 | C13 | C14 | H1 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 176.3° | 180.0° |
| C12 | C13 | C14 | H26 | 3.7° | 0.1° |
| C13 | C14 | C15 | C16 | 14.0° | 0.1° |
| C13 | C14 | C15 | H26 | 180.0° | 179.9° |
| C13 | C14 | C15 | C17 | 160.1° | 180.0° |
| C14 | C13 | C12 | H25 | 3.1° | 0.0° |
| C16 | C15 | C14 | C17 | 174.2° | 179.9° |
| C16 | C15 | C17 | C18 | 0.5° | 0.0° |
| C16 | C15 | C17 | H2 | 179.5° | 180.0° |
| C16 | C15 | C14 | H26 | 166.0° | 180.0° |
| C15 | C16 | H27 | H28 | 120.0° | 120.0° |
| C15 | C16 | H27 | H29 | 120.0° | 120.0° |
| C15 | C16 | H28 | H29 | 120.0° | 120.0° |
| C14 | C15 | C17 | C18 | 175.0° | 180.0° |
| C15 | C14 | C13 | H1 | 3.8° | 0.1° |
| C14 | C15 | C17 | H2 | 5.1° | 0.1° |
| C14 | C15 | C16 | H27 | 180.0° | 89.9° |
| C14 | C15 | C16 | H28 | 60.0° | 30.0° |
| C14 | C15 | C16 | H29 | 60.0° | 150.0° |
| C15 | C17 | C18 | H2 | 180.0° | 179.9° |
| C15 | C17 | C18 | C19 | 177.2° | 180.0° |
| C17 | C15 | C14 | H26 | 19.8° | 0.1° |
| C17 | C15 | C16 | H27 | 5.8° | 90.0° |
| C17 | C15 | C16 | H28 | 114.2° | 150.1° |
| C17 | C15 | C16 | H29 | 125.8° | 30.0° |
| C15 | C17 | C18 | H30 | 2.8° | 0.0° |
| C17 | C18 | C19 | H30 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 179.7° | 180.0° |
| C17 | C18 | C19 | H31 | 0.3° | 0.0° |
| C18 | C19 | C20 | H31 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 173.6° | 180.0° |
| C19 | C18 | C17 | H2 | 2.8° | 0.0° |
| C18 | C19 | C20 | H3 | 6.4° | 0.0° |
| C19 | C20 | C21 | H3 | 180.0° | 180.0° |
| C19 | C20 | C21 | C23 | 176.6° | 180.0° |
| C19 | C20 | C21 | C22 | 0.7° | 0.0° |
| C20 | C19 | C18 | H30 | 0.3° | 0.0° |
| C20 | C21 | C23 | C22 | 177.4° | 180.0° |
| C20 | C21 | C23 | C24 | 162.9° | 180.0° |
| C20 | C21 | C22 | H4 | 180.0° | 90.0° |
| C20 | C21 | C22 | H5 | 60.0° | 150.0° |
| C20 | C21 | C22 | H6 | 60.0° | 30.0° |
| C21 | C20 | C19 | H31 | 6.4° | 0.0° |
| C20 | C21 | C23 | H32 | 17.0° | 0.0° |
| C21 | C23 | C24 | H32 | 180.0° | 179.9° |
| C21 | C23 | C24 | C25 | 174.0° | 180.0° |
| C23 | C21 | C20 | H3 | 3.4° | 0.0° |
| C23 | C21 | C22 | H4 | 2.7° | 90.0° |
| C23 | C21 | C22 | H5 | 117.3° | 30.0° |
| C23 | C21 | C22 | H6 | 122.7° | 150.0° |
| C21 | C23 | C24 | H7 | 6.0° | 0.1° |
| C24 | C23 | C21 | C22 | 14.5° | 0.0° |
| C23 | C24 | C25 | H7 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 164.4° | 179.9° |
| C23 | C24 | C25 | H33 | 15.6° | 0.1° |
| C22 | C21 | C20 | H3 | 179.3° | 180.0° |
| C21 | C22 | H4 | H5 | 120.0° | 120.0° |
| C21 | C22 | H4 | H6 | 120.0° | 120.0° |
| C21 | C22 | H5 | H6 | 120.0° | 120.0° |
| C22 | C21 | C23 | H32 | 165.5° | 180.0° |
| C24 | C25 | C26 | H33 | 180.0° | 180.0° |
| C24 | C25 | C26 | C28 | 167.4° | 180.0° |
| C24 | C25 | C26 | C27 | 5.0° | 0.0° |
| C25 | C24 | C23 | H32 | 6.0° | 0.1° |
| C25 | C26 | C28 | C27 | 172.5° | 180.0° |
| C25 | C26 | C28 | C29 | 110.3° | 57.9° |
| C26 | C25 | C24 | H7 | 15.6° | 0.0° |
| C25 | C26 | C28 | H8 | 69.7° | 122.2° |
| C25 | C26 | C27 | H34 | 180.0° | 92.6° |
| C25 | C26 | C27 | H35 | 60.0° | 27.4° |
| C25 | C26 | C27 | H36 | 60.0° | 147.4° |
| C26 | C28 | C29 | H8 | 180.0° | 180.0° |
| C26 | C28 | C29 | C30 | 18.0° | 8.0° |
| C28 | C26 | C25 | H33 | 12.7° | 0.0° |
| C28 | C26 | C27 | H34 | 8.2° | 87.3° |
| C28 | C26 | C27 | H35 | 111.8° | 152.7° |
| C28 | C26 | C27 | H36 | 128.2° | 32.6° |
| C26 | C28 | C29 | H37 | 162.0° | 172.0° |
| C29 | C28 | C26 | C27 | 62.2° | 122.2° |
| C28 | C29 | C30 | H37 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 13.1° | 174.2° |
| C28 | C29 | C30 | H38 | 166.9° | 5.8° |
| C27 | C26 | C28 | H8 | 117.8° | 57.8° |
| C27 | C26 | C25 | H33 | 175.0° | 180.0° |
| C26 | C27 | H34 | H35 | 120.0° | 120.0° |
| C26 | C27 | H34 | H36 | 120.0° | 120.0° |
| C26 | C27 | H35 | H36 | 120.0° | 120.0° |
| C29 | C30 | C31 | H38 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 2.9° | 0.0° |
| C29 | C30 | C31 | C33 | 177.4° | 180.0° |
| C30 | C29 | C28 | H8 | 162.0° | 171.9° |
| C30 | C31 | C32 | C33 | 179.7° | 180.0° |
| C30 | C31 | C33 | C34 | 4.6° | 59.4° |
| C31 | C30 | C29 | H37 | 166.9° | 5.8° |
| C30 | C31 | C32 | H40 | 180.0° | 92.4° |
| C30 | C31 | C32 | H41 | 60.0° | 147.6° |
| C30 | C31 | C32 | H42 | 60.0° | 27.5° |
| C30 | C31 | C33 | H43 | 175.4° | 120.6° |
| C32 | C31 | C33 | C34 | 175.7° | 120.6° |
| C32 | C31 | C30 | H38 | 177.1° | 180.0° |
| C31 | C32 | H40 | H41 | 120.0° | 120.0° |
| C31 | C32 | H40 | H42 | 120.0° | 120.0° |
| C31 | C32 | H41 | H42 | 120.0° | 120.0° |
| C32 | C31 | C33 | H43 | 4.3° | 59.4° |
| C31 | C33 | C34 | C35 | 2.4° | 4.7° |
| C31 | C33 | C34 | H43 | 180.0° | 180.0° |
| C33 | C31 | C30 | H38 | 2.6° | 0.0° |
| C33 | C31 | C32 | H40 | 0.3° | 87.6° |
| C33 | C31 | C32 | H41 | 120.3° | 32.4° |
| C33 | C31 | C32 | H42 | 119.7° | 152.5° |
| C31 | C33 | C34 | H44 | 177.6° | 175.2° |
| O36 | C35 | C34 | C37 | 120.1° | 120.0° |
| O36 | C35 | C34 | H45 | 121.5° | 120.0° |
| O36 | C35 | C37 | H45 | 118.5° | 120.0° |
| O36 | C35 | C34 | C33 | 50.3° | 113.5° |
| O36 | C35 | C37 | C40 | 33.9° | 60.0° |
| O36 | C35 | C37 | C39 | 155.1° | 60.0° |
| O36 | C35 | C37 | O38 | 85.1° | 180.0° |
| O36 | C35 | C34 | H44 | 129.6° | 66.5° |
| C34 | C35 | C37 | H45 | 118.6° | 120.0° |
| C35 | C34 | C33 | H44 | 180.0° | 180.0° |
| C34 | C35 | C37 | C40 | 156.9° | 180.0° |
| C34 | C35 | C37 | C39 | 81.9° | 60.0° |
| C34 | C35 | C37 | O38 | 37.9° | 60.0° |
| C35 | C34 | C33 | H43 | 177.6° | 175.3° |
| C34 | C35 | O36 | H59 | 180.0° | 60.0° |
| C37 | C35 | C34 | C33 | 170.4° | 126.5° |
| C35 | C37 | C40 | C39 | 123.1° | 120.0° |
| C35 | C37 | C40 | O38 | 121.7° | 120.0° |
| C35 | C37 | C39 | O38 | 121.9° | 120.0° |
| C37 | C35 | C34 | H44 | 9.5° | 53.5° |
| C35 | C37 | C39 | H46 | 180.0° | 60.0° |
| C35 | C37 | C39 | H47 | 60.0° | 180.0° |
| C35 | C37 | C39 | H48 | 60.0° | 60.0° |
| C35 | C37 | C40 | H49 | 180.0° | 60.0° |
| C35 | C37 | C40 | H50 | 60.0° | 180.0° |
| C35 | C37 | C40 | H51 | 60.0° | 60.0° |
| C37 | C35 | O36 | H59 | 58.2° | 60.0° |
| C35 | C37 | O38 | H60 | 180.0° | 180.0° |
| C33 | C34 | C35 | H45 | 71.1° | 6.5° |
| C40 | C37 | C39 | O38 | 114.6° | 120.0° |
| C40 | C37 | C35 | H45 | 84.5° | 60.0° |
| C40 | C37 | C39 | H46 | 56.5° | 60.0° |
| C40 | C37 | C39 | H47 | 63.5° | 60.0° |
| C40 | C37 | C39 | H48 | 176.5° | 180.0° |
| C37 | C40 | H49 | H50 | 120.0° | 120.0° |
| C37 | C40 | H49 | H51 | 120.0° | 120.0° |
| C37 | C40 | H50 | H51 | 120.0° | 120.0° |
| C40 | C37 | O38 | H60 | 57.7° | 60.0° |
| C39 | C37 | C35 | H45 | 36.7° | 180.0° |
| C37 | C39 | H46 | H47 | 120.0° | 120.0° |
| C37 | C39 | H46 | H48 | 120.0° | 120.0° |
| C37 | C39 | H47 | H48 | 120.0° | 120.0° |
| C39 | C37 | C40 | H49 | 56.9° | 180.0° |
| C39 | C37 | C40 | H50 | 176.9° | 60.0° |
| C39 | C37 | C40 | H51 | 63.1° | 60.0° |
| C39 | C37 | O38 | H60 | 57.9° | 60.0° |
| O38 | C37 | C35 | H45 | 156.4° | 60.0° |
| O38 | C37 | C39 | H46 | 58.1° | 180.0° |
| O38 | C37 | C39 | H47 | 178.1° | 60.0° |
| O38 | C37 | C39 | H48 | 61.9° | 60.0° |
| O38 | C37 | C40 | H49 | 58.3° | 60.0° |
| O38 | C37 | C40 | H50 | 61.7° | 60.0° |
| O38 | C37 | C40 | H51 | 178.3° | 180.0° |
| H1 | C13 | C12 | H25 | 176.9° | 179.9° |
| H1 | C13 | C14 | H26 | 176.2° | 180.0° |
| H2 | C17 | C18 | H30 | 177.2° | 179.9° |
| H3 | C20 | C19 | H31 | 173.6° | 180.0° |
| H4 | C22 | H5 | H6 | 120.0° | 120.0° |
| H7 | C24 | C23 | H32 | 174.0° | 180.0° |
| H7 | C24 | C25 | H33 | 164.4° | 180.0° |
| H8 | C28 | C29 | H37 | 18.0° | 8.1° |
| H10 | C02 | C03 | H11 | 178.9° | 68.3° |
| H10 | C02 | C03 | H12 | 61.6° | 171.2° |
| H10 | C02 | C43 | H56 | 146.9° | 169.9° |
| H10 | C02 | C43 | H57 | 28.1° | 50.3° |
| H10 | C02 | O01 | H58 | 61.4° | 60.3° |
| H13 | C05 | H14 | H15 | 120.0° | 119.9° |
| H16 | C06 | H17 | H18 | 120.0° | 120.0° |
| H20 | C08 | C09 | H21 | 169.6° | 177.7° |
| H22 | C11 | H23 | H24 | 120.0° | 120.0° |
| H27 | C16 | H28 | H29 | 120.0° | 120.0° |
| H30 | C18 | C19 | H31 | 179.7° | 180.0° |
| H34 | C27 | H35 | H36 | 120.0° | 120.0° |
| H37 | C29 | C30 | H38 | 13.1° | 174.2° |
| H40 | C32 | H41 | H42 | 120.0° | 120.0° |
| H43 | C33 | C34 | H44 | 2.4° | 4.7° |
| H44 | C34 | C35 | H45 | 108.9° | 173.5° |
| H45 | C35 | O36 | H59 | 59.3° | 180.0° |
| H46 | C39 | H47 | H48 | 120.0° | 120.0° |
| H49 | C40 | H50 | H51 | 120.0° | 120.0° |
| H53 | C42 | H54 | H55 | 120.0° | 120.0° |
