YW2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C02 | doub | 1.31Å | 1.35Å | |
| C02 | C03 | sing | 1.51Å | 1.54Å | |
| C02 | C01 | sing | 1.51Å | 1.54Å | |
| O01 | C01 | sing | 1.43Å | 1.44Å | |
| C03 | O02 | sing | 1.43Å | 1.44Å | |
| C03 | C04 | sing | 1.53Å | 1.57Å | |
| C01 | C10 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.51Å | 1.55Å | |
| C10 | C05 | sing | 1.51Å | 1.58Å | |
| C05 | C06 | doub | 1.33Å | 1.32Å | |
| C06 | C07 | sing | 1.47Å | 1.42Å | |
| C07 | C08 | doub | 1.33Å | 1.32Å | |
| C08 | C14 | sing | 1.50Å | 1.56Å | |
| C08 | C09 | sing | 1.52Å | 1.55Å | |
| C15 | C14 | sing | 1.52Å | 1.55Å | |
| C15 | C16 | sing | 1.55Å | 1.52Å | |
| C18 | C13 | sing | 1.53Å | 1.61Å | |
| C14 | C13 | sing | 1.56Å | 1.57Å | |
| C09 | C11 | sing | 1.53Å | 1.56Å | |
| C36 | C35 | sing | 1.53Å | 1.58Å | |
| C36 | C31 | sing | 1.53Å | 1.59Å | |
| C16 | C17 | sing | 1.56Å | 1.56Å | |
| C13 | C17 | sing | 1.53Å | 1.59Å | |
| C13 | C12 | sing | 1.51Å | 1.57Å | |
| C35 | C37 | sing | 1.53Å | 1.58Å | |
| C35 | C38 | sing | 1.53Å | 1.59Å | |
| C37 | C29 | sing | 1.53Å | 1.62Å | |
| C11 | C12 | sing | 1.54Å | 1.57Å | |
| C17 | C20 | sing | 1.47Å | 1.46Å | |
| C31 | C30 | sing | 1.53Å | 1.58Å | |
| C31 | C32 | sing | 1.53Å | 1.59Å | |
| C30 | C29 | sing | 1.53Å | 1.61Å | |
| C20 | C22 | trip | 1.17Å | 1.19Å | |
| C29 | C25 | sing | 1.53Å | 1.58Å | |
| C29 | C34 | sing | 1.53Å | 1.62Å | |
| C38 | C33 | sing | 1.53Å | 1.59Å | |
| C25 | C24 | sing | 1.47Å | 1.46Å | |
| C25 | O03 | sing | 1.43Å | 1.43Å | |
| C22 | C23 | sing | 1.38Å | 1.51Å | |
| C24 | C23 | trip | 1.17Å | 1.18Å | |
| C32 | C33 | sing | 1.53Å | 1.59Å | |
| C33 | C34 | sing | 1.53Å | 1.58Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| O03 | H2 | sing | 0.97Å | 0.95Å | |
| C25 | H3 | sing | 1.09Å | 1.10Å | |
| C35 | H4 | sing | 1.09Å | 1.10Å | |
| C38 | H5 | sing | 1.09Å | 1.10Å | |
| C38 | H6 | sing | 1.09Å | 1.10Å | |
| C36 | H7 | sing | 1.09Å | 1.10Å | |
| C36 | H8 | sing | 1.09Å | 1.10Å | |
| C37 | H9 | sing | 1.09Å | 1.10Å | |
| C37 | H10 | sing | 1.09Å | 1.10Å | |
| C34 | H11 | sing | 1.09Å | 1.10Å | |
| C34 | H12 | sing | 1.09Å | 1.10Å | |
| C33 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C09 | H28 | sing | 1.09Å | 1.10Å | |
| C09 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C07 | H33 | sing | 1.08Å | 1.08Å | |
| C06 | H34 | sing | 1.08Å | 1.08Å | |
| C04 | H35 | sing | 1.09Å | 1.10Å | |
| C04 | H36 | sing | 1.09Å | 1.10Å | |
| C03 | H37 | sing | 1.09Å | 1.10Å | |
| C01 | H38 | sing | 1.09Å | 1.10Å | |
| C10 | H39 | sing | 1.09Å | 1.10Å | |
| C10 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.08Å | 1.08Å | |
| C28 | H42 | sing | 1.08Å | 1.08Å | |
| O01 | H43 | sing | 0.97Å | 0.95Å | |
| O02 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C02 | C03 | 122.5° | 120.6° |
| C28 | C02 | C01 | 125.3° | 120.6° |
| C02 | C28 | H41 | 120.0° | 120.0° |
| C02 | C28 | H42 | 120.0° | 120.0° |
| C03 | C02 | C01 | 112.1° | 118.9° |
| C02 | C03 | O02 | 109.6° | 109.6° |
| C02 | C03 | C04 | 110.3° | 108.6° |
| C02 | C03 | H37 | 109.2° | 109.8° |
| C02 | C01 | O01 | 113.7° | 109.6° |
| C02 | C01 | C10 | 109.9° | 108.6° |
| C02 | C01 | H38 | 108.4° | 109.6° |
| O01 | C01 | C10 | 106.5° | 109.7° |
| O01 | C01 | H38 | 109.7° | 109.8° |
| C01 | O01 | H43 | 109.5° | 114.0° |
| O02 | C03 | C04 | 108.3° | 109.6° |
| O02 | C03 | H37 | 110.6° | 109.6° |
| C03 | O02 | H44 | 109.5° | 114.0° |
| C03 | C04 | C05 | 112.2° | 108.6° |
| C03 | C04 | H35 | 108.8° | 109.6° |
| C03 | C04 | H36 | 108.8° | 109.7° |
| C04 | C03 | H37 | 108.8° | 109.6° |
| C01 | C10 | C05 | 115.4° | 108.8° |
| C10 | C01 | H38 | 108.5° | 109.5° |
| C01 | C10 | H39 | 108.0° | 109.6° |
| C01 | C10 | H40 | 108.0° | 109.6° |
| C04 | C05 | C10 | 114.7° | 118.8° |
| C04 | C05 | C06 | 119.2° | 120.6° |
| C05 | C04 | H35 | 108.8° | 109.7° |
| C05 | C04 | H36 | 108.8° | 109.6° |
| C10 | C05 | C06 | 125.9° | 120.6° |
| C05 | C10 | H39 | 108.0° | 109.7° |
| C05 | C10 | H40 | 108.0° | 109.3° |
| C05 | C06 | C07 | 124.7° | 120.0° |
| C05 | C06 | H34 | 117.7° | 120.0° |
| C06 | C07 | C08 | 129.7° | 120.0° |
| C06 | C07 | H33 | 115.1° | 120.0° |
| C07 | C06 | H34 | 117.6° | 120.0° |
| C07 | C08 | C14 | 122.6° | 122.4° |
| C07 | C08 | C09 | 126.3° | 122.0° |
| C08 | C07 | H33 | 115.1° | 120.0° |
| C14 | C08 | C09 | 111.1° | 115.6° |
| C08 | C14 | C15 | 122.5° | 117.9° |
| C08 | C14 | C13 | 110.5° | 105.9° |
| C08 | C14 | H19 | 107.1° | 109.9° |
| C08 | C09 | C11 | 112.0° | 110.7° |
| C08 | C09 | H28 | 108.8° | 109.4° |
| C08 | C09 | H29 | 108.9° | 109.0° |
| C14 | C15 | C16 | 102.4° | 105.2° |
| C15 | C14 | C13 | 101.5° | 102.9° |
| C15 | C14 | H19 | 107.3° | 109.9° |
| C14 | C15 | H20 | 111.2° | 110.3° |
| C14 | C15 | H21 | 111.2° | 110.2° |
| C15 | C16 | C17 | 105.8° | 106.2° |
| C16 | C15 | H20 | 111.2° | 110.5° |
| C16 | C15 | H21 | 111.2° | 110.2° |
| C15 | C16 | H22 | 110.4° | 110.1° |
| C15 | C16 | H23 | 110.4° | 110.0° |
| C18 | C13 | C14 | 113.9° | 110.6° |
| C18 | C13 | C17 | 113.7° | 110.0° |
| C18 | C13 | C12 | 109.4° | 109.9° |
| C13 | C18 | H30 | 109.5° | 109.5° |
| C13 | C18 | H31 | 109.5° | 109.5° |
| C13 | C18 | H32 | 109.5° | 109.4° |
| C14 | C13 | C17 | 97.4° | 101.5° |
| C14 | C13 | C12 | 108.3° | 107.1° |
| C13 | C14 | H19 | 107.1° | 109.9° |
| C09 | C11 | C12 | 114.1° | 111.9° |
| C09 | C11 | H26 | 108.3° | 109.0° |
| C09 | C11 | H27 | 108.3° | 108.9° |
| C11 | C09 | H28 | 108.8° | 109.2° |
| C11 | C09 | H29 | 108.8° | 109.3° |
| C35 | C36 | C31 | 110.7° | 109.5° |
| C36 | C35 | C37 | 108.6° | 109.5° |
| C36 | C35 | C38 | 108.9° | 109.4° |
| C36 | C35 | H4 | 109.9° | 109.5° |
| C35 | C36 | H7 | 109.2° | 109.4° |
| C35 | C36 | H8 | 109.2° | 109.4° |
| C36 | C31 | C30 | 109.5° | 109.5° |
| C36 | C31 | C32 | 109.1° | 109.5° |
| C31 | C36 | H7 | 109.2° | 109.5° |
| C31 | C36 | H8 | 109.2° | 109.5° |
| C36 | C31 | H16 | 109.7° | 109.5° |
| C16 | C17 | C13 | 105.8° | 102.8° |
| C16 | C17 | C20 | 111.7° | 110.7° |
| C16 | C17 | H1 | 107.1° | 110.8° |
| C17 | C16 | H22 | 110.4° | 110.3° |
| C17 | C16 | H23 | 110.4° | 110.0° |
| C17 | C13 | C12 | 113.8° | 117.4° |
| C13 | C17 | C20 | 116.8° | 110.7° |
| C13 | C17 | H1 | 106.8° | 110.8° |
| C13 | C12 | C11 | 114.1° | 107.5° |
| C13 | C12 | H24 | 108.3° | 109.9° |
| C13 | C12 | H25 | 108.3° | 109.9° |
| C37 | C35 | C38 | 109.6° | 109.5° |
| C35 | C37 | C29 | 111.5° | 109.5° |
| C37 | C35 | H4 | 110.0° | 109.5° |
| C35 | C37 | H9 | 109.0° | 109.5° |
| C35 | C37 | H10 | 109.0° | 109.5° |
| C35 | C38 | C33 | 110.8° | 109.4° |
| C38 | C35 | H4 | 109.8° | 109.5° |
| C35 | C38 | H5 | 109.1° | 109.4° |
| C35 | C38 | H6 | 109.1° | 109.5° |
| C37 | C29 | C30 | 106.7° | 109.4° |
| C37 | C29 | C25 | 112.4° | 109.4° |
| C37 | C29 | C34 | 108.6° | 109.5° |
| C29 | C37 | H9 | 109.0° | 109.4° |
| C29 | C37 | H10 | 108.9° | 109.5° |
| C11 | C12 | H24 | 108.3° | 109.8° |
| C11 | C12 | H25 | 108.3° | 109.9° |
| C12 | C11 | H26 | 108.3° | 109.0° |
| C12 | C11 | H27 | 108.3° | 109.0° |
| C17 | C20 | C22 | 174.5° | 180.0° |
| C20 | C17 | H1 | 108.3° | 110.7° |
| C30 | C31 | C32 | 109.1° | 109.4° |
| C31 | C30 | C29 | 111.2° | 109.5° |
| C30 | C31 | H16 | 109.8° | 109.5° |
| C31 | C30 | H17 | 109.0° | 109.5° |
| C31 | C30 | H18 | 109.0° | 109.5° |
| C31 | C32 | C33 | 110.5° | 109.5° |
| C31 | C32 | H14 | 109.2° | 109.5° |
| C31 | C32 | H15 | 109.2° | 109.5° |
| C32 | C31 | H16 | 109.7° | 109.4° |
| C30 | C29 | C25 | 109.7° | 109.5° |
| C30 | C29 | C34 | 107.2° | 109.5° |
| C29 | C30 | H17 | 109.1° | 109.4° |
| C29 | C30 | H18 | 109.0° | 109.5° |
| C20 | C22 | C23 | 172.6° | 180.0° |
| C25 | C29 | C34 | 112.0° | 109.5° |
| C29 | C25 | C24 | 114.1° | 109.4° |
| C29 | C25 | O03 | 110.0° | 109.5° |
| C29 | C25 | H3 | 107.4° | 109.5° |
| C29 | C34 | C33 | 111.4° | 109.5° |
| C29 | C34 | H11 | 109.0° | 109.4° |
| C29 | C34 | H12 | 109.0° | 109.4° |
| C38 | C33 | C32 | 109.5° | 109.5° |
| C38 | C33 | C34 | 109.1° | 109.5° |
| C33 | C38 | H5 | 109.1° | 109.5° |
| C33 | C38 | H6 | 109.1° | 109.5° |
| C38 | C33 | H13 | 109.9° | 109.4° |
| C24 | C25 | O03 | 107.2° | 109.4° |
| C25 | C24 | C23 | 174.1° | 179.9° |
| C24 | C25 | H3 | 108.8° | 109.5° |
| C25 | O03 | H2 | 109.5° | 114.0° |
| O03 | C25 | H3 | 109.2° | 109.5° |
| C22 | C23 | C24 | 172.3° | 179.9° |
| C32 | C33 | C34 | 108.4° | 109.5° |
| C32 | C33 | H13 | 109.9° | 109.5° |
| C33 | C32 | H14 | 109.2° | 109.5° |
| C33 | C32 | H15 | 109.2° | 109.5° |
| C33 | C34 | H11 | 109.0° | 109.5° |
| C33 | C34 | H12 | 109.0° | 109.5° |
| C34 | C33 | H13 | 110.1° | 109.5° |
| H5 | C38 | H6 | 109.5° | 109.5° |
| H7 | C36 | H8 | 109.5° | 109.4° |
| H9 | C37 | H10 | 109.5° | 109.5° |
| H11 | C34 | H12 | 109.5° | 109.5° |
| H14 | C32 | H15 | 109.5° | 109.4° |
| H17 | C30 | H18 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 110.4° |
| H22 | C16 | H23 | 109.5° | 110.2° |
| H24 | C12 | H25 | 109.4° | 109.8° |
| H26 | C11 | H27 | 109.5° | 108.9° |
| H28 | C09 | H29 | 109.5° | 109.3° |
| H30 | C18 | H31 | 109.4° | 109.4° |
| H30 | C18 | H32 | 109.4° | 109.5° |
| H31 | C18 | H32 | 109.5° | 109.5° |
| H35 | C04 | H36 | 109.5° | 109.6° |
| H39 | C10 | H40 | 109.5° | 109.8° |
| H41 | C28 | H42 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C02 | C03 | C01 | 176.3° | 180.0° |
| C28 | C02 | C01 | O01 | 1.8° | 5.0° |
| C28 | C02 | C03 | O02 | 125.6° | 115.6° |
| C28 | C02 | C03 | C04 | 115.2° | 124.7° |
| C28 | C02 | C01 | C10 | 117.4° | 124.8° |
| C28 | C02 | C03 | H37 | 4.3° | 4.9° |
| C28 | C02 | C01 | H38 | 124.1° | 115.6° |
| C02 | C28 | H41 | H42 | 180.0° | 179.9° |
| C03 | C02 | C01 | O01 | 178.0° | 175.0° |
| C02 | C03 | O02 | C04 | 120.4° | 119.1° |
| C02 | C03 | O02 | H37 | 120.4° | 120.5° |
| C02 | C03 | C04 | H37 | 119.7° | 119.9° |
| C03 | C02 | C01 | C10 | 58.7° | 55.1° |
| C02 | C03 | C04 | C05 | 52.2° | 49.5° |
| C02 | C03 | C04 | H35 | 172.6° | 70.3° |
| C02 | C03 | C04 | H36 | 68.2° | 169.3° |
| C03 | C02 | C01 | H38 | 59.7° | 64.5° |
| C03 | C02 | C28 | H41 | 175.8° | 0.0° |
| C03 | C02 | C28 | H42 | 4.2° | 180.0° |
| C02 | C03 | O02 | H44 | 180.0° | 60.9° |
| C02 | C01 | O01 | C10 | 121.2° | 119.2° |
| C02 | C01 | O01 | H38 | 121.6° | 120.4° |
| C01 | C02 | C03 | O02 | 58.1° | 64.4° |
| C01 | C02 | C03 | C04 | 61.1° | 55.3° |
| C02 | C01 | C10 | H38 | 118.4° | 119.6° |
| C02 | C01 | C10 | C05 | 48.7° | 49.2° |
| C01 | C02 | C03 | H37 | 179.4° | 175.1° |
| C02 | C01 | C10 | H39 | 72.2° | 169.2° |
| C02 | C01 | C10 | H40 | 169.6° | 70.3° |
| C01 | C02 | C28 | H41 | 0.0° | 179.9° |
| C01 | C02 | C28 | H42 | 180.0° | 0.0° |
| C02 | C01 | O01 | H43 | 180.0° | 60.0° |
| O01 | C01 | C10 | H38 | 118.0° | 120.6° |
| O01 | C01 | C10 | C05 | 172.3° | 169.0° |
| O01 | C01 | C10 | H39 | 51.5° | 71.0° |
| O01 | C01 | C10 | H40 | 66.8° | 49.5° |
| O02 | C03 | C04 | H37 | 120.3° | 120.4° |
| O02 | C03 | C04 | C05 | 67.9° | 70.2° |
| O02 | C03 | C04 | H35 | 52.5° | 170.0° |
| O02 | C03 | C04 | H36 | 171.7° | 49.6° |
| C03 | C04 | C05 | H35 | 120.4° | 119.7° |
| C03 | C04 | C05 | H36 | 120.4° | 119.9° |
| C03 | C04 | C05 | C10 | 43.2° | 55.1° |
| C03 | C04 | C05 | C06 | 141.8° | 124.7° |
| C03 | C04 | H35 | H36 | 118.8° | 120.5° |
| C04 | C03 | O02 | H44 | 59.6° | 180.0° |
| C01 | C10 | C05 | C04 | 42.5° | 55.0° |
| C01 | C10 | C05 | H39 | 120.9° | 119.9° |
| C01 | C10 | C05 | H40 | 120.9° | 119.7° |
| C01 | C10 | C05 | C06 | 142.9° | 124.8° |
| C01 | C10 | H39 | H40 | 117.3° | 120.4° |
| C10 | C01 | O01 | H43 | 58.8° | 179.2° |
| C04 | C05 | C10 | C06 | 174.6° | 179.8° |
| C04 | C05 | C06 | C07 | 175.4° | 173.4° |
| C04 | C05 | C06 | H34 | 4.6° | 6.7° |
| C05 | C04 | H35 | H36 | 118.8° | 120.4° |
| C05 | C04 | C03 | H37 | 171.9° | 169.4° |
| C04 | C05 | C10 | H39 | 78.3° | 174.9° |
| C04 | C05 | C10 | H40 | 163.4° | 64.6° |
| C10 | C05 | C06 | C07 | 10.2° | 6.8° |
| C10 | C05 | C06 | H34 | 169.8° | 173.1° |
| C10 | C05 | C04 | H35 | 163.6° | 64.6° |
| C10 | C05 | C04 | H36 | 77.2° | 174.9° |
| C05 | C10 | C01 | H38 | 69.6° | 70.4° |
| C05 | C10 | H39 | H40 | 117.3° | 120.1° |
| C05 | C06 | C07 | H34 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 163.5° | 174.9° |
| C05 | C06 | C07 | H33 | 16.5° | 5.1° |
| C06 | C05 | C04 | H35 | 21.4° | 115.5° |
| C06 | C05 | C04 | H36 | 97.7° | 4.9° |
| C06 | C05 | C10 | H39 | 96.3° | 4.9° |
| C06 | C05 | C10 | H40 | 22.0° | 115.5° |
| C06 | C07 | C08 | H33 | 180.0° | 180.0° |
| C06 | C07 | C08 | C14 | 173.3° | 173.8° |
| C06 | C07 | C08 | C09 | 8.5° | 6.5° |
| C07 | C08 | C14 | C09 | 178.5° | 179.7° |
| C07 | C08 | C14 | C15 | 3.2° | 7.5° |
| C07 | C08 | C14 | C13 | 116.1° | 121.9° |
| C07 | C08 | C09 | C11 | 124.9° | 130.2° |
| C07 | C08 | C14 | H19 | 127.6° | 119.4° |
| C07 | C08 | C09 | H28 | 114.8° | 9.8° |
| C07 | C08 | C09 | H29 | 4.5° | 109.6° |
| C08 | C07 | C06 | H34 | 16.5° | 5.1° |
| C08 | C14 | C15 | C13 | 123.6° | 116.1° |
| C08 | C14 | C15 | H19 | 124.3° | 126.9° |
| C08 | C14 | C15 | C16 | 171.3° | 146.6° |
| C08 | C14 | C13 | C18 | 61.6° | 53.5° |
| C08 | C14 | C13 | H19 | 116.3° | 118.7° |
| C14 | C08 | C09 | C11 | 53.6° | 49.5° |
| C08 | C14 | C13 | C17 | 178.4° | 170.1° |
| C08 | C14 | C13 | C12 | 60.3° | 66.3° |
| C08 | C14 | C15 | H20 | 52.5° | 27.5° |
| C08 | C14 | C15 | H21 | 69.8° | 94.7° |
| C14 | C08 | C09 | H28 | 66.8° | 169.9° |
| C14 | C08 | C09 | H29 | 173.9° | 70.7° |
| C14 | C08 | C07 | H33 | 6.7° | 6.2° |
| C09 | C08 | C14 | C15 | 178.3° | 172.2° |
| C09 | C08 | C14 | C13 | 62.3° | 57.8° |
| C08 | C09 | C11 | H28 | 120.4° | 120.5° |
| C08 | C09 | C11 | H29 | 120.4° | 120.0° |
| C08 | C09 | C11 | C12 | 45.7° | 48.4° |
| C09 | C08 | C14 | H19 | 53.9° | 60.9° |
| C08 | C09 | C11 | H26 | 166.4° | 72.3° |
| C08 | C09 | C11 | H27 | 75.0° | 169.0° |
| C08 | C09 | H28 | H29 | 118.9° | 119.2° |
| C09 | C08 | C07 | H33 | 171.5° | 173.4° |
| C14 | C15 | C16 | H20 | 118.8° | 119.0° |
| C14 | C15 | C16 | H21 | 118.8° | 118.8° |
| C15 | C14 | C13 | C18 | 69.8° | 70.9° |
| C15 | C14 | C13 | H19 | 112.3° | 117.0° |
| C14 | C15 | C16 | C17 | 24.5° | 4.4° |
| C15 | C14 | C13 | C17 | 50.2° | 45.7° |
| C15 | C14 | C13 | C12 | 168.3° | 169.3° |
| C14 | C15 | H20 | H21 | 123.3° | 122.1° |
| C14 | C15 | C16 | H22 | 143.9° | 115.0° |
| C14 | C15 | C16 | H23 | 94.9° | 123.4° |
| C16 | C15 | C14 | C13 | 47.8° | 30.5° |
| C15 | C16 | C17 | H22 | 119.4° | 119.3° |
| C15 | C16 | C17 | H23 | 119.4° | 119.0° |
| C15 | C16 | C17 | C13 | 7.1° | 23.8° |
| C15 | C16 | C17 | C20 | 135.2° | 142.1° |
| C15 | C16 | C17 | H1 | 106.5° | 94.6° |
| C16 | C15 | C14 | H19 | 64.4° | 86.5° |
| C16 | C15 | H20 | H21 | 123.3° | 122.1° |
| C15 | C16 | H22 | H23 | 121.7° | 121.5° |
| C18 | C13 | C14 | C17 | 120.0° | 116.6° |
| C18 | C13 | C14 | C12 | 121.9° | 119.8° |
| C18 | C13 | C17 | C16 | 85.3° | 74.8° |
| C18 | C13 | C17 | C12 | 126.1° | 126.6° |
| C18 | C13 | C12 | C11 | 72.1° | 51.9° |
| C18 | C13 | C17 | C20 | 39.6° | 43.5° |
| C18 | C13 | C17 | H1 | 160.9° | 166.8° |
| C18 | C13 | C14 | H19 | 177.9° | 172.1° |
| C18 | C13 | C12 | H24 | 48.6° | 67.5° |
| C18 | C13 | C12 | H25 | 167.2° | 171.6° |
| C13 | C18 | H30 | H31 | 120.0° | 120.0° |
| C13 | C18 | H30 | H32 | 120.0° | 120.0° |
| C13 | C18 | H31 | H32 | 120.0° | 120.0° |
| C14 | C13 | C17 | C16 | 35.0° | 42.3° |
| C14 | C13 | C17 | C12 | 113.7° | 116.3° |
| C14 | C13 | C12 | C11 | 52.6° | 68.2° |
| C14 | C13 | C17 | C20 | 159.9° | 160.6° |
| C14 | C13 | C17 | H1 | 78.8° | 76.1° |
| C13 | C14 | C15 | H20 | 71.1° | 88.6° |
| C13 | C14 | C15 | H21 | 166.6° | 149.3° |
| C14 | C13 | C12 | H24 | 173.3° | 172.3° |
| C14 | C13 | C12 | H25 | 68.1° | 51.4° |
| C14 | C13 | C18 | H30 | 180.0° | 179.9° |
| C14 | C13 | C18 | H31 | 60.0° | 60.2° |
| C14 | C13 | C18 | H32 | 60.0° | 59.8° |
| C09 | C11 | C12 | C13 | 46.4° | 59.5° |
| C09 | C11 | C12 | H26 | 120.7° | 120.6° |
| C09 | C11 | C12 | H27 | 120.7° | 120.5° |
| C09 | C11 | C12 | H24 | 167.1° | 179.0° |
| C09 | C11 | C12 | H25 | 74.4° | 60.1° |
| C09 | C11 | H26 | H27 | 117.9° | 118.7° |
| C11 | C09 | H28 | H29 | 118.8° | 119.5° |
| C35 | C36 | C31 | H7 | 120.2° | 120.0° |
| C35 | C36 | C31 | H8 | 120.2° | 120.0° |
| C36 | C35 | C37 | C38 | 118.9° | 120.0° |
| C36 | C35 | C37 | H4 | 120.3° | 120.0° |
| C36 | C35 | C38 | H4 | 120.4° | 120.0° |
| C36 | C35 | C37 | C29 | 60.8° | 60.0° |
| C35 | C36 | C31 | C30 | 59.5° | 60.0° |
| C35 | C36 | C31 | C32 | 59.8° | 60.0° |
| C36 | C35 | C38 | C33 | 58.6° | 60.0° |
| C36 | C35 | C38 | H5 | 178.8° | 180.0° |
| C36 | C35 | C38 | H6 | 61.6° | 60.0° |
| C35 | C36 | H7 | H8 | 119.4° | 119.9° |
| C36 | C35 | C37 | H9 | 59.5° | 60.0° |
| C36 | C35 | C37 | H10 | 178.9° | 180.0° |
| C35 | C36 | C31 | H16 | 180.0° | 180.0° |
| C31 | C36 | C35 | C37 | 59.8° | 60.0° |
| C31 | C36 | C35 | C38 | 59.5° | 60.0° |
| C36 | C31 | C30 | C32 | 119.3° | 120.0° |
| C36 | C31 | C30 | H16 | 120.4° | 120.0° |
| C36 | C31 | C32 | H16 | 120.1° | 120.0° |
| C36 | C31 | C30 | C29 | 59.5° | 60.0° |
| C36 | C31 | C32 | C33 | 58.9° | 60.0° |
| C31 | C36 | C35 | H4 | 179.8° | 180.0° |
| C31 | C36 | H7 | H8 | 119.5° | 120.1° |
| C36 | C31 | C32 | H14 | 61.2° | 179.9° |
| C36 | C31 | C32 | H15 | 179.1° | 60.0° |
| C36 | C31 | C30 | H17 | 179.7° | 180.0° |
| C36 | C31 | C30 | H18 | 60.8° | 60.0° |
| C16 | C17 | C13 | C20 | 124.9° | 118.3° |
| C16 | C17 | C13 | H1 | 113.8° | 118.4° |
| C16 | C17 | C13 | C12 | 148.7° | 158.6° |
| C16 | C17 | C20 | H1 | 117.6° | 123.3° |
| C16 | C17 | C20 | C22 | 67.7° | 152.9° |
| C17 | C16 | C15 | H20 | 94.3° | 114.5° |
| C17 | C16 | C15 | H21 | 143.3° | 123.2° |
| C17 | C16 | H22 | H23 | 121.7° | 121.6° |
| C17 | C13 | C12 | C11 | 159.6° | 178.6° |
| C13 | C17 | C20 | H1 | 120.5° | 123.3° |
| C13 | C17 | C20 | C22 | 54.2° | 39.5° |
| C17 | C13 | C14 | H19 | 62.1° | 71.3° |
| C13 | C17 | C16 | H22 | 112.3° | 143.1° |
| C13 | C17 | C16 | H23 | 126.5° | 95.2° |
| C17 | C13 | C12 | H24 | 79.7° | 59.1° |
| C17 | C13 | C12 | H25 | 38.9° | 61.8° |
| C17 | C13 | C18 | H30 | 69.6° | 68.6° |
| C17 | C13 | C18 | H31 | 170.4° | 171.4° |
| C17 | C13 | C18 | H32 | 50.3° | 51.4° |
| C13 | C12 | C11 | H24 | 120.7° | 119.5° |
| C13 | C12 | C11 | H25 | 120.7° | 119.6° |
| C12 | C13 | C17 | C20 | 86.4° | 83.1° |
| C12 | C13 | C17 | H1 | 34.9° | 40.2° |
| C12 | C13 | C14 | H19 | 56.0° | 52.4° |
| C13 | C12 | H24 | H25 | 117.9° | 121.0° |
| C13 | C12 | C11 | H26 | 167.1° | 61.1° |
| C13 | C12 | C11 | H27 | 74.3° | 180.0° |
| C12 | C13 | C18 | H30 | 58.7° | 62.1° |
| C12 | C13 | C18 | H31 | 61.3° | 57.8° |
| C12 | C13 | C18 | H32 | 178.7° | 177.9° |
| C37 | C35 | C38 | H4 | 120.9° | 120.0° |
| C35 | C37 | C29 | H9 | 120.3° | 120.0° |
| C35 | C37 | C29 | H10 | 120.3° | 120.0° |
| C35 | C37 | C29 | C30 | 59.4° | 60.0° |
| C35 | C37 | C29 | C25 | 179.6° | 180.0° |
| C35 | C37 | C29 | C34 | 55.9° | 60.0° |
| C37 | C35 | C38 | C33 | 60.0° | 60.0° |
| C37 | C35 | C38 | H5 | 60.2° | 60.0° |
| C37 | C35 | C38 | H6 | 179.8° | 180.0° |
| C37 | C35 | C36 | H7 | 180.0° | 180.0° |
| C37 | C35 | C36 | H8 | 60.4° | 60.0° |
| C35 | C37 | H9 | H10 | 119.1° | 120.0° |
| C38 | C35 | C37 | C29 | 58.1° | 60.0° |
| C35 | C38 | C33 | H5 | 120.2° | 119.9° |
| C35 | C38 | C33 | H6 | 120.2° | 120.0° |
| C35 | C38 | C33 | C32 | 58.2° | 60.0° |
| C35 | C38 | C33 | C34 | 60.2° | 60.0° |
| C35 | C38 | H5 | H6 | 119.4° | 120.0° |
| C38 | C35 | C36 | H7 | 60.7° | 60.0° |
| C38 | C35 | C36 | H8 | 179.6° | 179.9° |
| C38 | C35 | C37 | H9 | 178.4° | 180.0° |
| C38 | C35 | C37 | H10 | 62.2° | 60.0° |
| C35 | C38 | C33 | H13 | 179.1° | 180.0° |
| C37 | C29 | C30 | C31 | 58.3° | 60.0° |
| C37 | C29 | C30 | C25 | 122.0° | 120.0° |
| C37 | C29 | C30 | C34 | 116.2° | 120.0° |
| C37 | C29 | C25 | C34 | 122.6° | 120.0° |
| C37 | C29 | C25 | C24 | 59.3° | 180.0° |
| C37 | C29 | C25 | O03 | 179.9° | 60.0° |
| C37 | C29 | C34 | C33 | 56.4° | 60.0° |
| C37 | C29 | C25 | H3 | 61.4° | 60.0° |
| C29 | C37 | C35 | H4 | 178.9° | 180.0° |
| C29 | C37 | H9 | H10 | 119.1° | 120.0° |
| C37 | C29 | C34 | H11 | 176.7° | 60.0° |
| C37 | C29 | C34 | H12 | 63.9° | 180.0° |
| C37 | C29 | C30 | H17 | 178.5° | 180.0° |
| C37 | C29 | C30 | H18 | 62.0° | 60.0° |
| C11 | C12 | H24 | H25 | 117.9° | 121.0° |
| C12 | C11 | H26 | H27 | 117.9° | 118.9° |
| C12 | C11 | C09 | H28 | 74.7° | 168.8° |
| C12 | C11 | C09 | H29 | 166.1° | 71.7° |
| C17 | C20 | C22 | C23 | 6.9° | 114.5° |
| C20 | C17 | C16 | H22 | 15.8° | 98.6° |
| C20 | C17 | C16 | H23 | 105.4° | 23.1° |
| C30 | C31 | C32 | H16 | 120.3° | 120.0° |
| C31 | C30 | C29 | H17 | 120.2° | 120.0° |
| C31 | C30 | C29 | H18 | 120.3° | 120.0° |
| C31 | C30 | C29 | C25 | 179.8° | 180.0° |
| C31 | C30 | C29 | C34 | 57.9° | 60.0° |
| C30 | C31 | C32 | C33 | 60.6° | 60.0° |
| C30 | C31 | C36 | H7 | 179.7° | 180.0° |
| C30 | C31 | C36 | H8 | 60.7° | 60.0° |
| C30 | C31 | C32 | H14 | 179.3° | 60.1° |
| C30 | C31 | C32 | H15 | 59.6° | 180.0° |
| C31 | C30 | H17 | H18 | 119.2° | 120.0° |
| C32 | C31 | C30 | C29 | 59.8° | 60.0° |
| C31 | C32 | C33 | C38 | 58.3° | 60.0° |
| C31 | C32 | C33 | H14 | 120.1° | 120.0° |
| C31 | C32 | C33 | H15 | 120.2° | 120.0° |
| C31 | C32 | C33 | C34 | 60.6° | 60.0° |
| C32 | C31 | C36 | H7 | 60.4° | 60.0° |
| C32 | C31 | C36 | H8 | 180.0° | 180.0° |
| C31 | C32 | C33 | H13 | 179.1° | 179.9° |
| C31 | C32 | H14 | H15 | 119.5° | 120.0° |
| C32 | C31 | C30 | H17 | 60.4° | 60.0° |
| C32 | C31 | C30 | H18 | 179.9° | 180.0° |
| C30 | C29 | C25 | C34 | 119.0° | 120.1° |
| C30 | C29 | C25 | C24 | 177.8° | 60.0° |
| C30 | C29 | C25 | O03 | 61.7° | 59.9° |
| C30 | C29 | C34 | C33 | 58.5° | 60.0° |
| C30 | C29 | C25 | H3 | 57.1° | 180.0° |
| C30 | C29 | C37 | H9 | 60.9° | 60.0° |
| C30 | C29 | C37 | H10 | 179.7° | 180.0° |
| C30 | C29 | C34 | H11 | 61.8° | 180.0° |
| C30 | C29 | C34 | H12 | 178.8° | 60.0° |
| C29 | C30 | C31 | H16 | 179.9° | 180.0° |
| C29 | C30 | H17 | H18 | 119.2° | 120.0° |
| C20 | C22 | C23 | C24 | 8.3° | 140.0° |
| C22 | C20 | C17 | H1 | 174.6° | 83.8° |
| C29 | C25 | C24 | O03 | 122.1° | 120.0° |
| C29 | C25 | C24 | H3 | 119.9° | 120.0° |
| C29 | C25 | O03 | H3 | 117.7° | 120.1° |
| C29 | C25 | C24 | C23 | 58.7° | 92.1° |
| C25 | C29 | C34 | C33 | 178.9° | 180.0° |
| C29 | C25 | O03 | H2 | 180.0° | 60.0° |
| C25 | C29 | C37 | H9 | 59.3° | 60.0° |
| C25 | C29 | C37 | H10 | 60.1° | 60.0° |
| C25 | C29 | C34 | H11 | 58.6° | 60.0° |
| C25 | C29 | C34 | H12 | 60.8° | 60.1° |
| C25 | C29 | C30 | H17 | 59.5° | 60.0° |
| C25 | C29 | C30 | H18 | 60.0° | 59.9° |
| C29 | C34 | C33 | C38 | 58.9° | 60.0° |
| C34 | C29 | C25 | C24 | 63.2° | 60.1° |
| C34 | C29 | C25 | O03 | 57.3° | 180.0° |
| C29 | C34 | C33 | C32 | 60.3° | 60.0° |
| C29 | C34 | C33 | H11 | 120.3° | 120.0° |
| C29 | C34 | C33 | H12 | 120.3° | 119.9° |
| C34 | C29 | C25 | H3 | 176.1° | 59.9° |
| C34 | C29 | C37 | H9 | 176.2° | 180.0° |
| C34 | C29 | C37 | H10 | 64.4° | 60.0° |
| C29 | C34 | H11 | H12 | 119.1° | 119.9° |
| C29 | C34 | C33 | H13 | 179.4° | 180.0° |
| C34 | C29 | C30 | H17 | 62.4° | 60.0° |
| C34 | C29 | C30 | H18 | 178.2° | 180.0° |
| C38 | C33 | C32 | C34 | 118.9° | 120.0° |
| C38 | C33 | C32 | H13 | 120.8° | 120.0° |
| C38 | C33 | C34 | H13 | 120.6° | 120.0° |
| C33 | C38 | C35 | H4 | 179.0° | 180.0° |
| C33 | C38 | H5 | H6 | 119.4° | 120.1° |
| C38 | C33 | C34 | H11 | 179.2° | 59.9° |
| C38 | C33 | C34 | H12 | 61.4° | 180.0° |
| C38 | C33 | C32 | H14 | 61.8° | 180.0° |
| C38 | C33 | C32 | H15 | 178.4° | 60.0° |
| C24 | C25 | O03 | H3 | 117.7° | 120.0° |
| C25 | C24 | C23 | C22 | 5.2° | 157.3° |
| C24 | C25 | O03 | H2 | 55.4° | 60.0° |
| O03 | C25 | C24 | C23 | 179.1° | 148.0° |
| C23 | C24 | C25 | H3 | 61.2° | 27.9° |
| C32 | C33 | C34 | H13 | 120.3° | 120.0° |
| C32 | C33 | C38 | H5 | 178.4° | 179.9° |
| C32 | C33 | C38 | H6 | 62.0° | 60.0° |
| C32 | C33 | C34 | H11 | 60.0° | 179.9° |
| C32 | C33 | C34 | H12 | 179.4° | 60.0° |
| C33 | C32 | H14 | H15 | 119.6° | 120.0° |
| C33 | C32 | C31 | H16 | 179.1° | 180.0° |
| C34 | C33 | C38 | H5 | 60.0° | 59.9° |
| C34 | C33 | C38 | H6 | 179.6° | 180.0° |
| C33 | C34 | H11 | H12 | 119.1° | 120.1° |
| C34 | C33 | C32 | H14 | 179.3° | 60.0° |
| C34 | C33 | C32 | H15 | 59.6° | 180.0° |
| H1 | C17 | C16 | H22 | 134.1° | 24.7° |
| H1 | C17 | C16 | H23 | 12.9° | 146.4° |
| H2 | O03 | C25 | H3 | 62.3° | 180.0° |
| H4 | C35 | C38 | H5 | 60.8° | 60.0° |
| H4 | C35 | C38 | H6 | 58.8° | 60.0° |
| H4 | C35 | C36 | H7 | 59.6° | 59.9° |
| H4 | C35 | C36 | H8 | 60.0° | 60.0° |
| H4 | C35 | C37 | H9 | 60.8° | 60.0° |
| H4 | C35 | C37 | H10 | 58.6° | 60.0° |
| H5 | C38 | C33 | H13 | 60.7° | 60.1° |
| H6 | C38 | C33 | H13 | 58.9° | 60.0° |
| H7 | C36 | C31 | H16 | 59.8° | 60.0° |
| H8 | C36 | C31 | H16 | 59.8° | 60.0° |
| H11 | C34 | C33 | H13 | 60.2° | 60.1° |
| H12 | C34 | C33 | H13 | 59.2° | 60.0° |
| H13 | C33 | C32 | H14 | 59.0° | 60.0° |
| H13 | C33 | C32 | H15 | 60.8° | 60.0° |
| H14 | C32 | C31 | H16 | 58.9° | 60.0° |
| H15 | C32 | C31 | H16 | 60.8° | 60.0° |
| H16 | C31 | C30 | H17 | 59.9° | 60.0° |
| H16 | C31 | C30 | H18 | 59.6° | 60.0° |
| H19 | C14 | C15 | H20 | 176.8° | 154.4° |
| H19 | C14 | C15 | H21 | 54.5° | 32.3° |
| H20 | C15 | C16 | H22 | 25.1° | 126.0° |
| H20 | C15 | C16 | H23 | 146.3° | 4.4° |
| H21 | C15 | C16 | H22 | 97.3° | 3.8° |
| H21 | C15 | C16 | H23 | 23.9° | 117.8° |
| H24 | C12 | C11 | H26 | 72.2° | 58.4° |
| H24 | C12 | C11 | H27 | 46.4° | 60.5° |
| H25 | C12 | C11 | H26 | 46.4° | 179.2° |
| H25 | C12 | C11 | H27 | 165.0° | 60.4° |
| H26 | C11 | C09 | H28 | 46.0° | 48.2° |
| H26 | C11 | C09 | H29 | 73.2° | 167.7° |
| H27 | C11 | C09 | H28 | 164.6° | 70.6° |
| H27 | C11 | C09 | H29 | 45.4° | 48.9° |
| H30 | C18 | H31 | H32 | 119.9° | 120.0° |
| H33 | C07 | C06 | H34 | 163.5° | 174.9° |
| H35 | C04 | C03 | H37 | 67.7° | 49.6° |
| H36 | C04 | C03 | H37 | 51.5° | 70.8° |
| H37 | C03 | O02 | H44 | 59.6° | 59.6° |
| H38 | C01 | C10 | H39 | 169.5° | 49.5° |
| H38 | C01 | C10 | H40 | 51.2° | 170.1° |
| H38 | C01 | O01 | H43 | 58.5° | 60.4° |
