A1EIL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C25 | sing | 1.53Å | 1.59Å | |
| C27 | C29 | sing | 1.53Å | 1.57Å | |
| C34 | C32 | sing | 1.53Å | 1.56Å | |
| C25 | C26 | sing | 1.53Å | 1.58Å | |
| C25 | C30 | sing | 1.53Å | 1.55Å | |
| C32 | C31 | sing | 1.53Å | 1.58Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C26 | C24 | sing | 1.53Å | 1.57Å | |
| C29 | C31 | sing | 1.53Å | 1.57Å | |
| C24 | C23 | sing | 1.53Å | 1.56Å | |
| C21 | C19 | sing | 1.53Å | 1.58Å | |
| C21 | C20 | sing | 1.53Å | 1.58Å | |
| C19 | C16 | sing | 1.53Å | 1.57Å | |
| C23 | C20 | sing | 1.53Å | 1.58Å | |
| C16 | C15 | sing | 1.51Å | 1.56Å | |
| C20 | C28 | sing | 1.53Å | 1.55Å | |
| C15 | C22 | sing | 1.51Å | 1.50Å | |
| C15 | C12 | doub | 1.31Å | 1.38Å | |
| C12 | C06 | sing | 1.51Å | 1.53Å | |
| C06 | C04 | sing | 1.53Å | 1.58Å | |
| O02 | C07 | doub | 1.21Å | 1.24Å | |
| C04 | O01 | sing | 1.43Å | 1.43Å | |
| C04 | C07 | sing | 1.52Å | 1.54Å | |
| C04 | C05 | sing | 1.54Å | 1.58Å | |
| O01 | C05 | sing | 1.43Å | 1.43Å | |
| C07 | C10 | sing | 1.49Å | 1.60Å | |
| C09 | C05 | sing | 1.53Å | 1.52Å | |
| C05 | C08 | sing | 1.52Å | 1.54Å | |
| C10 | C13 | doub | 1.39Å | 1.45Å | Aromatic |
| C10 | C11 | sing | 1.42Å | 1.40Å | Aromatic |
| C13 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C08 | C11 | sing | 1.48Å | 1.64Å | |
| C08 | O03 | doub | 1.21Å | 1.23Å | |
| C11 | C14 | doub | 1.39Å | 1.45Å | Aromatic |
| C17 | C18 | doub | 1.37Å | 1.43Å | Aromatic |
| C14 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | H1 | sing | 1.09Å | 1.10Å | |
| C06 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| C33 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C34 | H42 | sing | 1.09Å | 1.10Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| C23 | H45 | sing | 1.09Å | 1.10Å | |
| C24 | H46 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C27 | C29 | 115.3° | 109.4° |
| C27 | C25 | C26 | 113.3° | 109.4° |
| C27 | C25 | C30 | 110.8° | 109.4° |
| C27 | C25 | H23 | 107.4° | 109.5° |
| C25 | C27 | H26 | 108.0° | 109.5° |
| C25 | C27 | H27 | 108.0° | 109.5° |
| C27 | C29 | C31 | 116.2° | 109.5° |
| C29 | C27 | H26 | 108.0° | 109.5° |
| C29 | C27 | H27 | 108.0° | 109.5° |
| C27 | C29 | H31 | 107.8° | 109.5° |
| C27 | C29 | H32 | 107.8° | 109.5° |
| C34 | C32 | C31 | 112.3° | 109.5° |
| C34 | C32 | C33 | 109.7° | 109.5° |
| C34 | C32 | H38 | 107.8° | 109.4° |
| C32 | C34 | H42 | 109.5° | 109.5° |
| C32 | C34 | H43 | 109.5° | 109.5° |
| C32 | C34 | H44 | 109.4° | 109.5° |
| C26 | C25 | C30 | 109.9° | 109.5° |
| C25 | C26 | C24 | 114.8° | 109.5° |
| C26 | C25 | H23 | 107.4° | 109.5° |
| C25 | C26 | H24 | 108.1° | 109.4° |
| C25 | C26 | H25 | 108.1° | 109.5° |
| C30 | C25 | H23 | 107.8° | 109.5° |
| C25 | C30 | H33 | 109.5° | 109.5° |
| C25 | C30 | H34 | 109.5° | 109.5° |
| C25 | C30 | H35 | 109.5° | 109.5° |
| C31 | C32 | C33 | 111.5° | 109.5° |
| C32 | C31 | C29 | 115.9° | 109.5° |
| C32 | C31 | H36 | 107.8° | 109.5° |
| C32 | C31 | H37 | 107.8° | 109.5° |
| C31 | C32 | H38 | 107.5° | 109.4° |
| C33 | C32 | H38 | 107.9° | 109.5° |
| C32 | C33 | H39 | 109.5° | 109.5° |
| C32 | C33 | H40 | 109.5° | 109.5° |
| C32 | C33 | H41 | 109.5° | 109.5° |
| C26 | C24 | C23 | 115.5° | 109.5° |
| C26 | C24 | H22 | 108.0° | 109.4° |
| C24 | C26 | H24 | 108.1° | 109.5° |
| C24 | C26 | H25 | 108.1° | 109.5° |
| C26 | C24 | H46 | 107.9° | 109.5° |
| C31 | C29 | H31 | 107.8° | 109.5° |
| C31 | C29 | H32 | 107.8° | 109.4° |
| C29 | C31 | H36 | 107.8° | 109.5° |
| C29 | C31 | H37 | 107.9° | 109.4° |
| C24 | C23 | C20 | 115.1° | 109.4° |
| C24 | C23 | H21 | 108.0° | 109.5° |
| C23 | C24 | H22 | 108.0° | 109.5° |
| C24 | C23 | H45 | 108.1° | 109.4° |
| C23 | C24 | H46 | 107.9° | 109.5° |
| C19 | C21 | C20 | 114.6° | 109.5° |
| C21 | C19 | C16 | 116.9° | 109.5° |
| C21 | C19 | H7 | 107.6° | 109.5° |
| C21 | C19 | H8 | 107.6° | 109.4° |
| C19 | C21 | H16 | 108.2° | 109.5° |
| C19 | C21 | H17 | 108.2° | 109.4° |
| C21 | C20 | C23 | 112.5° | 109.5° |
| C21 | C20 | C28 | 110.8° | 109.5° |
| C21 | C20 | H15 | 107.5° | 109.5° |
| C20 | C21 | H16 | 108.2° | 109.5° |
| C20 | C21 | H17 | 108.2° | 109.5° |
| C19 | C16 | C15 | 115.7° | 109.5° |
| C16 | C19 | H7 | 107.6° | 109.5° |
| C16 | C19 | H8 | 107.6° | 109.4° |
| C19 | C16 | H13 | 107.9° | 109.5° |
| C19 | C16 | H14 | 107.9° | 109.4° |
| C23 | C20 | C28 | 110.6° | 109.5° |
| C23 | C20 | H15 | 107.5° | 109.5° |
| C20 | C23 | H21 | 108.0° | 109.5° |
| C20 | C23 | H45 | 108.0° | 109.5° |
| C16 | C15 | C22 | 118.3° | 120.0° |
| C16 | C15 | C12 | 122.2° | 120.0° |
| C15 | C16 | H13 | 107.9° | 109.5° |
| C15 | C16 | H14 | 107.9° | 109.5° |
| C28 | C20 | H15 | 107.8° | 109.5° |
| C20 | C28 | H28 | 109.5° | 109.5° |
| C20 | C28 | H29 | 109.5° | 109.5° |
| C20 | C28 | H30 | 109.5° | 109.5° |
| C22 | C15 | C12 | 119.5° | 120.0° |
| C15 | C22 | H18 | 109.5° | 109.5° |
| C15 | C22 | H19 | 109.5° | 109.5° |
| C15 | C22 | H20 | 109.5° | 109.5° |
| C15 | C12 | C06 | 127.8° | 120.0° |
| C15 | C12 | H3 | 116.1° | 120.0° |
| C12 | C06 | C04 | 114.2° | 109.4° |
| C12 | C06 | H1 | 108.3° | 109.5° |
| C12 | C06 | H2 | 108.3° | 109.5° |
| C06 | C12 | H3 | 116.1° | 120.0° |
| C06 | C04 | O01 | 112.7° | 118.8° |
| C06 | C04 | C07 | 124.5° | 116.5° |
| C06 | C04 | C05 | 121.4° | 119.0° |
| C04 | C06 | H1 | 108.3° | 109.5° |
| C04 | C06 | H2 | 108.3° | 109.4° |
| O02 | C07 | C04 | 108.5° | 122.5° |
| O02 | C07 | C10 | 124.1° | 121.4° |
| O01 | C04 | C07 | 105.5° | 116.7° |
| O01 | C04 | C05 | 56.3° | 57.4° |
| C04 | O01 | C05 | 67.0° | 65.2° |
| C07 | C04 | C05 | 113.0° | 115.5° |
| C04 | C07 | C10 | 127.4° | 116.0° |
| C04 | C05 | O01 | 56.8° | 57.4° |
| C04 | C05 | C09 | 116.5° | 119.6° |
| C04 | C05 | C08 | 115.5° | 114.9° |
| O01 | C05 | C09 | 112.5° | 118.8° |
| O01 | C05 | C08 | 113.6° | 116.7° |
| C07 | C10 | C13 | 123.2° | 121.8° |
| C07 | C10 | C11 | 117.5° | 118.7° |
| C09 | C05 | C08 | 123.4° | 116.4° |
| C05 | C09 | H9 | 109.5° | 109.5° |
| C05 | C09 | H10 | 109.5° | 109.5° |
| C05 | C09 | H11 | 109.5° | 109.5° |
| C05 | C08 | C11 | 124.3° | 117.1° |
| C05 | C08 | O03 | 112.6° | 121.5° |
| C13 | C10 | C11 | 119.3° | 119.5° |
| C10 | C13 | C17 | 121.5° | 119.5° |
| C10 | C13 | H4 | 119.3° | 120.2° |
| C10 | C11 | C08 | 115.7° | 118.4° |
| C10 | C11 | C14 | 118.8° | 119.8° |
| C13 | C17 | C18 | 119.3° | 121.0° |
| C17 | C13 | H4 | 119.2° | 120.3° |
| C13 | C17 | H5 | 120.3° | 119.6° |
| C11 | C08 | O03 | 123.2° | 121.4° |
| C08 | C11 | C14 | 125.5° | 121.8° |
| C11 | C14 | C18 | 121.3° | 119.5° |
| C11 | C14 | H12 | 119.4° | 120.3° |
| C17 | C18 | C14 | 119.8° | 120.6° |
| C18 | C17 | H5 | 120.3° | 119.3° |
| C17 | C18 | H6 | 120.1° | 119.7° |
| C14 | C18 | H6 | 120.1° | 119.7° |
| C18 | C14 | H12 | 119.4° | 120.2° |
| H1 | C06 | H2 | 109.4° | 109.5° |
| H7 | C19 | H8 | 109.5° | 109.4° |
| H9 | C09 | H10 | 109.4° | 109.4° |
| H9 | C09 | H11 | 109.5° | 109.5° |
| H10 | C09 | H11 | 109.5° | 109.4° |
| H13 | C16 | H14 | 109.5° | 109.4° |
| H16 | C21 | H17 | 109.5° | 109.5° |
| H18 | C22 | H19 | 109.4° | 109.5° |
| H18 | C22 | H20 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H21 | C23 | H45 | 109.5° | 109.5° |
| H22 | C24 | H46 | 109.5° | 109.4° |
| H24 | C26 | H25 | 109.5° | 109.4° |
| H26 | C27 | H27 | 109.4° | 109.5° |
| H28 | C28 | H29 | 109.5° | 109.5° |
| H28 | C28 | H30 | 109.5° | 109.5° |
| H29 | C28 | H30 | 109.5° | 109.5° |
| H31 | C29 | H32 | 109.5° | 109.5° |
| H33 | C30 | H34 | 109.5° | 109.4° |
| H33 | C30 | H35 | 109.4° | 109.5° |
| H34 | C30 | H35 | 109.5° | 109.5° |
| H36 | C31 | H37 | 109.5° | 109.5° |
| H39 | C33 | H40 | 109.4° | 109.4° |
| H39 | C33 | H41 | 109.5° | 109.5° |
| H40 | C33 | H41 | 109.5° | 109.4° |
| H42 | C34 | H43 | 109.5° | 109.5° |
| H42 | C34 | H44 | 109.5° | 109.4° |
| H43 | C34 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C27 | C29 | H26 | 120.9° | 120.0° |
| C25 | C27 | C29 | H27 | 120.9° | 120.0° |
| C27 | C25 | C26 | C30 | 124.6° | 119.9° |
| C27 | C25 | C26 | H23 | 118.4° | 120.0° |
| C27 | C25 | C30 | H23 | 117.2° | 120.0° |
| C27 | C25 | C26 | C24 | 174.8° | 175.0° |
| C25 | C27 | C29 | C31 | 95.7° | 180.0° |
| C27 | C25 | C26 | H24 | 54.0° | 55.0° |
| C27 | C25 | C26 | H25 | 64.4° | 65.0° |
| C25 | C27 | H26 | H27 | 117.4° | 120.0° |
| C25 | C27 | C29 | H31 | 25.3° | 60.0° |
| C25 | C27 | C29 | H32 | 143.3° | 60.0° |
| C27 | C25 | C30 | H33 | 180.0° | 60.0° |
| C27 | C25 | C30 | H34 | 60.0° | 180.0° |
| C27 | C25 | C30 | H35 | 60.0° | 60.1° |
| C29 | C27 | C25 | C26 | 93.3° | 175.0° |
| C29 | C27 | C25 | C30 | 30.8° | 65.0° |
| C27 | C29 | C31 | C32 | 97.7° | 180.0° |
| C27 | C29 | C31 | H31 | 121.0° | 120.0° |
| C27 | C29 | C31 | H32 | 120.9° | 120.0° |
| C29 | C27 | C25 | H23 | 148.2° | 55.0° |
| C29 | C27 | H26 | H27 | 117.3° | 120.0° |
| C27 | C29 | H31 | H32 | 116.9° | 120.0° |
| C27 | C29 | C31 | H36 | 141.4° | 60.0° |
| C27 | C29 | C31 | H37 | 23.3° | 60.0° |
| C34 | C32 | C31 | C33 | 123.5° | 120.0° |
| C34 | C32 | C31 | H38 | 118.4° | 119.9° |
| C34 | C32 | C33 | H38 | 117.2° | 120.0° |
| C34 | C32 | C31 | C29 | 22.8° | 65.0° |
| C34 | C32 | C31 | H36 | 98.1° | 175.0° |
| C34 | C32 | C31 | H37 | 143.8° | 55.0° |
| C34 | C32 | C33 | H39 | 180.0° | 60.0° |
| C34 | C32 | C33 | H40 | 60.0° | 60.0° |
| C34 | C32 | C33 | H41 | 60.0° | 180.0° |
| C32 | C34 | H42 | H43 | 120.0° | 120.0° |
| C32 | C34 | H42 | H44 | 120.0° | 120.0° |
| C32 | C34 | H43 | H44 | 119.9° | 120.1° |
| C26 | C25 | C30 | H23 | 116.8° | 120.0° |
| C25 | C26 | C24 | H24 | 120.8° | 120.0° |
| C25 | C26 | C24 | H25 | 120.8° | 120.0° |
| C25 | C26 | C24 | C23 | 174.4° | NaN° |
| C25 | C26 | C24 | H22 | 64.7° | 60.0° |
| C25 | C26 | H24 | H25 | 117.6° | 120.0° |
| C26 | C25 | C27 | H26 | 145.8° | 55.0° |
| C26 | C25 | C27 | H27 | 27.5° | 65.0° |
| C26 | C25 | C30 | H33 | 54.0° | 60.0° |
| C26 | C25 | C30 | H34 | 174.0° | 60.0° |
| C26 | C25 | C30 | H35 | 66.0° | 180.0° |
| C25 | C26 | C24 | H46 | 53.5° | 59.9° |
| C30 | C25 | C26 | C24 | 50.2° | 65.1° |
| C30 | C25 | C26 | H24 | 70.5° | 174.9° |
| C30 | C25 | C26 | H25 | 171.0° | 55.0° |
| C30 | C25 | C27 | H26 | 90.1° | 175.0° |
| C30 | C25 | C27 | H27 | 151.6° | 55.0° |
| C25 | C30 | H33 | H34 | 120.0° | 120.0° |
| C25 | C30 | H33 | H35 | 120.0° | 120.1° |
| C25 | C30 | H34 | H35 | 120.0° | 120.0° |
| C31 | C32 | C33 | H38 | 117.9° | 120.0° |
| C32 | C31 | C29 | H36 | 120.9° | 120.0° |
| C32 | C31 | C29 | H37 | 120.9° | 120.0° |
| C32 | C31 | C29 | H31 | 141.3° | 60.0° |
| C32 | C31 | C29 | H32 | 23.3° | 60.0° |
| C32 | C31 | H36 | H37 | 117.0° | 120.0° |
| C31 | C32 | C33 | H39 | 55.0° | 60.0° |
| C31 | C32 | C33 | H40 | 65.0° | 180.0° |
| C31 | C32 | C33 | H41 | 175.0° | 60.1° |
| C31 | C32 | C34 | H42 | 180.0° | 60.1° |
| C31 | C32 | C34 | H43 | 60.0° | 60.0° |
| C31 | C32 | C34 | H44 | 60.0° | 180.0° |
| C33 | C32 | C31 | C29 | 146.3° | 175.0° |
| C33 | C32 | C31 | H36 | 25.4° | 55.0° |
| C33 | C32 | C31 | H37 | 92.7° | 65.0° |
| C32 | C33 | H39 | H40 | 120.0° | 120.1° |
| C32 | C33 | H39 | H41 | 120.0° | 120.0° |
| C32 | C33 | H40 | H41 | 120.0° | 120.0° |
| C33 | C32 | C34 | H42 | 55.5° | 60.0° |
| C33 | C32 | C34 | H43 | 64.5° | 180.0° |
| C33 | C32 | C34 | H44 | 175.5° | 60.0° |
| C26 | C24 | C23 | H22 | 120.9° | 120.0° |
| C26 | C24 | C23 | H46 | 120.9° | 120.1° |
| C26 | C24 | C23 | C20 | 179.5° | 180.0° |
| C26 | C24 | C23 | H21 | 59.7° | 60.1° |
| C26 | C24 | H22 | H46 | 117.3° | 120.0° |
| C24 | C26 | C25 | H23 | 66.8° | 55.0° |
| C24 | C26 | H24 | H25 | 117.5° | 120.0° |
| C26 | C24 | C23 | H45 | 58.6° | 60.0° |
| C31 | C29 | C27 | H26 | 143.4° | 60.0° |
| C31 | C29 | C27 | H27 | 25.2° | 60.0° |
| C31 | C29 | H31 | H32 | 116.9° | 120.0° |
| C29 | C31 | H36 | H37 | 117.1° | 120.0° |
| C29 | C31 | C32 | H38 | 95.6° | 55.0° |
| C24 | C23 | C20 | C21 | 83.6° | 175.0° |
| C24 | C23 | C20 | H21 | 120.8° | 120.0° |
| C24 | C23 | C20 | H45 | 120.9° | 120.0° |
| C24 | C23 | C20 | C28 | 151.9° | 65.0° |
| C24 | C23 | C20 | H15 | 34.5° | 55.0° |
| C24 | C23 | H21 | H45 | 117.4° | 120.0° |
| C23 | C24 | H22 | H46 | 117.2° | 120.0° |
| C23 | C24 | C26 | H24 | 53.6° | 60.0° |
| C23 | C24 | C26 | H25 | 64.9° | 60.0° |
| C19 | C21 | C20 | H16 | 120.8° | 120.0° |
| C19 | C21 | C20 | H17 | 120.8° | 120.0° |
| C21 | C19 | C16 | H7 | 121.1° | 120.1° |
| C21 | C19 | C16 | H8 | 121.1° | 120.0° |
| C19 | C21 | C20 | C23 | 130.3° | 175.0° |
| C21 | C19 | C16 | C15 | 155.5° | 180.0° |
| C19 | C21 | C20 | C28 | 105.4° | 65.0° |
| C21 | C19 | H7 | H8 | 116.6° | 119.9° |
| C21 | C19 | C16 | H13 | 34.7° | 59.9° |
| C21 | C19 | C16 | H14 | 83.6° | 60.0° |
| C19 | C21 | C20 | H15 | 12.2° | 55.0° |
| C19 | C21 | H16 | H17 | 117.7° | 120.0° |
| C20 | C21 | C19 | C16 | 123.3° | 180.0° |
| C21 | C20 | C23 | C28 | 124.4° | 120.0° |
| C21 | C20 | C23 | H15 | 118.1° | 120.0° |
| C21 | C20 | C28 | H15 | 117.3° | 120.0° |
| C20 | C21 | C19 | H7 | 115.6° | 59.9° |
| C20 | C21 | C19 | H8 | 2.3° | 60.0° |
| C20 | C21 | H16 | H17 | 117.7° | 120.0° |
| C21 | C20 | C23 | H21 | 155.6° | 55.0° |
| C21 | C20 | C28 | H28 | 180.0° | 60.0° |
| C21 | C20 | C28 | H29 | 60.0° | 180.0° |
| C21 | C20 | C28 | H30 | 60.0° | 60.0° |
| C21 | C20 | C23 | H45 | 37.2° | 65.1° |
| C19 | C16 | C15 | H13 | 120.9° | 120.1° |
| C19 | C16 | C15 | H14 | 120.9° | 119.9° |
| C19 | C16 | C15 | C22 | 19.7° | 85.1° |
| C19 | C16 | C15 | C12 | 160.1° | 94.9° |
| C16 | C19 | H7 | H8 | 116.6° | 120.0° |
| C19 | C16 | H13 | H14 | 117.2° | 119.9° |
| C16 | C19 | C21 | H16 | 115.9° | 60.0° |
| C16 | C19 | C21 | H17 | 2.6° | 60.0° |
| C23 | C20 | C28 | H15 | 117.2° | 120.0° |
| C23 | C20 | C21 | H16 | 9.5° | 55.0° |
| C23 | C20 | C21 | H17 | 109.0° | 65.0° |
| C20 | C23 | H21 | H45 | 117.4° | 120.0° |
| C20 | C23 | C24 | H22 | 58.6° | 60.0° |
| C23 | C20 | C28 | H28 | 54.6° | 180.0° |
| C23 | C20 | C28 | H29 | 65.4° | 60.0° |
| C23 | C20 | C28 | H30 | 174.6° | 60.0° |
| C20 | C23 | C24 | H46 | 59.7° | 60.0° |
| C16 | C15 | C22 | C12 | 179.9° | 180.0° |
| C16 | C15 | C12 | C06 | 179.9° | 174.1° |
| C16 | C15 | C12 | H3 | 0.1° | 5.8° |
| C15 | C16 | C19 | H7 | 83.4° | 59.9° |
| C15 | C16 | C19 | H8 | 34.5° | 60.1° |
| C15 | C16 | H13 | H14 | 117.2° | 120.0° |
| C16 | C15 | C22 | H18 | 180.0° | 95.2° |
| C16 | C15 | C22 | H19 | 60.0° | 24.8° |
| C16 | C15 | C22 | H20 | 60.0° | 144.8° |
| C28 | C20 | C21 | H16 | 133.9° | 175.0° |
| C28 | C20 | C21 | H17 | 15.4° | 55.0° |
| C28 | C20 | C23 | H21 | 31.1° | 175.0° |
| C20 | C28 | H28 | H29 | 120.0° | 120.0° |
| C20 | C28 | H28 | H30 | 120.0° | 120.0° |
| C20 | C28 | H29 | H30 | 120.0° | 120.0° |
| C28 | C20 | C23 | H45 | 87.2° | 54.9° |
| C22 | C15 | C12 | C06 | 0.2° | 5.9° |
| C22 | C15 | C12 | H3 | 179.8° | 174.1° |
| C22 | C15 | C16 | H13 | 140.6° | 35.0° |
| C22 | C15 | C16 | H14 | 101.2° | 155.0° |
| C15 | C22 | H18 | H19 | 120.0° | 120.0° |
| C15 | C22 | H18 | H20 | 120.0° | 120.0° |
| C15 | C22 | H19 | H20 | 120.0° | 120.0° |
| C15 | C12 | C06 | H3 | 180.0° | 179.9° |
| C15 | C12 | C06 | C04 | 72.0° | 121.8° |
| C15 | C12 | C06 | H1 | 167.3° | 118.2° |
| C15 | C12 | C06 | H2 | 48.7° | 1.9° |
| C12 | C15 | C16 | H13 | 39.3° | 145.0° |
| C12 | C15 | C16 | H14 | 79.0° | 25.0° |
| C12 | C15 | C22 | H18 | 0.1° | 84.8° |
| C12 | C15 | C22 | H19 | 120.1° | 155.2° |
| C12 | C15 | C22 | H20 | 119.9° | 35.2° |
| C12 | C06 | C04 | H1 | 120.7° | 120.0° |
| C12 | C06 | C04 | H2 | 120.7° | 119.9° |
| C12 | C06 | C04 | O01 | 13.6° | 116.4° |
| C12 | C06 | C04 | C07 | 116.0° | 31.4° |
| C12 | C06 | C04 | C05 | 76.8° | 177.1° |
| C12 | C06 | H1 | H2 | 117.8° | 120.0° |
| C06 | C04 | C07 | O02 | 1.9° | 67.3° |
| C06 | C04 | O01 | C07 | 138.8° | 147.7° |
| C06 | C04 | O01 | C05 | 113.5° | 107.7° |
| C06 | C04 | C07 | C05 | 168.1° | 146.9° |
| C06 | C04 | C07 | C10 | 178.6° | 112.6° |
| C06 | C04 | C05 | C09 | 2.7° | 0.3° |
| C06 | C04 | C05 | C08 | 159.6° | 145.7° |
| C04 | C06 | H1 | H2 | 117.8° | 120.0° |
| C04 | C06 | C12 | H3 | 108.0° | 58.3° |
| O02 | C07 | C04 | O01 | 134.4° | 81.3° |
| O02 | C07 | C04 | C10 | 179.5° | 179.9° |
| O02 | C07 | C04 | C05 | 166.2° | 145.9° |
| O02 | C07 | C10 | C13 | 19.1° | 35.4° |
| O02 | C07 | C10 | C11 | 161.1° | 144.7° |
| O01 | C04 | C07 | C05 | 59.4° | 64.6° |
| O01 | C04 | C07 | C10 | 46.1° | 98.9° |
| C04 | O01 | C05 | C09 | 107.9° | 108.5° |
| O01 | C04 | C05 | C08 | 102.6° | 106.9° |
| O01 | C04 | C06 | H1 | 107.2° | 3.5° |
| O01 | C04 | C06 | H2 | 134.3° | 123.6° |
| C07 | C04 | C05 | C09 | 165.8° | 146.4° |
| C07 | C04 | C05 | C08 | 8.9° | 0.4° |
| C04 | C07 | C10 | C13 | 161.5° | 144.5° |
| C04 | C07 | C10 | C11 | 18.3° | 35.4° |
| C07 | C04 | C06 | H1 | 123.2° | 151.3° |
| C07 | C04 | C06 | H2 | 4.7° | 88.6° |
| C05 | C04 | C07 | C10 | 13.3° | 34.3° |
| C04 | C05 | C09 | C08 | 154.9° | 145.5° |
| C04 | C05 | C08 | C11 | 27.5° | 34.2° |
| C04 | C05 | C08 | O03 | 152.4° | 145.7° |
| C05 | C04 | C06 | H1 | 43.9° | 62.9° |
| C05 | C04 | C06 | H2 | 162.4° | 57.1° |
| C04 | C05 | C09 | H9 | 180.0° | 179.9° |
| C04 | C05 | C09 | H10 | 60.0° | 60.1° |
| C04 | C05 | C09 | H11 | 60.0° | 59.9° |
| O01 | C05 | C09 | C08 | 142.3° | 147.7° |
| O01 | C05 | C08 | C11 | 35.5° | 98.7° |
| O01 | C05 | C08 | O03 | 144.6° | 81.3° |
| O01 | C05 | C09 | H9 | 117.2° | 113.3° |
| O01 | C05 | C09 | H10 | 2.8° | 6.7° |
| O01 | C05 | C09 | H11 | 122.8° | 126.7° |
| C07 | C10 | C13 | C11 | 179.8° | 179.8° |
| C07 | C10 | C13 | C17 | 180.0° | 179.9° |
| C07 | C10 | C11 | C08 | 0.1° | 0.1° |
| C07 | C10 | C11 | C14 | 180.0° | 179.9° |
| C07 | C10 | C13 | H4 | 0.0° | 0.1° |
| C09 | C05 | C08 | C11 | 177.4° | 112.9° |
| C09 | C05 | C08 | O03 | 2.7° | 67.2° |
| C05 | C09 | H9 | H10 | 120.0° | 120.0° |
| C05 | C09 | H9 | H11 | 120.0° | 120.0° |
| C05 | C09 | H10 | H11 | 120.0° | 120.0° |
| C05 | C08 | C11 | C10 | 23.0° | 35.5° |
| C05 | C08 | C11 | O03 | 179.9° | 180.0° |
| C05 | C08 | C11 | C14 | 157.1° | 144.6° |
| C08 | C05 | C09 | H9 | 25.1° | 34.4° |
| C08 | C05 | C09 | H10 | 145.1° | 154.4° |
| C08 | C05 | C09 | H11 | 94.9° | 85.6° |
| C10 | C13 | C17 | H4 | 180.0° | 179.9° |
| C13 | C10 | C11 | C08 | 179.9° | 179.7° |
| C13 | C10 | C11 | C14 | 0.2° | 0.3° |
| C10 | C13 | C17 | C18 | 0.1° | 0.1° |
| C10 | C13 | C17 | H5 | 179.9° | 179.8° |
| C11 | C10 | C13 | C17 | 0.2° | 0.2° |
| C10 | C11 | C08 | C14 | 179.8° | 180.0° |
| C10 | C11 | C08 | O03 | 156.9° | 144.5° |
| C10 | C11 | C14 | C18 | 0.1° | 0.1° |
| C11 | C10 | C13 | H4 | 179.8° | 179.7° |
| C10 | C11 | C14 | H12 | 179.9° | 180.0° |
| C13 | C17 | C18 | H5 | 180.0° | 179.8° |
| C13 | C17 | C18 | C14 | 0.1° | 0.3° |
| C13 | C17 | C18 | H6 | 180.0° | 180.0° |
| C08 | C11 | C14 | C18 | 179.9° | 179.9° |
| C08 | C11 | C14 | H12 | 0.1° | 0.0° |
| O03 | C08 | C11 | C14 | 23.0° | 35.5° |
| C11 | C14 | C18 | C17 | 0.0° | 0.2° |
| C11 | C14 | C18 | H12 | 180.0° | 179.9° |
| C11 | C14 | C18 | H6 | 180.0° | 179.9° |
| C17 | C18 | C14 | H6 | 180.0° | 179.7° |
| C18 | C17 | C13 | H4 | 180.0° | 180.0° |
| C17 | C18 | C14 | H12 | 180.0° | 179.7° |
| C14 | C18 | C17 | H5 | 180.0° | 179.5° |
| H1 | C06 | C12 | H3 | 12.7° | 61.7° |
| H2 | C06 | C12 | H3 | 131.3° | 178.2° |
| H4 | C13 | C17 | H5 | 0.1° | 0.2° |
| H5 | C17 | C18 | H6 | 0.0° | 0.1° |
| H6 | C18 | C14 | H12 | 0.0° | 0.0° |
| H7 | C19 | C16 | H13 | 155.7° | 180.0° |
| H7 | C19 | C16 | H14 | 37.5° | 60.1° |
| H7 | C19 | C21 | H16 | 5.1° | 179.9° |
| H7 | C19 | C21 | H17 | 123.6° | 60.1° |
| H8 | C19 | C16 | H13 | 86.4° | 60.1° |
| H8 | C19 | C16 | H14 | 155.3° | 180.0° |
| H8 | C19 | C21 | H16 | 123.0° | 60.0° |
| H8 | C19 | C21 | H17 | 118.5° | 180.0° |
| H9 | C09 | H10 | H11 | 120.0° | 120.0° |
| H15 | C20 | C21 | H16 | 108.6° | 65.0° |
| H15 | C20 | C21 | H17 | 132.9° | 175.0° |
| H15 | C20 | C23 | H21 | 86.3° | 65.0° |
| H15 | C20 | C28 | H28 | 62.7° | 60.0° |
| H15 | C20 | C28 | H29 | 177.3° | 60.0° |
| H15 | C20 | C28 | H30 | 57.3° | 180.0° |
| H15 | C20 | C23 | H45 | 155.4° | 175.0° |
| H18 | C22 | H19 | H20 | 120.0° | 120.0° |
| H21 | C23 | C24 | H22 | 179.4° | 180.0° |
| H21 | C23 | C24 | H46 | 61.1° | 60.0° |
| H22 | C24 | C26 | H24 | 174.5° | 180.0° |
| H22 | C24 | C26 | H25 | 56.1° | 60.0° |
| H22 | C24 | C23 | H45 | 62.3° | 60.0° |
| H23 | C25 | C26 | H24 | 172.4° | 65.0° |
| H23 | C25 | C26 | H25 | 54.0° | 175.0° |
| H23 | C25 | C27 | H26 | 27.4° | 65.0° |
| H23 | C25 | C27 | H27 | 90.9° | 175.0° |
| H23 | C25 | C30 | H33 | 62.8° | 180.0° |
| H23 | C25 | C30 | H34 | 57.2° | 60.0° |
| H23 | C25 | C30 | H35 | 177.2° | 60.0° |
| H24 | C26 | C24 | H46 | 67.3° | 60.0° |
| H25 | C26 | C24 | H46 | 174.3° | 180.0° |
| H26 | C27 | C29 | H31 | 95.6° | 180.0° |
| H26 | C27 | C29 | H32 | 22.5° | 60.0° |
| H27 | C27 | C29 | H31 | 146.1° | 60.0° |
| H27 | C27 | C29 | H32 | 95.8° | 180.0° |
| H28 | C28 | H29 | H30 | 120.0° | 120.0° |
| H31 | C29 | C31 | H36 | 20.4° | 180.0° |
| H31 | C29 | C31 | H37 | 97.7° | 60.0° |
| H32 | C29 | C31 | H36 | 97.7° | 60.0° |
| H32 | C29 | C31 | H37 | 144.2° | 180.0° |
| H33 | C30 | H34 | H35 | 120.0° | 119.9° |
| H36 | C31 | C32 | H38 | 143.5° | 65.0° |
| H37 | C31 | C32 | H38 | 25.4° | 174.9° |
| H38 | C32 | C33 | H39 | 62.8° | 180.0° |
| H38 | C32 | C33 | H40 | 177.2° | 60.0° |
| H38 | C32 | C33 | H41 | 57.2° | 60.0° |
| H38 | C32 | C34 | H42 | 61.7° | 180.0° |
| H38 | C32 | C34 | H43 | 178.2° | 60.0° |
| H38 | C32 | C34 | H44 | 58.3° | 60.1° |
| H39 | C33 | H40 | H41 | 120.0° | 120.0° |
| H42 | C34 | H43 | H44 | 120.0° | 119.9° |
| H45 | C23 | C24 | H46 | 179.5° | 179.9° |
