IV5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C02 | O04 | sing | 1.43Å | 1.41Å | |
| C02 | C05 | sing | 1.53Å | 1.57Å | |
| C05 | C06 | sing | 1.53Å | 1.56Å | |
| C06 | C07 | sing | 1.53Å | 1.56Å | |
| C24 | C22 | sing | 1.53Å | 1.55Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | O25 | sing | 1.43Å | 1.40Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| C07 | C08 | sing | 1.53Å | 1.55Å | |
| C20 | C19 | sing | 1.53Å | 1.56Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C08 | C09 | sing | 1.53Å | 1.55Å | |
| C36 | C35 | doub | 1.33Å | 1.33Å | |
| C19 | C18 | sing | 1.53Å | 1.56Å | |
| C32 | C30 | sing | 1.53Å | 1.30Å | |
| C32 | C33 | sing | 1.53Å | 1.66Å | |
| C35 | C28 | sing | 1.48Å | 1.58Å | |
| C35 | C33 | sing | 1.52Å | 1.39Å | |
| C29 | C28 | sing | 1.52Å | 1.42Å | |
| C29 | C30 | sing | 1.53Å | 1.66Å | |
| C18 | C17 | sing | 1.53Å | 1.55Å | |
| O34 | C33 | sing | 1.43Å | 1.40Å | |
| C28 | C27 | doub | 1.35Å | 1.33Å | |
| C30 | O31 | sing | 1.43Å | 1.49Å | |
| C17 | C16 | sing | 1.51Å | 1.58Å | |
| C09 | C10 | sing | 1.51Å | 1.57Å | |
| C27 | C26 | sing | 1.41Å | 1.55Å | |
| C15 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C26 | doub | 1.35Å | 1.34Å | |
| C16 | C14 | sing | 1.47Å | 1.60Å | |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C03 | H17 | sing | 1.09Å | 1.10Å | |
| C03 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C05 | H20 | sing | 1.09Å | 1.10Å | |
| C06 | H21 | sing | 1.09Å | 1.10Å | |
| C06 | H22 | sing | 1.09Å | 1.10Å | |
| C07 | H23 | sing | 1.09Å | 1.10Å | |
| C07 | H24 | sing | 1.09Å | 1.10Å | |
| C08 | H25 | sing | 1.09Å | 1.10Å | |
| C08 | H26 | sing | 1.09Å | 1.10Å | |
| C09 | H27 | sing | 1.09Å | 1.10Å | |
| C09 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.08Å | 1.08Å | |
| C12 | H30 | sing | 1.08Å | 1.08Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.08Å | 1.08Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C36 | H45 | sing | 1.08Å | 1.08Å | |
| C36 | H46 | sing | 1.08Å | 1.08Å | |
| O04 | H47 | sing | 0.97Å | 0.95Å | |
| O25 | H48 | sing | 0.97Å | 0.95Å | |
| O31 | H49 | sing | 0.97Å | 0.95Å | |
| O34 | H50 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C01 | 108.6° | 109.5° |
| C03 | C02 | O04 | 111.4° | 109.5° |
| C03 | C02 | C05 | 108.0° | 109.4° |
| C02 | C03 | H16 | 109.5° | 109.5° |
| C02 | C03 | H17 | 109.5° | 109.5° |
| C02 | C03 | H18 | 109.5° | 109.4° |
| C01 | C02 | O04 | 109.1° | 109.5° |
| C01 | C02 | C05 | 110.1° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.4° |
| C02 | C01 | H14 | 109.5° | 109.5° |
| C02 | C01 | H15 | 109.5° | 109.5° |
| O04 | C02 | C05 | 109.6° | 109.5° |
| C02 | O04 | H47 | 109.5° | 114.0° |
| C02 | C05 | C06 | 110.8° | 109.5° |
| C02 | C05 | H19 | 109.2° | 109.5° |
| C02 | C05 | H20 | 109.1° | 109.5° |
| C05 | C06 | C07 | 111.8° | 109.4° |
| C06 | C05 | H19 | 109.1° | 109.5° |
| C06 | C05 | H20 | 109.1° | 109.4° |
| C05 | C06 | H21 | 108.9° | 109.5° |
| C05 | C06 | H22 | 108.9° | 109.4° |
| C06 | C07 | C08 | 112.2° | 109.5° |
| C07 | C06 | H21 | 108.9° | 109.5° |
| C07 | C06 | H22 | 108.9° | 109.5° |
| C06 | C07 | H23 | 108.8° | 109.5° |
| C06 | C07 | H24 | 108.8° | 109.5° |
| C24 | C22 | C23 | 109.0° | 109.5° |
| C24 | C22 | O25 | 108.9° | 109.4° |
| C24 | C22 | C21 | 110.4° | 109.5° |
| C22 | C24 | H9 | 109.5° | 109.4° |
| C22 | C24 | H10 | 109.5° | 109.4° |
| C22 | C24 | H11 | 109.4° | 109.5° |
| C23 | C22 | O25 | 112.1° | 109.4° |
| C23 | C22 | C21 | 107.7° | 109.5° |
| C22 | C23 | H35 | 109.5° | 109.5° |
| C22 | C23 | H36 | 109.5° | 109.4° |
| C22 | C23 | H37 | 109.5° | 109.4° |
| O25 | C22 | C21 | 108.8° | 109.5° |
| C22 | O25 | H48 | 109.5° | 114.0° |
| C22 | C21 | C20 | 110.3° | 109.5° |
| C22 | C21 | H7 | 109.3° | 109.5° |
| C22 | C21 | H8 | 109.2° | 109.5° |
| C07 | C08 | C09 | 110.9° | 109.5° |
| C08 | C07 | H23 | 108.8° | 109.4° |
| C08 | C07 | H24 | 108.8° | 109.4° |
| C07 | C08 | H25 | 109.1° | 109.4° |
| C07 | C08 | H26 | 109.1° | 109.4° |
| C19 | C20 | C21 | 113.1° | 109.5° |
| C20 | C19 | C18 | 108.9° | 109.5° |
| C19 | C20 | H5 | 108.6° | 109.4° |
| C19 | C20 | H6 | 108.6° | 109.4° |
| C20 | C19 | H33 | 109.6° | 109.5° |
| C20 | C19 | H34 | 109.6° | 109.5° |
| C21 | C20 | H5 | 108.5° | 109.5° |
| C21 | C20 | H6 | 108.6° | 109.5° |
| C20 | C21 | H7 | 109.3° | 109.5° |
| C20 | C21 | H8 | 109.3° | 109.5° |
| C08 | C09 | C10 | 109.8° | 109.5° |
| C09 | C08 | H25 | 109.1° | 109.5° |
| C09 | C08 | H26 | 109.1° | 109.5° |
| C08 | C09 | H27 | 109.4° | 109.4° |
| C08 | C09 | H28 | 109.4° | 109.4° |
| C36 | C35 | C28 | 121.8° | 121.6° |
| C36 | C35 | C33 | 121.3° | 121.8° |
| C35 | C36 | H45 | 120.0° | 120.0° |
| C35 | C36 | H46 | 120.0° | 120.1° |
| C19 | C18 | C17 | 115.7° | 109.5° |
| C19 | C18 | H31 | 107.9° | 109.4° |
| C19 | C18 | H32 | 107.9° | 109.5° |
| C18 | C19 | H33 | 109.6° | 109.5° |
| C18 | C19 | H34 | 109.6° | 109.4° |
| C30 | C32 | C33 | 107.2° | 109.8° |
| C32 | C30 | C29 | 112.6° | 109.8° |
| C32 | C30 | O31 | 109.3° | 109.4° |
| C32 | C30 | H41 | 112.1° | 109.4° |
| C30 | C32 | H42 | 110.0° | 109.4° |
| C30 | C32 | H43 | 110.1° | 109.4° |
| C32 | C33 | C35 | 109.9° | 108.3° |
| C32 | C33 | O34 | 110.0° | 109.7° |
| C33 | C32 | H42 | 110.0° | 109.4° |
| C33 | C32 | H43 | 110.0° | 109.4° |
| C32 | C33 | H44 | 106.4° | 109.7° |
| C28 | C35 | C33 | 114.8° | 116.6° |
| C35 | C28 | C29 | 117.2° | 116.8° |
| C35 | C28 | C27 | 121.8° | 121.6° |
| C35 | C33 | O34 | 111.3° | 109.9° |
| C35 | C33 | H44 | 109.7° | 109.6° |
| C28 | C29 | C30 | 113.1° | 108.4° |
| C29 | C28 | C27 | 120.0° | 121.6° |
| C28 | C29 | H39 | 108.6° | 109.7° |
| C28 | C29 | H40 | 108.5° | 109.6° |
| C29 | C30 | O31 | 106.5° | 109.4° |
| C30 | C29 | H39 | 108.5° | 109.7° |
| C30 | C29 | H40 | 108.6° | 109.7° |
| C29 | C30 | H41 | 107.1° | 109.4° |
| C18 | C17 | C16 | 115.0° | 109.5° |
| C18 | C17 | H3 | 108.1° | 109.5° |
| C18 | C17 | H4 | 108.1° | 109.5° |
| C17 | C18 | H31 | 107.9° | 109.5° |
| C17 | C18 | H32 | 107.9° | 109.5° |
| O34 | C33 | H44 | 109.5° | 109.7° |
| C33 | O34 | H50 | 109.5° | 114.0° |
| C28 | C27 | C26 | 119.8° | 120.0° |
| C28 | C27 | H38 | 120.1° | 120.0° |
| O31 | C30 | H41 | 109.2° | 109.4° |
| C30 | O31 | H49 | 109.5° | 114.0° |
| C17 | C16 | C26 | 115.4° | 120.0° |
| C17 | C16 | C14 | 127.3° | 120.0° |
| C16 | C17 | H3 | 108.0° | 109.4° |
| C16 | C17 | H4 | 108.1° | 109.4° |
| C09 | C10 | C15 | 119.9° | 119.9° |
| C09 | C10 | C11 | 120.4° | 119.9° |
| C10 | C09 | H27 | 109.4° | 109.5° |
| C10 | C09 | H28 | 109.4° | 109.5° |
| C27 | C26 | C16 | 119.9° | 120.0° |
| C27 | C26 | H12 | 120.0° | 120.0° |
| C26 | C27 | H38 | 120.1° | 120.0° |
| C10 | C15 | C14 | 122.3° | 119.8° |
| C15 | C10 | C11 | 119.7° | 120.2° |
| C10 | C15 | H2 | 118.8° | 120.1° |
| C15 | C14 | C16 | 124.9° | 120.2° |
| C15 | C14 | C13 | 117.1° | 119.7° |
| C14 | C15 | H2 | 118.8° | 120.1° |
| C26 | C16 | C14 | 117.3° | 120.0° |
| C16 | C26 | H12 | 120.1° | 120.0° |
| C16 | C14 | C13 | 117.9° | 120.1° |
| C10 | C11 | C12 | 118.6° | 120.4° |
| C10 | C11 | H29 | 120.7° | 119.8° |
| C14 | C13 | C12 | 120.9° | 119.8° |
| C14 | C13 | H1 | 119.5° | 120.2° |
| C11 | C12 | C13 | 121.3° | 120.1° |
| C12 | C11 | H29 | 120.7° | 119.8° |
| C11 | C12 | H30 | 119.3° | 120.0° |
| C12 | C13 | H1 | 119.6° | 120.0° |
| C13 | C12 | H30 | 119.3° | 119.9° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.4° |
| H9 | C24 | H10 | 109.5° | 109.4° |
| H9 | C24 | H11 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.5° | 109.5° |
| H13 | C01 | H14 | 109.5° | 109.4° |
| H13 | C01 | H15 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.4° | 109.5° |
| H16 | C03 | H17 | 109.5° | 109.5° |
| H16 | C03 | H18 | 109.5° | 109.5° |
| H17 | C03 | H18 | 109.5° | 109.4° |
| H19 | C05 | H20 | 109.4° | 109.5° |
| H21 | C06 | H22 | 109.5° | 109.5° |
| H23 | C07 | H24 | 109.4° | 109.4° |
| H25 | C08 | H26 | 109.5° | 109.5° |
| H27 | C09 | H28 | 109.5° | 109.5° |
| H31 | C18 | H32 | 109.5° | 109.4° |
| H33 | C19 | H34 | 109.5° | 109.4° |
| H35 | C23 | H36 | 109.5° | 109.5° |
| H35 | C23 | H37 | 109.4° | 109.5° |
| H36 | C23 | H37 | 109.5° | 109.5° |
| H39 | C29 | H40 | 109.5° | 109.7° |
| H42 | C32 | H43 | 109.5° | 109.4° |
| H45 | C36 | H46 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C01 | O04 | 121.7° | 120.0° |
| C03 | C02 | C01 | C05 | 118.0° | 119.9° |
| C03 | C02 | O04 | C05 | 119.5° | 120.0° |
| C03 | C02 | C05 | C06 | 156.6° | 55.1° |
| C03 | C02 | C01 | H13 | 180.0° | 179.9° |
| C03 | C02 | C01 | H14 | 60.0° | 60.0° |
| C03 | C02 | C01 | H15 | 60.0° | 60.0° |
| C02 | C03 | H16 | H17 | 120.0° | 120.1° |
| C02 | C03 | H16 | H18 | 120.0° | 120.0° |
| C02 | C03 | H17 | H18 | 120.0° | 119.9° |
| C03 | C02 | C05 | H19 | 83.1° | 65.0° |
| C03 | C02 | C05 | H20 | 36.4° | 175.0° |
| C03 | C02 | O04 | H47 | 180.0° | 60.0° |
| C01 | C02 | O04 | C05 | 120.6° | 120.0° |
| C01 | C02 | C05 | C06 | 38.3° | 175.0° |
| C02 | C01 | H13 | H14 | 120.0° | 120.0° |
| C02 | C01 | H13 | H15 | 120.0° | 120.0° |
| C02 | C01 | H14 | H15 | 120.0° | 120.1° |
| C01 | C02 | C03 | H16 | 180.0° | 60.0° |
| C01 | C02 | C03 | H17 | 60.0° | 180.0° |
| C01 | C02 | C03 | H18 | 60.0° | 60.0° |
| C01 | C02 | C05 | H19 | 158.5° | 55.0° |
| C01 | C02 | C05 | H20 | 82.0° | 65.1° |
| C01 | C02 | O04 | H47 | 60.1° | 60.0° |
| O04 | C02 | C05 | C06 | 81.8° | 65.0° |
| O04 | C02 | C01 | H13 | 58.3° | 60.1° |
| O04 | C02 | C01 | H14 | 178.4° | 180.0° |
| O04 | C02 | C01 | H15 | 61.7° | 60.0° |
| O04 | C02 | C03 | H16 | 59.8° | 180.0° |
| O04 | C02 | C03 | H17 | 60.2° | 60.0° |
| O04 | C02 | C03 | H18 | 179.8° | 60.0° |
| O04 | C02 | C05 | H19 | 38.4° | 175.0° |
| O04 | C02 | C05 | H20 | 158.0° | 55.0° |
| C02 | C05 | C06 | H19 | 120.2° | 120.1° |
| C02 | C05 | C06 | H20 | 120.2° | 120.0° |
| C02 | C05 | C06 | C07 | 163.6° | 179.9° |
| C05 | C02 | C01 | H13 | 62.0° | 60.0° |
| C05 | C02 | C01 | H14 | 58.0° | 59.9° |
| C05 | C02 | C01 | H15 | 178.0° | 180.0° |
| C05 | C02 | C03 | H16 | 60.7° | 60.0° |
| C05 | C02 | C03 | H17 | 179.3° | 60.1° |
| C05 | C02 | C03 | H18 | 59.4° | 180.0° |
| C02 | C05 | H19 | H20 | 119.4° | 120.0° |
| C02 | C05 | C06 | H21 | 76.1° | 59.9° |
| C02 | C05 | C06 | H22 | 43.3° | 60.1° |
| C05 | C02 | O04 | H47 | 60.5° | 180.0° |
| C05 | C06 | C07 | H21 | 120.3° | 120.0° |
| C05 | C06 | C07 | H22 | 120.3° | 119.9° |
| C05 | C06 | C07 | C08 | 164.1° | 180.0° |
| C06 | C05 | H19 | H20 | 119.4° | 119.9° |
| C05 | C06 | H21 | H22 | 119.0° | 120.0° |
| C05 | C06 | C07 | H23 | 43.6° | 60.0° |
| C05 | C06 | C07 | H24 | 75.5° | 60.0° |
| C06 | C07 | C08 | H23 | 120.4° | 120.0° |
| C06 | C07 | C08 | H24 | 120.4° | 120.1° |
| C06 | C07 | C08 | C09 | 141.5° | 180.0° |
| C07 | C06 | C05 | H19 | 43.3° | 60.0° |
| C07 | C06 | C05 | H20 | 76.2° | 60.0° |
| C07 | C06 | H21 | H22 | 118.9° | 120.1° |
| C06 | C07 | H23 | H24 | 118.7° | 120.1° |
| C06 | C07 | C08 | H25 | 98.3° | 60.0° |
| C06 | C07 | C08 | H26 | 21.3° | 60.0° |
| C24 | C22 | C23 | O25 | 120.6° | 119.9° |
| C24 | C22 | C23 | C21 | 119.8° | 120.1° |
| C24 | C22 | O25 | C21 | 120.4° | 120.0° |
| C24 | C22 | C21 | C20 | 55.7° | 175.0° |
| C24 | C22 | C21 | H7 | 64.5° | 65.0° |
| C24 | C22 | C21 | H8 | 175.8° | 55.0° |
| C22 | C24 | H9 | H10 | 120.0° | 119.9° |
| C22 | C24 | H9 | H11 | 120.0° | 120.1° |
| C22 | C24 | H10 | H11 | 120.0° | 120.0° |
| C24 | C22 | C23 | H35 | 180.0° | 59.9° |
| C24 | C22 | C23 | H36 | 60.0° | 60.1° |
| C24 | C22 | C23 | H37 | 60.0° | 180.0° |
| C24 | C22 | O25 | H48 | 180.0° | 60.1° |
| C23 | C22 | O25 | C21 | 119.0° | 120.1° |
| C23 | C22 | C21 | C20 | 63.3° | 55.0° |
| C23 | C22 | C21 | H7 | 176.6° | 175.0° |
| C23 | C22 | C21 | H8 | 56.9° | 65.0° |
| C23 | C22 | C24 | H9 | 180.0° | 180.0° |
| C23 | C22 | C24 | H10 | 60.0° | 60.1° |
| C23 | C22 | C24 | H11 | 60.0° | 59.9° |
| C22 | C23 | H35 | H36 | 120.0° | 120.0° |
| C22 | C23 | H35 | H37 | 120.0° | 120.0° |
| C22 | C23 | H36 | H37 | 120.0° | 119.9° |
| C23 | C22 | O25 | H48 | 59.4° | 180.0° |
| O25 | C22 | C21 | C20 | 175.1° | 65.0° |
| O25 | C22 | C21 | H7 | 55.0° | 55.0° |
| O25 | C22 | C21 | H8 | 64.8° | 175.0° |
| O25 | C22 | C24 | H9 | 57.5° | 60.1° |
| O25 | C22 | C24 | H10 | 177.5° | 180.0° |
| O25 | C22 | C24 | H11 | 62.5° | 60.0° |
| O25 | C22 | C23 | H35 | 59.5° | 59.9° |
| O25 | C22 | C23 | H36 | 60.5° | 180.0° |
| O25 | C22 | C23 | H37 | 179.4° | 60.1° |
| C22 | C21 | C20 | C19 | 131.9° | 180.0° |
| C22 | C21 | C20 | H7 | 120.1° | 120.0° |
| C22 | C21 | C20 | H8 | 120.1° | 120.0° |
| C22 | C21 | C20 | H5 | 11.4° | 60.0° |
| C22 | C21 | C20 | H6 | 107.5° | 60.0° |
| C22 | C21 | H7 | H8 | 119.6° | 120.0° |
| C21 | C22 | C24 | H9 | 61.9° | 59.9° |
| C21 | C22 | C24 | H10 | 58.2° | 60.0° |
| C21 | C22 | C24 | H11 | 178.1° | 180.0° |
| C21 | C22 | C23 | H35 | 60.1° | 180.0° |
| C21 | C22 | C23 | H36 | 179.9° | 60.0° |
| C21 | C22 | C23 | H37 | 59.8° | 60.0° |
| C21 | C22 | O25 | H48 | 59.6° | 59.9° |
| C07 | C08 | C09 | H25 | 120.2° | 120.0° |
| C07 | C08 | C09 | H26 | 120.2° | 120.0° |
| C07 | C08 | C09 | C10 | 56.0° | 180.0° |
| C08 | C07 | C06 | H21 | 75.6° | 60.0° |
| C08 | C07 | C06 | H22 | 43.7° | 60.0° |
| C08 | C07 | H23 | H24 | 118.8° | 119.9° |
| C07 | C08 | H25 | H26 | 119.4° | 119.9° |
| C07 | C08 | C09 | H27 | 176.0° | 60.0° |
| C07 | C08 | C09 | H28 | 64.1° | 60.0° |
| C19 | C20 | C21 | H5 | 120.5° | 120.0° |
| C19 | C20 | C21 | H6 | 120.6° | 120.0° |
| C20 | C19 | C18 | H33 | 119.9° | 120.1° |
| C20 | C19 | C18 | H34 | 119.9° | 120.0° |
| C20 | C19 | C18 | C17 | 176.3° | 180.0° |
| C19 | C20 | H5 | H6 | 118.3° | 119.9° |
| C19 | C20 | C21 | H7 | 11.8° | 60.0° |
| C19 | C20 | C21 | H8 | 107.9° | 59.9° |
| C20 | C19 | C18 | H31 | 62.8° | 60.0° |
| C20 | C19 | C18 | H32 | 55.4° | 59.9° |
| C20 | C19 | H33 | H34 | 120.2° | 120.0° |
| C21 | C20 | C19 | C18 | 117.9° | 180.0° |
| C21 | C20 | H5 | H6 | 118.3° | 120.1° |
| C20 | C21 | H7 | H8 | 119.6° | 120.0° |
| C21 | C20 | C19 | H33 | 122.2° | 60.0° |
| C21 | C20 | C19 | H34 | 2.1° | 60.0° |
| C08 | C09 | C10 | H27 | 120.0° | 120.0° |
| C08 | C09 | C10 | H28 | 120.1° | 120.0° |
| C08 | C09 | C10 | C15 | 54.6° | 90.3° |
| C08 | C09 | C10 | C11 | 124.6° | 90.0° |
| C09 | C08 | C07 | H23 | 21.0° | 60.0° |
| C09 | C08 | C07 | H24 | 98.1° | 59.9° |
| C09 | C08 | H25 | H26 | 119.3° | 120.0° |
| C08 | C09 | H27 | H28 | 119.9° | 119.9° |
| C36 | C35 | C33 | C32 | 114.2° | 133.2° |
| C36 | C35 | C28 | C33 | 163.6° | 179.8° |
| C36 | C35 | C28 | C29 | 127.7° | 136.6° |
| C36 | C35 | C33 | O34 | 7.8° | 107.0° |
| C36 | C35 | C28 | C27 | 63.2° | 43.1° |
| C36 | C35 | C33 | H44 | 129.1° | 13.6° |
| C35 | C36 | H45 | H46 | 180.0° | 180.0° |
| C19 | C18 | C17 | H31 | 120.9° | 120.0° |
| C19 | C18 | C17 | H32 | 120.9° | 120.0° |
| C19 | C18 | C17 | C16 | 154.9° | 180.0° |
| C19 | C18 | C17 | H3 | 34.1° | 60.0° |
| C19 | C18 | C17 | H4 | 84.3° | 60.0° |
| C18 | C19 | C20 | H5 | 121.6° | 60.0° |
| C18 | C19 | C20 | H6 | 2.7° | 60.0° |
| C19 | C18 | H31 | H32 | 117.1° | 119.9° |
| C18 | C19 | H33 | H34 | 120.3° | 119.9° |
| C30 | C32 | C33 | H42 | 119.6° | 120.1° |
| C30 | C32 | C33 | H43 | 119.7° | 120.1° |
| C30 | C32 | C33 | C35 | 67.3° | 57.9° |
| C32 | C30 | C29 | C28 | 48.2° | 57.6° |
| C32 | C30 | C29 | O31 | 119.7° | 120.1° |
| C32 | C30 | C29 | H41 | 123.6° | 120.1° |
| C30 | C32 | C33 | O34 | 169.9° | 62.1° |
| C32 | C30 | O31 | H41 | 122.9° | 119.8° |
| C32 | C30 | C29 | H39 | 72.3° | 177.4° |
| C32 | C30 | C29 | H40 | 168.8° | 62.0° |
| C30 | C32 | H42 | H43 | 121.1° | 119.8° |
| C30 | C32 | C33 | H44 | 51.3° | 177.4° |
| C32 | C30 | O31 | H49 | 180.0° | 179.6° |
| C32 | C33 | C35 | C28 | 49.4° | 47.0° |
| C32 | C33 | C35 | O34 | 122.0° | 119.8° |
| C32 | C33 | C35 | H44 | 116.6° | 119.6° |
| C33 | C32 | C30 | C29 | 62.3° | 66.2° |
| C32 | C33 | O34 | H44 | 116.6° | 120.5° |
| C33 | C32 | C30 | O31 | 55.8° | 173.8° |
| C33 | C32 | C30 | H41 | 176.9° | 53.9° |
| C33 | C32 | H42 | H43 | 121.0° | 119.9° |
| C32 | C33 | O34 | H50 | 180.0° | 180.0° |
| C35 | C28 | C29 | C27 | 169.3° | 179.7° |
| C35 | C28 | C29 | C30 | 29.0° | 46.9° |
| C28 | C35 | C33 | O34 | 171.4° | 72.8° |
| C35 | C28 | C27 | C26 | 7.4° | 0.3° |
| C35 | C28 | C27 | H38 | 172.6° | 179.7° |
| C35 | C28 | C29 | H39 | 91.6° | 166.6° |
| C35 | C28 | C29 | H40 | 149.5° | 72.8° |
| C28 | C35 | C33 | H44 | 67.2° | 166.6° |
| C28 | C35 | C36 | H45 | 162.5° | 0.0° |
| C28 | C35 | C36 | H46 | 17.5° | 180.0° |
| C33 | C35 | C28 | C29 | 35.9° | 43.5° |
| C35 | C33 | O34 | H44 | 121.4° | 120.6° |
| C33 | C35 | C28 | C27 | 133.2° | 136.7° |
| C35 | C33 | C32 | H42 | 52.3° | 177.9° |
| C35 | C33 | C32 | H43 | 173.0° | 62.2° |
| C33 | C35 | C36 | H45 | 0.0° | 179.8° |
| C33 | C35 | C36 | H46 | 180.0° | 0.2° |
| C35 | C33 | O34 | H50 | 58.0° | 61.1° |
| C28 | C29 | C30 | H39 | 120.5° | 119.8° |
| C28 | C29 | C30 | H40 | 120.5° | 119.6° |
| C28 | C29 | C30 | O31 | 71.5° | 177.7° |
| C29 | C28 | C27 | C26 | 176.2° | 180.0° |
| C29 | C28 | C27 | H38 | 3.8° | 0.0° |
| C28 | C29 | H39 | H40 | 118.3° | 120.5° |
| C28 | C29 | C30 | H41 | 171.8° | 62.4° |
| C30 | C29 | C28 | C27 | 140.4° | 133.4° |
| C29 | C30 | O31 | H41 | 115.3° | 119.8° |
| C30 | C29 | H39 | H40 | 118.3° | 120.6° |
| C29 | C30 | C32 | H42 | 57.3° | 173.7° |
| C29 | C30 | C32 | H43 | 178.1° | 53.9° |
| C29 | C30 | O31 | H49 | 58.1° | 60.0° |
| C18 | C17 | C16 | H3 | 120.8° | 120.0° |
| C18 | C17 | C16 | H4 | 120.8° | 120.0° |
| C18 | C17 | C16 | C26 | 159.9° | 95.0° |
| C18 | C17 | C16 | C14 | 19.8° | 85.0° |
| C18 | C17 | H3 | H4 | 117.5° | 120.1° |
| C17 | C18 | H31 | H32 | 117.2° | 120.0° |
| C17 | C18 | C19 | H33 | 56.4° | 60.0° |
| C17 | C18 | C19 | H34 | 63.8° | 60.0° |
| O34 | C33 | C32 | H42 | 70.5° | 58.0° |
| O34 | C33 | C32 | H43 | 50.2° | 177.8° |
| C28 | C27 | C26 | H38 | 180.0° | 180.0° |
| C28 | C27 | C26 | C16 | 155.4° | 180.0° |
| C28 | C27 | C26 | H12 | 24.6° | 0.0° |
| C27 | C28 | C29 | H39 | 99.1° | 13.6° |
| C27 | C28 | C29 | H40 | 19.8° | 106.9° |
| O31 | C30 | C29 | H39 | 168.0° | 62.5° |
| O31 | C30 | C29 | H40 | 49.0° | 58.1° |
| O31 | C30 | C32 | H42 | 175.4° | 53.7° |
| O31 | C30 | C32 | H43 | 63.9° | 66.1° |
| C17 | C16 | C26 | C27 | 0.1° | 0.0° |
| C17 | C16 | C14 | C15 | 20.0° | 115.0° |
| C17 | C16 | C26 | C14 | 179.8° | 180.0° |
| C17 | C16 | C14 | C13 | 162.2° | 65.0° |
| C16 | C17 | H3 | H4 | 117.5° | 119.9° |
| C17 | C16 | C26 | H12 | 180.0° | 180.0° |
| C16 | C17 | C18 | H31 | 84.2° | 60.0° |
| C16 | C17 | C18 | H32 | 34.0° | 60.0° |
| C09 | C10 | C15 | C11 | 179.3° | 179.7° |
| C09 | C10 | C15 | C14 | 179.3° | 179.7° |
| C09 | C10 | C11 | C12 | 179.8° | 179.8° |
| C09 | C10 | C15 | H2 | 0.7° | 0.2° |
| C10 | C09 | C08 | H25 | 64.2° | 60.0° |
| C10 | C09 | C08 | H26 | 176.2° | 60.0° |
| C10 | C09 | H27 | H28 | 119.8° | 120.0° |
| C09 | C10 | C11 | H29 | 0.2° | 0.3° |
| C27 | C26 | C16 | H12 | 180.0° | 180.0° |
| C27 | C26 | C16 | C14 | 179.7° | 180.0° |
| C10 | C15 | C14 | H2 | 180.0° | 180.0° |
| C10 | C15 | C14 | C16 | 179.5° | 180.0° |
| C10 | C15 | C14 | C13 | 1.6° | 0.0° |
| C15 | C10 | C11 | C12 | 0.5° | 0.0° |
| C15 | C10 | C09 | H27 | 65.4° | 29.7° |
| C15 | C10 | C09 | H28 | 174.7° | 149.8° |
| C15 | C10 | C11 | H29 | 179.5° | 180.0° |
| C15 | C14 | C16 | C26 | 159.7° | 65.0° |
| C15 | C14 | C16 | C13 | 177.8° | 180.0° |
| C14 | C15 | C10 | C11 | 1.4° | 0.0° |
| C15 | C14 | C13 | C12 | 1.0° | 0.0° |
| C15 | C14 | C13 | H1 | 178.9° | 180.0° |
| C26 | C16 | C14 | C13 | 18.1° | 115.0° |
| C26 | C16 | C17 | H3 | 39.1° | 145.0° |
| C26 | C16 | C17 | H4 | 79.3° | 25.0° |
| C16 | C26 | C27 | H38 | 24.6° | 0.0° |
| C16 | C14 | C13 | C12 | 179.0° | 180.0° |
| C16 | C14 | C13 | H1 | 0.9° | 0.0° |
| C16 | C14 | C15 | H2 | 0.5° | 0.0° |
| C14 | C16 | C17 | H3 | 140.6° | 35.0° |
| C14 | C16 | C17 | H4 | 101.0° | 155.0° |
| C14 | C16 | C26 | H12 | 0.3° | 0.0° |
| C10 | C11 | C12 | H29 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C11 | C10 | C15 | H2 | 178.6° | 180.0° |
| C11 | C10 | C09 | H27 | 115.3° | 150.0° |
| C11 | C10 | C09 | H28 | 4.6° | 30.0° |
| C10 | C11 | C12 | H30 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.3° | 0.0° |
| C14 | C13 | C12 | H1 | 180.0° | 180.0° |
| C13 | C14 | C15 | H2 | 178.3° | 180.0° |
| C14 | C13 | C12 | H30 | 179.8° | 180.0° |
| C11 | C12 | C13 | H30 | 180.0° | 179.9° |
| C11 | C12 | C13 | H1 | 179.7° | 180.0° |
| C13 | C12 | C11 | H29 | 180.0° | 180.0° |
| H1 | C13 | C12 | H30 | 0.3° | 0.0° |
| H3 | C17 | C18 | H31 | 155.0° | 180.0° |
| H3 | C17 | C18 | H32 | 86.8° | 60.0° |
| H4 | C17 | C18 | H31 | 36.6° | 60.0° |
| H4 | C17 | C18 | H32 | 154.8° | 180.0° |
| H5 | C20 | C21 | H7 | 108.7° | 60.0° |
| H5 | C20 | C21 | H8 | 131.5° | 179.9° |
| H5 | C20 | C19 | H33 | 1.7° | 180.0° |
| H5 | C20 | C19 | H34 | 118.5° | 60.0° |
| H6 | C20 | C21 | H7 | 132.4° | 179.9° |
| H6 | C20 | C21 | H8 | 12.6° | 60.0° |
| H6 | C20 | C19 | H33 | 117.2° | 60.0° |
| H6 | C20 | C19 | H34 | 122.6° | 180.0° |
| H9 | C24 | H10 | H11 | 120.0° | 120.1° |
| H12 | C26 | C27 | H38 | 155.5° | 180.0° |
| H13 | C01 | H14 | H15 | 120.0° | 120.0° |
| H16 | C03 | H17 | H18 | 120.0° | 120.0° |
| H19 | C05 | C06 | H21 | 163.7° | 180.0° |
| H19 | C05 | C06 | H22 | 77.0° | 60.0° |
| H20 | C05 | C06 | H21 | 44.1° | 60.0° |
| H20 | C05 | C06 | H22 | 163.5° | 180.0° |
| H21 | C06 | C07 | H23 | 164.0° | 180.0° |
| H21 | C06 | C07 | H24 | 44.8° | 60.0° |
| H22 | C06 | C07 | H23 | 76.7° | 59.9° |
| H22 | C06 | C07 | H24 | 164.1° | 180.0° |
| H23 | C07 | C08 | H25 | 141.2° | 180.0° |
| H23 | C07 | C08 | H26 | 99.2° | 60.0° |
| H24 | C07 | C08 | H25 | 22.1° | 60.1° |
| H24 | C07 | C08 | H26 | 141.7° | 180.0° |
| H25 | C08 | C09 | H27 | 55.8° | 60.0° |
| H25 | C08 | C09 | H28 | 175.7° | 180.0° |
| H26 | C08 | C09 | H27 | 63.7° | 180.0° |
| H26 | C08 | C09 | H28 | 56.2° | 60.0° |
| H29 | C11 | C12 | H30 | 0.0° | 0.1° |
| H31 | C18 | C19 | H33 | 177.3° | 60.1° |
| H31 | C18 | C19 | H34 | 57.1° | 180.0° |
| H32 | C18 | C19 | H33 | 64.5° | 180.0° |
| H32 | C18 | C19 | H34 | 175.3° | 60.1° |
| H35 | C23 | H36 | H37 | 120.0° | 120.1° |
| H39 | C29 | C30 | H41 | 51.3° | 57.3° |
| H40 | C29 | C30 | H41 | 67.6° | 177.9° |
| H41 | C30 | C32 | H42 | 63.5° | 66.2° |
| H41 | C30 | C32 | H43 | 57.3° | 174.0° |
| H41 | C30 | O31 | H49 | 57.2° | 59.8° |
| H42 | C32 | C33 | H44 | 171.0° | 62.6° |
| H43 | C32 | C33 | H44 | 68.3° | 57.3° |
| H44 | C33 | O34 | H50 | 63.4° | 59.5° |
