EFD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C01 | sing | 1.51Å | 1.51Å | |
| C01 | C06 | doub | 1.40Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.48Å | 1.52Å | |
| C05 | F22 | sing | 1.35Å | 1.34Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C07 | O08 | doub | 1.22Å | 1.22Å | |
| C07 | N09 | sing | 1.35Å | 1.43Å | |
| C10 | N09 | sing | 1.47Å | 1.37Å | |
| C10 | C12 | sing | 1.53Å | 1.40Å | |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| N24 | C18 | sing | 1.40Å | 1.43Å | |
| N24 | C25 | sing | 1.46Å | 1.42Å | |
| N09 | C11 | sing | 1.47Å | 1.37Å | |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.54Å | 1.52Å | |
| C26 | C27 | sing | 1.55Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.38Å | |
| C25 | C29 | sing | 1.54Å | 1.51Å | |
| C15 | C11 | sing | 1.51Å | 1.54Å | |
| C15 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.55Å | 1.51Å | |
| C11 | C14 | sing | 1.53Å | 1.40Å | |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.37Å | |
| C29 | C28 | sing | 1.54Å | 1.52Å | |
| C14 | C23 | sing | 1.51Å | 1.52Å | |
| C23 | N31 | sing | 1.35Å | 1.42Å | |
| C23 | O30 | doub | 1.21Å | 1.22Å | |
| N31 | C32 | sing | 1.40Å | 1.43Å | |
| C32 | C37 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C39 | sing | 1.51Å | 1.52Å | |
| F42 | C39 | sing | 1.40Å | 1.34Å | |
| C35 | C38 | sing | 1.51Å | 1.51Å | |
| C39 | F41 | sing | 1.40Å | 1.34Å | |
| C39 | F40 | sing | 1.40Å | 1.33Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| N24 | H19 | sing | 0.97Å | 1.00Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| N31 | H29 | sing | 0.97Å | 1.00Å | |
| C33 | H30 | sing | 1.08Å | 1.08Å | |
| C36 | H31 | sing | 1.08Å | 1.08Å | |
| C37 | H32 | sing | 1.08Å | 1.08Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C38 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C01 | 120.1° | 120.2° |
| C02 | C03 | C04 | 119.7° | 120.3° |
| C03 | C02 | H4 | 119.9° | 119.9° |
| C02 | C03 | H5 | 120.1° | 119.9° |
| C02 | C01 | C21 | 120.2° | 120.1° |
| C02 | C01 | C06 | 120.4° | 119.9° |
| C01 | C02 | H4 | 120.0° | 119.9° |
| C03 | C04 | C05 | 120.1° | 120.1° |
| C04 | C03 | H5 | 120.1° | 119.8° |
| C03 | C04 | H6 | 119.9° | 120.0° |
| C21 | C01 | C06 | 119.5° | 120.0° |
| C01 | C21 | H16 | 109.5° | 109.5° |
| C01 | C21 | H17 | 109.5° | 109.4° |
| C01 | C21 | H18 | 109.5° | 109.4° |
| C01 | C06 | C05 | 119.5° | 119.7° |
| C01 | C06 | C07 | 120.6° | 120.2° |
| C04 | C05 | C06 | 120.2° | 119.7° |
| C04 | C05 | F22 | 119.6° | 120.1° |
| C05 | C04 | H6 | 119.9° | 119.9° |
| C05 | C06 | C07 | 119.8° | 120.1° |
| C06 | C05 | F22 | 120.3° | 120.1° |
| C06 | C07 | O08 | 118.3° | 119.9° |
| C06 | C07 | N09 | 121.8° | 120.0° |
| C16 | C17 | C18 | 121.0° | 119.9° |
| C17 | C16 | C15 | 121.5° | 120.0° |
| C17 | C16 | H12 | 119.3° | 120.0° |
| C16 | C17 | H13 | 119.5° | 120.0° |
| C17 | C18 | N24 | 119.0° | 120.1° |
| C17 | C18 | C19 | 118.7° | 119.9° |
| C18 | C17 | H13 | 119.5° | 120.1° |
| O08 | C07 | N09 | 119.9° | 120.0° |
| C07 | N09 | C10 | 121.0° | 120.6° |
| C07 | N09 | C11 | 119.3° | 120.7° |
| N09 | C10 | C12 | 110.2° | 108.8° |
| C10 | N09 | C11 | 119.6° | 118.7° |
| N09 | C10 | H1 | 109.3° | 109.6° |
| N09 | C10 | H2 | 109.3° | 109.6° |
| C10 | C12 | C13 | 112.6° | 109.3° |
| C12 | C10 | H1 | 109.3° | 109.6° |
| C12 | C10 | H2 | 109.3° | 109.6° |
| C10 | C12 | H7 | 108.7° | 109.4° |
| C10 | C12 | H8 | 108.7° | 109.5° |
| C16 | C15 | C11 | 119.0° | 119.9° |
| C16 | C15 | C20 | 117.2° | 120.2° |
| C15 | C16 | H12 | 119.3° | 119.9° |
| C18 | N24 | C25 | 111.9° | 120.0° |
| N24 | C18 | C19 | 122.3° | 120.0° |
| C18 | N24 | H19 | 108.8° | 120.0° |
| N24 | C25 | C26 | 108.5° | 110.0° |
| N24 | C25 | C29 | 111.0° | 110.0° |
| C25 | N24 | H19 | 108.9° | 120.0° |
| N24 | C25 | H20 | 111.2° | 110.0° |
| N09 | C11 | C15 | 114.0° | 109.7° |
| N09 | C11 | C14 | 105.8° | 108.7° |
| N09 | C11 | H3 | 107.2° | 109.6° |
| C18 | C19 | C20 | 120.1° | 119.9° |
| C18 | C19 | H14 | 119.9° | 120.0° |
| C25 | C26 | C27 | 108.7° | 104.2° |
| C26 | C25 | C29 | 106.2° | 106.6° |
| C26 | C25 | H20 | 109.9° | 110.1° |
| C25 | C26 | H21 | 109.6° | 110.5° |
| C25 | C26 | H22 | 109.7° | 110.5° |
| C26 | C27 | C28 | 106.8° | 102.7° |
| C27 | C26 | H21 | 109.6° | 110.5° |
| C27 | C26 | H22 | 109.7° | 110.5° |
| C26 | C27 | H23 | 110.1° | 110.8° |
| C26 | C27 | H24 | 110.1° | 110.7° |
| C12 | C13 | C14 | 110.2° | 109.5° |
| C13 | C12 | H7 | 108.7° | 109.5° |
| C13 | C12 | H8 | 108.7° | 109.5° |
| C12 | C13 | H9 | 109.3° | 109.5° |
| C12 | C13 | H10 | 109.3° | 109.5° |
| C25 | C29 | C28 | 107.7° | 106.6° |
| C29 | C25 | H20 | 109.9° | 110.0° |
| C25 | C29 | H27 | 109.9° | 110.0° |
| C25 | C29 | H28 | 109.9° | 110.0° |
| C11 | C15 | C20 | 123.7° | 119.9° |
| C15 | C11 | C14 | 117.1° | 109.6° |
| C15 | C11 | H3 | 105.3° | 109.6° |
| C15 | C20 | C19 | 121.5° | 120.1° |
| C15 | C20 | H15 | 119.2° | 120.0° |
| C27 | C28 | C29 | 106.7° | 104.2° |
| C28 | C27 | H23 | 110.1° | 110.8° |
| C28 | C27 | H24 | 110.1° | 110.7° |
| C27 | C28 | H25 | 110.1° | 110.5° |
| C27 | C28 | H26 | 110.1° | 110.5° |
| C11 | C14 | C13 | 110.9° | 109.3° |
| C11 | C14 | C23 | 113.6° | 109.5° |
| C14 | C11 | H3 | 106.9° | 109.7° |
| C11 | C14 | H11 | 106.4° | 109.5° |
| C20 | C19 | H14 | 119.9° | 120.1° |
| C19 | C20 | H15 | 119.3° | 119.9° |
| C13 | C14 | C23 | 113.5° | 109.5° |
| C14 | C13 | H9 | 109.3° | 109.5° |
| C14 | C13 | H10 | 109.3° | 109.5° |
| C13 | C14 | H11 | 106.7° | 109.4° |
| C29 | C28 | H25 | 110.1° | 110.5° |
| C29 | C28 | H26 | 110.2° | 110.6° |
| C28 | C29 | H27 | 109.9° | 110.1° |
| C28 | C29 | H28 | 109.9° | 110.0° |
| C14 | C23 | N31 | 118.0° | 120.0° |
| C14 | C23 | O30 | 120.2° | 120.0° |
| C23 | C14 | H11 | 105.0° | 109.5° |
| N31 | C23 | O30 | 121.7° | 120.0° |
| C23 | N31 | C32 | 126.4° | 120.0° |
| C23 | N31 | H29 | 116.8° | 120.0° |
| N31 | C32 | C37 | 118.2° | 120.1° |
| N31 | C32 | C33 | 122.5° | 120.0° |
| C32 | N31 | H29 | 116.8° | 120.0° |
| C37 | C32 | C33 | 119.3° | 119.9° |
| C32 | C37 | C36 | 120.2° | 120.0° |
| C32 | C37 | H32 | 119.9° | 120.1° |
| C32 | C33 | C34 | 120.8° | 119.9° |
| C32 | C33 | H30 | 119.6° | 120.1° |
| C37 | C36 | C35 | 120.4° | 120.0° |
| C37 | C36 | H31 | 119.8° | 120.0° |
| C36 | C37 | H32 | 119.9° | 120.0° |
| C33 | C34 | C35 | 119.5° | 120.0° |
| C33 | C34 | C39 | 118.7° | 120.0° |
| C34 | C33 | H30 | 119.6° | 120.0° |
| C36 | C35 | C34 | 119.8° | 120.2° |
| C36 | C35 | C38 | 118.9° | 119.9° |
| C35 | C36 | H31 | 119.8° | 120.0° |
| C35 | C34 | C39 | 121.8° | 120.0° |
| C34 | C35 | C38 | 121.3° | 119.9° |
| C34 | C39 | F42 | 109.2° | 109.4° |
| C34 | C39 | F41 | 110.7° | 109.4° |
| C34 | C39 | F40 | 110.2° | 109.5° |
| F42 | C39 | F41 | 109.3° | 109.5° |
| F42 | C39 | F40 | 109.0° | 109.5° |
| C35 | C38 | H33 | 109.5° | 109.5° |
| C35 | C38 | H34 | 109.5° | 109.5° |
| C35 | C38 | H35 | 109.4° | 109.5° |
| F41 | C39 | F40 | 108.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.7° |
| H7 | C12 | H8 | 109.4° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.4° | 109.5° |
| H16 | C21 | H18 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.5° |
| H21 | C26 | H22 | 109.5° | 110.5° |
| H23 | C27 | H24 | 109.5° | 110.8° |
| H25 | C28 | H26 | 109.5° | 110.4° |
| H27 | C29 | H28 | 109.5° | 110.1° |
| H33 | C38 | H34 | 109.5° | 109.5° |
| H33 | C38 | H35 | 109.5° | 109.5° |
| H34 | C38 | H35 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C01 | H4 | 180.0° | 180.0° |
| C02 | C03 | C04 | H5 | 180.0° | 180.0° |
| C03 | C02 | C01 | C21 | 179.8° | 179.7° |
| C03 | C02 | C01 | C06 | 0.5° | 0.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C02 | C03 | C04 | H6 | 179.9° | 179.9° |
| C01 | C02 | C03 | C04 | 0.0° | 0.0° |
| C02 | C01 | C21 | C06 | 179.7° | 179.7° |
| C02 | C01 | C06 | C05 | 0.9° | 0.0° |
| C02 | C01 | C06 | C07 | 179.5° | 180.0° |
| C01 | C02 | C03 | H5 | 180.0° | 180.0° |
| C02 | C01 | C21 | H16 | 89.9° | 89.7° |
| C02 | C01 | C21 | H17 | 150.2° | 30.3° |
| C02 | C01 | C21 | H18 | 30.1° | 150.3° |
| C03 | C04 | C05 | H6 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C03 | C04 | C05 | F22 | 179.9° | 180.0° |
| C04 | C03 | C02 | H4 | 179.9° | 180.0° |
| C21 | C01 | C06 | C05 | 179.4° | 179.7° |
| C21 | C01 | C06 | C07 | 0.8° | 0.3° |
| C21 | C01 | C02 | H4 | 0.3° | 0.3° |
| C01 | C21 | H16 | H17 | 120.0° | 120.0° |
| C01 | C21 | H16 | H18 | 120.0° | 120.0° |
| C01 | C21 | H17 | H18 | 120.0° | 119.9° |
| C01 | C06 | C05 | C04 | 0.8° | 0.0° |
| C01 | C06 | C05 | C07 | 178.6° | 180.0° |
| C01 | C06 | C05 | F22 | 179.4° | 180.0° |
| C01 | C06 | C07 | O08 | 77.5° | 90.0° |
| C01 | C06 | C07 | N09 | 103.2° | 90.0° |
| C06 | C01 | C02 | H4 | 179.4° | 180.0° |
| C06 | C01 | C21 | H16 | 89.8° | 90.0° |
| C06 | C01 | C21 | H17 | 30.1° | 150.0° |
| C06 | C01 | C21 | H18 | 150.2° | 30.1° |
| C04 | C05 | C06 | F22 | 179.8° | 180.0° |
| C04 | C05 | C06 | C07 | 179.4° | 180.0° |
| C05 | C04 | C03 | H5 | 179.9° | 180.0° |
| C05 | C06 | C07 | O08 | 101.1° | 90.0° |
| C05 | C06 | C07 | N09 | 78.2° | 89.9° |
| C06 | C05 | C04 | H6 | 179.8° | 179.9° |
| C07 | C06 | C05 | F22 | 0.8° | 0.0° |
| C06 | C07 | O08 | N09 | 179.2° | 180.0° |
| C06 | C07 | N09 | C10 | 0.6° | 2.8° |
| C06 | C07 | N09 | C11 | 178.0° | 177.3° |
| F22 | C05 | C04 | H6 | 0.1° | 0.1° |
| C16 | C17 | C18 | H13 | 180.0° | 179.9° |
| C17 | C16 | C15 | H12 | 180.0° | 179.9° |
| C16 | C17 | C18 | N24 | 179.7° | 180.0° |
| C16 | C17 | C18 | C19 | 0.2° | 0.1° |
| C17 | C16 | C15 | C11 | 179.3° | 180.0° |
| C17 | C16 | C15 | C20 | 0.8° | 0.3° |
| C18 | C17 | C16 | C15 | 0.7° | 0.0° |
| C17 | C18 | N24 | C19 | 179.9° | 179.9° |
| C17 | C18 | N24 | C25 | 166.1° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.2° |
| C18 | C17 | C16 | H12 | 179.4° | 179.9° |
| C17 | C18 | C19 | H14 | 179.9° | 180.0° |
| C17 | C18 | N24 | H19 | 45.7° | 0.1° |
| O08 | C07 | N09 | C10 | 178.6° | 177.3° |
| O08 | C07 | N09 | C11 | 1.3° | 2.7° |
| C07 | N09 | C10 | C11 | 177.4° | 180.0° |
| C07 | N09 | C10 | C12 | 130.2° | 126.4° |
| C07 | N09 | C11 | C15 | 105.3° | 6.6° |
| C07 | N09 | C11 | C14 | 124.6° | 126.4° |
| C07 | N09 | C10 | H1 | 109.7° | 6.6° |
| C07 | N09 | C10 | H2 | 10.1° | 113.8° |
| C07 | N09 | C11 | H3 | 10.8° | 113.8° |
| N09 | C10 | C12 | H1 | 120.1° | 119.8° |
| N09 | C10 | C12 | H2 | 120.1° | 119.8° |
| N09 | C10 | C12 | C13 | 45.7° | 54.6° |
| C10 | N09 | C11 | C15 | 77.3° | 173.4° |
| C10 | N09 | C11 | C14 | 52.8° | 53.6° |
| N09 | C10 | H1 | H2 | 119.7° | 120.3° |
| C10 | N09 | C11 | H3 | 166.6° | 66.2° |
| N09 | C10 | C12 | H7 | 166.2° | 65.4° |
| N09 | C10 | C12 | H8 | 74.7° | 174.6° |
| C12 | C10 | N09 | C11 | 47.1° | 53.6° |
| C10 | C12 | C13 | H7 | 120.5° | 119.9° |
| C10 | C12 | C13 | H8 | 120.5° | 120.0° |
| C10 | C12 | C13 | C14 | 55.9° | 61.4° |
| C12 | C10 | H1 | H2 | 119.7° | 120.4° |
| C10 | C12 | H7 | H8 | 118.6° | 120.0° |
| C10 | C12 | C13 | H9 | 64.3° | 178.6° |
| C10 | C12 | C13 | H10 | 176.0° | 58.7° |
| C16 | C15 | C11 | N09 | 48.8° | 108.4° |
| C16 | C15 | C11 | C20 | 178.4° | 179.6° |
| C16 | C15 | C11 | C14 | 173.0° | 10.9° |
| C16 | C15 | C20 | C19 | 0.5° | 0.6° |
| C16 | C15 | C11 | H3 | 68.5° | 131.3° |
| C15 | C16 | C17 | H13 | 179.3° | 179.9° |
| C16 | C15 | C20 | H15 | 179.5° | 179.7° |
| C18 | N24 | C25 | H19 | 120.3° | 179.9° |
| C18 | N24 | C25 | C26 | 164.5° | 87.9° |
| C18 | N24 | C25 | C29 | 79.1° | 155.0° |
| N24 | C18 | C19 | C20 | 180.0° | 179.7° |
| N24 | C18 | C17 | H13 | 0.3° | 0.1° |
| N24 | C18 | C19 | H14 | 0.0° | 0.1° |
| C18 | N24 | C25 | H20 | 43.5° | 33.6° |
| C25 | N24 | C18 | C19 | 13.8° | 0.1° |
| N24 | C25 | C26 | C29 | 119.4° | 119.3° |
| N24 | C25 | C26 | H20 | 121.8° | 121.4° |
| N24 | C25 | C26 | C27 | 124.2° | 142.9° |
| N24 | C25 | C29 | H20 | 123.5° | 121.4° |
| N24 | C25 | C29 | C28 | 133.1° | 119.3° |
| N24 | C25 | C26 | H21 | 4.4° | 24.2° |
| N24 | C25 | C26 | H22 | 115.8° | 98.4° |
| N24 | C25 | C29 | H27 | 107.2° | 121.4° |
| N24 | C25 | C29 | H28 | 13.4° | 0.0° |
| N09 | C11 | C15 | C14 | 124.3° | 119.3° |
| N09 | C11 | C15 | H3 | 117.2° | 120.3° |
| N09 | C11 | C15 | C20 | 132.8° | 72.0° |
| N09 | C11 | C14 | H3 | 114.0° | 119.8° |
| N09 | C11 | C14 | C13 | 58.7° | 54.7° |
| N09 | C11 | C14 | C23 | 172.1° | 65.3° |
| C11 | N09 | C10 | H1 | 73.0° | 173.4° |
| C11 | N09 | C10 | H2 | 167.3° | 66.2° |
| N09 | C11 | C14 | H11 | 57.0° | 174.6° |
| C18 | C19 | C20 | C15 | 0.1° | 0.5° |
| C18 | C19 | C20 | H14 | 180.0° | 179.8° |
| C19 | C18 | C17 | H13 | 179.8° | 180.0° |
| C18 | C19 | C20 | H15 | 179.9° | 179.8° |
| C19 | C18 | N24 | H19 | 134.2° | 180.0° |
| C25 | C26 | C27 | H21 | 119.9° | 118.7° |
| C25 | C26 | C27 | H22 | 119.9° | 118.7° |
| C26 | C25 | C29 | H20 | 118.8° | 119.3° |
| C25 | C26 | C27 | C28 | 7.5° | 37.9° |
| C26 | C25 | C29 | C28 | 15.4° | 0.0° |
| C26 | C25 | N24 | H19 | 75.2° | 92.2° |
| C25 | C26 | H21 | H22 | 120.4° | 122.6° |
| C25 | C26 | C27 | H23 | 112.1° | 156.3° |
| C25 | C26 | C27 | H24 | 127.0° | 80.4° |
| C26 | C25 | C29 | H27 | 135.1° | 119.3° |
| C26 | C25 | C29 | H28 | 104.4° | 119.3° |
| C27 | C26 | C25 | C29 | 4.9° | 23.6° |
| C26 | C27 | C28 | H23 | 119.6° | 118.3° |
| C26 | C27 | C28 | H24 | 119.6° | 118.3° |
| C26 | C27 | C28 | C29 | 16.9° | 37.9° |
| C27 | C26 | C25 | H20 | 114.0° | 95.7° |
| C27 | C26 | H21 | H22 | 120.3° | 122.6° |
| C26 | C27 | H23 | H24 | 121.2° | 123.3° |
| C26 | C27 | C28 | H25 | 136.5° | 80.8° |
| C26 | C27 | C28 | H26 | 102.7° | 156.8° |
| C12 | C13 | C14 | C11 | 63.5° | 61.4° |
| C12 | C13 | C14 | H9 | 120.1° | 120.0° |
| C12 | C13 | C14 | H10 | 120.1° | 120.0° |
| C12 | C13 | C14 | C23 | 167.2° | 58.6° |
| C13 | C12 | C10 | H1 | 74.4° | 174.4° |
| C13 | C12 | C10 | H2 | 165.8° | 65.2° |
| C13 | C12 | H7 | H8 | 118.6° | 120.1° |
| C12 | C13 | H9 | H10 | 119.7° | 120.0° |
| C12 | C13 | C14 | H11 | 52.0° | 178.7° |
| C25 | C29 | C28 | C27 | 20.2° | 23.6° |
| C25 | C29 | C28 | H27 | 119.7° | 119.3° |
| C25 | C29 | C28 | H28 | 119.7° | 119.2° |
| C29 | C25 | N24 | H19 | 41.2° | 24.9° |
| C29 | C25 | C26 | H21 | 115.0° | 95.1° |
| C29 | C25 | C26 | H22 | 124.8° | 142.3° |
| C25 | C29 | C28 | H25 | 139.7° | 95.1° |
| C25 | C29 | C28 | H26 | 99.4° | 142.4° |
| C25 | C29 | H27 | H28 | 120.8° | 121.4° |
| C15 | C11 | C14 | H3 | 117.6° | 120.3° |
| C11 | C15 | C20 | C19 | 179.0° | 179.8° |
| C15 | C11 | C14 | C13 | 69.6° | 174.6° |
| C15 | C11 | C14 | C23 | 59.6° | 54.6° |
| C15 | C11 | C14 | H11 | 174.7° | 65.6° |
| C11 | C15 | C16 | H12 | 0.7° | 0.1° |
| C11 | C15 | C20 | H15 | 1.0° | 0.1° |
| C20 | C15 | C11 | C14 | 8.5° | 168.7° |
| C15 | C20 | C19 | H15 | 180.0° | 179.7° |
| C20 | C15 | C11 | H3 | 110.0° | 48.3° |
| C20 | C15 | C16 | H12 | 179.2° | 179.7° |
| C15 | C20 | C19 | H14 | 179.9° | 179.6° |
| C27 | C28 | C29 | H25 | 119.6° | 118.7° |
| C27 | C28 | C29 | H26 | 119.6° | 118.8° |
| C28 | C27 | C26 | H21 | 127.3° | 80.8° |
| C28 | C27 | C26 | H22 | 112.4° | 156.6° |
| C28 | C27 | H23 | H24 | 121.2° | 123.3° |
| C27 | C28 | H25 | H26 | 121.2° | 122.6° |
| C27 | C28 | C29 | H27 | 139.9° | 95.7° |
| C27 | C28 | C29 | H28 | 99.6° | 142.8° |
| C11 | C14 | C13 | C23 | 129.3° | 120.0° |
| C11 | C14 | C13 | H11 | 115.5° | 119.9° |
| C11 | C14 | C23 | H11 | 115.9° | 120.1° |
| C11 | C14 | C23 | N31 | 32.3° | 151.9° |
| C11 | C14 | C23 | O30 | 147.0° | 28.2° |
| C11 | C14 | C13 | H9 | 56.7° | 178.6° |
| C11 | C14 | C13 | H10 | 176.4° | 58.6° |
| C13 | C14 | C23 | H11 | 116.2° | 120.0° |
| C13 | C14 | C23 | N31 | 160.2° | 88.3° |
| C13 | C14 | C23 | O30 | 19.1° | 91.7° |
| C13 | C14 | C11 | H3 | 172.7° | 65.1° |
| C14 | C13 | C12 | H7 | 176.3° | 58.6° |
| C14 | C13 | C12 | H8 | 64.6° | 178.7° |
| C14 | C13 | H9 | H10 | 119.6° | 120.0° |
| C28 | C29 | C25 | H20 | 103.5° | 119.3° |
| C29 | C28 | C27 | H23 | 102.7° | 156.3° |
| C29 | C28 | C27 | H24 | 136.5° | 80.4° |
| C29 | C28 | H25 | H26 | 121.3° | 122.6° |
| C28 | C29 | H27 | H28 | 120.8° | 121.5° |
| C14 | C23 | N31 | O30 | 179.3° | 180.0° |
| C14 | C23 | N31 | C32 | 179.8° | 175.7° |
| C23 | C14 | C11 | H3 | 58.1° | 174.9° |
| C23 | C14 | C13 | H9 | 72.6° | 61.4° |
| C23 | C14 | C13 | H10 | 47.1° | 178.6° |
| C14 | C23 | N31 | H29 | 0.2° | 4.2° |
| C23 | N31 | C32 | H29 | 180.0° | 180.0° |
| C23 | N31 | C32 | C37 | 160.7° | 33.1° |
| C23 | N31 | C32 | C33 | 20.4° | 147.2° |
| N31 | C23 | C14 | H11 | 83.6° | 31.8° |
| O30 | C23 | N31 | C32 | 0.5° | 4.3° |
| O30 | C23 | C14 | H11 | 97.1° | 148.2° |
| O30 | C23 | N31 | H29 | 179.5° | 175.7° |
| N31 | C32 | C37 | C33 | 178.9° | 179.7° |
| N31 | C32 | C37 | C36 | 179.5° | 179.7° |
| N31 | C32 | C33 | C34 | 179.6° | 180.0° |
| N31 | C32 | C33 | H30 | 0.4° | 0.0° |
| N31 | C32 | C37 | H32 | 0.5° | 0.0° |
| C32 | C37 | C36 | H32 | 180.0° | 179.7° |
| C37 | C32 | C33 | C34 | 0.8° | 0.3° |
| C32 | C37 | C36 | C35 | 0.3° | 0.7° |
| C37 | C32 | N31 | H29 | 19.3° | 146.9° |
| C37 | C32 | C33 | H30 | 179.2° | 179.8° |
| C32 | C37 | C36 | H31 | 179.6° | 179.7° |
| C33 | C32 | C37 | C36 | 0.6° | 0.6° |
| C32 | C33 | C34 | H30 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.7° | 0.0° |
| C32 | C33 | C34 | C39 | 179.7° | 180.0° |
| C33 | C32 | N31 | H29 | 159.6° | 32.8° |
| C33 | C32 | C37 | H32 | 179.4° | 179.7° |
| C37 | C36 | C35 | H31 | 180.0° | 179.6° |
| C37 | C36 | C35 | C34 | 0.2° | 0.4° |
| C37 | C36 | C35 | C38 | 179.9° | 179.7° |
| C33 | C34 | C35 | C36 | 0.4° | 0.0° |
| C33 | C34 | C35 | C39 | 179.7° | 179.9° |
| C33 | C34 | C39 | F42 | 1.3° | 120.0° |
| C33 | C34 | C35 | C38 | 180.0° | 179.9° |
| C33 | C34 | C39 | F41 | 121.7° | 0.0° |
| C33 | C34 | C39 | F40 | 118.3° | 120.0° |
| C36 | C35 | C34 | C38 | 179.7° | 179.9° |
| C36 | C35 | C34 | C39 | 180.0° | 179.9° |
| C35 | C36 | C37 | H32 | 179.7° | 179.6° |
| C36 | C35 | C38 | H33 | 90.1° | 90.1° |
| C36 | C35 | C38 | H34 | 149.8° | 29.9° |
| C36 | C35 | C38 | H35 | 29.9° | 149.9° |
| C35 | C34 | C39 | F42 | 178.3° | 60.1° |
| C35 | C34 | C39 | F41 | 58.0° | 179.9° |
| C35 | C34 | C39 | F40 | 62.0° | 60.0° |
| C35 | C34 | C33 | H30 | 179.4° | 179.9° |
| C34 | C35 | C36 | H31 | 179.8° | 180.0° |
| C34 | C35 | C38 | H33 | 90.2° | 90.0° |
| C34 | C35 | C38 | H34 | 29.8° | 150.0° |
| C34 | C35 | C38 | H35 | 149.8° | 30.0° |
| C34 | C39 | F42 | F41 | 121.3° | 120.0° |
| C34 | C39 | F42 | F40 | 120.4° | 120.0° |
| C39 | C34 | C35 | C38 | 0.3° | 0.0° |
| C34 | C39 | F41 | F40 | 121.0° | 120.0° |
| C39 | C34 | C33 | H30 | 0.3° | 0.0° |
| F42 | C39 | F41 | F40 | 118.7° | 120.1° |
| C38 | C35 | C36 | H31 | 0.1° | 0.1° |
| C35 | C38 | H33 | H34 | 120.0° | 120.0° |
| C35 | C38 | H33 | H35 | 120.0° | 120.0° |
| C35 | C38 | H34 | H35 | 120.0° | 120.0° |
| H1 | C10 | C12 | H7 | 46.1° | 54.5° |
| H1 | C10 | C12 | H8 | 165.2° | 65.6° |
| H2 | C10 | C12 | H7 | 73.7° | 174.9° |
| H2 | C10 | C12 | H8 | 45.4° | 54.8° |
| H3 | C11 | C14 | H11 | 57.0° | 54.8° |
| H4 | C02 | C03 | H5 | 0.0° | 0.0° |
| H5 | C03 | C04 | H6 | 0.1° | 0.0° |
| H7 | C12 | C13 | H9 | 56.2° | 61.4° |
| H7 | C12 | C13 | H10 | 63.6° | 178.6° |
| H8 | C12 | C13 | H9 | 175.3° | 58.7° |
| H8 | C12 | C13 | H10 | 55.5° | 61.3° |
| H9 | C13 | C14 | H11 | 172.2° | 58.7° |
| H10 | C13 | C14 | H11 | 68.1° | 61.3° |
| H12 | C16 | C17 | H13 | 0.6° | 0.0° |
| H14 | C19 | C20 | H15 | 0.1° | 0.1° |
| H16 | C21 | H17 | H18 | 120.0° | 120.1° |
| H19 | N24 | C25 | H20 | 163.9° | 146.4° |
| H20 | C25 | C26 | H21 | 126.2° | 145.6° |
| H20 | C25 | C26 | H22 | 5.9° | 23.0° |
| H20 | C25 | C29 | H27 | 16.2° | 0.0° |
| H20 | C25 | C29 | H28 | 136.8° | 121.4° |
| H21 | C26 | C27 | H23 | 7.8° | 37.6° |
| H21 | C26 | C27 | H24 | 113.1° | 161.0° |
| H22 | C26 | C27 | H23 | 128.0° | 85.0° |
| H22 | C26 | C27 | H24 | 7.1° | 38.4° |
| H23 | C27 | C28 | H25 | 16.9° | 37.6° |
| H23 | C27 | C28 | H26 | 137.7° | 84.9° |
| H24 | C27 | C28 | H25 | 104.0° | 161.0° |
| H24 | C27 | C28 | H26 | 16.9° | 38.5° |
| H25 | C28 | C29 | H27 | 100.6° | 145.6° |
| H25 | C28 | C29 | H28 | 20.0° | 24.1° |
| H26 | C28 | C29 | H27 | 20.3° | 23.1° |
| H26 | C28 | C29 | H28 | 140.9° | 98.4° |
| H31 | C36 | C37 | H32 | 0.3° | 0.0° |
| H33 | C38 | H34 | H35 | 120.0° | 120.0° |
