A1EMC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.42Å | Aromatic |
| O13 | C12 | sing | 1.36Å | 1.40Å | |
| C08 | C07 | doub | 1.36Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.41Å | 1.42Å | Aromatic |
| C11 | C06 | sing | 1.42Å | 1.36Å | Aromatic |
| C12 | C02 | sing | 1.37Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.43Å | Aromatic |
| C06 | C04 | doub | 1.41Å | 1.42Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | C03 | doub | 1.39Å | 1.40Å | Aromatic |
| C04 | C03 | sing | 1.37Å | 1.40Å | Aromatic |
| C04 | O05 | sing | 1.36Å | 1.40Å | |
| C03 | C14 | sing | 1.51Å | 1.54Å | |
| C20 | C19 | sing | 1.51Å | 1.55Å | |
| C20 | C21 | doub | 1.31Å | 1.33Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C23 | C21 | sing | 1.51Å | 1.55Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.51Å | 1.55Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C15 | C16 | doub | 1.31Å | 1.33Å | |
| C24 | C25 | sing | 1.51Å | 1.55Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | C18 | sing | 1.51Å | 1.54Å | |
| C33 | C31 | sing | 1.51Å | 1.53Å | |
| C25 | C26 | doub | 1.31Å | 1.32Å | |
| C27 | C26 | sing | 1.51Å | 1.53Å | |
| C26 | C28 | sing | 1.51Å | 1.55Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.51Å | 1.54Å | |
| C31 | C30 | doub | 1.31Å | 1.33Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C10 | 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 | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.08Å | 1.08Å | |
| C08 | H18 | sing | 1.08Å | 1.08Å | |
| C09 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.08Å | 1.08Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| O05 | H41 | sing | 0.97Å | 0.95Å | |
| O13 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C09 | C08 | 120.1° | 121.0° |
| C09 | C10 | C11 | 119.9° | 119.7° |
| C09 | C10 | H1 | 120.1° | 120.2° |
| C10 | C09 | H19 | 120.0° | 119.5° |
| C09 | C08 | C07 | 120.0° | 121.0° |
| C09 | C08 | H18 | 120.0° | 119.5° |
| C08 | C09 | H19 | 120.0° | 119.5° |
| C10 | C11 | C12 | 119.9° | 121.3° |
| C10 | C11 | C06 | 120.1° | 119.4° |
| C11 | C10 | H1 | 120.1° | 120.1° |
| O13 | C12 | C11 | 119.5° | 120.2° |
| O13 | C12 | C02 | 120.2° | 120.1° |
| C12 | O13 | H42 | 109.5° | 114.0° |
| C08 | C07 | C06 | 119.9° | 119.7° |
| C08 | C07 | H17 | 120.0° | 120.2° |
| C07 | C08 | H18 | 120.0° | 119.5° |
| C12 | C11 | C06 | 120.0° | 119.4° |
| C11 | C12 | C02 | 120.3° | 119.7° |
| C11 | C06 | C07 | 120.0° | 119.4° |
| C11 | C06 | C04 | 120.1° | 119.4° |
| C12 | C02 | C01 | 119.0° | 119.5° |
| C12 | C02 | C03 | 119.7° | 121.0° |
| C07 | C06 | C04 | 119.9° | 121.3° |
| C06 | C07 | H17 | 120.0° | 120.1° |
| C06 | C04 | C03 | 120.2° | 119.7° |
| C06 | C04 | O05 | 119.7° | 120.2° |
| C01 | C02 | C03 | 121.3° | 119.5° |
| C02 | C01 | H14 | 109.5° | 109.4° |
| C02 | C01 | H16 | 109.5° | 109.5° |
| C02 | C01 | H15 | 109.5° | 109.4° |
| C02 | C03 | C04 | 119.7° | 121.0° |
| C02 | C03 | C14 | 121.4° | 119.5° |
| C03 | C04 | O05 | 120.1° | 120.2° |
| C04 | C03 | C14 | 118.9° | 119.5° |
| C04 | O05 | H41 | 109.5° | 114.0° |
| C03 | C14 | C15 | 108.4° | 109.5° |
| C03 | C14 | H21 | 109.8° | 109.5° |
| C03 | C14 | H20 | 109.7° | 109.5° |
| C19 | C20 | C21 | 121.2° | 120.0° |
| C20 | C19 | C18 | 109.4° | 109.5° |
| C19 | C20 | H6 | 119.4° | 120.0° |
| C20 | C19 | H24 | 109.5° | 109.4° |
| C20 | C19 | H25 | 109.5° | 109.4° |
| C20 | C21 | C23 | 119.2° | 120.0° |
| C20 | C21 | C22 | 121.3° | 120.0° |
| C21 | C20 | H6 | 119.4° | 120.0° |
| C19 | C18 | C16 | 108.4° | 109.5° |
| C19 | C18 | H22 | 109.8° | 109.5° |
| C19 | C18 | H23 | 109.7° | 109.5° |
| C18 | C19 | H24 | 109.5° | 109.5° |
| C18 | C19 | H25 | 109.5° | 109.5° |
| C21 | C23 | C24 | 108.0° | 109.5° |
| C23 | C21 | C22 | 119.6° | 120.0° |
| C21 | C23 | H27 | 109.9° | 109.5° |
| C21 | C23 | H26 | 109.9° | 109.5° |
| C23 | C24 | C25 | 110.1° | 109.5° |
| C23 | C24 | H11 | 109.3° | 109.5° |
| C23 | C24 | H10 | 109.3° | 109.5° |
| C24 | C23 | H27 | 109.8° | 109.5° |
| C24 | C23 | H26 | 109.8° | 109.4° |
| C14 | C15 | C16 | 123.0° | 120.0° |
| C14 | C15 | H2 | 118.5° | 120.0° |
| C15 | C14 | H21 | 109.7° | 109.5° |
| C15 | C14 | H20 | 109.7° | 109.4° |
| C21 | C22 | H7 | 109.5° | 109.5° |
| C21 | C22 | H8 | 109.5° | 109.5° |
| C21 | C22 | H9 | 109.4° | 109.5° |
| C15 | C16 | C17 | 122.5° | 120.0° |
| C15 | C16 | C18 | 119.3° | 120.0° |
| C16 | C15 | H2 | 118.4° | 120.0° |
| C24 | C25 | C26 | 120.4° | 120.0° |
| C25 | C24 | H11 | 109.3° | 109.5° |
| C25 | C24 | H10 | 109.3° | 109.4° |
| C24 | C25 | H28 | 119.8° | 120.0° |
| C17 | C16 | C18 | 118.2° | 120.0° |
| C16 | C17 | H3 | 109.5° | 109.4° |
| C16 | C17 | H4 | 109.4° | 109.4° |
| C16 | C17 | H5 | 109.4° | 109.5° |
| C16 | C18 | H22 | 109.7° | 109.5° |
| C16 | C18 | H23 | 109.8° | 109.5° |
| C33 | C31 | C30 | 120.1° | 120.0° |
| C33 | C31 | C32 | 120.1° | 120.0° |
| C31 | C33 | H40 | 109.5° | 109.5° |
| C31 | C33 | H38 | 109.5° | 109.4° |
| C31 | C33 | H39 | 109.5° | 109.5° |
| C25 | C26 | C27 | 120.7° | 120.0° |
| C25 | C26 | C28 | 119.7° | 120.0° |
| C26 | C25 | H28 | 119.8° | 120.0° |
| C27 | C26 | C28 | 119.6° | 120.0° |
| C26 | C27 | H30 | 109.5° | 109.5° |
| C26 | C27 | H29 | 109.4° | 109.4° |
| C26 | C27 | H31 | 109.4° | 109.4° |
| C26 | C28 | C29 | 108.7° | 109.4° |
| C26 | C28 | H12 | 109.7° | 109.5° |
| C26 | C28 | H13 | 109.7° | 109.4° |
| C28 | C29 | C30 | 112.5° | 109.5° |
| C29 | C28 | H12 | 109.6° | 109.5° |
| C29 | C28 | H13 | 109.6° | 109.5° |
| C28 | C29 | H33 | 108.7° | 109.5° |
| C28 | C29 | H32 | 108.7° | 109.6° |
| C29 | C30 | C31 | 120.0° | 120.0° |
| C30 | C29 | H33 | 108.7° | 109.5° |
| C30 | C29 | H32 | 108.7° | 109.4° |
| C29 | C30 | H34 | 120.0° | 120.0° |
| C30 | C31 | C32 | 119.9° | 120.0° |
| C31 | C30 | H34 | 119.9° | 120.0° |
| C31 | C32 | H36 | 109.5° | 109.4° |
| C31 | C32 | H37 | 109.5° | 109.5° |
| C31 | C32 | H35 | 109.5° | 109.5° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H3 | C17 | H5 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H7 | C22 | H9 | 109.5° | 109.4° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H11 | C24 | H10 | 109.5° | 109.5° |
| H12 | C28 | H13 | 109.5° | 109.5° |
| H14 | C01 | H16 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.4° | 109.5° |
| H16 | C01 | H15 | 109.5° | 109.5° |
| H21 | C14 | H20 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.4° | 109.4° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H27 | C23 | H26 | 109.5° | 109.4° |
| H30 | C27 | H29 | 109.5° | 109.5° |
| H30 | C27 | H31 | 109.5° | 109.5° |
| H29 | C27 | H31 | 109.5° | 109.5° |
| H33 | C29 | H32 | 109.5° | 109.4° |
| H36 | C32 | H37 | 109.5° | 109.5° |
| H36 | C32 | H35 | 109.5° | 109.5° |
| H37 | C32 | H35 | 109.5° | 109.4° |
| H40 | C33 | H38 | 109.5° | 109.5° |
| H40 | C33 | H39 | 109.4° | 109.5° |
| H38 | C33 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C09 | C08 | H19 | 180.0° | 180.0° |
| C09 | C10 | C11 | H1 | 180.0° | 179.8° |
| C10 | C09 | C08 | C07 | 0.1° | 0.6° |
| C09 | C10 | C11 | C12 | 180.0° | 179.7° |
| C09 | C10 | C11 | C06 | 0.1° | 0.2° |
| C10 | C09 | C08 | H18 | 179.9° | 179.8° |
| C08 | C09 | C10 | C11 | 0.1° | 0.0° |
| C09 | C08 | C07 | H18 | 180.0° | 179.2° |
| C09 | C08 | C07 | C06 | 0.1° | 0.8° |
| C08 | C09 | C10 | H1 | 179.9° | 179.8° |
| C09 | C08 | C07 | H17 | 179.9° | 179.8° |
| C10 | C11 | C12 | O13 | 0.0° | 0.1° |
| C10 | C11 | C12 | C06 | 179.9° | 179.9° |
| C10 | C11 | C12 | C02 | 180.0° | 180.0° |
| C10 | C11 | C06 | C07 | 0.1° | 0.1° |
| C10 | C11 | C06 | C04 | 180.0° | 180.0° |
| C11 | C10 | C09 | H19 | 179.9° | 180.0° |
| O13 | C12 | C11 | C02 | 180.0° | 179.9° |
| O13 | C12 | C11 | C06 | 180.0° | 180.0° |
| O13 | C12 | C02 | C01 | 0.2° | 0.1° |
| O13 | C12 | C02 | C03 | 179.9° | 180.0° |
| C08 | C07 | C06 | C11 | 0.1° | 0.6° |
| C08 | C07 | C06 | H17 | 180.0° | 179.4° |
| C08 | C07 | C06 | C04 | 180.0° | 179.5° |
| C07 | C08 | C09 | H19 | 179.9° | 179.5° |
| C12 | C11 | C06 | C07 | 180.0° | 180.0° |
| C12 | C11 | C06 | C04 | 0.0° | 0.1° |
| C11 | C12 | C02 | C01 | 179.9° | 180.0° |
| C11 | C12 | C02 | C03 | 0.0° | 0.0° |
| C12 | C11 | C10 | H1 | 0.0° | 0.1° |
| C11 | C12 | O13 | H42 | 180.0° | 89.9° |
| C06 | C11 | C12 | C02 | 0.1° | 0.1° |
| C11 | C06 | C07 | C04 | 179.9° | 180.0° |
| C11 | C06 | C04 | C03 | 0.1° | 0.1° |
| C11 | C06 | C04 | O05 | 180.0° | 180.0° |
| C06 | C11 | C10 | H1 | 179.9° | 180.0° |
| C11 | C06 | C07 | H17 | 179.9° | 180.0° |
| C12 | C02 | C01 | C03 | 179.9° | 180.0° |
| C12 | C02 | C03 | C04 | 0.2° | 0.0° |
| C12 | C02 | C03 | C14 | 179.7° | 180.0° |
| C12 | C02 | C01 | H14 | 89.9° | 90.0° |
| C12 | C02 | C01 | H16 | 150.0° | 30.0° |
| C12 | C02 | C01 | H15 | 30.0° | 150.0° |
| C02 | C12 | O13 | H42 | 0.1° | 90.0° |
| C07 | C06 | C04 | C03 | 179.8° | 180.0° |
| C07 | C06 | C04 | O05 | 0.0° | 0.1° |
| C06 | C07 | C08 | H18 | 179.9° | 179.9° |
| C06 | C04 | C03 | C02 | 0.2° | 0.0° |
| C06 | C04 | C03 | O05 | 179.9° | 179.9° |
| C06 | C04 | C03 | C14 | 179.8° | 180.0° |
| C04 | C06 | C07 | H17 | 0.0° | 0.1° |
| C06 | C04 | O05 | H41 | 180.0° | 90.0° |
| C01 | C02 | C03 | C04 | 179.7° | 180.0° |
| C01 | C02 | C03 | C14 | 0.2° | 0.0° |
| C02 | C01 | H14 | H16 | 120.0° | 120.0° |
| C02 | C01 | H14 | H15 | 120.0° | 120.0° |
| C02 | C01 | H16 | H15 | 120.0° | 120.0° |
| C02 | C03 | C04 | C14 | 179.6° | 180.0° |
| C02 | C03 | C04 | O05 | 179.9° | 180.0° |
| C02 | C03 | C14 | C15 | 85.8° | 90.0° |
| C03 | C02 | C01 | H14 | 90.0° | 90.0° |
| C03 | C02 | C01 | H16 | 30.1° | 150.0° |
| C03 | C02 | C01 | H15 | 150.0° | 30.0° |
| C02 | C03 | C14 | H21 | 154.4° | 30.0° |
| C02 | C03 | C14 | H20 | 34.1° | 150.0° |
| C04 | C03 | C14 | C15 | 93.8° | 90.0° |
| C04 | C03 | C14 | H21 | 26.0° | 150.0° |
| C04 | C03 | C14 | H20 | 146.4° | 30.0° |
| C03 | C04 | O05 | H41 | 0.1° | 90.0° |
| O05 | C04 | C03 | C14 | 0.3° | 0.1° |
| C03 | C14 | C15 | H21 | 119.8° | 120.0° |
| C03 | C14 | C15 | H20 | 119.8° | 120.0° |
| C03 | C14 | C15 | C16 | 124.3° | 125.9° |
| C03 | C14 | C15 | H2 | 55.7° | 54.1° |
| C03 | C14 | H21 | H20 | 120.5° | 120.0° |
| C19 | C20 | C21 | H6 | 180.0° | 180.0° |
| C20 | C19 | C18 | H24 | 120.0° | 120.0° |
| C20 | C19 | C18 | H25 | 120.0° | 120.0° |
| C19 | C20 | C21 | C23 | 179.6° | 175.0° |
| C19 | C20 | C21 | C22 | 0.0° | 4.9° |
| C20 | C19 | C18 | C16 | 140.5° | 180.0° |
| C20 | C19 | C18 | H22 | 99.6° | 60.0° |
| C20 | C19 | C18 | H23 | 20.7° | 60.0° |
| C20 | C19 | H24 | H25 | 120.0° | 120.0° |
| C21 | C20 | C19 | C18 | 81.3° | 120.4° |
| C20 | C21 | C23 | C22 | 179.6° | 179.9° |
| C20 | C21 | C23 | C24 | 87.9° | 94.9° |
| C20 | C21 | C22 | H7 | 180.0° | 64.8° |
| C20 | C21 | C22 | H8 | 60.0° | 175.2° |
| C20 | C21 | C22 | H9 | 60.0° | 55.1° |
| C21 | C20 | C19 | H24 | 158.7° | 119.6° |
| C21 | C20 | C19 | H25 | 38.7° | 0.4° |
| C20 | C21 | C23 | H27 | 152.3° | 145.0° |
| C20 | C21 | C23 | H26 | 31.8° | 25.0° |
| C19 | C18 | C16 | C15 | 114.2° | 95.0° |
| C19 | C18 | C16 | C17 | 65.4° | 85.0° |
| C19 | C18 | C16 | H22 | 119.9° | 120.0° |
| C19 | C18 | C16 | H23 | 119.8° | 120.0° |
| C18 | C19 | C20 | H6 | 98.7° | 59.6° |
| C19 | C18 | H22 | H23 | 120.5° | 120.0° |
| C18 | C19 | H24 | H25 | 120.0° | 120.1° |
| C21 | C23 | C24 | H27 | 119.8° | 120.1° |
| C21 | C23 | C24 | H26 | 119.8° | 120.0° |
| C21 | C23 | C24 | C25 | 119.2° | NaN° |
| C23 | C21 | C20 | H6 | 0.4° | 5.0° |
| C23 | C21 | C22 | H7 | 0.4° | 115.2° |
| C23 | C21 | C22 | H8 | 119.6° | 4.7° |
| C23 | C21 | C22 | H9 | 120.4° | 124.8° |
| C21 | C23 | C24 | H11 | 120.8° | 60.0° |
| C21 | C23 | C24 | H10 | 0.9° | 60.1° |
| C21 | C23 | H27 | H26 | 120.7° | 120.0° |
| C24 | C23 | C21 | C22 | 91.7° | 85.0° |
| C23 | C24 | C25 | H11 | 120.1° | 120.1° |
| C23 | C24 | C25 | H10 | 120.1° | 120.0° |
| C23 | C24 | C25 | C26 | 166.0° | 125.9° |
| C23 | C24 | H11 | H10 | 119.7° | 120.0° |
| C24 | C23 | H27 | H26 | 120.7° | 119.9° |
| C23 | C24 | C25 | H28 | 14.0° | 54.1° |
| C14 | C15 | C16 | H2 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.2° | 4.9° |
| C14 | C15 | C16 | C18 | 179.8° | 175.0° |
| C15 | C14 | H21 | H20 | 120.5° | 119.9° |
| C22 | C21 | C20 | H6 | 180.0° | 175.0° |
| C21 | C22 | H7 | H8 | 120.0° | 120.0° |
| C21 | C22 | H7 | H9 | 120.0° | 120.0° |
| C21 | C22 | H8 | H9 | 120.0° | 120.1° |
| C22 | C21 | C23 | H27 | 28.0° | 35.1° |
| C22 | C21 | C23 | H26 | 148.5° | 155.0° |
| C15 | C16 | C17 | C18 | 179.6° | 180.0° |
| C15 | C16 | C17 | H3 | 180.0° | 64.9° |
| C15 | C16 | C17 | H4 | 60.0° | 175.2° |
| C15 | C16 | C17 | H5 | 60.0° | 55.1° |
| C16 | C15 | C14 | H21 | 115.9° | 114.1° |
| C16 | C15 | C14 | H20 | 4.5° | 5.8° |
| C15 | C16 | C18 | H22 | 126.0° | 145.0° |
| C15 | C16 | C18 | H23 | 5.6° | 25.0° |
| C24 | C25 | C26 | H28 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.5° | 5.6° |
| C24 | C25 | C26 | C28 | 179.9° | 174.4° |
| C25 | C24 | H11 | H10 | 119.7° | 119.9° |
| C25 | C24 | C23 | H27 | 0.6° | 59.9° |
| C25 | C24 | C23 | H26 | 121.1° | 60.0° |
| C17 | C16 | C15 | H2 | 179.8° | 175.0° |
| C16 | C17 | H3 | H4 | 120.0° | 119.9° |
| C16 | C17 | H3 | H5 | 120.0° | 120.0° |
| C16 | C17 | H4 | H5 | 119.9° | 120.0° |
| C17 | C16 | C18 | H22 | 54.4° | 35.0° |
| C17 | C16 | C18 | H23 | 174.7° | 155.0° |
| C18 | C16 | C15 | H2 | 0.2° | 5.0° |
| C18 | C16 | C17 | H3 | 0.4° | 115.1° |
| C18 | C16 | C17 | H4 | 120.4° | 4.9° |
| C18 | C16 | C17 | H5 | 119.6° | 124.9° |
| C16 | C18 | H22 | H23 | 120.5° | 120.0° |
| C16 | C18 | C19 | H24 | 20.6° | 60.0° |
| C16 | C18 | C19 | H25 | 99.5° | 60.0° |
| C33 | C31 | C30 | C29 | 0.2° | 175.5° |
| C33 | C31 | C30 | C32 | 179.8° | 180.0° |
| C33 | C31 | C30 | H34 | 179.8° | 4.4° |
| C33 | C31 | C32 | H36 | 180.0° | 95.4° |
| C33 | C31 | C32 | H37 | 60.0° | 24.6° |
| C33 | C31 | C32 | H35 | 60.0° | 144.5° |
| C31 | C33 | H40 | H38 | 120.0° | 119.9° |
| C31 | C33 | H40 | H39 | 120.0° | 120.0° |
| C31 | C33 | H38 | H39 | 120.0° | 120.0° |
| C25 | C26 | C27 | C28 | 179.6° | 180.0° |
| C25 | C26 | C28 | C29 | 113.8° | 95.0° |
| C26 | C25 | C24 | H11 | 45.9° | 5.8° |
| C26 | C25 | C24 | H10 | 74.0° | 114.2° |
| C25 | C26 | C28 | H12 | 126.3° | 145.0° |
| C25 | C26 | C28 | H13 | 6.1° | 25.0° |
| C25 | C26 | C27 | H30 | 180.0° | 84.7° |
| C25 | C26 | C27 | H29 | 60.0° | 35.3° |
| C25 | C26 | C27 | H31 | 60.0° | 155.3° |
| C27 | C26 | C28 | C29 | 66.7° | 85.0° |
| C27 | C26 | C28 | H12 | 53.2° | 35.0° |
| C27 | C26 | C28 | H13 | 173.5° | 155.0° |
| C27 | C26 | C25 | H28 | 179.5° | 174.4° |
| C26 | C27 | H30 | H29 | 120.0° | 120.0° |
| C26 | C27 | H30 | H31 | 120.0° | 119.9° |
| C26 | C27 | H29 | H31 | 120.0° | 119.9° |
| C26 | C28 | C29 | H12 | 119.9° | 120.0° |
| C26 | C28 | C29 | H13 | 119.9° | 120.0° |
| C26 | C28 | C29 | C30 | 168.5° | 180.0° |
| C26 | C28 | H12 | H13 | 120.4° | 120.0° |
| C28 | C26 | C25 | H28 | 0.1° | 5.5° |
| C28 | C26 | C27 | H30 | 0.5° | 95.3° |
| C28 | C26 | C27 | H29 | 120.5° | 144.7° |
| C28 | C26 | C27 | H31 | 119.5° | 24.7° |
| C26 | C28 | C29 | H33 | 48.1° | 60.0° |
| C26 | C28 | C29 | H32 | 71.0° | 60.0° |
| C28 | C29 | C30 | H33 | 120.5° | 120.0° |
| C28 | C29 | C30 | H32 | 120.4° | 120.1° |
| C28 | C29 | C30 | C31 | 179.1° | 125.6° |
| C29 | C28 | H12 | H13 | 120.3° | 120.1° |
| C28 | C29 | H33 | H32 | 118.6° | 120.1° |
| C28 | C29 | C30 | H34 | 0.9° | 54.3° |
| C29 | C30 | C31 | H34 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 179.9° | 4.5° |
| C30 | C29 | C28 | H12 | 71.6° | 60.0° |
| C30 | C29 | C28 | H13 | 48.7° | 60.0° |
| C30 | C29 | H33 | H32 | 118.6° | 119.9° |
| C31 | C30 | C29 | H33 | 60.4° | 5.6° |
| C31 | C30 | C29 | H32 | 58.7° | 114.3° |
| C30 | C31 | C32 | H36 | 0.2° | 84.6° |
| C30 | C31 | C32 | H37 | 119.8° | 155.4° |
| C30 | C31 | C32 | H35 | 120.2° | 35.5° |
| C30 | C31 | C33 | H40 | 180.0° | 0.0° |
| C30 | C31 | C33 | H38 | 60.0° | 120.0° |
| C30 | C31 | C33 | H39 | 60.0° | 120.0° |
| C32 | C31 | C30 | H34 | 0.1° | 175.6° |
| C31 | C32 | H36 | H37 | 120.0° | 120.0° |
| C31 | C32 | H36 | H35 | 120.0° | 120.1° |
| C31 | C32 | H37 | H35 | 120.0° | 120.0° |
| C32 | C31 | C33 | H40 | 0.2° | 180.0° |
| C32 | C31 | C33 | H38 | 119.8° | 60.0° |
| C32 | C31 | C33 | H39 | 120.1° | 60.0° |
| H1 | C10 | C09 | H19 | 0.1° | 0.2° |
| H2 | C15 | C14 | H21 | 64.1° | 65.9° |
| H2 | C15 | C14 | H20 | 175.5° | 174.1° |
| H3 | C17 | H4 | H5 | 120.0° | 120.0° |
| H6 | C20 | C19 | H24 | 21.3° | 60.4° |
| H6 | C20 | C19 | H25 | 141.3° | 179.7° |
| H7 | C22 | H8 | H9 | 120.0° | 119.9° |
| H11 | C24 | C23 | H27 | 119.5° | 179.9° |
| H11 | C24 | C23 | H26 | 1.0° | 60.0° |
| H11 | C24 | C25 | H28 | 134.2° | 174.2° |
| H10 | C24 | C23 | H27 | 120.7° | 60.0° |
| H10 | C24 | C23 | H26 | 118.8° | 180.0° |
| H10 | C24 | C25 | H28 | 106.0° | 65.8° |
| H12 | C28 | C29 | H33 | 168.0° | 180.0° |
| H12 | C28 | C29 | H32 | 48.9° | 60.0° |
| H13 | C28 | C29 | H33 | 71.8° | 60.0° |
| H13 | C28 | C29 | H32 | 169.1° | 180.0° |
| H14 | C01 | H16 | H15 | 120.0° | 120.1° |
| H17 | C07 | C08 | H18 | 0.1° | 0.5° |
| H18 | C08 | C09 | H19 | 0.1° | 0.2° |
| H22 | C18 | C19 | H24 | 140.4° | 60.0° |
| H22 | C18 | C19 | H25 | 20.4° | 180.0° |
| H23 | C18 | C19 | H24 | 99.3° | 179.9° |
| H23 | C18 | C19 | H25 | 140.7° | 60.0° |
| H30 | C27 | H29 | H31 | 120.0° | 120.0° |
| H33 | C29 | C30 | H34 | 119.6° | 174.3° |
| H32 | C29 | C30 | H34 | 121.4° | 65.7° |
| H36 | C32 | H37 | H35 | 120.0° | 120.0° |
| H40 | C33 | H38 | H39 | 119.9° | 120.1° |
