VCG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.52Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| O34 | C33 | sing | 1.43Å | 1.40Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C32 | O31 | sing | 1.43Å | 1.40Å | |
| C08 | C09 | sing | 1.51Å | 1.52Å | |
| O31 | C29 | sing | 1.43Å | 1.39Å | |
| C09 | C10 | doub | 1.31Å | 1.32Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| O30 | C29 | sing | 1.44Å | 1.53Å | |
| O30 | C26 | sing | 1.44Å | 1.30Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.55Å | 1.56Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.54Å | 1.63Å | |
| C28 | C27 | sing | 1.55Å | 1.29Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | O39 | sing | 1.43Å | 1.40Å | |
| C24 | O23 | sing | 1.43Å | 1.40Å | |
| O23 | C22 | sing | 1.43Å | 1.40Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C27 | O35 | sing | 1.43Å | 1.39Å | |
| O19 | C18 | doub | 1.21Å | 1.18Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C18 | O20 | sing | 1.34Å | 1.39Å | |
| O35 | C36 | sing | 1.43Å | 1.40Å | |
| O20 | C21 | sing | 1.45Å | 1.40Å | |
| O39 | C40 | sing | 1.43Å | 1.40Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| O38 | C37 | sing | 1.43Å | 1.40Å | |
| C41 | O42 | sing | 1.43Å | 1.40Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C09 | H14 | sing | 1.08Å | 1.08Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C06 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.09Å | 1.10Å | |
| C05 | H21 | sing | 1.09Å | 1.10Å | |
| C05 | H22 | sing | 1.09Å | 1.10Å | |
| C04 | H23 | sing | 1.09Å | 1.10Å | |
| C04 | H24 | sing | 1.09Å | 1.10Å | |
| C03 | H25 | sing | 1.09Å | 1.10Å | |
| C03 | H26 | sing | 1.09Å | 1.10Å | |
| C02 | H27 | sing | 1.09Å | 1.10Å | |
| C02 | H28 | sing | 1.09Å | 1.10Å | |
| C01 | H29 | sing | 1.09Å | 1.10Å | |
| C01 | H30 | sing | 1.09Å | 1.10Å | |
| C01 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C17 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C32 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å | |
| C33 | H48 | sing | 1.09Å | 1.10Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| O34 | H50 | sing | 0.97Å | 0.95Å | |
| C36 | H51 | sing | 1.09Å | 1.10Å | |
| C36 | H52 | sing | 1.09Å | 1.10Å | |
| C37 | H53 | sing | 1.09Å | 1.10Å | |
| C37 | H54 | sing | 1.09Å | 1.10Å | |
| O38 | H55 | sing | 0.97Å | 0.95Å | |
| C40 | H56 | sing | 1.09Å | 1.10Å | |
| C40 | H57 | sing | 1.09Å | 1.10Å | |
| C41 | H58 | sing | 1.09Å | 1.10Å | |
| C41 | H59 | sing | 1.09Å | 1.10Å | |
| O42 | H60 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 112.8° | 109.5° |
| C01 | C02 | H27 | 108.6° | 109.4° |
| C01 | C02 | H28 | 108.6° | 109.5° |
| C02 | C01 | H29 | 109.5° | 109.5° |
| C02 | C01 | H30 | 109.5° | 109.4° |
| C02 | C01 | H31 | 109.4° | 109.5° |
| C02 | C03 | C04 | 112.3° | 109.5° |
| C02 | C03 | H25 | 108.8° | 109.5° |
| C02 | C03 | H26 | 108.8° | 109.5° |
| C03 | C02 | H27 | 108.6° | 109.5° |
| C03 | C02 | H28 | 108.6° | 109.5° |
| C03 | C04 | C05 | 112.0° | 109.5° |
| C03 | C04 | H23 | 108.8° | 109.5° |
| C03 | C04 | H24 | 108.8° | 109.4° |
| C04 | C03 | H25 | 108.8° | 109.5° |
| C04 | C03 | H26 | 108.8° | 109.4° |
| C04 | C05 | C06 | 112.7° | 109.5° |
| C04 | C05 | H21 | 108.6° | 109.5° |
| C04 | C05 | H22 | 108.7° | 109.5° |
| C05 | C04 | H23 | 108.8° | 109.6° |
| C05 | C04 | H24 | 108.8° | 109.5° |
| C05 | C06 | C07 | 112.6° | 109.5° |
| C05 | C06 | H19 | 108.7° | 109.5° |
| C05 | C06 | H20 | 108.7° | 109.4° |
| C06 | C05 | H21 | 108.7° | 109.5° |
| C06 | C05 | H22 | 108.6° | 109.4° |
| O34 | C33 | C32 | 109.1° | 109.5° |
| O34 | C33 | H48 | 109.6° | 109.5° |
| O34 | C33 | H49 | 109.6° | 109.5° |
| C33 | O34 | H50 | 109.5° | 114.0° |
| C06 | C07 | C08 | 112.1° | 109.5° |
| C06 | C07 | H17 | 108.8° | 109.5° |
| C06 | C07 | H18 | 108.8° | 109.5° |
| C07 | C06 | H19 | 108.7° | 109.5° |
| C07 | C06 | H20 | 108.7° | 109.5° |
| C33 | C32 | O31 | 108.8° | 109.5° |
| C33 | C32 | H46 | 109.7° | 109.5° |
| C33 | C32 | H47 | 109.7° | 109.5° |
| C32 | C33 | H48 | 109.6° | 109.5° |
| C32 | C33 | H49 | 109.6° | 109.5° |
| C07 | C08 | C09 | 112.7° | 109.5° |
| C07 | C08 | H15 | 108.7° | 109.4° |
| C07 | C08 | H16 | 108.7° | 109.5° |
| C08 | C07 | H17 | 108.8° | 109.4° |
| C08 | C07 | H18 | 108.8° | 109.5° |
| C32 | O31 | C29 | 114.4° | 114.0° |
| O31 | C32 | H46 | 109.7° | 109.4° |
| O31 | C32 | H47 | 109.6° | 109.5° |
| C08 | C09 | C10 | 120.0° | 120.0° |
| C08 | C09 | H14 | 120.0° | 119.9° |
| C09 | C08 | H15 | 108.7° | 109.5° |
| C09 | C08 | H16 | 108.7° | 109.5° |
| O31 | C29 | O30 | 111.1° | 110.5° |
| O31 | C29 | C28 | 110.7° | 110.3° |
| O31 | C29 | H45 | 111.9° | 110.3° |
| C09 | C10 | C11 | 120.0° | 120.0° |
| C09 | C10 | H13 | 120.0° | 120.0° |
| C10 | C09 | H14 | 120.0° | 120.1° |
| C13 | C12 | C11 | 112.2° | 109.5° |
| C12 | C13 | C14 | 112.1° | 109.4° |
| C12 | C13 | H7 | 108.8° | 109.5° |
| C12 | C13 | H8 | 108.8° | 109.4° |
| C13 | C12 | H9 | 108.8° | 109.5° |
| C13 | C12 | H10 | 108.8° | 109.4° |
| C12 | C11 | C10 | 111.9° | 109.5° |
| C11 | C12 | H9 | 108.8° | 109.5° |
| C11 | C12 | H10 | 108.8° | 109.5° |
| C12 | C11 | H11 | 108.9° | 109.5° |
| C12 | C11 | H12 | 108.8° | 109.5° |
| C29 | O30 | C26 | 101.0° | 105.3° |
| O30 | C29 | C28 | 103.5° | 104.8° |
| O30 | C29 | H45 | 109.9° | 110.4° |
| O30 | C26 | C25 | 112.9° | 110.4° |
| O30 | C26 | C27 | 105.3° | 104.8° |
| O30 | C26 | H41 | 110.6° | 110.5° |
| C13 | C14 | C15 | 111.5° | 109.4° |
| C13 | C14 | H5 | 109.0° | 109.5° |
| C13 | C14 | H6 | 109.0° | 109.5° |
| C14 | C13 | H7 | 108.8° | 109.5° |
| C14 | C13 | H8 | 108.8° | 109.4° |
| C29 | C28 | C27 | 105.9° | 104.0° |
| C29 | C28 | H43 | 110.4° | 110.5° |
| C29 | C28 | H44 | 110.3° | 110.6° |
| C28 | C29 | H45 | 109.4° | 110.4° |
| C10 | C11 | H11 | 108.9° | 109.5° |
| C10 | C11 | H12 | 108.9° | 109.4° |
| C11 | C10 | H13 | 120.0° | 120.0° |
| C14 | C15 | C16 | 112.0° | 109.5° |
| C14 | C15 | H3 | 108.8° | 109.5° |
| C14 | C15 | H4 | 108.8° | 109.5° |
| C15 | C14 | H5 | 108.9° | 109.4° |
| C15 | C14 | H6 | 109.0° | 109.5° |
| C15 | C16 | C17 | 112.4° | 109.5° |
| C15 | C16 | H1 | 108.7° | 109.4° |
| C15 | C16 | H2 | 108.7° | 109.5° |
| C16 | C15 | H3 | 108.8° | 109.4° |
| C16 | C15 | H4 | 108.8° | 109.4° |
| C25 | C26 | C27 | 114.2° | 110.4° |
| C26 | C25 | C24 | 114.7° | 109.5° |
| C26 | C25 | O39 | 107.3° | 109.5° |
| C26 | C25 | H40 | 108.4° | 109.4° |
| C25 | C26 | H41 | 107.4° | 110.3° |
| C26 | C27 | C28 | 106.6° | 104.1° |
| C26 | C27 | O35 | 111.9° | 110.5° |
| C27 | C26 | H41 | 106.3° | 110.4° |
| C26 | C27 | H42 | 106.9° | 110.5° |
| C28 | C27 | O35 | 109.8° | 110.5° |
| C28 | C27 | H42 | 111.6° | 110.7° |
| C27 | C28 | H43 | 110.4° | 110.5° |
| C27 | C28 | H44 | 110.3° | 110.5° |
| C24 | C25 | O39 | 108.1° | 109.5° |
| C25 | C24 | O23 | 108.5° | 109.5° |
| C25 | C24 | H38 | 109.7° | 109.4° |
| C25 | C24 | H39 | 109.7° | 109.5° |
| C24 | C25 | H40 | 108.4° | 109.5° |
| C25 | O39 | C40 | 114.6° | 114.0° |
| O39 | C25 | H40 | 110.0° | 109.5° |
| C24 | O23 | C22 | 114.0° | 114.0° |
| O23 | C24 | H38 | 109.7° | 109.4° |
| O23 | C24 | H39 | 109.7° | 109.5° |
| O23 | C22 | C21 | 108.6° | 109.5° |
| O23 | C22 | H36 | 109.7° | 109.5° |
| O23 | C22 | H37 | 109.7° | 109.5° |
| C16 | C17 | C18 | 112.3° | 109.5° |
| C17 | C16 | H1 | 108.8° | 109.5° |
| C17 | C16 | H2 | 108.7° | 109.5° |
| C16 | C17 | H32 | 108.8° | 109.5° |
| C16 | C17 | H33 | 108.8° | 109.4° |
| C27 | O35 | C36 | 114.0° | 114.0° |
| O35 | C27 | H42 | 109.9° | 110.4° |
| O19 | C18 | C17 | 120.1° | 120.0° |
| O19 | C18 | O20 | 120.2° | 120.0° |
| C17 | C18 | O20 | 119.7° | 120.0° |
| C18 | C17 | H32 | 108.8° | 109.5° |
| C18 | C17 | H33 | 108.7° | 109.5° |
| C18 | O20 | C21 | 114.1° | 117.0° |
| O35 | C36 | C37 | 109.2° | 109.5° |
| O35 | C36 | H51 | 109.5° | 109.5° |
| O35 | C36 | H52 | 109.6° | 109.5° |
| O20 | C21 | C22 | 108.5° | 109.5° |
| O20 | C21 | H34 | 109.7° | 109.4° |
| O20 | C21 | H35 | 109.7° | 109.5° |
| O39 | C40 | C41 | 107.8° | 109.5° |
| O39 | C40 | H56 | 109.9° | 109.5° |
| O39 | C40 | H57 | 109.9° | 109.4° |
| C40 | C41 | O42 | 108.3° | 109.5° |
| C41 | C40 | H56 | 109.9° | 109.5° |
| C41 | C40 | H57 | 109.9° | 109.5° |
| C40 | C41 | H58 | 109.8° | 109.5° |
| C40 | C41 | H59 | 109.8° | 109.5° |
| C22 | C21 | H34 | 109.7° | 109.5° |
| C22 | C21 | H35 | 109.7° | 109.5° |
| C21 | C22 | H36 | 109.7° | 109.5° |
| C21 | C22 | H37 | 109.7° | 109.4° |
| C36 | C37 | O38 | 108.7° | 109.5° |
| C37 | C36 | H51 | 109.5° | 109.5° |
| C37 | C36 | H52 | 109.5° | 109.5° |
| C36 | C37 | H53 | 109.7° | 109.5° |
| C36 | C37 | H54 | 109.7° | 109.4° |
| O38 | C37 | H53 | 109.6° | 109.5° |
| O38 | C37 | H54 | 109.7° | 109.5° |
| C37 | O38 | H55 | 109.5° | 114.0° |
| O42 | C41 | H58 | 109.8° | 109.5° |
| O42 | C41 | H59 | 109.8° | 109.5° |
| C41 | O42 | H60 | 109.5° | 114.0° |
| H1 | C16 | H2 | 109.5° | 109.4° |
| H3 | C15 | H4 | 109.5° | 109.4° |
| H5 | C14 | H6 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.6° |
| H9 | C12 | H10 | 109.5° | 109.4° |
| H11 | C11 | H12 | 109.4° | 109.4° |
| H15 | C08 | H16 | 109.4° | 109.4° |
| H17 | C07 | H18 | 109.5° | 109.4° |
| H19 | C06 | H20 | 109.5° | 109.5° |
| H21 | C05 | H22 | 109.5° | 109.5° |
| H23 | C04 | H24 | 109.5° | 109.4° |
| H25 | C03 | H26 | 109.5° | 109.5° |
| H27 | C02 | H28 | 109.5° | 109.4° |
| H29 | C01 | H30 | 109.5° | 109.4° |
| H29 | C01 | H31 | 109.5° | 109.5° |
| H30 | C01 | H31 | 109.5° | 109.5° |
| H32 | C17 | H33 | 109.5° | 109.5° |
| H34 | C21 | H35 | 109.5° | 109.4° |
| H36 | C22 | H37 | 109.5° | 109.5° |
| H38 | C24 | H39 | 109.5° | 109.5° |
| H43 | C28 | H44 | 109.5° | 110.5° |
| H46 | C32 | H47 | 109.4° | 109.4° |
| H48 | C33 | H49 | 109.5° | 109.5° |
| H51 | C36 | H52 | 109.5° | 109.5° |
| H53 | C37 | H54 | 109.5° | 109.5° |
| H56 | C40 | H57 | 109.5° | 109.5° |
| H58 | C41 | H59 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H27 | 120.5° | 119.9° |
| C01 | C02 | C03 | H28 | 120.5° | 120.1° |
| C01 | C02 | C03 | C04 | 149.6° | 179.9° |
| C01 | C02 | C03 | H25 | 29.2° | 60.1° |
| C01 | C02 | C03 | H26 | 90.0° | 60.0° |
| C01 | C02 | H27 | H28 | 118.5° | 120.0° |
| C02 | C01 | H29 | H30 | 120.0° | 119.9° |
| C02 | C01 | H29 | H31 | 120.0° | 120.1° |
| C02 | C01 | H30 | H31 | 120.0° | 120.1° |
| C02 | C03 | C04 | H25 | 120.4° | 120.0° |
| C02 | C03 | C04 | H26 | 120.4° | 120.0° |
| C02 | C03 | C04 | C05 | 131.6° | 179.9° |
| C02 | C03 | C04 | H23 | 11.3° | 59.9° |
| C02 | C03 | C04 | H24 | 108.0° | 60.0° |
| C02 | C03 | H25 | H26 | 118.7° | 120.1° |
| C03 | C02 | H27 | H28 | 118.4° | 120.0° |
| C03 | C02 | C01 | H29 | 180.0° | 180.0° |
| C03 | C02 | C01 | H30 | 60.0° | 60.1° |
| C03 | C02 | C01 | H31 | 60.0° | 60.0° |
| C03 | C04 | C05 | H23 | 120.4° | 120.1° |
| C03 | C04 | C05 | H24 | 120.4° | 120.0° |
| C03 | C04 | C05 | C06 | 78.8° | 180.0° |
| C03 | C04 | C05 | H21 | 41.8° | 60.0° |
| C03 | C04 | C05 | H22 | 160.8° | 60.1° |
| C03 | C04 | H23 | H24 | 118.8° | 119.9° |
| C04 | C03 | H25 | H26 | 118.7° | 119.9° |
| C04 | C03 | C02 | H27 | 89.9° | 60.0° |
| C04 | C03 | C02 | H28 | 29.1° | 60.0° |
| C04 | C05 | C06 | H21 | 120.5° | 120.1° |
| C04 | C05 | C06 | H22 | 120.5° | 120.0° |
| C04 | C05 | C06 | C07 | 178.7° | 180.0° |
| C04 | C05 | C06 | H19 | 58.2° | 59.9° |
| C04 | C05 | C06 | H20 | 60.9° | 60.0° |
| C04 | C05 | H21 | H22 | 118.5° | 120.0° |
| C05 | C04 | H23 | H24 | 118.8° | 120.0° |
| C05 | C04 | C03 | H25 | 108.0° | 59.9° |
| C05 | C04 | C03 | H26 | 11.2° | 60.0° |
| C05 | C06 | C07 | H19 | 120.5° | 120.0° |
| C05 | C06 | C07 | H20 | 120.4° | 120.0° |
| C05 | C06 | C07 | C08 | 47.0° | 180.0° |
| C05 | C06 | C07 | H17 | 73.4° | 60.0° |
| C05 | C06 | C07 | H18 | 167.4° | 60.0° |
| C05 | C06 | H19 | H20 | 118.5° | 119.9° |
| C06 | C05 | H21 | H22 | 118.5° | 119.9° |
| C06 | C05 | C04 | H23 | 160.9° | 59.9° |
| C06 | C05 | C04 | H24 | 41.6° | 60.0° |
| O34 | C33 | C32 | H48 | 120.0° | 120.0° |
| O34 | C33 | C32 | H49 | 119.9° | 120.0° |
| O34 | C33 | C32 | O31 | 47.3° | 65.0° |
| O34 | C33 | C32 | H46 | 167.2° | 55.0° |
| O34 | C33 | C32 | H47 | 72.6° | 175.0° |
| O34 | C33 | H48 | H49 | 120.2° | 120.0° |
| C06 | C07 | C08 | H17 | 120.4° | 120.0° |
| C06 | C07 | C08 | H18 | 120.4° | 120.0° |
| C06 | C07 | C08 | C09 | 165.4° | 180.0° |
| C06 | C07 | C08 | H15 | 74.1° | 60.0° |
| C06 | C07 | C08 | H16 | 44.9° | 60.0° |
| C06 | C07 | H17 | H18 | 118.8° | 120.0° |
| C07 | C06 | H19 | H20 | 118.6° | 120.0° |
| C07 | C06 | C05 | H21 | 60.8° | 60.0° |
| C07 | C06 | C05 | H22 | 58.2° | 60.0° |
| C33 | C32 | O31 | H46 | 119.9° | 120.0° |
| C33 | C32 | O31 | H47 | 119.9° | 120.0° |
| C33 | C32 | O31 | C29 | 55.2° | 180.0° |
| C33 | C32 | H46 | H47 | 120.3° | 120.0° |
| C32 | C33 | H48 | H49 | 120.2° | 120.0° |
| C32 | C33 | O34 | H50 | 180.0° | 180.0° |
| C07 | C08 | C09 | H15 | 120.5° | 120.0° |
| C07 | C08 | C09 | H16 | 120.5° | 120.1° |
| C07 | C08 | C09 | C10 | 129.5° | 125.0° |
| C07 | C08 | C09 | H14 | 50.5° | 55.0° |
| C07 | C08 | H15 | H16 | 118.5° | 120.0° |
| C08 | C07 | H17 | H18 | 118.8° | 120.0° |
| C08 | C07 | C06 | H19 | 167.4° | 60.0° |
| C08 | C07 | C06 | H20 | 73.5° | 60.0° |
| C32 | O31 | C29 | O30 | 153.2° | 69.6° |
| C32 | O31 | C29 | C28 | 92.4° | 175.0° |
| C32 | O31 | C29 | H45 | 30.0° | 52.8° |
| O31 | C32 | H46 | H47 | 120.3° | 119.9° |
| O31 | C32 | C33 | H48 | 72.7° | 175.0° |
| O31 | C32 | C33 | H49 | 167.2° | 55.0° |
| C08 | C09 | C10 | H14 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 180.0° | 179.9° |
| C08 | C09 | C10 | H13 | 0.0° | 0.0° |
| C09 | C08 | H15 | H16 | 118.6° | 120.0° |
| C09 | C08 | C07 | H17 | 45.0° | 60.0° |
| C09 | C08 | C07 | H18 | 74.2° | 60.0° |
| O31 | C29 | O30 | C28 | 118.8° | 118.8° |
| O31 | C29 | O30 | H45 | 124.4° | 122.3° |
| O31 | C29 | O30 | C26 | 158.3° | 159.3° |
| O31 | C29 | C28 | H45 | 123.8° | 122.2° |
| O31 | C29 | C28 | C27 | 139.8° | 143.0° |
| O31 | C29 | C28 | H43 | 100.7° | 24.3° |
| O31 | C29 | C28 | H44 | 20.4° | 98.4° |
| C29 | O31 | C32 | H46 | 64.7° | 60.0° |
| C29 | O31 | C32 | H47 | 175.1° | 60.0° |
| C09 | C10 | C11 | C12 | 12.1° | 125.0° |
| C09 | C10 | C11 | H13 | 180.0° | 180.0° |
| C09 | C10 | C11 | H11 | 132.4° | 5.0° |
| C09 | C10 | C11 | H12 | 108.3° | 115.0° |
| C10 | C09 | C08 | H15 | 9.0° | 115.0° |
| C10 | C09 | C08 | H16 | 110.0° | 4.9° |
| C13 | C12 | C11 | H9 | 120.4° | 120.1° |
| C13 | C12 | C11 | H10 | 120.4° | 120.0° |
| C12 | C13 | C14 | H7 | 120.4° | 120.0° |
| C12 | C13 | C14 | H8 | 120.4° | 119.9° |
| C13 | C12 | C11 | C10 | 151.6° | 180.0° |
| C12 | C13 | C14 | C15 | 152.2° | 180.0° |
| C12 | C13 | C14 | H5 | 31.9° | 60.0° |
| C12 | C13 | C14 | H6 | 87.5° | 60.1° |
| C12 | C13 | H7 | H8 | 118.8° | 120.0° |
| C13 | C12 | H9 | H10 | 118.8° | 120.0° |
| C13 | C12 | C11 | H11 | 31.2° | 59.9° |
| C13 | C12 | C11 | H12 | 88.0° | 60.0° |
| C11 | C12 | C13 | C14 | 83.5° | 180.0° |
| C12 | C11 | C10 | H11 | 120.4° | 120.1° |
| C12 | C11 | C10 | H12 | 120.4° | 120.0° |
| C11 | C12 | C13 | H7 | 36.9° | 60.0° |
| C11 | C12 | C13 | H8 | 156.1° | 60.1° |
| C11 | C12 | H9 | H10 | 118.8° | 120.0° |
| C12 | C11 | H11 | H12 | 118.8° | 120.0° |
| C12 | C11 | C10 | H13 | 167.9° | 55.0° |
| O30 | C29 | C28 | H45 | 117.1° | 118.9° |
| C29 | O30 | C26 | C25 | 165.6° | 159.4° |
| C29 | O30 | C26 | C27 | 40.4° | 40.5° |
| O30 | C29 | C28 | C27 | 20.7° | 24.0° |
| C29 | O30 | C26 | H41 | 74.0° | 78.4° |
| O30 | C29 | C28 | H43 | 140.2° | 94.7° |
| O30 | C29 | C28 | H44 | 98.7° | 142.6° |
| C26 | O30 | C29 | C28 | 39.5° | 40.5° |
| O30 | C26 | C25 | C27 | 120.2° | 115.4° |
| O30 | C26 | C25 | H41 | 122.2° | 122.4° |
| O30 | C26 | C27 | H41 | 117.4° | 119.0° |
| O30 | C26 | C27 | C28 | 29.7° | 23.9° |
| O30 | C26 | C25 | C24 | 72.1° | 178.8° |
| O30 | C26 | C25 | O39 | 167.8° | 61.2° |
| O30 | C26 | C27 | O35 | 90.4° | 94.7° |
| O30 | C26 | C25 | H40 | 49.0° | 58.8° |
| O30 | C26 | C27 | H42 | 149.2° | 142.8° |
| C26 | O30 | C29 | H45 | 77.3° | 78.3° |
| C13 | C14 | C15 | H5 | 120.3° | 120.0° |
| C13 | C14 | C15 | H6 | 120.3° | 120.0° |
| C13 | C14 | C15 | C16 | 126.0° | 180.0° |
| C13 | C14 | C15 | H3 | 5.6° | 60.0° |
| C13 | C14 | C15 | H4 | 113.6° | 60.0° |
| C13 | C14 | H5 | H6 | 119.1° | 120.0° |
| C14 | C13 | H7 | H8 | 118.8° | 120.0° |
| C14 | C13 | C12 | H9 | 36.9° | 59.9° |
| C14 | C13 | C12 | H10 | 156.1° | 60.0° |
| C29 | C28 | C27 | C26 | 2.5° | 0.0° |
| C29 | C28 | C27 | H43 | 119.5° | 118.6° |
| C29 | C28 | C27 | H44 | 119.4° | 118.8° |
| C29 | C28 | C27 | O35 | 119.0° | 118.7° |
| C29 | C28 | C27 | H42 | 118.9° | 118.7° |
| C29 | C28 | H43 | H44 | 121.6° | 122.8° |
| C10 | C11 | C12 | H9 | 88.0° | 59.9° |
| C10 | C11 | C12 | H10 | 31.2° | 60.0° |
| C10 | C11 | H11 | H12 | 118.9° | 119.9° |
| C11 | C10 | C09 | H14 | 0.0° | 0.0° |
| C14 | C15 | C16 | H3 | 120.4° | 120.0° |
| C14 | C15 | C16 | H4 | 120.4° | 120.1° |
| C14 | C15 | C16 | C17 | 128.2° | 180.0° |
| C14 | C15 | C16 | H1 | 7.8° | 59.9° |
| C14 | C15 | C16 | H2 | 111.4° | 60.0° |
| C14 | C15 | H3 | H4 | 118.8° | 120.1° |
| C15 | C14 | H5 | H6 | 119.1° | 120.0° |
| C15 | C14 | C13 | H7 | 87.4° | 60.0° |
| C15 | C14 | C13 | H8 | 31.8° | 60.1° |
| C15 | C16 | C17 | H1 | 120.4° | 120.0° |
| C15 | C16 | C17 | H2 | 120.4° | 120.0° |
| C15 | C16 | C17 | C18 | 44.8° | 180.0° |
| C15 | C16 | H1 | H2 | 118.7° | 120.0° |
| C16 | C15 | H3 | H4 | 118.8° | 119.9° |
| C16 | C15 | C14 | H5 | 113.7° | 60.0° |
| C16 | C15 | C14 | H6 | 5.7° | 60.0° |
| C15 | C16 | C17 | H32 | 165.2° | 60.0° |
| C15 | C16 | C17 | H33 | 75.6° | 60.0° |
| C25 | C26 | C27 | H41 | 118.3° | 122.2° |
| C25 | C26 | C27 | C28 | 154.1° | 142.8° |
| C26 | C25 | C24 | O39 | 119.6° | 120.0° |
| C26 | C25 | C24 | H40 | 121.2° | 119.9° |
| C26 | C25 | O39 | H40 | 117.7° | 120.0° |
| C26 | C25 | C24 | O23 | 176.5° | 174.9° |
| C25 | C26 | C27 | O35 | 34.0° | 24.2° |
| C26 | C25 | O39 | C40 | 149.4° | 95.1° |
| C26 | C25 | C24 | H38 | 56.7° | 55.0° |
| C26 | C25 | C24 | H39 | 63.6° | 65.0° |
| C25 | C26 | C27 | H42 | 86.5° | 98.4° |
| C26 | C27 | C28 | O35 | 121.4° | 118.6° |
| C26 | C27 | C28 | H42 | 116.4° | 118.7° |
| C27 | C26 | C25 | C24 | 48.1° | 63.3° |
| C27 | C26 | C25 | O39 | 72.0° | 176.6° |
| C26 | C27 | O35 | H42 | 118.7° | 122.6° |
| C26 | C27 | O35 | C36 | 173.6° | 155.2° |
| C27 | C26 | C25 | H40 | 169.3° | 56.6° |
| C26 | C27 | C28 | H43 | 117.0° | 118.6° |
| C26 | C27 | C28 | H44 | 121.9° | 118.8° |
| C28 | C27 | O35 | H42 | 123.1° | 122.8° |
| C28 | C27 | O35 | C36 | 68.3° | 90.1° |
| C28 | C27 | C26 | H41 | 87.7° | 95.0° |
| C27 | C28 | H43 | H44 | 121.6° | 122.6° |
| C27 | C28 | C29 | H45 | 96.4° | 94.9° |
| C24 | C25 | O39 | H40 | 118.2° | 120.0° |
| C25 | C24 | O23 | H38 | 119.8° | 120.0° |
| C25 | C24 | O23 | H39 | 119.9° | 120.0° |
| C25 | C24 | O23 | C22 | 100.9° | 180.0° |
| C24 | C25 | O39 | C40 | 86.4° | 144.9° |
| C25 | C24 | H38 | H39 | 120.4° | 120.0° |
| C24 | C25 | C26 | H41 | 165.7° | 58.9° |
| O39 | C25 | C24 | O23 | 56.9° | 65.0° |
| C25 | O39 | C40 | C41 | 150.3° | 174.9° |
| O39 | C25 | C24 | H38 | 63.0° | 175.0° |
| O39 | C25 | C24 | H39 | 176.7° | 55.0° |
| O39 | C25 | C26 | H41 | 45.6° | 61.1° |
| C25 | O39 | C40 | H56 | 30.6° | 54.9° |
| C25 | O39 | C40 | H57 | 90.0° | 65.1° |
| C24 | O23 | C22 | C21 | 51.1° | 179.9° |
| C24 | O23 | C22 | H36 | 171.0° | 60.0° |
| C24 | O23 | C22 | H37 | 68.7° | 60.0° |
| O23 | C24 | H38 | H39 | 120.5° | 120.1° |
| O23 | C24 | C25 | H40 | 62.3° | 55.0° |
| O23 | C22 | C21 | O20 | 42.0° | 65.0° |
| O23 | C22 | C21 | H36 | 119.8° | 120.0° |
| O23 | C22 | C21 | H37 | 119.9° | 120.0° |
| O23 | C22 | C21 | H34 | 77.9° | 55.0° |
| O23 | C22 | C21 | H35 | 161.8° | 175.0° |
| O23 | C22 | H36 | H37 | 120.4° | 120.0° |
| C22 | O23 | C24 | H38 | 18.9° | 60.0° |
| C22 | O23 | C24 | H39 | 139.3° | 60.0° |
| C16 | C17 | C18 | O19 | 160.3° | 0.0° |
| C16 | C17 | C18 | H32 | 120.4° | 120.0° |
| C16 | C17 | C18 | H33 | 120.4° | 120.0° |
| C16 | C17 | C18 | O20 | 19.4° | 179.9° |
| C17 | C16 | H1 | H2 | 118.7° | 120.0° |
| C17 | C16 | C15 | H3 | 111.4° | 60.0° |
| C17 | C16 | C15 | H4 | 7.8° | 59.9° |
| C16 | C17 | H32 | H33 | 118.7° | 119.9° |
| C27 | O35 | C36 | C37 | 48.7° | 175.0° |
| O35 | C27 | C26 | H41 | 152.3° | 146.4° |
| O35 | C27 | C28 | H43 | 121.6° | 0.0° |
| O35 | C27 | C28 | H44 | 0.5° | 122.6° |
| C27 | O35 | C36 | H51 | 71.2° | 65.0° |
| C27 | O35 | C36 | H52 | 168.7° | 54.9° |
| O19 | C18 | C17 | O20 | 179.8° | 179.9° |
| O19 | C18 | O20 | C21 | 55.4° | 0.1° |
| O19 | C18 | C17 | H32 | 79.3° | 120.0° |
| O19 | C18 | C17 | H33 | 39.9° | 120.0° |
| C17 | C18 | O20 | C21 | 124.9° | 180.0° |
| C18 | C17 | C16 | H1 | 75.7° | 60.0° |
| C18 | C17 | C16 | H2 | 165.2° | 60.0° |
| C18 | C17 | H32 | H33 | 118.7° | 120.0° |
| C18 | O20 | C21 | C22 | 73.0° | 179.9° |
| O20 | C18 | C17 | H32 | 101.0° | 60.1° |
| O20 | C18 | C17 | H33 | 139.9° | 59.9° |
| C18 | O20 | C21 | H34 | 167.2° | 60.0° |
| C18 | O20 | C21 | H35 | 46.8° | 59.9° |
| O35 | C36 | C37 | H51 | 119.9° | 120.0° |
| O35 | C36 | C37 | H52 | 120.0° | 120.0° |
| O35 | C36 | C37 | O38 | 87.7° | 65.3° |
| C36 | O35 | C27 | H42 | 54.8° | 32.7° |
| O35 | C36 | H51 | H52 | 120.2° | 120.0° |
| O35 | C36 | C37 | H53 | 152.4° | 174.7° |
| O35 | C36 | C37 | H54 | 32.2° | 54.7° |
| O20 | C21 | C22 | H34 | 119.8° | 120.0° |
| O20 | C21 | C22 | H35 | 119.9° | 120.0° |
| O20 | C21 | H34 | H35 | 120.4° | 119.9° |
| O20 | C21 | C22 | H36 | 77.9° | 175.0° |
| O20 | C21 | C22 | H37 | 161.8° | 55.0° |
| O39 | C40 | C41 | H56 | 119.7° | 120.0° |
| O39 | C40 | C41 | H57 | 119.8° | 120.0° |
| O39 | C40 | C41 | O42 | 162.0° | 65.3° |
| C40 | O39 | C25 | H40 | 31.7° | 24.9° |
| O39 | C40 | H56 | H57 | 120.8° | 120.0° |
| O39 | C40 | C41 | H58 | 78.2° | 174.6° |
| O39 | C40 | C41 | H59 | 42.2° | 54.6° |
| C40 | C41 | O42 | H58 | 119.8° | 120.0° |
| C40 | C41 | O42 | H59 | 119.8° | 120.0° |
| C41 | C40 | H56 | H57 | 120.7° | 120.0° |
| C40 | C41 | H58 | H59 | 120.6° | 120.0° |
| C40 | C41 | O42 | H60 | 180.0° | 179.9° |
| C22 | C21 | H34 | H35 | 120.4° | 120.0° |
| C21 | C22 | H36 | H37 | 120.4° | 120.0° |
| C36 | C37 | O38 | H53 | 119.9° | 120.0° |
| C36 | C37 | O38 | H54 | 119.9° | 120.0° |
| C37 | C36 | H51 | H52 | 120.1° | 120.0° |
| C36 | C37 | H53 | H54 | 120.4° | 120.0° |
| C36 | C37 | O38 | H55 | 180.0° | 175.0° |
| O38 | C37 | C36 | H51 | 32.2° | 54.7° |
| O38 | C37 | C36 | H52 | 152.3° | 174.7° |
| O38 | C37 | H53 | H54 | 120.4° | 120.0° |
| O42 | C41 | C40 | H56 | 42.3° | 54.7° |
| O42 | C41 | C40 | H57 | 78.2° | 174.7° |
| O42 | C41 | H58 | H59 | 120.5° | 120.0° |
| H1 | C16 | C15 | H3 | 128.2° | 60.1° |
| H1 | C16 | C15 | H4 | 112.6° | 180.0° |
| H1 | C16 | C17 | H32 | 44.8° | 180.0° |
| H1 | C16 | C17 | H33 | 163.9° | 60.0° |
| H2 | C16 | C15 | H3 | 9.0° | 180.0° |
| H2 | C16 | C15 | H4 | 128.3° | 60.1° |
| H2 | C16 | C17 | H32 | 74.4° | 60.1° |
| H2 | C16 | C17 | H33 | 44.8° | 180.0° |
| H3 | C15 | C14 | H5 | 125.9° | 180.0° |
| H3 | C15 | C14 | H6 | 114.7° | 60.0° |
| H4 | C15 | C14 | H5 | 6.7° | 60.0° |
| H4 | C15 | C14 | H6 | 126.1° | 180.0° |
| H5 | C14 | C13 | H7 | 152.3° | 180.0° |
| H5 | C14 | C13 | H8 | 88.5° | 59.9° |
| H6 | C14 | C13 | H7 | 32.9° | 59.9° |
| H6 | C14 | C13 | H8 | 152.1° | 180.0° |
| H7 | C13 | C12 | H9 | 157.3° | 179.9° |
| H7 | C13 | C12 | H10 | 83.5° | 60.0° |
| H8 | C13 | C12 | H9 | 83.5° | 60.0° |
| H8 | C13 | C12 | H10 | 35.7° | 179.9° |
| H9 | C12 | C11 | H11 | 151.6° | 180.0° |
| H9 | C12 | C11 | H12 | 32.4° | 60.0° |
| H10 | C12 | C11 | H11 | 89.2° | 60.0° |
| H10 | C12 | C11 | H12 | 151.6° | 180.0° |
| H11 | C11 | C10 | H13 | 47.6° | 175.0° |
| H12 | C11 | C10 | H13 | 71.7° | 65.0° |
| H13 | C10 | C09 | H14 | 180.0° | 180.0° |
| H14 | C09 | C08 | H15 | 171.0° | 65.0° |
| H14 | C09 | C08 | H16 | 70.0° | 175.0° |
| H15 | C08 | C07 | H17 | 165.5° | 180.0° |
| H15 | C08 | C07 | H18 | 46.3° | 60.0° |
| H16 | C08 | C07 | H17 | 75.5° | 60.0° |
| H16 | C08 | C07 | H18 | 165.3° | NaN° |
| H17 | C07 | C06 | H19 | 47.1° | NaN° |
| H17 | C07 | C06 | H20 | 166.2° | 60.0° |
| H18 | C07 | C06 | H19 | 72.2° | 60.0° |
| H18 | C07 | C06 | H20 | 46.9° | 180.0° |
| H19 | C06 | C05 | H21 | 178.7° | 180.0° |
| H19 | C06 | C05 | H22 | 62.3° | 60.0° |
| H20 | C06 | C05 | H21 | 59.6° | 60.0° |
| H20 | C06 | C05 | H22 | 178.6° | 180.0° |
| H21 | C05 | C04 | H23 | 78.6° | 180.0° |
| H21 | C05 | C04 | H24 | 162.1° | 60.0° |
| H22 | C05 | C04 | H23 | 40.4° | 60.0° |
| H22 | C05 | C04 | H24 | 78.9° | 180.0° |
| H23 | C04 | C03 | H25 | 131.7° | 179.9° |
| H23 | C04 | C03 | H26 | 109.1° | 60.1° |
| H24 | C04 | C03 | H25 | 12.4° | 60.0° |
| H24 | C04 | C03 | H26 | 131.6° | 180.0° |
| H25 | C03 | C02 | H27 | 149.7° | 180.0° |
| H25 | C03 | C02 | H28 | 91.3° | 60.0° |
| H26 | C03 | C02 | H27 | 30.5° | 59.9° |
| H26 | C03 | C02 | H28 | 149.5° | 180.0° |
| H27 | C02 | C01 | H29 | 59.5° | 60.1° |
| H27 | C02 | C01 | H30 | 60.5° | 180.0° |
| H27 | C02 | C01 | H31 | 179.5° | 60.0° |
| H28 | C02 | C01 | H29 | 59.5° | 59.9° |
| H28 | C02 | C01 | H30 | 179.5° | 60.0° |
| H28 | C02 | C01 | H31 | 60.5° | 179.9° |
| H29 | C01 | H30 | H31 | 120.0° | 120.0° |
| H34 | C21 | C22 | H36 | 162.3° | 65.0° |
| H34 | C21 | C22 | H37 | 42.0° | 175.0° |
| H35 | C21 | C22 | H36 | 42.0° | 55.0° |
| H35 | C21 | C22 | H37 | 78.3° | 65.0° |
| H38 | C24 | C25 | H40 | 177.8° | 64.9° |
| H39 | C24 | C25 | H40 | 57.5° | 175.1° |
| H40 | C25 | C26 | H41 | 73.2° | 178.9° |
| H41 | C26 | C27 | H42 | 31.8° | 23.8° |
| H42 | C27 | C28 | H43 | 0.6° | 122.7° |
| H42 | C27 | C28 | H44 | 121.7° | 0.1° |
| H43 | C28 | C29 | H45 | 23.1° | 146.5° |
| H44 | C28 | C29 | H45 | 144.2° | 23.8° |
| H46 | C32 | C33 | H48 | 47.2° | 65.0° |
| H46 | C32 | C33 | H49 | 72.9° | 175.0° |
| H47 | C32 | C33 | H48 | 167.4° | 55.0° |
| H47 | C32 | C33 | H49 | 47.3° | 65.1° |
| H48 | C33 | O34 | H50 | 60.0° | 60.0° |
| H49 | C33 | O34 | H50 | 60.1° | 60.0° |
| H51 | C36 | C37 | H53 | 87.6° | 65.3° |
| H51 | C36 | C37 | H54 | 152.1° | 174.6° |
| H52 | C36 | C37 | H53 | 32.5° | 54.7° |
| H52 | C36 | C37 | H54 | 87.8° | 65.3° |
| H53 | C37 | O38 | H55 | 60.1° | 65.0° |
| H54 | C37 | O38 | H55 | 60.1° | 55.0° |
| H56 | C40 | C41 | H58 | 162.1° | 65.4° |
| H56 | C40 | C41 | H59 | 77.5° | 174.6° |
| H57 | C40 | C41 | H58 | 41.6° | 54.6° |
| H57 | C40 | C41 | H59 | 162.0° | 65.4° |
| H58 | C41 | O42 | H60 | 60.2° | 60.1° |
| H59 | C41 | O42 | H60 | 60.2° | 59.9° |
