A1L8M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| C20 | C19 | doub | 1.31Å | 1.33Å | |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C44 | C45 | sing | 1.53Å | 1.52Å | |
| C44 | C43 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C42 | C41 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C40 | C41 | sing | 1.51Å | 1.50Å | |
| C40 | C39 | doub | 1.31Å | 1.33Å | |
| C39 | C38 | sing | 1.51Å | 1.50Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C38 | C37 | sing | 1.53Å | 1.51Å | |
| C37 | C36 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.51Å | 1.49Å | |
| C36 | C35 | sing | 1.53Å | 1.51Å | |
| C35 | C34 | sing | 1.53Å | 1.51Å | |
| C11 | O11 | doub | 1.21Å | 1.19Å | |
| C11 | O3 | sing | 1.34Å | 1.43Å | |
| O3 | C3 | sing | 1.45Å | 1.41Å | |
| C34 | C33 | sing | 1.53Å | 1.51Å | |
| C33 | C32 | sing | 1.53Å | 1.51Å | |
| O31 | C31 | doub | 1.21Å | 1.20Å | |
| C31 | C32 | sing | 1.51Å | 1.50Å | |
| C31 | O2 | sing | 1.34Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | O2 | sing | 1.45Å | 1.41Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C1 | O3P | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| O3P | H12 | sing | 0.97Å | 0.95Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| C33 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C34 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.09Å | 1.10Å | |
| C35 | H19 | sing | 1.09Å | 1.10Å | |
| C35 | H20 | sing | 1.09Å | 1.10Å | |
| C36 | H21 | sing | 1.09Å | 1.10Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C37 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å | |
| C39 | H27 | sing | 1.08Å | 1.08Å | |
| C40 | H28 | sing | 1.08Å | 1.08Å | |
| C41 | H29 | sing | 1.09Å | 1.10Å | |
| C41 | H30 | sing | 1.09Å | 1.10Å | |
| C42 | H31 | sing | 1.09Å | 1.10Å | |
| C42 | H32 | sing | 1.09Å | 1.10Å | |
| C43 | H33 | sing | 1.09Å | 1.10Å | |
| C43 | H34 | sing | 1.09Å | 1.10Å | |
| C44 | H35 | sing | 1.09Å | 1.10Å | |
| C44 | H36 | sing | 1.09Å | 1.10Å | |
| C45 | H37 | sing | 1.09Å | 1.10Å | |
| C45 | H38 | sing | 1.09Å | 1.10Å | |
| C45 | H39 | sing | 1.09Å | 1.10Å | |
| C15 | H40 | sing | 1.09Å | 1.10Å | |
| C15 | H41 | sing | 1.09Å | 1.10Å | |
| C16 | H42 | sing | 1.09Å | 1.10Å | |
| C16 | H43 | sing | 1.09Å | 1.10Å | |
| C17 | H44 | sing | 1.09Å | 1.10Å | |
| C17 | H45 | sing | 1.09Å | 1.10Å | |
| C18 | H46 | sing | 1.09Å | 1.10Å | |
| C18 | H47 | sing | 1.09Å | 1.10Å | |
| C19 | H48 | sing | 1.08Å | 1.08Å | |
| C20 | H49 | sing | 1.08Å | 1.08Å | |
| C21 | H50 | sing | 1.09Å | 1.10Å | |
| C21 | H51 | sing | 1.09Å | 1.10Å | |
| C22 | H52 | sing | 1.09Å | 1.10Å | |
| C22 | H53 | sing | 1.09Å | 1.10Å | |
| C23 | H54 | sing | 1.09Å | 1.10Å | |
| C23 | H55 | sing | 1.09Å | 1.10Å | |
| C24 | H56 | sing | 1.09Å | 1.10Å | |
| C24 | H57 | sing | 1.09Å | 1.10Å | |
| C24 | H58 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C22 | 111.6° | 109.5° |
| C24 | C23 | H54 | 108.9° | 109.5° |
| C24 | C23 | H55 | 108.9° | 109.4° |
| C23 | C24 | H56 | 109.5° | 109.5° |
| C23 | C24 | H57 | 109.5° | 109.4° |
| C23 | C24 | H58 | 109.5° | 109.4° |
| C23 | C22 | C21 | 112.2° | 109.4° |
| C23 | C22 | H52 | 108.8° | 109.5° |
| C23 | C22 | H53 | 108.8° | 109.5° |
| C22 | C23 | H54 | 109.0° | 109.5° |
| C22 | C23 | H55 | 109.0° | 109.5° |
| C22 | C21 | C20 | 110.1° | 109.5° |
| C22 | C21 | H50 | 109.3° | 109.5° |
| C22 | C21 | H51 | 109.3° | 109.5° |
| C21 | C22 | H52 | 108.8° | 109.5° |
| C21 | C22 | H53 | 108.8° | 109.4° |
| C21 | C20 | C19 | 118.4° | 120.0° |
| C21 | C20 | H49 | 120.8° | 120.0° |
| C20 | C21 | H50 | 109.3° | 109.5° |
| C20 | C21 | H51 | 109.3° | 109.5° |
| C20 | C19 | C18 | 122.8° | 120.0° |
| C20 | C19 | H48 | 118.6° | 120.0° |
| C19 | C20 | H49 | 120.8° | 120.0° |
| C19 | C18 | C17 | 107.7° | 109.4° |
| C19 | C18 | H46 | 109.9° | 109.4° |
| C19 | C18 | H47 | 109.9° | 109.5° |
| C18 | C19 | H48 | 118.6° | 120.0° |
| C18 | C17 | C16 | 113.5° | 109.4° |
| C18 | C17 | H44 | 108.5° | 109.5° |
| C18 | C17 | H45 | 108.4° | 109.5° |
| C17 | C18 | H46 | 109.9° | 109.5° |
| C17 | C18 | H47 | 109.9° | 109.5° |
| C45 | C44 | C43 | 112.1° | 109.5° |
| C45 | C44 | H35 | 108.8° | 109.5° |
| C45 | C44 | H36 | 108.8° | 109.5° |
| C44 | C45 | H37 | 109.5° | 109.5° |
| C44 | C45 | H38 | 109.5° | 109.5° |
| C44 | C45 | H39 | 109.5° | 109.5° |
| C44 | C43 | C42 | 109.7° | 109.5° |
| C44 | C43 | H33 | 109.4° | 109.4° |
| C44 | C43 | H34 | 109.4° | 109.5° |
| C43 | C44 | H35 | 108.8° | 109.4° |
| C43 | C44 | H36 | 108.8° | 109.5° |
| C17 | C16 | C15 | 109.2° | 109.5° |
| C17 | C16 | H42 | 109.5° | 109.5° |
| C17 | C16 | H43 | 109.5° | 109.4° |
| C16 | C17 | H44 | 108.5° | 109.5° |
| C16 | C17 | H45 | 108.5° | 109.4° |
| C43 | C42 | C41 | 111.1° | 109.5° |
| C43 | C42 | H31 | 109.1° | 109.5° |
| C43 | C42 | H32 | 109.0° | 109.5° |
| C42 | C43 | H33 | 109.4° | 109.5° |
| C42 | C43 | H34 | 109.4° | 109.5° |
| C42 | C41 | C40 | 109.3° | 109.5° |
| C42 | C41 | H29 | 109.5° | 109.4° |
| C42 | C41 | H30 | 109.5° | 109.5° |
| C41 | C42 | H31 | 109.1° | 109.4° |
| C41 | C42 | H32 | 109.1° | 109.5° |
| C16 | C15 | C14 | 113.5° | 109.5° |
| C16 | C15 | H40 | 108.4° | 109.5° |
| C16 | C15 | H41 | 108.5° | 109.5° |
| C15 | C16 | H42 | 109.5° | 109.5° |
| C15 | C16 | H43 | 109.6° | 109.4° |
| C41 | C40 | C39 | 119.2° | 120.0° |
| C41 | C40 | H28 | 120.4° | 120.0° |
| C40 | C41 | H29 | 109.5° | 109.5° |
| C40 | C41 | H30 | 109.5° | 109.5° |
| C40 | C39 | C38 | 118.9° | 120.0° |
| C40 | C39 | H27 | 120.6° | 120.0° |
| C39 | C40 | H28 | 120.4° | 120.0° |
| C39 | C38 | C37 | 110.7° | 109.5° |
| C39 | C38 | H25 | 109.2° | 109.5° |
| C39 | C38 | H26 | 109.2° | 109.5° |
| C38 | C39 | H27 | 120.5° | 120.0° |
| C15 | C14 | C13 | 109.8° | 109.5° |
| C15 | C14 | H10 | 109.4° | 109.5° |
| C15 | C14 | H11 | 109.4° | 109.5° |
| C14 | C15 | H40 | 108.5° | 109.5° |
| C14 | C15 | H41 | 108.4° | 109.5° |
| C14 | C13 | C12 | 111.4° | 109.5° |
| C14 | C13 | H8 | 109.0° | 109.5° |
| C14 | C13 | H9 | 109.0° | 109.5° |
| C13 | C14 | H10 | 109.4° | 109.5° |
| C13 | C14 | H11 | 109.4° | 109.5° |
| C38 | C37 | C36 | 109.5° | 109.5° |
| C38 | C37 | H23 | 109.5° | 109.5° |
| C38 | C37 | H24 | 109.5° | 109.5° |
| C37 | C38 | H25 | 109.1° | 109.5° |
| C37 | C38 | H26 | 109.2° | 109.5° |
| C37 | C36 | C35 | 111.4° | 109.5° |
| C37 | C36 | H21 | 109.0° | 109.5° |
| C37 | C36 | H22 | 109.0° | 109.4° |
| C36 | C37 | H23 | 109.4° | 109.5° |
| C36 | C37 | H24 | 109.5° | 109.4° |
| C13 | C12 | C11 | 108.5° | 109.5° |
| C13 | C12 | H6 | 109.7° | 109.5° |
| C13 | C12 | H7 | 109.7° | 109.5° |
| C12 | C13 | H8 | 109.0° | 109.5° |
| C12 | C13 | H9 | 109.0° | 109.5° |
| C12 | C11 | O11 | 120.6° | 120.0° |
| C12 | C11 | O3 | 122.3° | 120.1° |
| C11 | C12 | H6 | 109.7° | 109.4° |
| C11 | C12 | H7 | 109.7° | 109.5° |
| C36 | C35 | C34 | 110.2° | 109.5° |
| C36 | C35 | H19 | 109.3° | 109.5° |
| C36 | C35 | H20 | 109.3° | 109.4° |
| C35 | C36 | H21 | 109.0° | 109.5° |
| C35 | C36 | H22 | 109.0° | 109.5° |
| C35 | C34 | C33 | 108.7° | 109.5° |
| C35 | C34 | H17 | 109.7° | 109.5° |
| C35 | C34 | H18 | 109.7° | 109.5° |
| C34 | C35 | H19 | 109.3° | 109.5° |
| C34 | C35 | H20 | 109.3° | 109.5° |
| O11 | C11 | O3 | 117.1° | 120.0° |
| C11 | O3 | C3 | 119.1° | 117.0° |
| O3 | C3 | C2 | 109.3° | 109.5° |
| O3 | C3 | H4 | 109.6° | 109.5° |
| O3 | C3 | H5 | 109.5° | 109.5° |
| C34 | C33 | C32 | 112.3° | 109.5° |
| C34 | C33 | H15 | 108.8° | 109.5° |
| C34 | C33 | H16 | 108.8° | 109.5° |
| C33 | C34 | H17 | 109.6° | 109.4° |
| C33 | C34 | H18 | 109.7° | 109.5° |
| C33 | C32 | C31 | 109.0° | 109.5° |
| C33 | C32 | H13 | 109.6° | 109.5° |
| C33 | C32 | H14 | 109.6° | 109.4° |
| C32 | C33 | H15 | 108.8° | 109.5° |
| C32 | C33 | H16 | 108.8° | 109.4° |
| O31 | C31 | C32 | 120.6° | 120.0° |
| O31 | C31 | O2 | 119.8° | 120.0° |
| C32 | C31 | O2 | 119.6° | 120.0° |
| C31 | C32 | H13 | 109.6° | 109.5° |
| C31 | C32 | H14 | 109.6° | 109.5° |
| C31 | O2 | C2 | 114.6° | 117.0° |
| C3 | C2 | O2 | 108.1° | 109.5° |
| C3 | C2 | C1 | 108.5° | 109.5° |
| C3 | C2 | H3 | 110.3° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.4° |
| O2 | C2 | C1 | 107.7° | 109.5° |
| O2 | C2 | H3 | 111.8° | 109.5° |
| C2 | C1 | O3P | 107.5° | 109.4° |
| C2 | C1 | H1 | 110.0° | 109.4° |
| C2 | C1 | H2 | 109.9° | 109.5° |
| C1 | C2 | H3 | 110.3° | 109.4° |
| O3P | C1 | H1 | 109.9° | 109.5° |
| O3P | C1 | H2 | 110.0° | 109.5° |
| C1 | O3P | H12 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.4° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.4° |
| H8 | C13 | H9 | 109.5° | 109.4° |
| H10 | C14 | H11 | 109.4° | 109.4° |
| H13 | C32 | H14 | 109.5° | 109.5° |
| H15 | C33 | H16 | 109.4° | 109.5° |
| H17 | C34 | H18 | 109.5° | 109.5° |
| H19 | C35 | H20 | 109.5° | 109.4° |
| H21 | C36 | H22 | 109.5° | 109.5° |
| H23 | C37 | H24 | 109.4° | 109.5° |
| H25 | C38 | H26 | 109.5° | 109.5° |
| H29 | C41 | H30 | 109.5° | 109.5° |
| H31 | C42 | H32 | 109.5° | 109.5° |
| H33 | C43 | H34 | 109.5° | 109.5° |
| H35 | C44 | H36 | 109.5° | 109.5° |
| H37 | C45 | H38 | 109.5° | 109.4° |
| H37 | C45 | H39 | 109.5° | 109.5° |
| H38 | C45 | H39 | 109.4° | 109.5° |
| H40 | C15 | H41 | 109.5° | 109.5° |
| H42 | C16 | H43 | 109.5° | 109.5° |
| H44 | C17 | H45 | 109.5° | 109.5° |
| H46 | C18 | H47 | 109.5° | 109.5° |
| H50 | C21 | H51 | 109.5° | 109.5° |
| H52 | C22 | H53 | 109.5° | 109.5° |
| H54 | C23 | H55 | 109.5° | 109.5° |
| H56 | C24 | H57 | 109.5° | 109.5° |
| H56 | C24 | H58 | 109.4° | 109.5° |
| H57 | C24 | H58 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C22 | H54 | 120.3° | 120.0° |
| C24 | C23 | C22 | H55 | 120.3° | 120.0° |
| C24 | C23 | C22 | C21 | 172.7° | 180.0° |
| C24 | C23 | C22 | H52 | 66.9° | 60.0° |
| C24 | C23 | C22 | H53 | 52.3° | 60.0° |
| C24 | C23 | H54 | H55 | 119.0° | 120.0° |
| C23 | C24 | H56 | H57 | 120.0° | 120.0° |
| C23 | C24 | H56 | H58 | 120.0° | 120.0° |
| C23 | C24 | H57 | H58 | 120.0° | 119.9° |
| C23 | C22 | C21 | H52 | 120.4° | 120.0° |
| C23 | C22 | C21 | H53 | 120.4° | 120.0° |
| C23 | C22 | C21 | C20 | 159.6° | 180.0° |
| C23 | C22 | C21 | H50 | 39.6° | 60.0° |
| C23 | C22 | C21 | H51 | 80.3° | 60.0° |
| C23 | C22 | H52 | H53 | 118.7° | 120.0° |
| C22 | C23 | H54 | H55 | 119.0° | 120.0° |
| C22 | C23 | C24 | H56 | 180.0° | 180.0° |
| C22 | C23 | C24 | H57 | 60.0° | 60.0° |
| C22 | C23 | C24 | H58 | 60.0° | 59.9° |
| C22 | C21 | C20 | H50 | 120.1° | 120.0° |
| C22 | C21 | C20 | H51 | 120.1° | 120.0° |
| C22 | C21 | C20 | C19 | 146.2° | 125.0° |
| C22 | C21 | C20 | H49 | 33.8° | 55.0° |
| C22 | C21 | H50 | H51 | 119.7° | 120.0° |
| C21 | C22 | H52 | H53 | 118.8° | 120.0° |
| C21 | C22 | C23 | H54 | 52.4° | 60.0° |
| C21 | C22 | C23 | H55 | 67.0° | 60.1° |
| C21 | C20 | C19 | H49 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 179.9° | 180.0° |
| C21 | C20 | C19 | H48 | 0.1° | 0.1° |
| C20 | C21 | H50 | H51 | 119.7° | 120.0° |
| C20 | C21 | C22 | H52 | 79.9° | 60.0° |
| C20 | C21 | C22 | H53 | 39.2° | 60.1° |
| C20 | C19 | C18 | H48 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 154.5° | 125.0° |
| C20 | C19 | C18 | H46 | 85.8° | 5.1° |
| C20 | C19 | C18 | H47 | 34.8° | 115.0° |
| C19 | C20 | C21 | H50 | 26.1° | 115.0° |
| C19 | C20 | C21 | H51 | 93.7° | 5.0° |
| C19 | C18 | C17 | H46 | 119.7° | 119.9° |
| C19 | C18 | C17 | H47 | 119.7° | 120.0° |
| C19 | C18 | C17 | C16 | 174.3° | 180.0° |
| C19 | C18 | C17 | H44 | 65.1° | 60.0° |
| C19 | C18 | C17 | H45 | 53.7° | 60.0° |
| C19 | C18 | H46 | H47 | 120.8° | 120.0° |
| C18 | C19 | C20 | H49 | 0.1° | 0.0° |
| C18 | C17 | C16 | H44 | 120.6° | 120.0° |
| C18 | C17 | C16 | H45 | 120.6° | 120.0° |
| C18 | C17 | C16 | C15 | 162.3° | 180.0° |
| C18 | C17 | C16 | H42 | 77.8° | 60.0° |
| C18 | C17 | C16 | H43 | 42.3° | 60.0° |
| C18 | C17 | H44 | H45 | 118.2° | 120.0° |
| C17 | C18 | H46 | H47 | 120.8° | 120.1° |
| C17 | C18 | C19 | H48 | 25.5° | 55.1° |
| C45 | C44 | C43 | H35 | 120.4° | 120.0° |
| C45 | C44 | C43 | H36 | 120.4° | 120.1° |
| C45 | C44 | C43 | C42 | 145.8° | 179.9° |
| C45 | C44 | C43 | H33 | 25.8° | 60.0° |
| C45 | C44 | C43 | H34 | 94.2° | 59.9° |
| C45 | C44 | H35 | H36 | 118.8° | 120.0° |
| C44 | C45 | H37 | H38 | 120.0° | 120.0° |
| C44 | C45 | H37 | H39 | 120.0° | 120.1° |
| C44 | C45 | H38 | H39 | 120.0° | 120.0° |
| C44 | C43 | C42 | H33 | 120.0° | 120.0° |
| C44 | C43 | C42 | H34 | 120.0° | 120.0° |
| C44 | C43 | C42 | C41 | 163.3° | NaN° |
| C44 | C43 | C42 | H31 | 76.4° | 60.0° |
| C44 | C43 | C42 | H32 | 43.1° | 60.0° |
| C44 | C43 | H33 | H34 | 119.9° | 120.0° |
| C43 | C44 | H35 | H36 | 118.8° | 120.0° |
| C43 | C44 | C45 | H37 | 180.0° | 180.0° |
| C43 | C44 | C45 | H38 | 60.0° | 60.0° |
| C43 | C44 | C45 | H39 | 60.0° | 60.0° |
| C17 | C16 | C15 | H42 | 120.0° | 120.0° |
| C17 | C16 | C15 | H43 | 119.9° | 119.9° |
| C17 | C16 | C15 | C14 | 177.7° | 180.0° |
| C17 | C16 | C15 | H40 | 61.8° | 60.0° |
| C17 | C16 | C15 | H41 | 57.1° | 60.1° |
| C17 | C16 | H42 | H43 | 120.1° | 120.0° |
| C16 | C17 | H44 | H45 | 118.2° | 120.0° |
| C16 | C17 | C18 | H46 | 54.6° | 60.0° |
| C16 | C17 | C18 | H47 | 66.0° | 60.0° |
| C43 | C42 | C41 | H31 | 120.3° | 120.0° |
| C43 | C42 | C41 | H32 | 120.2° | 120.0° |
| C43 | C42 | C41 | C40 | 169.0° | 180.0° |
| C43 | C42 | C41 | H29 | 49.0° | 60.0° |
| C43 | C42 | C41 | H30 | 71.0° | 60.0° |
| C43 | C42 | H31 | H32 | 119.2° | 120.0° |
| C42 | C43 | H33 | H34 | 120.0° | 120.0° |
| C42 | C43 | C44 | H35 | 93.8° | 60.0° |
| C42 | C43 | C44 | H36 | 25.4° | 60.0° |
| C42 | C41 | C40 | H29 | 120.0° | 120.0° |
| C42 | C41 | C40 | H30 | 120.0° | 120.0° |
| C42 | C41 | C40 | C39 | 164.7° | 126.3° |
| C42 | C41 | C40 | H28 | 15.3° | 53.7° |
| C42 | C41 | H29 | H30 | 120.1° | 120.0° |
| C41 | C42 | H31 | H32 | 119.3° | 120.0° |
| C41 | C42 | C43 | H33 | 43.3° | 60.0° |
| C41 | C42 | C43 | H34 | 76.7° | 60.0° |
| C16 | C15 | C14 | H40 | 120.6° | 120.0° |
| C16 | C15 | C14 | H41 | 120.6° | 120.0° |
| C16 | C15 | C14 | C13 | 176.1° | 180.0° |
| C16 | C15 | C14 | H10 | 63.8° | 60.0° |
| C16 | C15 | C14 | H11 | 56.0° | 60.0° |
| C16 | C15 | H40 | H41 | 118.2° | 120.0° |
| C15 | C16 | H42 | H43 | 120.1° | 120.0° |
| C15 | C16 | C17 | H44 | 41.7° | 60.0° |
| C15 | C16 | C17 | H45 | 77.2° | 60.0° |
| C41 | C40 | C39 | H28 | 180.0° | 180.0° |
| C41 | C40 | C39 | C38 | 0.1° | 7.6° |
| C41 | C40 | C39 | H27 | 179.9° | 172.5° |
| C40 | C41 | H29 | H30 | 120.1° | 120.0° |
| C40 | C41 | C42 | H31 | 70.7° | 60.0° |
| C40 | C41 | C42 | H32 | 48.8° | 60.0° |
| C40 | C39 | C38 | H27 | 180.0° | 180.0° |
| C40 | C39 | C38 | C37 | 174.1° | 127.6° |
| C40 | C39 | C38 | H25 | 65.7° | 7.6° |
| C40 | C39 | C38 | H26 | 53.9° | 112.4° |
| C39 | C40 | C41 | H29 | 44.7° | 113.7° |
| C39 | C40 | C41 | H30 | 75.4° | 6.3° |
| C39 | C38 | C37 | H25 | 120.2° | 120.0° |
| C39 | C38 | C37 | H26 | 120.2° | 120.0° |
| C39 | C38 | C37 | C36 | 138.6° | 180.0° |
| C39 | C38 | C37 | H23 | 18.6° | 60.0° |
| C39 | C38 | C37 | H24 | 101.4° | 60.0° |
| C39 | C38 | H25 | H26 | 119.4° | 120.0° |
| C38 | C39 | C40 | H28 | 179.9° | 172.5° |
| C15 | C14 | C13 | H10 | 120.1° | 120.0° |
| C15 | C14 | C13 | H11 | 120.1° | 120.1° |
| C15 | C14 | C13 | C12 | 175.5° | 180.0° |
| C15 | C14 | C13 | H8 | 64.2° | 60.0° |
| C15 | C14 | C13 | H9 | 55.2° | 59.9° |
| C15 | C14 | H10 | H11 | 119.8° | 120.0° |
| C14 | C15 | H40 | H41 | 118.2° | 120.0° |
| C14 | C15 | C16 | H42 | 57.7° | 60.0° |
| C14 | C15 | C16 | H43 | 62.4° | 60.0° |
| C14 | C13 | C12 | H8 | 120.3° | 120.0° |
| C14 | C13 | C12 | H9 | 120.3° | 120.0° |
| C14 | C13 | C12 | C11 | 167.3° | 180.0° |
| C14 | C13 | C12 | H6 | 72.9° | 60.0° |
| C14 | C13 | C12 | H7 | 47.4° | 59.9° |
| C14 | C13 | H8 | H9 | 119.1° | 119.9° |
| C13 | C14 | H10 | H11 | 119.9° | 119.9° |
| C13 | C14 | C15 | H40 | 55.6° | 60.0° |
| C13 | C14 | C15 | H41 | 63.3° | 60.0° |
| C38 | C37 | C36 | H23 | 120.0° | 120.0° |
| C38 | C37 | C36 | H24 | 120.0° | 120.0° |
| C38 | C37 | C36 | C35 | 145.6° | NaN° |
| C38 | C37 | C36 | H21 | 25.4° | 59.9° |
| C38 | C37 | C36 | H22 | 94.1° | 60.0° |
| C38 | C37 | H23 | H24 | 120.0° | 120.0° |
| C37 | C38 | H25 | H26 | 119.4° | 120.0° |
| C37 | C38 | C39 | H27 | 5.9° | 52.4° |
| C37 | C36 | C35 | H21 | 120.3° | 120.0° |
| C37 | C36 | C35 | H22 | 120.3° | 120.0° |
| C37 | C36 | C35 | C34 | 160.8° | 180.0° |
| C37 | C36 | C35 | H19 | 40.7° | 59.9° |
| C37 | C36 | C35 | H20 | 79.1° | 60.0° |
| C37 | C36 | H21 | H22 | 119.2° | 119.9° |
| C36 | C37 | H23 | H24 | 120.0° | 120.0° |
| C36 | C37 | C38 | H25 | 101.2° | 60.0° |
| C36 | C37 | C38 | H26 | 18.4° | 60.0° |
| C13 | C12 | C11 | H6 | 119.9° | 120.0° |
| C13 | C12 | C11 | H7 | 119.8° | 120.1° |
| C13 | C12 | C11 | O11 | 16.8° | 0.1° |
| C13 | C12 | C11 | O3 | 162.7° | 180.0° |
| C13 | C12 | H6 | H7 | 120.4° | 120.0° |
| C12 | C13 | H8 | H9 | 119.1° | 120.0° |
| C12 | C13 | C14 | H10 | 55.4° | 60.0° |
| C12 | C13 | C14 | H11 | 64.4° | 59.9° |
| C12 | C11 | O11 | O3 | 179.5° | 179.9° |
| C12 | C11 | O3 | C3 | 172.4° | 179.9° |
| C11 | C12 | H6 | H7 | 120.5° | 120.0° |
| C11 | C12 | C13 | H8 | 47.0° | 60.0° |
| C11 | C12 | C13 | H9 | 72.4° | 59.9° |
| C36 | C35 | C34 | H19 | 120.1° | 120.0° |
| C36 | C35 | C34 | H20 | 120.1° | 120.0° |
| C36 | C35 | C34 | C33 | 99.2° | NaN° |
| C36 | C35 | C34 | H17 | 141.0° | 60.0° |
| C36 | C35 | C34 | H18 | 20.7° | 60.0° |
| C36 | C35 | H19 | H20 | 119.6° | 119.9° |
| C35 | C36 | H21 | H22 | 119.1° | 120.0° |
| C35 | C36 | C37 | H23 | 94.3° | 60.0° |
| C35 | C36 | C37 | H24 | 25.6° | 60.0° |
| C35 | C34 | C33 | H17 | 119.9° | 120.0° |
| C35 | C34 | C33 | H18 | 119.9° | 120.0° |
| C35 | C34 | C33 | C32 | 171.9° | 180.0° |
| C35 | C34 | C33 | H15 | 51.5° | 60.0° |
| C35 | C34 | C33 | H16 | 67.7° | 60.0° |
| C35 | C34 | H17 | H18 | 120.4° | 120.0° |
| C34 | C35 | H19 | H20 | 119.7° | 120.1° |
| C34 | C35 | C36 | H21 | 78.9° | 60.0° |
| C34 | C35 | C36 | H22 | 40.5° | 60.0° |
| O11 | C11 | O3 | C3 | 8.2° | 0.0° |
| O11 | C11 | C12 | H6 | 103.1° | 120.1° |
| O11 | C11 | C12 | H7 | 136.6° | 120.0° |
| C11 | O3 | C3 | C2 | 80.2° | 180.0° |
| C11 | O3 | C3 | H4 | 159.8° | 60.0° |
| C11 | O3 | C3 | H5 | 39.8° | 60.0° |
| O3 | C11 | C12 | H6 | 77.5° | 60.0° |
| O3 | C11 | C12 | H7 | 42.8° | 59.9° |
| O3 | C3 | C2 | H4 | 120.0° | 120.0° |
| O3 | C3 | C2 | H5 | 120.0° | 120.0° |
| O3 | C3 | C2 | O2 | 64.5° | 65.0° |
| O3 | C3 | C2 | C1 | 178.9° | 55.0° |
| O3 | C3 | C2 | H3 | 58.0° | 174.9° |
| O3 | C3 | H4 | H5 | 120.1° | 120.0° |
| C34 | C33 | C32 | H15 | 120.4° | 120.0° |
| C34 | C33 | C32 | H16 | 120.4° | 120.0° |
| C34 | C33 | C32 | C31 | 66.6° | 180.0° |
| C34 | C33 | C32 | H13 | 173.5° | 60.0° |
| C34 | C33 | C32 | H14 | 53.4° | 60.0° |
| C34 | C33 | H15 | H16 | 118.7° | 120.0° |
| C33 | C34 | H17 | H18 | 120.3° | 120.0° |
| C33 | C34 | C35 | H19 | 20.9° | 60.0° |
| C33 | C34 | C35 | H20 | 140.7° | 60.0° |
| C33 | C32 | C31 | O31 | 68.4° | 0.0° |
| C33 | C32 | C31 | H13 | 119.9° | 120.1° |
| C33 | C32 | C31 | H14 | 119.9° | 120.0° |
| C33 | C32 | C31 | O2 | 111.1° | 180.0° |
| C33 | C32 | H13 | H14 | 120.2° | 119.9° |
| C32 | C33 | H15 | H16 | 118.7° | 119.9° |
| C32 | C33 | C34 | H17 | 68.2° | 60.0° |
| C32 | C33 | C34 | H18 | 52.0° | 60.0° |
| O31 | C31 | C32 | O2 | 179.6° | 180.0° |
| O31 | C31 | O2 | C2 | 7.8° | 0.0° |
| O31 | C31 | C32 | H13 | 51.5° | 120.0° |
| O31 | C31 | C32 | H14 | 171.6° | 120.0° |
| C32 | C31 | O2 | C2 | 172.7° | 180.0° |
| C31 | C32 | H13 | H14 | 120.2° | 120.0° |
| C31 | C32 | C33 | H15 | 53.9° | 60.0° |
| C31 | C32 | C33 | H16 | 173.0° | 60.0° |
| C31 | O2 | C2 | C3 | 109.6° | 150.0° |
| C31 | O2 | C2 | C1 | 133.4° | 90.0° |
| C31 | O2 | C2 | H3 | 12.0° | 30.0° |
| O2 | C31 | C32 | H13 | 128.9° | 60.0° |
| O2 | C31 | C32 | H14 | 8.8° | 60.0° |
| C3 | C2 | O2 | C1 | 117.1° | 120.0° |
| C3 | C2 | O2 | H3 | 121.6° | 120.0° |
| C3 | C2 | C1 | H3 | 120.9° | 120.0° |
| C3 | C2 | C1 | O3P | 57.8° | 55.0° |
| C3 | C2 | C1 | H1 | 61.9° | 65.0° |
| C3 | C2 | C1 | H2 | 177.5° | 175.0° |
| C2 | C3 | H4 | H5 | 120.1° | 120.0° |
| O2 | C2 | C1 | H3 | 122.3° | 120.0° |
| O2 | C2 | C1 | O3P | 59.0° | 65.0° |
| O2 | C2 | C1 | H1 | 178.7° | 175.0° |
| O2 | C2 | C1 | H2 | 60.7° | 55.0° |
| O2 | C2 | C3 | H4 | 55.5° | 55.0° |
| O2 | C2 | C3 | H5 | 175.5° | 175.0° |
| C2 | C1 | O3P | H1 | 119.7° | 120.0° |
| C2 | C1 | O3P | H2 | 119.7° | 120.0° |
| C2 | C1 | H1 | H2 | 120.9° | 120.0° |
| C1 | C2 | C3 | H4 | 61.1° | 175.0° |
| C1 | C2 | C3 | H5 | 58.9° | 65.0° |
| C2 | C1 | O3P | H12 | 180.0° | 180.0° |
| O3P | C1 | H1 | H2 | 120.9° | 120.1° |
| O3P | C1 | C2 | H3 | 178.7° | 175.0° |
| H1 | C1 | C2 | H3 | 59.1° | 55.0° |
| H1 | C1 | O3P | H12 | 60.3° | 60.1° |
| H2 | C1 | C2 | H3 | 61.6° | 65.0° |
| H2 | C1 | O3P | H12 | 60.3° | 60.0° |
| H3 | C2 | C3 | H4 | 178.0° | 65.0° |
| H3 | C2 | C3 | H5 | 62.0° | 54.9° |
| H6 | C12 | C13 | H8 | 166.8° | 180.0° |
| H6 | C12 | C13 | H9 | 47.4° | 60.0° |
| H7 | C12 | C13 | H8 | 72.9° | 60.1° |
| H7 | C12 | C13 | H9 | 167.7° | 180.0° |
| H8 | C13 | C14 | H10 | 175.7° | 180.0° |
| H8 | C13 | C14 | H11 | 55.9° | 60.1° |
| H9 | C13 | C14 | H10 | 64.8° | 60.1° |
| H9 | C13 | C14 | H11 | 175.3° | 180.0° |
| H10 | C14 | C15 | H40 | 175.6° | 180.0° |
| H10 | C14 | C15 | H41 | 56.8° | 60.0° |
| H11 | C14 | C15 | H40 | 64.5° | 60.0° |
| H11 | C14 | C15 | H41 | 176.6° | 180.0° |
| H13 | C32 | C33 | H15 | 66.0° | 180.0° |
| H13 | C32 | C33 | H16 | 53.1° | 60.0° |
| H14 | C32 | C33 | H15 | 173.8° | 60.0° |
| H14 | C32 | C33 | H16 | 67.1° | 180.0° |
| H15 | C33 | C34 | H17 | 171.3° | 180.0° |
| H15 | C33 | C34 | H18 | 68.4° | 60.0° |
| H16 | C33 | C34 | H17 | 52.2° | 60.0° |
| H16 | C33 | C34 | H18 | 172.4° | 180.0° |
| H17 | C34 | C35 | H19 | 98.9° | 180.0° |
| H17 | C34 | C35 | H20 | 20.9° | 60.0° |
| H18 | C34 | C35 | H19 | 140.8° | 60.0° |
| H18 | C34 | C35 | H20 | 99.4° | 180.0° |
| H19 | C35 | C36 | H21 | 161.0° | 180.0° |
| H19 | C35 | C36 | H22 | 79.6° | 60.0° |
| H20 | C35 | C36 | H21 | 41.2° | 60.0° |
| H20 | C35 | C36 | H22 | 160.6° | 180.0° |
| H21 | C36 | C37 | H23 | 145.4° | 180.0° |
| H21 | C36 | C37 | H24 | 94.7° | 60.0° |
| H22 | C36 | C37 | H23 | 25.9° | 60.0° |
| H22 | C36 | C37 | H24 | 145.9° | 180.0° |
| H23 | C37 | C38 | H25 | 138.8° | 180.0° |
| H23 | C37 | C38 | H26 | 101.6° | 60.0° |
| H24 | C37 | C38 | H25 | 18.8° | 60.0° |
| H24 | C37 | C38 | H26 | 138.4° | 180.0° |
| H25 | C38 | C39 | H27 | 114.3° | 172.3° |
| H26 | C38 | C39 | H27 | 126.1° | 67.7° |
| H27 | C39 | C40 | H28 | 0.0° | 7.5° |
| H28 | C40 | C41 | H29 | 135.3° | 66.3° |
| H28 | C40 | C41 | H30 | 104.7° | 173.7° |
| H29 | C41 | C42 | H31 | 169.3° | 180.0° |
| H29 | C41 | C42 | H32 | 71.2° | 60.0° |
| H30 | C41 | C42 | H31 | 49.2° | 60.0° |
| H30 | C41 | C42 | H32 | 168.8° | 180.0° |
| H31 | C42 | C43 | H33 | 163.6° | 180.0° |
| H31 | C42 | C43 | H34 | 43.6° | 60.0° |
| H32 | C42 | C43 | H33 | 76.9° | 60.0° |
| H32 | C42 | C43 | H34 | 163.1° | 180.0° |
| H33 | C43 | C44 | H35 | 146.2° | 180.0° |
| H33 | C43 | C44 | H36 | 94.6° | 60.0° |
| H34 | C43 | C44 | H35 | 26.2° | 60.0° |
| H34 | C43 | C44 | H36 | 145.4° | 180.0° |
| H35 | C44 | C45 | H37 | 59.6° | 60.1° |
| H35 | C44 | C45 | H38 | 60.4° | NaN° |
| H35 | C44 | C45 | H39 | 179.6° | 60.0° |
| H36 | C44 | C45 | H37 | 59.6° | 59.9° |
| H36 | C44 | C45 | H38 | 179.6° | 60.0° |
| H36 | C44 | C45 | H39 | 60.4° | 180.0° |
| H37 | C45 | H38 | H39 | 120.0° | 120.0° |
| H40 | C15 | C16 | H42 | 178.3° | 180.0° |
| H40 | C15 | C16 | H43 | 58.2° | 60.0° |
| H41 | C15 | C16 | H42 | 62.9° | 60.0° |
| H41 | C15 | C16 | H43 | 177.0° | 180.0° |
| H42 | C16 | C17 | H44 | 161.6° | 180.0° |
| H42 | C16 | C17 | H45 | 42.8° | 60.0° |
| H43 | C16 | C17 | H44 | 78.3° | 60.0° |
| H43 | C16 | C17 | H45 | 162.9° | 180.0° |
| H44 | C17 | C18 | H46 | 175.2° | 179.9° |
| H44 | C17 | C18 | H47 | 54.6° | 60.0° |
| H45 | C17 | C18 | H46 | 66.0° | 59.9° |
| H45 | C17 | C18 | H47 | 173.4° | 180.0° |
| H46 | C18 | C19 | H48 | 94.2° | 175.0° |
| H47 | C18 | C19 | H48 | 145.2° | 64.9° |
| H48 | C19 | C20 | H49 | 179.9° | 180.0° |
| H49 | C20 | C21 | H50 | 153.9° | 65.0° |
| H49 | C20 | C21 | H51 | 86.3° | 175.0° |
| H50 | C21 | C22 | H52 | 160.0° | 180.0° |
| H50 | C21 | C22 | H53 | 80.8° | 60.0° |
| H51 | C21 | C22 | H52 | 40.2° | 60.0° |
| H51 | C21 | C22 | H53 | 159.3° | 180.0° |
| H52 | C22 | C23 | H54 | 172.8° | NaN° |
| H52 | C22 | C23 | H55 | 53.5° | 59.9° |
| H53 | C22 | C23 | H54 | 68.0° | 59.9° |
| H53 | C22 | C23 | H55 | 172.6° | 180.0° |
| H54 | C23 | C24 | H56 | 59.7° | 60.0° |
| H54 | C23 | C24 | H57 | 60.3° | 180.0° |
| H54 | C23 | C24 | H58 | 179.7° | 60.0° |
| H55 | C23 | C24 | H56 | 59.7° | 60.0° |
| H55 | C23 | C24 | H57 | 179.7° | 60.0° |
| H55 | C23 | C24 | H58 | 60.3° | 179.9° |
| H56 | C24 | H57 | H58 | 120.0° | 120.1° |
