A1JAX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C79 | O80 | sing | 1.43Å | 1.42Å | |
| C79 | C78 | sing | 1.53Å | 1.52Å | |
| C81 | C78 | sing | 1.53Å | 1.52Å | |
| O80 | C73 | sing | 1.42Å | 1.40Å | |
| C78 | C77 | sing | 1.53Å | 1.52Å | |
| C75 | C74 | sing | 1.53Å | 1.52Å | |
| C04 | O72 | sing | 1.44Å | 1.42Å | |
| C04 | C03 | sing | 1.56Å | 1.54Å | |
| C04 | C05 | sing | 1.55Å | 1.53Å | |
| C73 | O72 | sing | 1.44Å | 1.41Å | |
| C73 | C74 | sing | 1.54Å | 1.54Å | |
| C73 | C76 | sing | 1.53Å | 1.52Å | |
| C03 | C74 | sing | 1.54Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C77 | C76 | sing | 1.53Å | 1.52Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C06 | C02 | sing | 1.55Å | 1.53Å | |
| C06 | C07 | sing | 1.52Å | 1.52Å | |
| C15 | C07 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.50Å | 1.49Å | |
| C02 | C10 | sing | 1.52Å | 1.52Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.54Å | 1.54Å | |
| C10 | C09 | sing | 1.58Å | 1.53Å | |
| C14 | C13 | doub | 1.30Å | 1.33Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C08 | C11 | sing | 1.52Å | 1.55Å | |
| C13 | C11 | sing | 1.50Å | 1.52Å | |
| C13 | C16 | sing | 1.52Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C11 | C19 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | O20 | sing | 1.43Å | 1.41Å | |
| O20 | C21 | sing | 1.43Å | 1.41Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | 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 | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C74 | H31 | sing | 1.09Å | 1.10Å | |
| C75 | H32 | sing | 1.09Å | 1.10Å | |
| C75 | H33 | sing | 1.09Å | 1.10Å | |
| C75 | H34 | sing | 1.09Å | 1.10Å | |
| C76 | H35 | sing | 1.09Å | 1.10Å | |
| C76 | H36 | sing | 1.09Å | 1.10Å | |
| C77 | H37 | sing | 1.09Å | 1.10Å | |
| C77 | H38 | sing | 1.09Å | 1.10Å | |
| C78 | H39 | sing | 1.09Å | 1.10Å | |
| C79 | H40 | sing | 1.09Å | 1.10Å | |
| C79 | H41 | sing | 1.09Å | 1.10Å | |
| C81 | H42 | sing | 1.09Å | 1.10Å | |
| C81 | H43 | sing | 1.09Å | 1.10Å | |
| C81 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O80 | C79 | C78 | 112.7° | 109.4° |
| C79 | O80 | C73 | 115.4° | 114.3° |
| O80 | C79 | H40 | 108.6° | 109.5° |
| O80 | C79 | H41 | 108.6° | 109.5° |
| C79 | C78 | C81 | 110.6° | 109.5° |
| C79 | C78 | C77 | 109.3° | 109.2° |
| C79 | C78 | H39 | 108.4° | 109.5° |
| C78 | C79 | H40 | 108.7° | 109.5° |
| C78 | C79 | H41 | 108.7° | 109.5° |
| C81 | C78 | C77 | 111.7° | 109.5° |
| C81 | C78 | H39 | 108.4° | 109.5° |
| C78 | C81 | H42 | 109.5° | 109.4° |
| C78 | C81 | H43 | 109.4° | 109.5° |
| C78 | C81 | H44 | 109.5° | 109.5° |
| O80 | C73 | O72 | 109.9° | 110.4° |
| O80 | C73 | C74 | 108.1° | 110.1° |
| O80 | C73 | C76 | 110.8° | 110.7° |
| C78 | C77 | C76 | 110.4° | 109.0° |
| C78 | C77 | H37 | 109.2° | 109.6° |
| C78 | C77 | H38 | 109.2° | 109.7° |
| C77 | C78 | H39 | 108.4° | 109.5° |
| C75 | C74 | C73 | 115.2° | 110.5° |
| C75 | C74 | C03 | 114.3° | 110.5° |
| C75 | C74 | H31 | 107.7° | 110.6° |
| C74 | C75 | H32 | 109.5° | 109.5° |
| C74 | C75 | H33 | 109.5° | 109.4° |
| C74 | C75 | H34 | 109.5° | 109.5° |
| O72 | C04 | C03 | 104.9° | 104.6° |
| O72 | C04 | C05 | 113.2° | 108.4° |
| C04 | O72 | C73 | 108.3° | 105.7° |
| O72 | C04 | H5 | 111.6° | 112.1° |
| C03 | C04 | C05 | 107.0° | 106.2° |
| C04 | C03 | C74 | 104.0° | 103.9° |
| C04 | C03 | C02 | 103.7° | 102.9° |
| C04 | C03 | H4 | 109.4° | 113.9° |
| C03 | C04 | H5 | 109.8° | 112.1° |
| C04 | C05 | C06 | 102.5° | 106.0° |
| C05 | C04 | H5 | 110.0° | 112.9° |
| C04 | C05 | H6 | 111.2° | 110.3° |
| C04 | C05 | H7 | 111.2° | 110.3° |
| O72 | C73 | C74 | 106.1° | 105.4° |
| O72 | C73 | C76 | 108.7° | 110.1° |
| C74 | C73 | C76 | 113.2° | 109.9° |
| C73 | C74 | C03 | 104.3° | 104.2° |
| C73 | C74 | H31 | 107.4° | 110.5° |
| C73 | C76 | C77 | 112.2° | 109.2° |
| C73 | C76 | H35 | 108.8° | 109.5° |
| C73 | C76 | H36 | 108.8° | 109.5° |
| C74 | C03 | C02 | 120.1° | 109.4° |
| C74 | C03 | H4 | 109.5° | 112.9° |
| C03 | C74 | H31 | 107.6° | 110.5° |
| C03 | C02 | C06 | 98.8° | 102.6° |
| C03 | C02 | C10 | 115.1° | 115.8° |
| C03 | C02 | C01 | 112.1° | 110.4° |
| C02 | C03 | H4 | 109.4° | 113.0° |
| C77 | C76 | H35 | 108.8° | 109.5° |
| C77 | C76 | H36 | 108.8° | 109.5° |
| C76 | C77 | H37 | 109.2° | 109.5° |
| C76 | C77 | H38 | 109.2° | 109.5° |
| C05 | C06 | C02 | 103.4° | 103.0° |
| C05 | C06 | C07 | 119.5° | 116.4° |
| C06 | C05 | H6 | 111.2° | 110.6° |
| C06 | C05 | H7 | 111.2° | 109.4° |
| C05 | C06 | H8 | 105.8° | 109.7° |
| C02 | C06 | C07 | 115.5° | 108.7° |
| C06 | C02 | C10 | 108.0° | 106.8° |
| C06 | C02 | C01 | 112.3° | 110.5° |
| C02 | C06 | H8 | 105.7° | 108.8° |
| C06 | C07 | C15 | 109.9° | 109.7° |
| C06 | C07 | C08 | 109.3° | 107.7° |
| C07 | C06 | H8 | 105.8° | 109.8° |
| C06 | C07 | H9 | 109.5° | 110.2° |
| C07 | C15 | C14 | 112.5° | 109.1° |
| C15 | C07 | C08 | 109.5° | 108.1° |
| C15 | C07 | H9 | 109.5° | 110.9° |
| C07 | C15 | H19 | 108.7° | 109.5° |
| C07 | C15 | H20 | 108.7° | 109.5° |
| C15 | C14 | C13 | 124.7° | 123.0° |
| C15 | C14 | H18 | 117.6° | 118.5° |
| C14 | C15 | H19 | 108.7° | 109.5° |
| C14 | C15 | H20 | 108.7° | 109.6° |
| C10 | C02 | C01 | 110.1° | 110.3° |
| C02 | C10 | C09 | 111.2° | 105.8° |
| C02 | C10 | H13 | 109.0° | 109.9° |
| C02 | C10 | H14 | 109.0° | 109.9° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| C07 | C08 | C09 | 111.9° | 111.7° |
| C07 | C08 | C11 | 112.6° | 110.5° |
| C08 | C07 | H9 | 109.2° | 110.2° |
| C07 | C08 | H10 | 106.3° | 108.4° |
| C10 | C09 | C08 | 113.6° | 111.3° |
| C10 | C09 | H11 | 108.5° | 108.4° |
| C10 | C09 | H12 | 108.4° | 110.0° |
| C09 | C10 | H13 | 109.0° | 110.5° |
| C09 | C10 | H14 | 109.0° | 110.6° |
| C14 | C13 | C11 | 123.0° | 123.9° |
| C14 | C13 | C16 | 119.9° | 118.3° |
| C13 | C14 | H18 | 117.7° | 118.5° |
| C09 | C08 | C11 | 112.9° | 109.8° |
| C09 | C08 | H10 | 106.3° | 108.4° |
| C08 | C09 | H11 | 108.4° | 109.0° |
| C08 | C09 | H12 | 108.4° | 109.0° |
| C08 | C11 | C13 | 110.8° | 113.3° |
| C08 | C11 | C19 | 108.2° | 110.0° |
| C08 | C11 | C12 | 111.4° | 108.2° |
| C11 | C08 | H10 | 106.2° | 107.9° |
| C11 | C13 | C16 | 116.7° | 117.8° |
| C13 | C11 | C19 | 108.1° | 109.4° |
| C13 | C11 | C12 | 108.8° | 107.7° |
| C13 | C16 | C17 | 112.9° | 108.4° |
| C13 | C16 | H21 | 108.6° | 109.7° |
| C13 | C16 | H22 | 108.6° | 109.7° |
| C19 | C18 | C17 | 112.6° | 109.7° |
| C18 | C19 | C11 | 115.5° | 109.4° |
| C19 | C18 | H24 | 108.7° | 109.4° |
| C19 | C18 | H25 | 108.7° | 109.4° |
| C18 | C19 | H26 | 108.0° | 109.5° |
| C18 | C19 | H27 | 107.9° | 109.5° |
| C18 | C17 | C16 | 111.5° | 109.4° |
| C18 | C17 | O20 | 108.2° | 109.5° |
| C18 | C17 | H23 | 107.8° | 109.5° |
| C17 | C18 | H24 | 108.7° | 109.5° |
| C17 | C18 | H25 | 108.7° | 109.5° |
| C19 | C11 | C12 | 109.5° | 108.1° |
| C11 | C19 | H26 | 107.9° | 109.5° |
| C11 | C19 | H27 | 108.0° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C11 | C12 | H16 | 109.4° | 109.5° |
| C11 | C12 | H17 | 109.5° | 109.5° |
| C16 | C17 | O20 | 112.3° | 109.4° |
| C17 | C16 | H21 | 108.6° | 109.7° |
| C17 | C16 | H22 | 108.6° | 109.7° |
| C16 | C17 | H23 | 107.7° | 109.5° |
| C17 | O20 | C21 | 114.4° | 114.0° |
| O20 | C17 | H23 | 109.3° | 109.5° |
| O20 | C21 | H28 | 109.5° | 109.5° |
| O20 | C21 | H29 | 109.5° | 109.5° |
| O20 | C21 | H30 | 109.4° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H6 | C05 | H7 | 109.5° | 110.2° |
| H11 | C09 | H12 | 109.5° | 109.0° |
| H13 | C10 | H14 | 109.5° | 110.0° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H15 | C12 | H17 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.4° |
| H19 | C15 | H20 | 109.5° | 109.6° |
| H21 | C16 | H22 | 109.4° | 109.7° |
| H24 | C18 | H25 | 109.5° | 109.4° |
| H26 | C19 | H27 | 109.5° | 109.5° |
| H28 | C21 | H29 | 109.5° | 109.4° |
| H28 | C21 | H30 | 109.5° | 109.5° |
| H29 | C21 | H30 | 109.5° | 109.5° |
| H32 | C75 | H33 | 109.4° | 109.4° |
| H32 | C75 | H34 | 109.5° | 109.5° |
| H33 | C75 | H34 | 109.5° | 109.5° |
| H35 | C76 | H36 | 109.5° | 109.5° |
| H37 | C77 | H38 | 109.5° | 109.5° |
| H40 | C79 | H41 | 109.5° | 109.5° |
| H42 | C81 | H43 | 109.5° | 109.5° |
| H42 | C81 | H44 | 109.5° | 109.5° |
| H43 | C81 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O80 | C79 | C78 | H40 | 120.5° | 120.0° |
| O80 | C79 | C78 | H41 | 120.5° | 120.0° |
| O80 | C79 | C78 | C81 | 177.4° | 178.0° |
| O80 | C79 | C78 | C77 | 54.0° | 58.1° |
| C79 | O80 | C73 | O72 | 65.0° | 62.7° |
| C79 | O80 | C73 | C74 | 179.7° | 178.7° |
| C79 | O80 | C73 | C76 | 55.2° | 59.5° |
| O80 | C79 | C78 | H39 | 63.9° | 61.9° |
| O80 | C79 | H40 | H41 | 118.5° | 120.0° |
| C79 | C78 | C81 | C77 | 122.0° | 119.8° |
| C79 | C78 | C81 | H39 | 118.7° | 120.1° |
| C78 | C79 | O80 | C73 | 57.4° | 60.2° |
| C79 | C78 | C77 | H39 | 118.0° | 119.9° |
| C79 | C78 | C77 | C76 | 51.8° | 57.5° |
| C79 | C78 | C77 | H37 | 68.4° | 177.3° |
| C79 | C78 | C77 | H38 | 171.9° | 62.4° |
| C78 | C79 | H40 | H41 | 118.5° | 120.1° |
| C79 | C78 | C81 | H42 | 180.0° | 59.8° |
| C79 | C78 | C81 | H43 | 60.0° | 60.2° |
| C79 | C78 | C81 | H44 | 60.0° | 179.8° |
| C81 | C78 | C77 | H39 | 119.4° | 120.1° |
| C81 | C78 | C77 | C76 | 174.4° | 177.5° |
| C81 | C78 | C77 | H37 | 54.3° | 62.7° |
| C81 | C78 | C77 | H38 | 65.4° | 57.6° |
| C81 | C78 | C79 | H40 | 56.9° | 62.0° |
| C81 | C78 | C79 | H41 | 62.2° | 58.0° |
| C78 | C81 | H42 | H43 | 120.0° | 120.0° |
| C78 | C81 | H42 | H44 | 120.0° | 120.0° |
| C78 | C81 | H43 | H44 | 120.0° | 120.0° |
| O80 | C73 | C74 | C75 | 24.4° | 23.6° |
| O80 | C73 | O72 | C04 | 83.3° | 78.9° |
| O80 | C73 | O72 | C74 | 116.6° | 118.9° |
| O80 | C73 | O72 | C76 | 121.4° | 122.6° |
| O80 | C73 | C74 | C76 | 123.1° | 122.3° |
| O80 | C73 | C74 | C03 | 101.7° | 95.1° |
| O80 | C73 | C76 | C77 | 52.3° | 56.2° |
| O80 | C73 | C74 | H31 | 144.3° | 146.3° |
| O80 | C73 | C76 | H35 | 68.2° | 63.8° |
| O80 | C73 | C76 | H36 | 172.6° | 176.1° |
| C73 | O80 | C79 | H40 | 63.1° | 179.8° |
| C73 | O80 | C79 | H41 | 177.9° | 59.8° |
| C78 | C77 | C76 | C73 | 52.1° | 56.2° |
| C78 | C77 | C76 | H37 | 120.1° | 119.8° |
| C78 | C77 | C76 | H38 | 120.1° | 120.0° |
| C78 | C77 | C76 | H35 | 68.3° | 63.8° |
| C78 | C77 | C76 | H36 | 172.5° | 176.1° |
| C78 | C77 | H37 | H38 | 119.6° | 120.4° |
| C77 | C78 | C79 | H40 | 66.5° | 178.0° |
| C77 | C78 | C79 | H41 | 174.5° | 61.9° |
| C77 | C78 | C81 | H42 | 58.0° | 60.0° |
| C77 | C78 | C81 | H43 | 62.0° | 180.0° |
| C77 | C78 | C81 | H44 | 178.1° | 60.0° |
| C75 | C74 | C03 | C04 | 121.6° | 119.3° |
| C75 | C74 | C73 | O72 | 142.2° | 142.7° |
| C75 | C74 | C73 | C03 | 126.1° | 118.7° |
| C75 | C74 | C73 | H31 | 119.9° | 122.7° |
| C75 | C74 | C73 | C76 | 98.7° | 98.6° |
| C75 | C74 | C03 | H31 | 119.5° | 122.6° |
| C75 | C74 | C03 | C02 | 123.1° | 131.3° |
| C75 | C74 | C03 | H4 | 4.7° | 4.5° |
| C74 | C75 | H32 | H33 | 120.0° | 120.0° |
| C74 | C75 | H32 | H34 | 120.0° | 120.0° |
| C74 | C75 | H33 | H34 | 120.0° | 120.0° |
| O72 | C04 | C03 | C05 | 120.5° | 114.5° |
| O72 | C04 | C03 | H5 | 120.1° | 121.7° |
| O72 | C04 | C05 | H5 | 125.6° | 124.8° |
| C04 | O72 | C73 | C74 | 33.3° | 40.0° |
| C04 | O72 | C73 | C76 | 155.3° | 158.6° |
| O72 | C04 | C03 | C74 | 24.3° | 22.8° |
| O72 | C04 | C03 | C02 | 102.1° | 91.3° |
| O72 | C04 | C05 | C06 | 127.1° | 115.4° |
| O72 | C04 | C03 | H4 | 141.2° | 146.0° |
| O72 | C04 | C05 | H6 | 114.0° | 124.9° |
| O72 | C04 | C05 | H7 | 8.2° | 2.9° |
| C03 | C04 | C05 | H5 | 119.3° | 123.3° |
| C03 | C04 | O72 | C73 | 36.5° | 39.3° |
| C04 | C03 | C74 | C73 | 5.0° | 0.6° |
| C04 | C03 | C74 | C02 | 115.3° | 109.3° |
| C04 | C03 | C74 | H4 | 116.9° | 123.8° |
| C04 | C03 | C02 | H4 | 116.7° | 123.2° |
| C03 | C04 | C05 | C06 | 12.0° | 3.4° |
| C04 | C03 | C02 | C06 | 40.9° | 40.7° |
| C04 | C03 | C02 | C10 | 155.6° | 156.6° |
| C04 | C03 | C02 | C01 | 77.6° | 77.1° |
| C03 | C04 | C05 | H6 | 130.9° | 123.1° |
| C03 | C04 | C05 | H7 | 106.8° | 114.9° |
| C04 | C03 | C74 | H31 | 118.9° | 118.0° |
| C05 | C04 | O72 | C73 | 152.8° | 152.2° |
| C05 | C04 | C03 | C74 | 144.8° | 137.3° |
| C05 | C04 | C03 | C02 | 18.4° | 23.2° |
| C04 | C05 | C06 | H6 | 118.9° | 119.5° |
| C04 | C05 | C06 | H7 | 118.9° | 118.9° |
| C04 | C05 | C06 | C02 | 38.6° | 28.4° |
| C04 | C05 | C06 | C07 | 168.6° | 147.3° |
| C05 | C04 | C03 | H4 | 98.3° | 99.5° |
| C04 | C05 | H6 | H7 | 123.3° | 122.0° |
| C04 | C05 | C06 | H8 | 72.3° | 87.3° |
| O72 | C73 | C74 | C76 | 119.1° | 118.7° |
| O72 | C73 | C74 | C03 | 16.1° | 24.0° |
| O72 | C73 | C76 | C77 | 68.6° | 66.2° |
| C73 | O72 | C04 | H5 | 82.5° | 82.5° |
| O72 | C73 | C74 | H31 | 97.9° | 94.6° |
| O72 | C73 | C76 | H35 | 171.0° | 173.8° |
| O72 | C73 | C76 | H36 | 51.8° | 53.7° |
| C73 | C74 | C03 | H31 | 113.9° | 118.7° |
| C73 | C74 | C03 | C02 | 110.3° | 110.0° |
| C74 | C73 | C76 | C77 | 173.8° | 178.1° |
| C73 | C74 | C03 | H4 | 121.9° | 123.2° |
| C73 | C74 | C75 | H32 | 180.0° | 174.8° |
| C73 | C74 | C75 | H33 | 60.0° | 65.2° |
| C73 | C74 | C75 | H34 | 60.0° | 54.8° |
| C74 | C73 | C76 | H35 | 53.4° | 58.1° |
| C74 | C73 | C76 | H36 | 65.8° | 62.0° |
| C76 | C73 | C74 | C03 | 135.2° | 142.7° |
| C73 | C76 | C77 | H35 | 120.4° | 120.0° |
| C73 | C76 | C77 | H36 | 120.4° | 119.9° |
| C76 | C73 | C74 | H31 | 21.2° | 24.0° |
| C73 | C76 | H35 | H36 | 118.7° | 120.1° |
| C73 | C76 | C77 | H37 | 68.0° | 176.0° |
| C73 | C76 | C77 | H38 | 172.3° | 63.8° |
| C74 | C03 | C02 | H4 | 127.9° | 126.8° |
| C74 | C03 | C02 | C06 | 156.3° | 150.6° |
| C74 | C03 | C02 | C10 | 89.0° | 93.4° |
| C74 | C03 | C02 | C01 | 37.8° | 32.9° |
| C74 | C03 | C04 | H5 | 95.8° | 98.9° |
| C03 | C74 | C75 | H32 | 59.3° | 60.0° |
| C03 | C74 | C75 | H33 | 179.2° | 180.0° |
| C03 | C74 | C75 | H34 | 60.7° | 60.0° |
| C03 | C02 | C06 | C05 | 49.6° | 43.3° |
| C03 | C02 | C06 | C10 | 120.1° | 122.2° |
| C03 | C02 | C06 | C01 | 118.3° | 117.8° |
| C03 | C02 | C06 | C07 | 177.9° | 167.4° |
| C03 | C02 | C10 | C01 | 127.8° | 126.3° |
| C03 | C02 | C10 | C09 | 164.3° | 178.5° |
| C03 | C02 | C01 | H1 | 180.0° | 164.5° |
| C03 | C02 | C01 | H2 | 60.0° | 44.5° |
| C03 | C02 | C01 | H3 | 60.0° | 75.4° |
| C02 | C03 | C04 | H5 | 137.8° | 147.0° |
| C03 | C02 | C06 | H8 | 61.3° | 73.1° |
| C03 | C02 | C10 | H13 | 75.4° | 62.1° |
| C03 | C02 | C10 | H14 | 44.0° | 59.1° |
| C02 | C03 | C74 | H31 | 3.6° | 8.7° |
| C77 | C76 | H35 | H36 | 118.7° | 120.1° |
| C76 | C77 | H37 | H38 | 119.6° | 120.2° |
| C76 | C77 | C78 | H39 | 66.2° | 62.5° |
| C05 | C06 | C02 | C07 | 132.4° | 124.1° |
| C05 | C06 | C02 | H8 | 110.9° | 116.4° |
| C05 | C06 | C07 | H8 | 119.0° | 125.4° |
| C05 | C06 | C07 | C15 | 60.0° | 63.6° |
| C05 | C06 | C02 | C10 | 169.8° | 165.5° |
| C05 | C06 | C02 | C01 | 68.7° | 74.5° |
| C05 | C06 | C07 | C08 | 179.8° | 179.0° |
| C06 | C05 | C04 | H5 | 107.2° | 119.9° |
| C06 | C05 | H6 | H7 | 123.2° | 121.1° |
| C05 | C06 | C07 | H9 | 60.2° | 58.8° |
| C02 | C06 | C07 | H8 | 116.6° | 118.9° |
| C02 | C06 | C07 | C15 | 175.5° | 179.3° |
| C06 | C02 | C10 | C01 | 122.9° | 120.1° |
| C02 | C06 | C07 | C08 | 55.4° | 63.3° |
| C06 | C02 | C10 | C09 | 55.1° | 65.0° |
| C06 | C02 | C01 | H1 | 69.9° | 51.7° |
| C06 | C02 | C01 | H2 | 50.1° | 68.3° |
| C06 | C02 | C01 | H3 | 170.1° | 171.7° |
| C06 | C02 | C03 | H4 | 75.8° | 82.6° |
| C02 | C06 | C05 | H6 | 157.5° | 147.9° |
| C02 | C06 | C05 | H7 | 80.3° | 90.5° |
| C02 | C06 | C07 | H9 | 64.2° | 56.9° |
| C06 | C02 | C10 | H13 | 175.3° | 175.7° |
| C06 | C02 | C10 | H14 | 65.2° | 54.5° |
| C06 | C07 | C15 | C08 | 120.1° | 117.2° |
| C06 | C07 | C15 | H9 | 120.3° | 121.9° |
| C06 | C07 | C15 | C14 | 164.4° | 173.4° |
| C07 | C06 | C02 | C10 | 57.8° | 70.4° |
| C07 | C06 | C02 | C01 | 63.7° | 49.6° |
| C06 | C07 | C08 | H9 | 119.8° | 120.2° |
| C06 | C07 | C08 | C09 | 50.3° | 56.1° |
| C06 | C07 | C08 | C11 | 178.7° | 178.7° |
| C07 | C06 | C05 | H6 | 72.5° | 93.2° |
| C07 | C06 | C05 | H7 | 49.8° | 28.4° |
| C06 | C07 | C08 | H10 | 65.4° | 63.2° |
| C06 | C07 | C15 | H19 | 43.9° | 53.6° |
| C06 | C07 | C15 | H20 | 75.2° | 66.6° |
| C07 | C15 | C14 | H19 | 120.4° | 119.8° |
| C07 | C15 | C14 | H20 | 120.4° | 119.9° |
| C15 | C07 | C08 | H9 | 119.8° | 121.4° |
| C07 | C15 | C14 | C13 | 11.1° | 26.6° |
| C15 | C07 | C08 | C09 | 170.7° | 174.5° |
| C15 | C07 | C08 | C11 | 60.8° | 62.9° |
| C15 | C07 | C06 | H8 | 59.0° | 61.8° |
| C15 | C07 | C08 | H10 | 55.0° | 55.2° |
| C07 | C15 | C14 | H18 | 168.9° | 153.4° |
| C07 | C15 | H19 | H20 | 118.6° | 120.1° |
| C14 | C15 | C07 | C08 | 44.3° | 56.3° |
| C15 | C14 | C13 | H18 | 180.0° | 180.0° |
| C15 | C14 | C13 | C11 | 8.9° | 0.3° |
| C15 | C14 | C13 | C16 | 178.5° | 179.6° |
| C14 | C15 | C07 | H9 | 75.4° | 64.6° |
| C14 | C15 | H19 | H20 | 118.6° | 120.2° |
| C02 | C10 | C09 | H13 | 120.3° | 118.9° |
| C02 | C10 | C09 | H14 | 120.3° | 119.0° |
| C02 | C10 | C09 | C08 | 55.3° | 58.9° |
| C10 | C02 | C01 | H1 | 50.5° | 66.2° |
| C10 | C02 | C01 | H2 | 170.5° | 173.8° |
| C10 | C02 | C01 | H3 | 69.5° | 53.8° |
| C10 | C02 | C03 | H4 | 38.9° | 33.4° |
| C10 | C02 | C06 | H8 | 58.8° | 49.1° |
| C02 | C10 | C09 | H11 | 65.3° | 178.8° |
| C02 | C10 | C09 | H12 | 175.9° | 62.1° |
| C02 | C10 | H13 | H14 | 119.2° | 121.1° |
| C01 | C02 | C10 | C09 | 67.9° | 55.2° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 165.7° | 159.7° |
| C01 | C02 | C06 | H8 | 179.6° | 169.1° |
| C01 | C02 | C10 | H13 | 52.4° | 64.2° |
| C01 | C02 | C10 | H14 | 171.9° | 174.6° |
| C07 | C08 | C09 | C10 | 52.4° | 54.9° |
| C07 | C08 | C09 | C11 | 128.3° | 123.0° |
| C07 | C08 | C09 | H10 | 115.6° | 119.4° |
| C07 | C08 | C11 | H10 | 115.9° | 118.3° |
| C07 | C08 | C11 | C13 | 41.2° | 36.6° |
| C07 | C08 | C11 | C19 | 159.5° | 159.4° |
| C07 | C08 | C11 | C12 | 80.1° | 82.7° |
| C08 | C07 | C06 | H8 | 61.2° | 55.6° |
| C07 | C08 | C09 | H11 | 68.2° | 174.4° |
| C07 | C08 | C09 | H12 | 173.0° | 66.6° |
| C08 | C07 | C15 | H19 | 76.2° | 63.6° |
| C08 | C07 | C15 | H20 | 164.7° | 176.3° |
| C10 | C09 | C08 | H11 | 120.6° | 119.5° |
| C10 | C09 | C08 | H12 | 120.6° | 121.6° |
| C10 | C09 | C08 | C11 | 179.3° | 177.9° |
| C10 | C09 | C08 | H10 | 63.3° | 64.5° |
| C10 | C09 | H11 | H12 | 118.1° | 119.7° |
| C09 | C10 | H13 | H14 | 119.2° | 122.4° |
| C14 | C13 | C11 | C08 | 6.6° | 5.4° |
| C14 | C13 | C11 | C16 | 172.8° | 179.9° |
| C14 | C13 | C11 | C19 | 125.0° | 128.5° |
| C14 | C13 | C11 | C12 | 116.1° | 114.2° |
| C14 | C13 | C16 | C17 | 119.9° | 128.2° |
| C13 | C14 | C15 | H19 | 109.3° | 93.3° |
| C13 | C14 | C15 | H20 | 131.6° | 146.5° |
| C14 | C13 | C16 | H21 | 0.7° | 8.5° |
| C14 | C13 | C16 | H22 | 119.6° | 112.0° |
| C09 | C08 | C11 | H10 | 116.1° | 117.9° |
| C09 | C08 | C11 | C13 | 169.1° | 160.4° |
| C09 | C08 | C11 | C19 | 72.6° | 76.8° |
| C09 | C08 | C11 | C12 | 47.9° | 41.1° |
| C09 | C08 | C07 | H9 | 69.5° | 64.1° |
| C08 | C09 | H11 | H12 | 118.1° | 118.9° |
| C08 | C09 | C10 | H13 | 175.5° | 177.8° |
| C08 | C09 | C10 | H14 | 65.0° | 60.1° |
| C08 | C11 | C13 | C19 | 118.4° | 123.2° |
| C08 | C11 | C13 | C12 | 122.7° | 119.6° |
| C08 | C11 | C13 | C16 | 166.2° | 174.5° |
| C08 | C11 | C19 | C18 | 114.6° | 179.4° |
| C08 | C11 | C19 | C12 | 121.6° | 118.0° |
| C11 | C08 | C07 | H9 | 59.0° | 58.5° |
| C11 | C08 | C09 | H11 | 60.1° | 62.6° |
| C11 | C08 | C09 | H12 | 58.7° | 56.3° |
| C08 | C11 | C12 | H15 | 180.0° | 60.0° |
| C08 | C11 | C12 | H16 | 60.0° | 179.9° |
| C08 | C11 | C12 | H17 | 60.0° | 60.0° |
| C08 | C11 | C19 | H26 | 6.3° | 60.6° |
| C08 | C11 | C19 | H27 | 124.6° | 59.4° |
| C13 | C11 | C19 | C18 | 5.4° | 54.3° |
| C13 | C11 | C19 | C12 | 118.4° | 116.9° |
| C11 | C13 | C16 | C17 | 53.2° | 51.7° |
| C13 | C11 | C08 | H10 | 74.8° | 81.7° |
| C13 | C11 | C12 | H15 | 57.7° | 177.2° |
| C13 | C11 | C12 | H16 | 62.3° | 57.1° |
| C13 | C11 | C12 | H17 | 177.6° | 62.8° |
| C11 | C13 | C14 | H18 | 171.1° | 179.7° |
| C11 | C13 | C16 | H21 | 173.7° | 171.3° |
| C11 | C13 | C16 | H22 | 67.4° | 68.1° |
| C13 | C11 | C19 | H26 | 126.3° | 174.3° |
| C13 | C11 | C19 | H27 | 115.4° | 65.7° |
| C13 | C16 | C17 | C18 | 1.9° | 55.3° |
| C16 | C13 | C11 | C19 | 47.8° | 51.3° |
| C16 | C13 | C11 | C12 | 71.1° | 65.9° |
| C13 | C16 | C17 | H21 | 120.6° | 119.7° |
| C13 | C16 | C17 | H22 | 120.5° | 119.8° |
| C13 | C16 | C17 | O20 | 123.5° | 175.3° |
| C16 | C13 | C14 | H18 | 1.5° | 0.5° |
| C13 | C16 | H21 | H22 | 118.4° | 120.6° |
| C13 | C16 | C17 | H23 | 116.1° | 64.7° |
| C19 | C18 | C17 | H24 | 120.4° | 120.0° |
| C19 | C18 | C17 | H25 | 120.5° | 120.1° |
| C18 | C19 | C11 | H26 | 120.9° | 120.0° |
| C18 | C19 | C11 | H27 | 120.9° | 119.9° |
| C18 | C19 | C11 | C12 | 123.9° | 62.6° |
| C19 | C18 | C17 | C16 | 48.6° | 63.7° |
| C19 | C18 | C17 | O20 | 75.4° | 176.4° |
| C19 | C18 | C17 | H23 | 166.6° | 56.3° |
| C19 | C18 | H24 | H25 | 118.6° | 119.8° |
| C18 | C19 | H26 | H27 | 117.3° | 120.0° |
| C17 | C18 | C19 | C11 | 54.0° | 62.8° |
| C18 | C17 | C16 | O20 | 121.6° | 120.0° |
| C18 | C17 | C16 | H23 | 118.1° | 120.0° |
| C18 | C17 | O20 | H23 | 117.1° | 120.0° |
| C18 | C17 | O20 | C21 | 143.8° | 150.0° |
| C18 | C17 | C16 | H21 | 122.5° | 174.9° |
| C18 | C17 | C16 | H22 | 118.6° | 64.5° |
| C17 | C18 | H24 | H25 | 118.5° | 119.9° |
| C17 | C18 | C19 | H26 | 174.8° | 177.2° |
| C17 | C18 | C19 | H27 | 66.9° | 57.2° |
| C19 | C11 | C08 | H10 | 43.6° | 41.1° |
| C19 | C11 | C12 | H15 | 60.3° | 59.2° |
| C19 | C11 | C12 | H16 | 179.7° | 60.9° |
| C19 | C11 | C12 | H17 | 59.7° | 179.1° |
| C11 | C19 | C18 | H24 | 174.4° | 177.2° |
| C11 | C19 | C18 | H25 | 66.5° | 57.4° |
| C11 | C19 | H26 | H27 | 117.3° | 120.0° |
| C12 | C11 | C08 | H10 | 164.0° | 159.0° |
| C11 | C12 | H15 | H16 | 120.0° | 120.1° |
| C11 | C12 | H15 | H17 | 120.0° | 120.0° |
| C11 | C12 | H16 | H17 | 120.0° | 120.0° |
| C12 | C11 | C19 | H26 | 115.3° | 57.3° |
| C12 | C11 | C19 | H27 | 3.0° | 177.4° |
| C16 | C17 | O20 | H23 | 119.4° | 120.0° |
| C16 | C17 | O20 | C21 | 92.8° | 90.0° |
| C17 | C16 | H21 | H22 | 118.4° | 120.6° |
| C16 | C17 | C18 | H24 | 169.0° | 176.3° |
| C16 | C17 | C18 | H25 | 71.9° | 56.4° |
| O20 | C17 | C16 | H21 | 115.9° | 65.1° |
| O20 | C17 | C16 | H22 | 3.0° | 55.5° |
| O20 | C17 | C18 | H24 | 45.0° | 56.3° |
| O20 | C17 | C18 | H25 | 164.1° | 63.6° |
| C17 | O20 | C21 | H28 | 180.0° | 180.0° |
| C17 | O20 | C21 | H29 | 60.0° | 60.0° |
| C17 | O20 | C21 | H30 | 60.0° | 60.0° |
| C21 | O20 | C17 | H23 | 26.7° | 30.0° |
| O20 | C21 | H28 | H29 | 120.0° | 120.0° |
| O20 | C21 | H28 | H30 | 120.0° | 120.0° |
| O20 | C21 | H29 | H30 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | C04 | H5 | 21.1° | 24.3° |
| H4 | C03 | C74 | H31 | 124.3° | 118.1° |
| H5 | C04 | C05 | H6 | 11.6° | 0.2° |
| H5 | C04 | C05 | H7 | 133.9° | 121.8° |
| H6 | C05 | C06 | H8 | 46.6° | 32.2° |
| H7 | C05 | C06 | H8 | 168.8° | 153.8° |
| H8 | C06 | C07 | H9 | 179.2° | 175.8° |
| H9 | C07 | C08 | H10 | 174.8° | 176.5° |
| H9 | C07 | C15 | H19 | 164.2° | 175.5° |
| H9 | C07 | C15 | H20 | 45.1° | 55.4° |
| H10 | C08 | C09 | H11 | 176.1° | 55.1° |
| H10 | C08 | C09 | H12 | 57.3° | 174.0° |
| H11 | C09 | C10 | H13 | 54.9° | 62.3° |
| H11 | C09 | C10 | H14 | 174.4° | 59.8° |
| H12 | C09 | C10 | H13 | 63.9° | 56.8° |
| H12 | C09 | C10 | H14 | 55.6° | 178.9° |
| H15 | C12 | H16 | H17 | 120.0° | 120.0° |
| H18 | C14 | C15 | H19 | 70.6° | 86.8° |
| H18 | C14 | C15 | H20 | 48.5° | 33.5° |
| H21 | C16 | C17 | H23 | 4.4° | 54.9° |
| H22 | C16 | C17 | H23 | 123.3° | 175.5° |
| H23 | C17 | C18 | H24 | 73.0° | 63.7° |
| H23 | C17 | C18 | H25 | 46.1° | 176.4° |
| H24 | C18 | C19 | H26 | 64.7° | 57.1° |
| H24 | C18 | C19 | H27 | 53.5° | 62.9° |
| H25 | C18 | C19 | H26 | 54.4° | 62.7° |
| H25 | C18 | C19 | H27 | 172.6° | 177.3° |
| H28 | C21 | H29 | H30 | 120.0° | 120.0° |
| H31 | C74 | C75 | H32 | 60.2° | 62.6° |
| H31 | C74 | C75 | H33 | 59.8° | 57.4° |
| H31 | C74 | C75 | H34 | 179.8° | 177.4° |
| H32 | C75 | H33 | H34 | 120.0° | 120.1° |
| H35 | C76 | C77 | H37 | 171.6° | 56.0° |
| H35 | C76 | C77 | H38 | 51.9° | 176.2° |
| H36 | C76 | C77 | H37 | 52.4° | 64.1° |
| H36 | C76 | C77 | H38 | 67.3° | 56.1° |
| H37 | C77 | C78 | H39 | 173.7° | 57.4° |
| H38 | C77 | C78 | H39 | 54.0° | 177.6° |
| H39 | C78 | C79 | H40 | 175.6° | 58.1° |
| H39 | C78 | C79 | H41 | 56.5° | 178.1° |
| H39 | C78 | C81 | H42 | 61.3° | 179.9° |
| H39 | C78 | C81 | H43 | 178.7° | 59.9° |
| H39 | C78 | C81 | H44 | 58.7° | 60.1° |
| H42 | C81 | H43 | H44 | 120.0° | 120.0° |
