QZQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C23 | sing | 1.54Å | 1.52Å | |
| O01 | C24 | sing | 1.43Å | 1.42Å | |
| C06 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.54Å | 1.51Å | |
| C23 | C18 | sing | 1.52Å | 1.55Å | |
| C24 | C26 | sing | 1.50Å | 1.51Å | |
| C26 | C25 | doub | 1.29Å | 1.52Å | |
| C18 | C28 | sing | 1.52Å | 1.51Å | |
| C18 | C17 | sing | 1.52Å | 1.55Å | |
| C25 | C17 | sing | 1.51Å | 1.54Å | |
| C28 | C27 | sing | 1.52Å | 1.51Å | |
| C17 | C33 | sing | 1.54Å | 1.54Å | |
| C17 | C14 | sing | 1.52Å | 1.57Å | |
| C27 | C22 | sing | 1.53Å | 1.50Å | |
| C14 | C22 | sing | 1.52Å | 1.56Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C22 | C35 | sing | 1.54Å | 1.54Å | |
| C22 | C19 | sing | 1.54Å | 1.61Å | |
| C34 | C19 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.51Å | |
| C19 | C3 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C15 | C20 | sing | 1.53Å | 1.49Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.52Å | 1.53Å | |
| C36 | C04 | sing | 1.51Å | 1.48Å | |
| C21 | C01 | sing | 1.53Å | 1.52Å | |
| C21 | C12 | sing | 1.53Å | 1.51Å | |
| C2 | C12 | sing | 1.53Å | 1.54Å | |
| C04 | C01 | sing | 1.51Å | 1.51Å | |
| C04 | C37 | doub | 1.31Å | 1.34Å | |
| C01 | C07 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C12 | C02 | sing | 1.55Å | 1.51Å | |
| O16 | C11 | doub | 1.21Å | 1.24Å | |
| C11 | O1 | sing | 1.34Å | 1.22Å | |
| C02 | C07 | sing | 1.54Å | 1.53Å | |
| C01 | H1 | sing | 1.08Å | 1.10Å | |
| C36 | H2 | sing | 1.09Å | 1.10Å | |
| C36 | H3 | sing | 1.09Å | 1.10Å | |
| C36 | H4 | sing | 1.09Å | 1.10Å | |
| C37 | H5 | sing | 1.08Å | 1.08Å | |
| C37 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.10Å | 1.10Å | |
| C3 | H13 | sing | 1.10Å | 1.10Å | |
| C3 | H14 | sing | 1.08Å | 1.10Å | |
| C20 | H15 | sing | 1.10Å | 1.10Å | |
| C21 | H16 | sing | 1.10Å | 1.10Å | |
| C15 | H17 | sing | 1.10Å | 1.10Å | |
| C15 | H18 | sing | 1.08Å | 1.10Å | |
| C13 | H19 | sing | 1.08Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.11Å | 1.10Å | |
| C18 | H22 | sing | 1.13Å | 1.10Å | |
| C05 | H23 | sing | 1.09Å | 1.10Å | |
| C05 | H24 | sing | 1.09Å | 1.10Å | |
| C05 | H25 | sing | 1.09Å | 1.10Å | |
| C06 | H26 | sing | 1.09Å | 1.10Å | |
| C06 | H27 | sing | 1.09Å | 1.10Å | |
| C06 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| O01 | H30 | sing | 0.97Å | 0.95Å | |
| C26 | H31 | sing | 1.08Å | 1.08Å | |
| C25 | H32 | sing | 1.08Å | 1.08Å | |
| C28 | H33 | sing | 1.10Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.10Å | 1.10Å | |
| C27 | H36 | sing | 1.08Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C35 | H39 | sing | 1.09Å | 1.10Å | |
| C33 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| C34 | H45 | sing | 1.09Å | 1.10Å | |
| O1 | H46 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C23 | C06 | 107.2° | 108.6° |
| C05 | C23 | C24 | 110.2° | 107.1° |
| C05 | C23 | C18 | 106.3° | 110.6° |
| C23 | C05 | H23 | 109.5° | 109.4° |
| C23 | C05 | H24 | 109.4° | 109.4° |
| C23 | C05 | H25 | 109.5° | 109.5° |
| O01 | C24 | C23 | 113.3° | 109.4° |
| O01 | C24 | C26 | 109.2° | 109.8° |
| O01 | C24 | H29 | 107.2° | 109.7° |
| C24 | O01 | H30 | 109.5° | 114.0° |
| C06 | C23 | C24 | 106.5° | 109.0° |
| C06 | C23 | C18 | 114.8° | 113.1° |
| C23 | C06 | H26 | 109.5° | 109.5° |
| C23 | C06 | H27 | 109.5° | 109.6° |
| C23 | C06 | H28 | 109.5° | 109.5° |
| C24 | C23 | C18 | 111.8° | 108.3° |
| C23 | C24 | C26 | 114.3° | 109.5° |
| C23 | C24 | H29 | 106.1° | 108.9° |
| C23 | C18 | C28 | 113.0° | 114.6° |
| C23 | C18 | C17 | 121.3° | 114.4° |
| C23 | C18 | H22 | 101.7° | 104.6° |
| C24 | C26 | C25 | 117.0° | 122.2° |
| C26 | C24 | H29 | 106.2° | 109.5° |
| C24 | C26 | H31 | 121.5° | 118.7° |
| C26 | C25 | C17 | 119.7° | 125.3° |
| C25 | C26 | H31 | 121.5° | 119.1° |
| C26 | C25 | H32 | 120.2° | 117.6° |
| C28 | C18 | C17 | 113.4° | 113.5° |
| C18 | C28 | C27 | 121.1° | 113.4° |
| C28 | C18 | H22 | 102.0° | 103.9° |
| C18 | C28 | H33 | 106.5° | 108.7° |
| C18 | C28 | H34 | 106.5° | 111.2° |
| C18 | C17 | C25 | 110.5° | 112.0° |
| C18 | C17 | C33 | 108.4° | 108.1° |
| C18 | C17 | C14 | 111.9° | 113.5° |
| C17 | C18 | H22 | 101.8° | 104.2° |
| C25 | C17 | C33 | 104.4° | 105.4° |
| C25 | C17 | C14 | 110.2° | 106.7° |
| C17 | C25 | H32 | 120.1° | 117.1° |
| C28 | C27 | C22 | 118.5° | 110.3° |
| C27 | C28 | H33 | 106.5° | 109.3° |
| C27 | C28 | H34 | 106.5° | 108.6° |
| C28 | C27 | H35 | 107.2° | 108.2° |
| C28 | C27 | H36 | 107.2° | 110.2° |
| C33 | C17 | C14 | 111.1° | 111.0° |
| C17 | C33 | H40 | 109.5° | 109.4° |
| C17 | C33 | H41 | 109.4° | 109.5° |
| C17 | C33 | H42 | 109.5° | 109.5° |
| C17 | C14 | C22 | 123.0° | 116.3° |
| C17 | C14 | C13 | 115.0° | 111.3° |
| C17 | C14 | H21 | 101.7° | 105.1° |
| C27 | C22 | C14 | 108.5° | 110.2° |
| C27 | C22 | C35 | 107.2° | 108.2° |
| C27 | C22 | C19 | 106.5° | 109.6° |
| C22 | C27 | H35 | 107.1° | 108.4° |
| C22 | C27 | H36 | 107.1° | 112.1° |
| C22 | C14 | C13 | 109.5° | 110.2° |
| C14 | C22 | C35 | 112.1° | 111.4° |
| C14 | C22 | C19 | 112.1° | 109.3° |
| C22 | C14 | H21 | 101.8° | 108.2° |
| C14 | C13 | C15 | 104.6° | 108.8° |
| C14 | C13 | H19 | 110.7° | 111.7° |
| C14 | C13 | H20 | 110.7° | 109.5° |
| C13 | C14 | H21 | 102.1° | 105.0° |
| C35 | C22 | C19 | 110.1° | 108.1° |
| C22 | C35 | H37 | 109.5° | 109.5° |
| C22 | C35 | H38 | 109.5° | 109.5° |
| C22 | C35 | H39 | 109.5° | 109.5° |
| C22 | C19 | C34 | 112.8° | 109.1° |
| C22 | C19 | C3 | 115.1° | 110.5° |
| C22 | C19 | C20 | 107.0° | 109.7° |
| C34 | C19 | C3 | 101.7° | 107.2° |
| C34 | C19 | C20 | 111.2° | 109.4° |
| C19 | C34 | H43 | 109.5° | 109.5° |
| C19 | C34 | H44 | 109.5° | 109.5° |
| C19 | C34 | H45 | 109.5° | 109.5° |
| C13 | C15 | C20 | 116.4° | 109.7° |
| C13 | C15 | H17 | 107.7° | 107.9° |
| C13 | C15 | H18 | 107.7° | 109.9° |
| C15 | C13 | H19 | 110.7° | 109.1° |
| C15 | C13 | H20 | 110.6° | 108.5° |
| C3 | C19 | C20 | 109.1° | 110.9° |
| C19 | C3 | C2 | 114.0° | 111.7° |
| C19 | C3 | H13 | 108.3° | 108.2° |
| C19 | C3 | H14 | 108.3° | 111.3° |
| C19 | C20 | C15 | 114.5° | 110.5° |
| C19 | C20 | C21 | 114.3° | 108.5° |
| C19 | C20 | H15 | 102.3° | 109.9° |
| C15 | C20 | C21 | 117.4° | 111.5° |
| C15 | C20 | H15 | 102.7° | 107.3° |
| C20 | C15 | H17 | 107.7° | 109.0° |
| C20 | C15 | H18 | 107.7° | 111.2° |
| C3 | C2 | C12 | 111.0° | 108.8° |
| C3 | C2 | H11 | 109.1° | 110.8° |
| C3 | C2 | H12 | 109.1° | 109.0° |
| C2 | C3 | H13 | 108.3° | 108.1° |
| C2 | C3 | H14 | 108.3° | 109.4° |
| C20 | C21 | C01 | 131.5° | 117.6° |
| C20 | C21 | C12 | 103.4° | 109.0° |
| C21 | C20 | H15 | 102.5° | 109.2° |
| C20 | C21 | H16 | 101.9° | 110.5° |
| C36 | C04 | C01 | 117.4° | 120.0° |
| C36 | C04 | C37 | 117.8° | 120.0° |
| C04 | C36 | H2 | 109.5° | 109.5° |
| C04 | C36 | H3 | 109.5° | 109.5° |
| C04 | C36 | H4 | 109.4° | 109.4° |
| C01 | C21 | C12 | 112.0° | 102.4° |
| C21 | C01 | C04 | 111.6° | 110.2° |
| C21 | C01 | C07 | 98.3° | 105.0° |
| C21 | C01 | H1 | 112.3° | 111.0° |
| C01 | C21 | H16 | 101.9° | 107.4° |
| C21 | C12 | C2 | 103.6° | 108.6° |
| C21 | C12 | C11 | 125.9° | 112.4° |
| C21 | C12 | C02 | 98.3° | 99.8° |
| C12 | C21 | H16 | 102.0° | 109.5° |
| C2 | C12 | C11 | 107.1° | 111.0° |
| C2 | C12 | C02 | 119.9° | 115.7° |
| C12 | C2 | H11 | 109.1° | 110.4° |
| C12 | C2 | H12 | 109.1° | 109.3° |
| C01 | C04 | C37 | 123.5° | 120.0° |
| C04 | C01 | C07 | 109.5° | 109.1° |
| C04 | C01 | H1 | 112.4° | 110.5° |
| C04 | C37 | H5 | 120.0° | 120.0° |
| C04 | C37 | H6 | 120.0° | 120.0° |
| C01 | C07 | C02 | 99.5° | 106.2° |
| C07 | C01 | H1 | 112.1° | 110.9° |
| C01 | C07 | H7 | 111.9° | 109.7° |
| C01 | C07 | H8 | 111.9° | 110.4° |
| C11 | C12 | C02 | 103.3° | 108.9° |
| C12 | C11 | O16 | 125.7° | 120.0° |
| C12 | C11 | O1 | 109.5° | 120.0° |
| C12 | C02 | C07 | 100.8° | 101.5° |
| C12 | C02 | H9 | 111.6° | 110.6° |
| C12 | C02 | H10 | 111.6° | 110.7° |
| O16 | C11 | O1 | 124.8° | 120.0° |
| C11 | O1 | H46 | 109.5° | 117.0° |
| C02 | C07 | H7 | 111.9° | 109.8° |
| C02 | C07 | H8 | 111.9° | 110.7° |
| C07 | C02 | H9 | 111.6° | 111.1° |
| C07 | C02 | H10 | 111.6° | 111.2° |
| H2 | C36 | H3 | 109.4° | 109.5° |
| H2 | C36 | H4 | 109.5° | 109.5° |
| H3 | C36 | H4 | 109.5° | 109.5° |
| H5 | C37 | H6 | 120.0° | 120.0° |
| H7 | C07 | H8 | 109.4° | 110.0° |
| H9 | C02 | H10 | 109.4° | 111.4° |
| H11 | C2 | H12 | 109.5° | 108.4° |
| H13 | C3 | H14 | 109.5° | 108.1° |
| H17 | C15 | H18 | 109.5° | 109.0° |
| H19 | C13 | H20 | 109.5° | 109.2° |
| H23 | C05 | H24 | 109.5° | 109.5° |
| H23 | C05 | H25 | 109.5° | 109.5° |
| H24 | C05 | H25 | 109.5° | 109.5° |
| H26 | C06 | H27 | 109.5° | 109.4° |
| H26 | C06 | H28 | 109.4° | 109.5° |
| H27 | C06 | H28 | 109.5° | 109.5° |
| H33 | C28 | H34 | 109.5° | 105.4° |
| H35 | C27 | H36 | 109.5° | 107.7° |
| H37 | C35 | H38 | 109.4° | 109.5° |
| H37 | C35 | H39 | 109.4° | 109.5° |
| H38 | C35 | H39 | 109.5° | 109.5° |
| H40 | C33 | H41 | 109.5° | 109.5° |
| H40 | C33 | H42 | 109.4° | 109.5° |
| H41 | C33 | H42 | 109.5° | 109.5° |
| H43 | C34 | H44 | 109.5° | 109.5° |
| H43 | C34 | H45 | 109.5° | 109.4° |
| H44 | C34 | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C23 | C24 | O01 | 58.9° | 54.5° |
| C05 | C23 | C06 | C24 | 118.0° | 116.4° |
| C05 | C23 | C06 | C18 | 117.8° | 123.1° |
| C05 | C23 | C24 | C18 | 117.9° | 119.3° |
| C05 | C23 | C24 | C26 | 67.1° | 174.9° |
| C05 | C23 | C18 | C28 | 123.9° | 51.8° |
| C05 | C23 | C18 | C17 | 96.4° | 174.6° |
| C05 | C23 | C18 | H22 | 15.3° | 61.2° |
| C23 | C05 | H23 | H24 | 120.0° | 120.0° |
| C23 | C05 | H23 | H25 | 120.0° | 120.0° |
| C23 | C05 | H24 | H25 | 120.0° | 120.0° |
| C05 | C23 | C06 | H26 | 180.0° | 176.4° |
| C05 | C23 | C06 | H27 | 60.0° | 63.6° |
| C05 | C23 | C06 | H28 | 60.0° | 56.4° |
| C05 | C23 | C24 | H29 | 176.2° | 65.4° |
| O01 | C24 | C23 | C06 | 57.1° | 171.8° |
| O01 | C24 | C23 | C26 | 126.0° | 120.4° |
| O01 | C24 | C23 | H29 | 117.4° | 119.9° |
| O01 | C24 | C23 | C18 | 176.8° | 64.8° |
| O01 | C24 | C26 | H29 | 115.3° | 120.5° |
| O01 | C24 | C26 | C25 | 162.2° | 91.3° |
| O01 | C24 | C26 | H31 | 17.8° | 88.5° |
| C06 | C23 | C24 | C18 | 126.1° | 123.4° |
| C06 | C23 | C24 | C26 | 176.9° | 67.8° |
| C06 | C23 | C18 | C28 | 5.6° | 70.2° |
| C06 | C23 | C18 | C17 | 145.3° | 63.4° |
| C06 | C23 | C18 | H22 | 103.0° | 176.7° |
| C06 | C23 | C05 | H23 | 180.0° | 57.6° |
| C06 | C23 | C05 | H24 | 60.0° | 62.4° |
| C06 | C23 | C05 | H25 | 60.0° | 177.5° |
| C23 | C06 | H26 | H27 | 120.0° | 120.1° |
| C23 | C06 | H26 | H28 | 120.0° | 120.0° |
| C23 | C06 | H27 | H28 | 120.0° | 120.0° |
| C06 | C23 | C24 | H29 | 60.2° | 51.9° |
| C23 | C24 | C26 | H29 | 116.6° | 119.4° |
| C23 | C24 | C26 | C25 | 34.1° | 28.8° |
| C24 | C23 | C18 | C28 | 115.8° | 168.9° |
| C24 | C23 | C18 | C17 | 23.9° | 57.5° |
| C24 | C23 | C18 | H22 | 135.6° | 55.9° |
| C24 | C23 | C05 | H23 | 64.5° | 60.0° |
| C24 | C23 | C05 | H24 | 55.5° | 180.0° |
| C24 | C23 | C05 | H25 | 175.6° | 60.0° |
| C24 | C23 | C06 | H26 | 62.0° | 60.0° |
| C24 | C23 | C06 | H27 | 178.0° | 180.0° |
| C24 | C23 | C06 | H28 | 58.0° | 60.0° |
| C23 | C24 | O01 | H30 | 180.0° | 180.0° |
| C23 | C24 | C26 | H31 | 145.9° | 151.3° |
| C18 | C23 | C24 | C26 | 50.8° | 55.6° |
| C23 | C18 | C28 | C17 | 143.0° | 134.0° |
| C23 | C18 | C28 | H22 | 108.4° | 113.5° |
| C23 | C18 | C17 | H22 | 111.7° | 113.6° |
| C23 | C18 | C17 | C25 | 18.6° | 28.7° |
| C23 | C18 | C28 | C27 | 104.5° | 84.1° |
| C23 | C18 | C17 | C33 | 132.5° | 144.4° |
| C23 | C18 | C17 | C14 | 104.6° | 92.1° |
| C18 | C23 | C05 | H23 | 56.8° | 177.8° |
| C18 | C23 | C05 | H24 | 176.8° | 62.2° |
| C18 | C23 | C05 | H25 | 63.2° | 57.9° |
| C18 | C23 | C06 | H26 | 62.3° | 60.5° |
| C18 | C23 | C06 | H27 | 57.7° | 59.5° |
| C18 | C23 | C06 | H28 | 177.7° | 179.5° |
| C18 | C23 | C24 | H29 | 65.9° | 175.3° |
| C23 | C18 | C28 | H33 | 133.8° | 154.2° |
| C23 | C18 | C28 | H34 | 17.1° | 38.6° |
| C24 | C26 | C25 | H31 | 180.0° | 179.8° |
| C24 | C26 | C25 | C17 | 12.4° | 0.7° |
| C26 | C24 | O01 | H30 | 51.4° | 59.8° |
| C24 | C26 | C25 | H32 | 167.6° | 179.8° |
| C26 | C25 | C17 | C18 | 37.5° | 1.5° |
| C26 | C25 | C17 | H32 | 180.0° | 179.6° |
| C26 | C25 | C17 | C33 | 153.8° | 115.8° |
| C26 | C25 | C17 | C14 | 86.8° | 126.2° |
| C25 | C26 | C24 | H29 | 82.5° | 148.2° |
| C28 | C18 | C17 | H22 | 108.8° | 112.3° |
| C28 | C18 | C17 | C25 | 158.2° | 162.8° |
| C18 | C28 | C27 | H33 | 121.6° | 121.4° |
| C18 | C28 | C27 | H34 | 121.6° | 124.1° |
| C28 | C18 | C17 | C33 | 88.0° | 81.6° |
| C28 | C18 | C17 | C14 | 34.9° | 41.9° |
| C18 | C28 | C27 | C22 | 41.4° | 57.1° |
| C18 | C28 | H33 | H34 | 114.8° | 119.3° |
| C18 | C28 | C27 | H35 | 162.6° | 175.4° |
| C18 | C28 | C27 | H36 | 79.9° | 67.1° |
| C18 | C17 | C25 | C33 | 116.4° | 117.2° |
| C18 | C17 | C25 | C14 | 124.2° | 124.7° |
| C17 | C18 | C28 | C27 | 38.4° | 49.9° |
| C18 | C17 | C33 | C14 | 123.4° | 125.0° |
| C18 | C17 | C14 | C22 | 39.5° | 43.9° |
| C18 | C17 | C14 | C13 | 177.5° | 171.2° |
| C18 | C17 | C14 | H21 | 73.0° | 75.7° |
| C18 | C17 | C25 | H32 | 142.6° | 179.0° |
| C17 | C18 | C28 | H33 | 83.2° | 71.8° |
| C17 | C18 | C28 | H34 | 160.0° | 172.6° |
| C18 | C17 | C33 | H40 | 180.0° | 177.2° |
| C18 | C17 | C33 | H41 | 60.0° | 62.9° |
| C18 | C17 | C33 | H42 | 60.0° | 57.2° |
| C25 | C17 | C33 | C14 | 118.8° | 115.1° |
| C25 | C17 | C14 | C22 | 162.9° | 167.7° |
| C25 | C17 | C14 | C13 | 59.1° | 65.0° |
| C25 | C17 | C14 | H21 | 50.3° | 48.1° |
| C25 | C17 | C18 | H22 | 93.0° | 84.9° |
| C17 | C25 | C26 | H31 | 167.6° | 179.2° |
| C25 | C17 | C33 | H40 | 62.2° | 63.0° |
| C25 | C17 | C33 | H41 | 57.8° | 57.0° |
| C25 | C17 | C33 | H42 | 177.8° | 177.0° |
| C28 | C27 | C22 | H35 | 121.3° | 118.2° |
| C28 | C27 | C22 | H36 | 121.3° | 123.1° |
| C28 | C27 | C22 | C14 | 37.3° | 56.0° |
| C28 | C27 | C22 | C35 | 84.0° | 66.0° |
| C28 | C27 | C22 | C19 | 158.1° | 176.3° |
| C27 | C28 | C18 | H22 | 147.0° | 162.4° |
| C27 | C28 | H33 | H34 | 114.8° | 116.5° |
| C28 | C27 | H35 | H36 | 115.9° | 119.0° |
| C33 | C17 | C14 | C22 | 81.8° | 78.0° |
| C33 | C17 | C14 | C13 | 56.1° | 49.3° |
| C33 | C17 | C14 | H21 | 165.6° | 162.4° |
| C33 | C17 | C18 | H22 | 20.8° | 30.7° |
| C33 | C17 | C25 | H32 | 26.2° | 63.8° |
| C17 | C33 | H40 | H41 | 120.0° | 120.0° |
| C17 | C33 | H40 | H42 | 120.0° | 120.0° |
| C17 | C33 | H41 | H42 | 120.0° | 120.0° |
| C17 | C14 | C22 | C27 | 39.3° | 51.0° |
| C17 | C14 | C22 | C13 | 139.9° | 127.8° |
| C17 | C14 | C22 | H21 | 112.5° | 117.9° |
| C17 | C14 | C13 | H21 | 109.2° | 113.2° |
| C17 | C14 | C22 | C35 | 78.9° | 69.1° |
| C17 | C14 | C22 | C19 | 156.7° | 171.5° |
| C17 | C14 | C13 | C15 | 153.3° | 168.5° |
| C17 | C14 | C13 | H19 | 34.1° | 71.0° |
| C17 | C14 | C13 | H20 | 87.5° | 50.1° |
| C14 | C17 | C18 | H22 | 143.7° | 154.3° |
| C14 | C17 | C25 | H32 | 93.2° | 54.3° |
| C14 | C17 | C33 | H40 | 56.6° | 52.1° |
| C14 | C17 | C33 | H41 | 176.6° | 172.1° |
| C14 | C17 | C33 | H42 | 63.4° | 67.8° |
| C27 | C22 | C14 | C35 | 118.2° | 120.1° |
| C27 | C22 | C14 | C19 | 117.4° | 120.6° |
| C27 | C22 | C14 | C13 | 179.2° | 178.8° |
| C27 | C22 | C35 | C19 | 115.5° | 118.6° |
| C27 | C22 | C19 | C34 | 46.8° | 59.8° |
| C27 | C22 | C19 | C3 | 69.3° | 57.9° |
| C27 | C22 | C19 | C20 | 169.4° | 179.6° |
| C27 | C22 | C14 | H21 | 73.2° | 67.0° |
| C22 | C27 | C28 | H33 | 80.3° | 64.3° |
| C22 | C27 | C28 | H34 | 163.0° | 178.8° |
| C22 | C27 | H35 | H36 | 115.9° | 121.4° |
| C27 | C22 | C35 | H37 | 180.0° | 53.0° |
| C27 | C22 | C35 | H38 | 60.0° | 67.0° |
| C27 | C22 | C35 | H39 | 60.0° | 173.0° |
| C22 | C14 | C13 | H21 | 107.3° | 116.3° |
| C14 | C22 | C35 | C19 | 125.5° | 120.1° |
| C14 | C22 | C19 | C34 | 71.8° | 61.1° |
| C22 | C14 | C13 | C15 | 63.2° | 60.9° |
| C14 | C22 | C19 | C3 | 172.2° | 178.7° |
| C14 | C22 | C19 | C20 | 50.8° | 58.7° |
| C22 | C14 | C13 | H19 | 177.6° | 59.6° |
| C22 | C14 | C13 | H20 | 56.0° | 179.3° |
| C14 | C22 | C27 | H35 | 158.6° | 174.2° |
| C14 | C22 | C27 | H36 | 84.0° | 67.1° |
| C14 | C22 | C35 | H37 | 61.0° | 68.3° |
| C14 | C22 | C35 | H38 | 59.0° | 171.7° |
| C14 | C22 | C35 | H39 | 179.0° | 51.7° |
| C13 | C14 | C22 | C35 | 61.0° | 58.7° |
| C13 | C14 | C22 | C19 | 63.4° | 60.6° |
| C14 | C13 | C15 | H19 | 119.2° | 122.1° |
| C14 | C13 | C15 | H20 | 119.3° | 119.0° |
| C14 | C13 | C15 | C20 | 60.5° | 59.4° |
| C14 | C13 | C15 | H17 | 60.5° | 178.0° |
| C14 | C13 | C15 | H18 | 178.5° | 63.2° |
| C14 | C13 | H19 | H20 | 122.3° | 121.2° |
| C35 | C22 | C19 | C34 | 162.7° | 177.5° |
| C35 | C22 | C19 | C3 | 46.7° | 59.9° |
| C35 | C22 | C19 | C20 | 74.7° | 62.7° |
| C35 | C22 | C14 | H21 | 168.6° | 172.9° |
| C35 | C22 | C27 | H35 | 37.3° | 52.2° |
| C35 | C22 | C27 | H36 | 154.7° | 170.8° |
| C22 | C35 | H37 | H38 | 120.0° | 120.0° |
| C22 | C35 | H37 | H39 | 120.0° | 120.0° |
| C22 | C35 | H38 | H39 | 120.0° | 120.0° |
| C22 | C19 | C34 | C3 | 123.8° | 119.6° |
| C22 | C19 | C34 | C20 | 120.2° | 120.0° |
| C22 | C19 | C3 | C20 | 120.2° | 121.8° |
| C22 | C19 | C20 | C15 | 45.4° | 58.1° |
| C22 | C19 | C3 | C2 | 160.1° | 176.8° |
| C22 | C19 | C20 | C21 | 174.9° | 179.4° |
| C22 | C19 | C3 | H13 | 39.4° | 64.4° |
| C22 | C19 | C3 | H14 | 79.2° | 54.2° |
| C22 | C19 | C20 | H15 | 64.9° | 60.1° |
| C19 | C22 | C14 | H21 | 44.2° | 53.6° |
| C19 | C22 | C27 | H35 | 80.6° | 65.4° |
| C19 | C22 | C27 | H36 | 36.8° | 53.2° |
| C19 | C22 | C35 | H37 | 64.5° | 171.6° |
| C19 | C22 | C35 | H38 | 175.6° | 51.6° |
| C19 | C22 | C35 | H39 | 55.5° | 68.4° |
| C22 | C19 | C34 | H43 | 180.0° | 59.6° |
| C22 | C19 | C34 | H44 | 60.0° | 60.4° |
| C22 | C19 | C34 | H45 | 60.0° | 179.6° |
| C34 | C19 | C3 | C20 | 117.6° | 119.4° |
| C34 | C19 | C20 | C15 | 78.1° | 61.5° |
| C34 | C19 | C3 | C2 | 77.7° | 64.4° |
| C34 | C19 | C20 | C21 | 61.5° | 61.0° |
| C34 | C19 | C3 | H13 | 161.7° | 54.4° |
| C34 | C19 | C3 | H14 | 43.0° | 173.0° |
| C34 | C19 | C20 | H15 | 171.5° | 179.7° |
| C19 | C34 | H43 | H44 | 120.0° | 120.0° |
| C19 | C34 | H43 | H45 | 120.0° | 120.0° |
| C19 | C34 | H44 | H45 | 120.0° | 120.1° |
| C13 | C15 | C20 | C19 | 54.3° | 58.8° |
| C13 | C15 | C20 | H17 | 121.0° | 117.9° |
| C13 | C15 | C20 | H18 | 121.0° | 121.8° |
| C13 | C15 | C20 | C21 | 167.3° | 179.5° |
| C13 | C15 | C20 | H15 | 55.8° | 61.0° |
| C13 | C15 | H17 | H18 | 116.9° | 119.4° |
| C15 | C13 | H19 | H20 | 122.2° | 118.4° |
| C15 | C13 | C14 | H21 | 44.1° | 55.3° |
| C3 | C19 | C20 | C15 | 170.5° | 179.6° |
| C19 | C3 | C2 | H13 | 120.7° | 118.9° |
| C19 | C3 | C2 | H14 | 120.7° | 123.7° |
| C3 | C19 | C20 | C21 | 49.8° | 57.1° |
| C19 | C3 | C2 | C12 | 51.2° | 56.3° |
| C19 | C3 | C2 | H11 | 171.4° | 65.3° |
| C19 | C3 | C2 | H12 | 69.0° | 175.4° |
| C19 | C3 | H13 | H14 | 117.9° | 120.6° |
| C3 | C19 | C20 | H15 | 60.2° | 62.2° |
| C3 | C19 | C34 | H43 | 56.2° | 60.0° |
| C3 | C19 | C34 | H44 | 63.8° | 180.0° |
| C3 | C19 | C34 | H45 | 176.2° | 59.9° |
| C19 | C20 | C15 | C21 | 138.3° | 120.8° |
| C19 | C20 | C15 | H15 | 110.1° | 119.8° |
| C20 | C19 | C3 | C2 | 39.9° | 55.0° |
| C19 | C20 | C21 | H15 | 109.9° | 119.8° |
| C19 | C20 | C21 | C01 | 155.2° | 178.2° |
| C19 | C20 | C21 | C12 | 68.2° | 62.4° |
| C20 | C19 | C3 | H13 | 80.8° | 173.8° |
| C20 | C19 | C3 | H14 | 160.6° | 67.6° |
| C19 | C20 | C21 | H16 | 37.4° | 57.9° |
| C19 | C20 | C15 | H17 | 66.7° | 176.7° |
| C19 | C20 | C15 | H18 | 175.4° | 63.1° |
| C20 | C19 | C34 | H43 | 59.8° | 179.6° |
| C20 | C19 | C34 | H44 | 179.8° | 59.6° |
| C20 | C19 | C34 | H45 | 60.2° | 60.5° |
| C15 | C20 | C21 | H15 | 111.7° | 118.3° |
| C15 | C20 | C21 | C01 | 16.8° | 59.9° |
| C15 | C20 | C21 | C12 | 153.3° | 175.7° |
| C15 | C20 | C21 | H16 | 101.0° | 64.0° |
| C20 | C15 | H17 | H18 | 116.8° | 121.5° |
| C20 | C15 | C13 | H19 | 179.7° | 62.7° |
| C20 | C15 | C13 | H20 | 58.7° | 178.4° |
| C3 | C2 | C12 | C21 | 67.5° | 61.0° |
| C3 | C2 | C12 | H11 | 120.3° | 121.9° |
| C3 | C2 | C12 | H12 | 120.2° | 118.9° |
| C3 | C2 | C12 | C11 | 67.4° | 63.1° |
| C3 | C2 | C12 | C02 | 175.6° | 172.2° |
| C3 | C2 | H11 | H12 | 119.3° | 119.6° |
| C2 | C3 | H13 | H14 | 117.9° | 118.3° |
| C20 | C21 | C01 | C12 | 133.8° | 119.4° |
| C20 | C21 | C01 | H16 | 117.8° | 125.4° |
| C20 | C21 | C12 | H16 | 105.5° | 121.0° |
| C20 | C21 | C12 | C2 | 72.9° | 65.1° |
| C20 | C21 | C01 | C04 | 127.6° | 92.4° |
| C20 | C21 | C01 | C07 | 117.6° | 150.2° |
| C20 | C21 | C12 | C11 | 50.4° | 58.1° |
| C20 | C21 | C12 | C02 | 163.5° | 173.4° |
| C20 | C21 | C01 | H1 | 0.4° | 30.4° |
| C21 | C20 | C15 | H17 | 71.7° | 62.5° |
| C21 | C20 | C15 | H18 | 46.3° | 57.7° |
| C36 | C04 | C01 | C21 | 28.2° | 56.2° |
| C36 | C04 | C01 | C37 | 166.5° | 180.0° |
| C36 | C04 | C01 | C07 | 136.0° | 58.5° |
| C36 | C04 | C01 | H1 | 98.9° | 179.2° |
| C04 | C36 | H2 | H3 | 120.0° | 120.0° |
| C04 | C36 | H2 | H4 | 120.0° | 119.9° |
| C04 | C36 | H3 | H4 | 120.0° | 120.0° |
| C36 | C04 | C37 | H5 | 166.4° | 0.0° |
| C36 | C04 | C37 | H6 | 13.6° | 180.0° |
| C01 | C21 | C12 | H16 | 108.3° | 113.8° |
| C01 | C21 | C12 | C2 | 140.9° | 169.6° |
| C21 | C01 | C04 | C07 | 107.7° | 114.8° |
| C21 | C01 | C04 | H1 | 127.1° | 123.0° |
| C21 | C01 | C04 | C37 | 138.3° | 123.8° |
| C21 | C01 | C07 | H1 | 118.2° | 119.9° |
| C01 | C21 | C12 | C11 | 95.8° | 67.2° |
| C01 | C21 | C12 | C02 | 17.3° | 48.1° |
| C21 | C01 | C07 | C02 | 42.6° | 1.5° |
| C21 | C01 | C07 | H7 | 161.0° | 117.2° |
| C21 | C01 | C07 | H8 | 75.8° | 121.4° |
| C01 | C21 | C20 | H15 | 94.9° | 58.5° |
| C21 | C12 | C2 | C11 | 134.9° | 124.1° |
| C21 | C12 | C2 | C02 | 108.1° | 111.2° |
| C12 | C21 | C01 | C04 | 98.6° | 148.3° |
| C12 | C21 | C01 | C07 | 16.2° | 30.9° |
| C21 | C12 | C11 | C02 | 110.7° | 109.7° |
| C21 | C12 | C11 | O16 | 12.3° | 137.1° |
| C21 | C12 | C11 | O1 | 168.4° | 42.8° |
| C21 | C12 | C02 | C07 | 44.0° | 46.6° |
| C12 | C21 | C01 | H1 | 134.3° | 89.0° |
| C21 | C12 | C02 | H9 | 162.6° | 71.3° |
| C21 | C12 | C02 | H10 | 74.6° | 164.7° |
| C21 | C12 | C2 | H11 | 172.2° | 60.9° |
| C21 | C12 | C2 | H12 | 52.7° | 179.9° |
| C12 | C21 | C20 | H15 | 41.7° | 57.4° |
| C2 | C12 | C11 | C02 | 127.5° | 128.4° |
| C2 | C12 | C11 | O16 | 109.5° | 15.2° |
| C2 | C12 | C11 | O1 | 69.9° | 164.7° |
| C2 | C12 | C02 | C07 | 154.9° | 162.9° |
| C2 | C12 | C02 | H9 | 86.4° | 45.0° |
| C2 | C12 | C02 | H10 | 36.4° | 79.0° |
| C12 | C2 | H11 | H12 | 119.3° | 119.7° |
| C12 | C2 | C3 | H13 | 69.5° | 175.2° |
| C12 | C2 | C3 | H14 | 171.9° | 67.3° |
| C2 | C12 | C21 | H16 | 32.6° | 55.8° |
| C04 | C01 | C07 | H1 | 125.3° | 122.0° |
| C04 | C01 | C07 | C02 | 73.8° | 119.6° |
| C01 | C04 | C36 | H2 | 180.0° | 90.0° |
| C01 | C04 | C36 | H3 | 60.0° | 150.0° |
| C01 | C04 | C36 | H4 | 60.0° | 30.0° |
| C01 | C04 | C37 | H5 | 0.0° | 180.0° |
| C01 | C04 | C37 | H6 | 180.0° | 0.0° |
| C04 | C01 | C07 | H7 | 44.5° | 0.9° |
| C04 | C01 | C07 | H8 | 167.8° | 120.4° |
| C04 | C01 | C21 | H16 | 9.8° | 33.0° |
| C37 | C04 | C01 | C07 | 30.5° | 121.5° |
| C37 | C04 | C01 | H1 | 94.6° | 0.7° |
| C37 | C04 | C36 | H2 | 12.7° | 90.0° |
| C37 | C04 | C36 | H3 | 107.3° | 30.0° |
| C37 | C04 | C36 | H4 | 132.7° | 150.0° |
| C04 | C37 | H5 | H6 | 180.0° | 180.0° |
| C01 | C07 | C02 | C12 | 56.7° | 28.0° |
| C01 | C07 | C02 | H7 | 118.4° | 118.5° |
| C01 | C07 | C02 | H8 | 118.4° | 119.8° |
| C01 | C07 | H7 | H8 | 124.6° | 121.6° |
| C01 | C07 | C02 | H9 | 175.3° | 89.6° |
| C01 | C07 | C02 | H10 | 61.9° | 145.7° |
| C07 | C01 | C21 | H16 | 124.6° | 84.4° |
| C12 | C11 | O16 | O1 | 179.2° | 180.0° |
| C11 | C12 | C02 | C07 | 86.1° | 71.3° |
| C11 | C12 | C02 | H9 | 32.6° | 170.7° |
| C11 | C12 | C02 | H10 | 155.4° | 46.7° |
| C11 | C12 | C2 | H11 | 52.9° | 175.0° |
| C11 | C12 | C2 | H12 | 172.4° | 55.8° |
| C11 | C12 | C21 | H16 | 155.9° | 179.0° |
| C12 | C11 | O1 | H46 | 179.3° | 180.0° |
| C02 | C12 | C11 | O16 | 123.0° | 113.2° |
| C02 | C12 | C11 | O1 | 57.7° | 66.8° |
| C12 | C02 | C07 | H9 | 118.6° | 117.6° |
| C12 | C02 | C07 | H10 | 118.6° | 117.7° |
| C12 | C02 | C07 | H7 | 175.1° | 146.6° |
| C12 | C02 | C07 | H8 | 61.7° | 91.8° |
| C12 | C02 | H9 | H10 | 124.0° | 123.5° |
| C02 | C12 | C2 | H11 | 64.2° | 50.3° |
| C02 | C12 | C2 | H12 | 55.3° | 68.9° |
| C02 | C12 | C21 | H16 | 91.0° | 65.7° |
| O16 | C11 | O1 | H46 | 0.0° | 0.0° |
| C02 | C07 | C01 | H1 | 160.8° | 118.5° |
| C02 | C07 | H7 | H8 | 124.7° | 122.0° |
| C07 | C02 | H9 | H10 | 124.0° | 124.6° |
| H1 | C01 | C07 | H7 | 80.8° | 122.9° |
| H1 | C01 | C07 | H8 | 42.4° | 1.5° |
| H1 | C01 | C21 | H16 | 117.4° | 155.8° |
| H2 | C36 | H3 | H4 | 120.0° | 120.0° |
| H7 | C07 | C02 | H9 | 66.3° | 29.0° |
| H7 | C07 | C02 | H10 | 56.5° | 95.7° |
| H8 | C07 | C02 | H9 | 56.9° | 150.6° |
| H8 | C07 | C02 | H10 | 179.7° | 25.9° |
| H11 | C2 | C3 | H13 | 50.8° | 53.6° |
| H11 | C2 | C3 | H14 | 67.9° | 171.1° |
| H12 | C2 | C3 | H13 | 170.3° | 65.7° |
| H12 | C2 | C3 | H14 | 51.7° | 51.8° |
| H15 | C20 | C21 | H16 | 147.3° | 177.7° |
| H15 | C20 | C15 | H17 | 176.8° | 56.9° |
| H15 | C20 | C15 | H18 | 65.3° | 177.2° |
| H17 | C15 | C13 | H19 | 58.8° | 55.9° |
| H17 | C15 | C13 | H20 | 179.7° | 63.0° |
| H18 | C15 | C13 | H19 | 59.2° | 174.7° |
| H18 | C15 | C13 | H20 | 62.3° | 55.8° |
| H19 | C13 | C14 | H21 | 75.1° | 175.9° |
| H20 | C13 | C14 | H21 | 163.3° | 63.0° |
| H22 | C18 | C28 | H33 | 25.4° | 40.7° |
| H22 | C18 | C28 | H34 | 91.3° | 74.9° |
| H23 | C05 | H24 | H25 | 120.0° | 120.0° |
| H26 | C06 | H27 | H28 | 120.0° | 119.9° |
| H29 | C24 | O01 | H30 | 63.3° | 60.6° |
| H29 | C24 | C26 | H31 | 97.5° | 32.0° |
| H31 | C26 | C25 | H32 | 12.4° | 0.4° |
| H33 | C28 | C27 | H35 | 41.0° | 54.1° |
| H33 | C28 | C27 | H36 | 158.5° | 171.5° |
| H34 | C28 | C27 | H35 | 75.7° | 60.4° |
| H34 | C28 | C27 | H36 | 41.7° | 57.0° |
| H37 | C35 | H38 | H39 | 120.0° | 120.0° |
| H40 | C33 | H41 | H42 | 120.0° | 120.0° |
| H43 | C34 | H44 | H45 | 120.0° | 119.9° |
