A1JWE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C03 | sing | 1.52Å | 1.56Å | |
| C02 | C30 | sing | 1.47Å | 1.55Å | |
| C02 | O01 | doub | 1.21Å | 1.18Å | |
| C03 | C04 | sing | 1.53Å | 1.58Å | |
| C04 | C05 | sing | 1.51Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C05 | C07 | sing | 1.50Å | 1.60Å | |
| C05 | C11 | sing | 1.53Å | 1.55Å | |
| C07 | C08 | sing | 1.52Å | 1.63Å | |
| C07 | C30 | doub | 1.33Å | 1.49Å | |
| C08 | C09 | sing | 1.53Å | 1.60Å | |
| C09 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.54Å | 1.65Å | |
| C10 | C16 | sing | 1.52Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.50Å | |
| C12 | C13 | sing | 1.54Å | 1.69Å | |
| C13 | C14 | sing | 1.52Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C14 | C16 | sing | 1.53Å | 1.57Å | |
| C14 | C19 | sing | 1.53Å | 1.64Å | |
| C16 | C17 | sing | 1.53Å | 1.61Å | |
| C17 | C18 | sing | 1.55Å | 1.57Å | |
| C18 | C19 | sing | 1.53Å | 1.69Å | |
| C19 | C20 | sing | 1.53Å | 1.37Å | |
| C20 | C21 | sing | 1.53Å | 1.59Å | |
| C20 | C29 | sing | 1.53Å | 1.59Å | |
| C21 | C22 | sing | 1.53Å | 1.56Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C26 | sing | 1.51Å | 1.57Å | |
| C26 | O27 | doub | 1.21Å | 1.27Å | |
| C26 | O28 | sing | 1.34Å | 1.28Å | |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| O28 | H42 | sing | 0.97Å | 0.95Å | |
| C30 | H43 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C30 | 119.8° | 116.1° |
| C03 | C02 | O01 | 122.4° | 121.9° |
| C02 | C03 | C04 | 116.4° | 107.6° |
| C02 | C03 | H1 | 107.7° | 109.8° |
| C02 | C03 | H2 | 107.7° | 109.8° |
| C30 | C02 | O01 | 117.8° | 122.0° |
| C02 | C30 | C07 | 116.5° | 119.1° |
| C02 | C30 | H43 | 121.7° | 120.4° |
| C03 | C04 | C05 | 113.2° | 112.3° |
| C04 | C03 | H1 | 107.7° | 109.8° |
| C04 | C03 | H2 | 107.7° | 109.9° |
| C03 | C04 | H3 | 108.5° | 108.9° |
| C03 | C04 | H4 | 108.5° | 108.9° |
| C04 | C05 | C06 | 107.7° | 106.8° |
| C04 | C05 | C07 | 114.7° | 115.5° |
| C04 | C05 | C11 | 106.3° | 111.8° |
| C05 | C04 | H3 | 108.5° | 109.0° |
| C05 | C04 | H4 | 108.5° | 108.9° |
| C06 | C05 | C07 | 105.6° | 106.7° |
| C06 | C05 | C11 | 109.8° | 106.6° |
| C05 | C06 | H5 | 109.5° | 109.5° |
| C05 | C06 | H6 | 109.4° | 109.5° |
| C05 | C06 | H7 | 109.4° | 109.5° |
| C07 | C05 | C11 | 112.6° | 108.9° |
| C05 | C07 | C08 | 116.6° | 117.4° |
| C05 | C07 | C30 | 122.8° | 123.8° |
| C05 | C11 | C10 | 111.1° | 108.6° |
| C05 | C11 | C12 | 110.7° | 109.5° |
| C05 | C11 | H13 | 109.0° | 109.3° |
| C08 | C07 | C30 | 120.6° | 118.8° |
| C07 | C08 | C09 | 108.3° | 107.7° |
| C07 | C08 | H8 | 109.8° | 109.8° |
| C07 | C08 | H9 | 109.7° | 109.8° |
| C07 | C30 | H43 | 121.8° | 120.5° |
| C08 | C09 | C10 | 110.0° | 109.9° |
| C09 | C08 | H8 | 109.7° | 109.8° |
| C09 | C08 | H9 | 109.8° | 109.8° |
| C08 | C09 | H10 | 109.3° | 109.4° |
| C08 | C09 | H11 | 109.3° | 109.4° |
| C09 | C10 | C11 | 111.3° | 109.3° |
| C09 | C10 | C16 | 109.3° | 110.1° |
| C10 | C09 | H10 | 109.3° | 109.4° |
| C10 | C09 | H11 | 109.3° | 109.4° |
| C09 | C10 | H12 | 109.5° | 109.6° |
| C11 | C10 | C16 | 109.6° | 107.4° |
| C10 | C11 | C12 | 108.7° | 111.1° |
| C11 | C10 | H12 | 107.9° | 110.2° |
| C10 | C11 | H13 | 107.8° | 109.8° |
| C10 | C16 | C14 | 115.6° | 108.0° |
| C10 | C16 | C17 | 118.5° | 115.8° |
| C16 | C10 | H12 | 109.3° | 110.2° |
| C10 | C16 | H21 | 105.1° | 110.3° |
| C11 | C12 | C13 | 112.1° | 111.7° |
| C12 | C11 | H13 | 109.5° | 108.6° |
| C11 | C12 | H14 | 108.8° | 109.0° |
| C11 | C12 | H15 | 108.8° | 109.0° |
| C12 | C13 | C14 | 112.5° | 107.2° |
| C13 | C12 | H14 | 108.8° | 109.1° |
| C13 | C12 | H15 | 108.8° | 109.1° |
| C12 | C13 | H16 | 108.7° | 109.9° |
| C12 | C13 | H17 | 108.7° | 109.9° |
| C13 | C14 | C15 | 107.5° | 109.8° |
| C13 | C14 | C16 | 110.3° | 107.7° |
| C13 | C14 | C19 | 122.1° | 116.5° |
| C14 | C13 | H16 | 108.7° | 109.9° |
| C14 | C13 | H17 | 108.7° | 110.0° |
| C15 | C14 | C16 | 105.3° | 109.1° |
| C15 | C14 | C19 | 107.9° | 109.8° |
| C14 | C15 | H18 | 109.5° | 109.5° |
| C14 | C15 | H19 | 109.5° | 109.5° |
| C14 | C15 | H20 | 109.5° | 109.5° |
| C16 | C14 | C19 | 102.6° | 103.6° |
| C14 | C16 | C17 | 107.0° | 102.0° |
| C14 | C16 | H21 | 104.7° | 109.2° |
| C14 | C19 | C18 | 103.7° | 105.3° |
| C14 | C19 | C20 | 117.4° | 110.3° |
| C14 | C19 | H26 | 107.6° | 110.3° |
| C16 | C17 | C18 | 104.4° | 102.9° |
| C17 | C16 | H21 | 104.4° | 111.0° |
| C16 | C17 | H22 | 110.7° | 110.7° |
| C16 | C17 | H23 | 110.7° | 110.7° |
| C17 | C18 | C19 | 107.1° | 106.5° |
| C18 | C17 | H22 | 110.7° | 110.7° |
| C18 | C17 | H23 | 110.7° | 110.7° |
| C17 | C18 | H24 | 110.0° | 110.1° |
| C17 | C18 | H25 | 110.1° | 110.1° |
| C18 | C19 | C20 | 109.3° | 108.7° |
| C19 | C18 | H24 | 110.1° | 111.7° |
| C19 | C18 | H25 | 110.0° | 108.3° |
| C18 | C19 | H26 | 107.0° | 111.8° |
| C19 | C20 | C21 | 105.6° | 109.5° |
| C19 | C20 | C29 | 111.8° | 109.4° |
| C20 | C19 | H26 | 111.2° | 110.4° |
| C19 | C20 | H27 | 113.2° | 109.5° |
| C21 | C20 | C29 | 106.3° | 109.4° |
| C20 | C21 | C22 | 113.1° | 109.5° |
| C21 | C20 | H27 | 109.8° | 109.5° |
| C20 | C21 | H28 | 108.6° | 109.4° |
| C20 | C21 | H29 | 108.6° | 109.5° |
| C29 | C20 | H27 | 109.8° | 109.5° |
| C20 | C29 | H38 | 109.5° | 109.5° |
| C20 | C29 | H39 | 109.5° | 109.5° |
| C20 | C29 | H40 | 109.5° | 109.5° |
| C21 | C22 | C23 | 110.5° | 109.5° |
| C22 | C21 | H28 | 108.5° | 109.5° |
| C22 | C21 | H29 | 108.6° | 109.5° |
| C21 | C22 | H30 | 109.2° | 109.5° |
| C21 | C22 | H31 | 109.2° | 109.5° |
| C22 | C23 | C24 | 109.7° | 109.5° |
| C23 | C22 | H30 | 109.2° | 109.5° |
| C23 | C22 | H31 | 109.2° | 109.4° |
| C22 | C23 | H32 | 109.4° | 109.5° |
| C22 | C23 | H33 | 109.4° | 109.5° |
| C23 | C24 | C25 | 109.6° | 109.5° |
| C23 | C24 | C26 | 110.3° | 109.5° |
| C24 | C23 | H32 | 109.4° | 109.5° |
| C24 | C23 | H33 | 109.4° | 109.4° |
| C23 | C24 | H34 | 107.8° | 109.4° |
| C25 | C24 | C26 | 113.2° | 109.5° |
| C25 | C24 | H34 | 108.0° | 109.5° |
| C24 | C25 | H35 | 109.5° | 109.5° |
| C24 | C25 | H36 | 109.5° | 109.5° |
| C24 | C25 | H37 | 109.5° | 109.4° |
| C24 | C26 | O27 | 119.0° | 120.0° |
| C24 | C26 | O28 | 121.3° | 120.0° |
| C26 | C24 | H34 | 107.6° | 109.5° |
| O27 | C26 | O28 | 119.7° | 120.0° |
| C26 | O28 | H42 | 109.5° | 117.0° |
| H1 | C03 | H2 | 109.5° | 109.9° |
| H3 | C04 | H4 | 109.5° | 108.8° |
| H5 | C06 | H6 | 109.5° | 109.4° |
| H5 | C06 | H7 | 109.5° | 109.5° |
| H6 | C06 | H7 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.8° |
| H10 | C09 | H11 | 109.5° | 109.3° |
| H14 | C12 | H15 | 109.5° | 109.0° |
| H16 | C13 | H17 | 109.5° | 110.0° |
| H18 | C15 | H19 | 109.5° | 109.4° |
| H18 | C15 | H20 | 109.4° | 109.4° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H22 | C17 | H23 | 109.5° | 110.8° |
| H24 | C18 | H25 | 109.5° | 110.1° |
| H28 | C21 | H29 | 109.5° | 109.4° |
| H30 | C22 | H31 | 109.5° | 109.5° |
| H32 | C23 | H33 | 109.5° | 109.4° |
| H35 | C25 | H36 | 109.5° | 109.5° |
| H35 | C25 | H37 | 109.5° | 109.5° |
| H36 | C25 | H37 | 109.4° | 109.5° |
| H38 | C29 | H39 | 109.5° | 109.5° |
| H38 | C29 | H40 | 109.5° | 109.5° |
| H39 | C29 | H40 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C30 | O01 | 178.8° | 179.7° |
| C02 | C03 | C04 | H1 | 121.0° | 119.5° |
| C02 | C03 | C04 | H2 | 121.0° | 119.5° |
| C02 | C03 | C04 | C05 | 45.3° | 55.2° |
| C03 | C02 | C30 | C07 | 9.7° | 23.6° |
| C02 | C03 | H1 | H2 | 116.9° | 120.9° |
| C02 | C03 | C04 | H3 | 75.3° | 176.0° |
| C02 | C03 | C04 | H4 | 165.8° | 65.5° |
| C03 | C02 | C30 | H43 | 170.3° | 155.6° |
| C30 | C02 | C03 | C04 | 19.6° | 52.1° |
| C02 | C30 | C07 | C05 | 13.8° | 3.4° |
| C02 | C30 | C07 | C08 | 168.7° | 176.2° |
| C02 | C30 | C07 | H43 | 180.0° | 179.3° |
| C30 | C02 | C03 | H1 | 140.6° | 67.4° |
| C30 | C02 | C03 | H2 | 101.3° | 171.7° |
| O01 | C02 | C03 | C04 | 161.6° | 127.6° |
| O01 | C02 | C30 | C07 | 169.2° | 156.1° |
| O01 | C02 | C03 | H1 | 40.6° | 112.9° |
| O01 | C02 | C03 | H2 | 77.5° | 8.1° |
| O01 | C02 | C30 | H43 | 10.8° | 24.6° |
| C03 | C04 | C05 | H3 | 120.6° | 120.8° |
| C03 | C04 | C05 | H4 | 120.5° | 120.7° |
| C03 | C04 | C05 | C06 | 76.5° | 150.5° |
| C03 | C04 | C05 | C07 | 40.7° | 32.0° |
| C03 | C04 | C05 | C11 | 165.8° | 93.2° |
| C04 | C03 | H1 | H2 | 116.8° | 121.0° |
| C03 | C04 | H3 | H4 | 118.3° | 118.6° |
| C04 | C05 | C06 | C07 | 123.0° | 124.0° |
| C04 | C05 | C06 | C11 | 115.3° | 119.7° |
| C04 | C05 | C07 | C11 | 121.8° | 126.8° |
| C04 | C05 | C07 | C08 | 165.4° | 179.0° |
| C04 | C05 | C07 | C30 | 12.1° | 1.4° |
| C04 | C05 | C11 | C10 | 172.4° | 174.8° |
| C04 | C05 | C11 | C12 | 66.7° | 53.2° |
| C05 | C04 | C03 | H1 | 166.3° | 64.3° |
| C05 | C04 | C03 | H2 | 75.7° | 174.7° |
| C05 | C04 | H3 | H4 | 118.3° | 118.6° |
| C04 | C05 | C06 | H5 | 180.0° | 60.0° |
| C04 | C05 | C06 | H6 | 60.0° | 180.0° |
| C04 | C05 | C06 | H7 | 60.0° | 60.0° |
| C04 | C05 | C11 | H13 | 53.9° | 65.6° |
| C06 | C05 | C07 | C11 | 119.8° | 114.7° |
| C06 | C05 | C07 | C08 | 76.2° | 60.5° |
| C06 | C05 | C07 | C30 | 106.3° | 119.9° |
| C06 | C05 | C11 | C10 | 71.4° | 58.4° |
| C06 | C05 | C11 | C12 | 49.6° | 63.1° |
| C06 | C05 | C04 | H3 | 162.9° | 88.7° |
| C06 | C05 | C04 | H4 | 44.0° | 29.8° |
| C05 | C06 | H5 | H6 | 120.0° | 120.0° |
| C05 | C06 | H5 | H7 | 120.0° | 120.0° |
| C05 | C06 | H6 | H7 | 120.0° | 120.0° |
| C06 | C05 | C11 | H13 | 170.1° | 178.1° |
| C05 | C07 | C08 | C30 | 177.6° | 179.6° |
| C05 | C07 | C08 | C09 | 47.5° | 53.0° |
| C07 | C05 | C11 | C10 | 46.0° | 56.4° |
| C07 | C05 | C11 | C12 | 166.9° | 177.9° |
| C07 | C05 | C04 | H3 | 79.9° | 152.8° |
| C07 | C05 | C04 | H4 | 161.2° | 88.7° |
| C07 | C05 | C06 | H5 | 57.0° | 64.0° |
| C07 | C05 | C06 | H6 | 177.0° | 55.9° |
| C07 | C05 | C06 | H7 | 63.0° | 176.0° |
| C05 | C07 | C08 | H8 | 72.3° | 66.6° |
| C05 | C07 | C08 | H9 | 167.4° | 172.6° |
| C07 | C05 | C11 | H13 | 72.6° | 63.3° |
| C05 | C07 | C30 | H43 | 166.2° | 177.3° |
| C11 | C05 | C07 | C08 | 43.7° | 54.2° |
| C11 | C05 | C07 | C30 | 133.9° | 125.4° |
| C05 | C11 | C10 | C09 | 59.1° | 63.2° |
| C05 | C11 | C10 | C12 | 122.1° | 120.5° |
| C05 | C11 | C10 | H13 | 119.3° | 119.4° |
| C05 | C11 | C10 | C16 | 179.9° | 177.4° |
| C05 | C11 | C12 | H13 | 120.2° | 119.2° |
| C05 | C11 | C12 | C13 | 178.0° | 174.6° |
| C11 | C05 | C04 | H3 | 45.3° | 27.5° |
| C11 | C05 | C04 | H4 | 73.6° | 146.1° |
| C11 | C05 | C06 | H5 | 64.7° | 179.7° |
| C11 | C05 | C06 | H6 | 55.3° | 60.3° |
| C11 | C05 | C06 | H7 | 175.3° | 59.7° |
| C05 | C11 | C10 | H12 | 61.1° | 57.3° |
| C05 | C11 | C12 | H14 | 61.6° | 64.8° |
| C05 | C11 | C12 | H15 | 57.6° | 54.1° |
| C07 | C08 | C09 | H8 | 119.8° | 119.6° |
| C07 | C08 | C09 | H9 | 119.8° | 119.6° |
| C07 | C08 | C09 | C10 | 57.9° | 55.3° |
| C07 | C08 | H8 | H9 | 120.5° | 120.9° |
| C07 | C08 | C09 | H10 | 178.0° | 175.5° |
| C07 | C08 | C09 | H11 | 62.1° | 64.8° |
| C08 | C07 | C30 | H43 | 11.3° | 3.1° |
| C30 | C07 | C08 | C09 | 130.0° | 126.6° |
| C30 | C07 | C08 | H8 | 110.1° | 113.8° |
| C30 | C07 | C08 | H9 | 10.2° | 7.0° |
| C08 | C09 | C10 | H10 | 120.1° | 120.2° |
| C08 | C09 | C10 | H11 | 120.1° | 120.1° |
| C08 | C09 | C10 | C11 | 65.1° | 63.5° |
| C08 | C09 | C10 | C16 | 173.8° | 178.8° |
| C09 | C08 | H8 | H9 | 120.5° | 120.9° |
| C08 | C09 | H10 | H11 | 119.7° | 119.7° |
| C08 | C09 | C10 | H12 | 54.1° | 57.4° |
| C09 | C10 | C11 | C16 | 121.0° | 119.4° |
| C09 | C10 | C11 | H12 | 120.2° | 120.6° |
| C09 | C10 | C16 | H12 | 119.8° | 121.0° |
| C09 | C10 | C11 | C12 | 178.8° | 176.2° |
| C09 | C10 | C16 | C14 | 179.4° | 177.1° |
| C09 | C10 | C16 | C17 | 51.6° | 63.5° |
| C10 | C09 | C08 | H8 | 61.9° | 64.3° |
| C10 | C09 | C08 | H9 | 177.8° | 174.9° |
| C10 | C09 | H10 | H11 | 119.7° | 119.8° |
| C09 | C10 | C11 | H13 | 60.2° | 56.1° |
| C09 | C10 | C16 | H21 | 64.4° | 63.7° |
| C11 | C10 | C16 | H12 | 118.0° | 120.0° |
| C10 | C11 | C12 | H13 | 117.5° | 120.8° |
| C10 | C11 | C12 | C13 | 55.7° | 54.6° |
| C11 | C10 | C16 | C14 | 57.1° | 64.0° |
| C11 | C10 | C16 | C17 | 173.8° | 177.6° |
| C11 | C10 | C09 | H10 | 174.8° | 176.4° |
| C11 | C10 | C09 | H11 | 55.0° | 56.7° |
| C10 | C11 | C12 | H14 | 176.1° | 175.3° |
| C10 | C11 | C12 | H15 | 64.6° | 65.9° |
| C11 | C10 | C16 | H21 | 57.8° | 55.3° |
| C16 | C10 | C11 | C12 | 57.9° | 56.8° |
| C10 | C16 | C14 | C13 | 54.1° | 69.5° |
| C10 | C16 | C14 | C15 | 61.6° | 49.6° |
| C10 | C16 | C14 | C17 | 134.5° | 122.5° |
| C10 | C16 | C14 | H21 | 115.1° | 120.0° |
| C10 | C16 | C14 | C19 | 174.4° | 166.5° |
| C10 | C16 | C17 | H21 | 116.4° | 126.8° |
| C10 | C16 | C17 | C18 | 167.8° | 157.3° |
| C16 | C10 | C09 | H10 | 53.7° | 58.6° |
| C16 | C10 | C09 | H11 | 66.2° | 61.0° |
| C16 | C10 | C11 | H13 | 60.8° | 63.3° |
| C10 | C16 | C17 | H22 | 48.6° | 38.9° |
| C10 | C16 | C17 | H23 | 73.0° | 84.4° |
| C11 | C12 | C13 | H14 | 120.4° | 120.6° |
| C11 | C12 | C13 | H15 | 120.4° | 120.5° |
| C11 | C12 | C13 | C14 | 54.4° | 57.4° |
| C12 | C11 | C10 | H12 | 61.0° | 63.2° |
| C11 | C12 | H14 | H15 | 118.8° | 118.9° |
| C11 | C12 | C13 | H16 | 66.1° | 62.0° |
| C11 | C12 | C13 | H17 | 174.8° | 176.9° |
| C12 | C13 | C14 | H16 | 120.5° | 119.4° |
| C12 | C13 | C14 | H17 | 120.4° | 119.5° |
| C12 | C13 | C14 | C15 | 65.6° | 54.6° |
| C12 | C13 | C14 | C16 | 48.7° | 64.1° |
| C12 | C13 | C14 | C19 | 169.1° | 179.8° |
| C13 | C12 | C11 | H13 | 61.8° | 66.2° |
| C13 | C12 | H14 | H15 | 118.8° | 119.0° |
| C12 | C13 | H16 | H17 | 118.6° | 121.1° |
| C13 | C14 | C15 | C16 | 117.6° | 117.8° |
| C13 | C14 | C15 | C19 | 133.4° | 129.3° |
| C13 | C14 | C16 | C19 | 131.6° | 124.0° |
| C13 | C14 | C16 | C17 | 171.5° | 168.1° |
| C13 | C14 | C19 | C18 | 152.9° | 148.2° |
| C13 | C14 | C19 | C20 | 86.4° | 94.7° |
| C14 | C13 | C12 | H14 | 174.8° | 178.0° |
| C14 | C13 | C12 | H15 | 66.0° | 63.1° |
| C14 | C13 | H16 | H17 | 118.6° | 121.2° |
| C13 | C14 | C15 | H18 | 180.0° | 57.7° |
| C13 | C14 | C15 | H19 | 60.0° | 177.7° |
| C13 | C14 | C15 | H20 | 60.0° | 62.2° |
| C13 | C14 | C16 | H21 | 61.1° | 50.5° |
| C13 | C14 | C19 | H26 | 39.8° | 27.4° |
| C15 | C14 | C16 | C19 | 112.7° | 116.9° |
| C15 | C14 | C16 | C17 | 72.8° | 72.8° |
| C15 | C14 | C19 | C18 | 82.0° | 86.2° |
| C15 | C14 | C19 | C20 | 38.7° | 30.9° |
| C15 | C14 | C13 | H16 | 174.0° | 174.0° |
| C15 | C14 | C13 | H17 | 54.9° | 64.9° |
| C14 | C15 | H18 | H19 | 120.0° | 120.0° |
| C14 | C15 | H18 | H20 | 120.0° | 120.0° |
| C14 | C15 | H19 | H20 | 120.0° | 120.0° |
| C15 | C14 | C16 | H21 | 176.8° | 169.6° |
| C15 | C14 | C19 | H26 | 164.9° | 153.0° |
| C14 | C16 | C17 | H21 | 110.7° | 116.2° |
| C14 | C16 | C17 | C18 | 34.9° | 40.3° |
| C16 | C14 | C19 | C18 | 28.9° | 30.2° |
| C16 | C14 | C19 | C20 | 149.5° | 147.3° |
| C14 | C16 | C10 | H12 | 60.8° | 56.0° |
| C16 | C14 | C13 | H16 | 71.7° | 55.3° |
| C16 | C14 | C13 | H17 | 169.2° | 176.5° |
| C16 | C14 | C15 | H18 | 62.4° | 60.1° |
| C16 | C14 | C15 | H19 | 177.6° | 59.9° |
| C16 | C14 | C15 | H20 | 57.6° | 180.0° |
| C14 | C16 | C17 | H22 | 84.3° | 78.1° |
| C14 | C16 | C17 | H23 | 154.1° | 158.6° |
| C16 | C14 | C19 | H26 | 84.3° | 90.6° |
| C19 | C14 | C16 | C17 | 39.9° | 44.1° |
| C14 | C19 | C18 | C17 | 8.4° | 4.9° |
| C14 | C19 | C18 | C20 | 126.0° | 118.1° |
| C14 | C19 | C18 | H26 | 113.5° | 119.7° |
| C14 | C19 | C20 | H26 | 124.4° | 122.1° |
| C14 | C19 | C20 | C21 | 178.0° | 174.2° |
| C14 | C19 | C20 | C29 | 62.8° | 65.8° |
| C19 | C14 | C13 | H16 | 48.7° | 60.5° |
| C19 | C14 | C13 | H17 | 70.4° | 60.7° |
| C19 | C14 | C15 | H18 | 46.6° | 172.9° |
| C19 | C14 | C15 | H19 | 73.4° | 53.0° |
| C19 | C14 | C15 | H20 | 166.6° | 67.1° |
| C19 | C14 | C16 | H21 | 70.5° | 73.5° |
| C14 | C19 | C18 | H24 | 111.2° | 115.3° |
| C14 | C19 | C18 | H25 | 128.1° | 123.3° |
| C14 | C19 | C20 | H27 | 61.9° | 54.2° |
| C16 | C17 | C18 | H22 | 119.2° | 118.4° |
| C16 | C17 | C18 | H23 | 119.2° | 118.3° |
| C16 | C17 | C18 | C19 | 15.0° | 21.9° |
| C17 | C16 | C10 | H12 | 68.2° | 57.6° |
| C16 | C17 | H22 | H23 | 122.4° | 123.2° |
| C16 | C17 | C18 | H24 | 134.6° | 143.2° |
| C16 | C17 | C18 | H25 | 104.7° | 95.2° |
| C17 | C18 | C19 | H24 | 119.6° | 120.2° |
| C17 | C18 | C19 | H25 | 119.6° | 118.3° |
| C17 | C18 | C19 | C20 | 134.4° | 123.1° |
| C18 | C17 | C16 | H21 | 75.8° | 75.9° |
| C18 | C17 | H22 | H23 | 122.3° | 123.2° |
| C17 | C18 | H24 | H25 | 121.1° | 121.6° |
| C17 | C18 | C19 | H26 | 105.1° | 114.8° |
| C18 | C19 | C20 | H26 | 117.9° | 123.0° |
| C18 | C19 | C20 | C21 | 64.3° | 59.3° |
| C18 | C19 | C20 | C29 | 179.5° | 179.2° |
| C19 | C18 | C17 | H22 | 104.2° | 96.4° |
| C19 | C18 | C17 | H23 | 134.1° | 140.3° |
| C19 | C18 | H24 | H25 | 121.1° | 120.4° |
| C18 | C19 | C20 | H27 | 55.8° | 60.8° |
| C19 | C20 | C21 | C29 | 118.9° | 119.9° |
| C19 | C20 | C21 | H27 | 122.3° | 120.1° |
| C19 | C20 | C29 | H27 | 126.5° | 120.0° |
| C19 | C20 | C21 | C22 | 173.1° | 175.0° |
| C20 | C19 | C18 | H24 | 14.8° | 2.9° |
| C20 | C19 | C18 | H25 | 105.9° | 118.6° |
| C19 | C20 | C21 | H28 | 52.5° | 55.0° |
| C19 | C20 | C21 | H29 | 66.4° | 64.9° |
| C19 | C20 | C29 | H38 | 180.0° | 63.6° |
| C19 | C20 | C29 | H39 | 60.0° | 176.4° |
| C19 | C20 | C29 | H40 | 60.0° | 56.4° |
| C21 | C20 | C29 | H27 | 118.7° | 120.0° |
| C20 | C21 | C22 | H28 | 120.5° | 119.9° |
| C20 | C21 | C22 | H29 | 120.5° | 120.1° |
| C20 | C21 | C22 | C23 | 57.7° | 179.9° |
| C21 | C20 | C19 | H26 | 53.6° | 63.7° |
| C20 | C21 | H28 | H29 | 118.3° | 120.0° |
| C20 | C21 | C22 | H30 | 177.9° | 60.1° |
| C20 | C21 | C22 | H31 | 62.4° | 60.0° |
| C21 | C20 | C29 | H38 | 65.2° | 176.4° |
| C21 | C20 | C29 | H39 | 54.8° | 56.4° |
| C21 | C20 | C29 | H40 | 174.7° | 63.6° |
| C29 | C20 | C21 | C22 | 68.0° | 65.0° |
| C29 | C20 | C19 | H26 | 61.6° | 56.2° |
| C29 | C20 | C21 | H28 | 171.5° | 175.0° |
| C29 | C20 | C21 | H29 | 52.5° | 55.0° |
| C20 | C29 | H38 | H39 | 120.0° | 120.0° |
| C20 | C29 | H38 | H40 | 120.0° | 120.0° |
| C20 | C29 | H39 | H40 | 120.0° | 120.0° |
| C21 | C22 | C23 | H30 | 120.2° | 120.0° |
| C21 | C22 | C23 | H31 | 120.2° | 120.0° |
| C21 | C22 | C23 | C24 | 178.7° | 180.0° |
| C22 | C21 | C20 | H27 | 50.7° | 55.0° |
| C22 | C21 | H28 | H29 | 118.3° | 120.0° |
| C21 | C22 | H30 | H31 | 119.5° | 120.1° |
| C21 | C22 | C23 | H32 | 58.7° | 60.0° |
| C21 | C22 | C23 | H33 | 61.2° | 60.0° |
| C22 | C23 | C24 | H32 | 120.0° | 120.1° |
| C22 | C23 | C24 | H33 | 120.0° | 120.1° |
| C22 | C23 | C24 | C25 | 169.4° | 64.9° |
| C22 | C23 | C24 | C26 | 65.3° | 175.0° |
| C23 | C22 | C21 | H28 | 62.8° | 60.0° |
| C23 | C22 | C21 | H29 | 178.3° | 60.0° |
| C23 | C22 | H30 | H31 | 119.5° | 119.9° |
| C22 | C23 | H32 | H33 | 119.9° | 120.0° |
| C22 | C23 | C24 | H34 | 52.0° | 55.0° |
| C23 | C24 | C25 | C26 | 123.7° | 120.0° |
| C23 | C24 | C25 | H34 | 117.3° | 119.9° |
| C23 | C24 | C26 | H34 | 117.4° | 120.0° |
| C23 | C24 | C26 | O27 | 116.0° | 0.0° |
| C23 | C24 | C26 | O28 | 65.0° | 180.0° |
| C24 | C23 | C22 | H30 | 61.1° | 60.0° |
| C24 | C23 | C22 | H31 | 58.6° | 60.0° |
| C24 | C23 | H32 | H33 | 119.9° | 119.9° |
| C23 | C24 | C25 | H35 | 180.0° | 60.1° |
| C23 | C24 | C25 | H36 | 60.0° | 59.9° |
| C23 | C24 | C25 | H37 | 60.0° | 180.0° |
| C25 | C24 | C26 | H34 | 119.3° | 120.0° |
| C25 | C24 | C26 | O27 | 120.7° | 120.0° |
| C25 | C24 | C26 | O28 | 58.3° | 60.0° |
| C25 | C24 | C23 | H32 | 70.6° | 175.0° |
| C25 | C24 | C23 | H33 | 49.3° | 55.1° |
| C24 | C25 | H35 | H36 | 120.0° | 120.0° |
| C24 | C25 | H35 | H37 | 120.0° | 119.9° |
| C24 | C25 | H36 | H37 | 120.0° | 120.0° |
| C24 | C26 | O27 | O28 | 179.0° | 179.9° |
| C26 | C24 | C23 | H32 | 54.8° | 55.0° |
| C26 | C24 | C23 | H33 | 174.7° | 64.9° |
| C26 | C24 | C25 | H35 | 56.3° | 60.0° |
| C26 | C24 | C25 | H36 | 63.7° | 180.0° |
| C26 | C24 | C25 | H37 | 176.3° | 60.0° |
| C24 | C26 | O28 | H42 | 179.0° | 180.0° |
| O27 | C26 | C24 | H34 | 1.4° | 119.9° |
| O27 | C26 | O28 | H42 | 0.0° | 0.1° |
| O28 | C26 | C24 | H34 | 177.6° | 60.0° |
| H1 | C03 | C04 | H3 | 45.7° | 56.5° |
| H1 | C03 | C04 | H4 | 73.2° | 175.0° |
| H2 | C03 | C04 | H3 | 163.7° | 64.4° |
| H2 | C03 | C04 | H4 | 44.8° | 54.0° |
| H5 | C06 | H6 | H7 | 120.0° | 120.0° |
| H8 | C08 | C09 | H10 | 58.2° | 55.9° |
| H8 | C08 | C09 | H11 | 178.0° | 175.6° |
| H9 | C08 | C09 | H10 | 62.2° | 64.9° |
| H9 | C08 | C09 | H11 | 57.7° | 54.8° |
| H10 | C09 | C10 | H12 | 66.0° | 62.7° |
| H11 | C09 | C10 | H12 | 174.2° | 177.6° |
| H12 | C10 | C11 | H13 | 179.6° | 176.7° |
| H12 | C10 | C16 | H21 | 175.8° | 175.3° |
| H13 | C11 | C12 | H14 | 58.6° | 54.5° |
| H13 | C11 | C12 | H15 | 177.8° | 173.3° |
| H14 | C12 | C13 | H16 | 54.3° | 58.6° |
| H14 | C12 | C13 | H17 | 64.8° | 62.5° |
| H15 | C12 | C13 | H16 | 173.5° | 177.5° |
| H15 | C12 | C13 | H17 | 54.4° | 56.4° |
| H18 | C15 | H19 | H20 | 120.0° | 120.0° |
| H21 | C16 | C17 | H22 | 165.1° | 165.7° |
| H21 | C16 | C17 | H23 | 43.4° | 42.4° |
| H22 | C17 | C18 | H24 | 15.4° | 24.8° |
| H22 | C17 | C18 | H25 | 136.1° | 146.4° |
| H23 | C17 | C18 | H24 | 106.2° | 98.5° |
| H23 | C17 | C18 | H25 | 14.5° | 23.1° |
| H24 | C18 | C19 | H26 | 135.3° | 125.0° |
| H25 | C18 | C19 | H26 | 14.5° | 3.5° |
| H26 | C19 | C20 | H27 | 173.7° | 176.2° |
| H27 | C20 | C21 | H28 | 69.8° | 65.0° |
| H27 | C20 | C21 | H29 | 171.3° | 175.0° |
| H27 | C20 | C29 | H38 | 53.5° | 56.4° |
| H27 | C20 | C29 | H39 | 173.5° | 63.7° |
| H27 | C20 | C29 | H40 | 66.6° | 176.4° |
| H28 | C21 | C22 | H30 | 57.3° | 180.0° |
| H28 | C21 | C22 | H31 | 177.0° | 60.0° |
| H29 | C21 | C22 | H30 | 61.6° | 60.0° |
| H29 | C21 | C22 | H31 | 58.1° | 180.0° |
| H30 | C22 | C23 | H32 | 178.9° | 180.0° |
| H30 | C22 | C23 | H33 | 59.0° | 60.1° |
| H31 | C22 | C23 | H32 | 61.5° | 60.0° |
| H31 | C22 | C23 | H33 | 178.6° | 180.0° |
| H32 | C23 | C24 | H34 | 172.0° | 65.0° |
| H33 | C23 | C24 | H34 | 68.0° | 175.1° |
| H34 | C24 | C25 | H35 | 62.8° | NaN° |
| H34 | C24 | C25 | H36 | 177.3° | 60.0° |
| H34 | C24 | C25 | H37 | 57.3° | 60.0° |
| H35 | C25 | H36 | H37 | 120.0° | 120.0° |
| H38 | C29 | H39 | H40 | 120.0° | 120.0° |
