E3V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C33 | doub | 1.32Å | 1.51Å | |
| C32 | C31 | sing | 1.47Å | 1.48Å | |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| O2 | C1 | sing | 1.43Å | 1.42Å | |
| O2 | C3 | sing | 1.36Å | 1.38Å | |
| C33 | C34 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | N13 | doub | 1.32Å | 1.34Å | Aromatic |
| C31 | C30 | doub | 1.40Å | 1.39Å | Aromatic |
| C31 | C37 | sing | 1.40Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.39Å | 1.38Å | Aromatic |
| C34 | C36 | sing | 1.53Å | 1.51Å | |
| C34 | C37 | sing | 1.51Å | 1.50Å | |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| N13 | C12 | sing | 1.33Å | 1.33Å | Aromatic |
| C6 | C12 | doub | 1.37Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.49Å | |
| C37 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | N28 | sing | 1.40Å | 1.43Å | |
| C29 | C40 | doub | 1.39Å | 1.38Å | Aromatic |
| N28 | C26 | sing | 1.35Å | 1.39Å | |
| C12 | C11 | sing | 1.51Å | 1.49Å | |
| C7 | C26 | sing | 1.51Å | 1.51Å | |
| C7 | N9 | sing | 1.47Å | 1.47Å | |
| C26 | O27 | doub | 1.21Å | 1.22Å | |
| C38 | C40 | sing | 1.39Å | 1.38Å | Aromatic |
| C38 | F39 | sing | 1.35Å | 1.34Å | |
| N9 | C10 | sing | 1.47Å | 1.46Å | |
| N9 | C14 | sing | 1.35Å | 1.39Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| O15 | C14 | doub | 1.21Å | 1.22Å | |
| C14 | C16 | sing | 1.51Å | 1.54Å | |
| O23 | C22 | doub | 1.21Å | 1.36Å | |
| C18 | C16 | sing | 1.54Å | 1.53Å | |
| C18 | C19 | sing | 1.54Å | 1.52Å | |
| C16 | C25 | sing | 1.54Å | 1.53Å | |
| C22 | O24 | sing | 1.34Å | 1.22Å | |
| C22 | C21 | sing | 1.51Å | 1.50Å | |
| C25 | C19 | sing | 1.54Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C30 | H8 | sing | 1.08Å | 1.08Å | |
| C40 | H9 | sing | 1.08Å | 1.08Å | |
| C32 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C33 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C35 | H20 | sing | 1.09Å | 1.10Å | |
| C35 | H21 | sing | 1.09Å | 1.10Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C1 | H27 | sing | 1.09Å | 1.10Å | |
| C1 | H28 | sing | 1.09Å | 1.10Å | |
| N28 | H29 | sing | 0.97Å | 1.00Å | |
| O24 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C32 | C31 | 103.4° | 111.1° |
| C32 | C33 | C34 | 110.0° | 108.3° |
| C33 | C32 | H10 | 128.3° | 124.4° |
| C32 | C33 | H13 | 125.0° | 125.9° |
| C32 | C31 | C30 | 126.7° | 131.9° |
| C32 | C31 | C37 | 111.4° | 108.9° |
| C31 | C32 | H10 | 128.3° | 124.5° |
| C5 | C4 | C3 | 117.3° | 118.8° |
| C4 | C5 | C6 | 120.0° | 118.9° |
| C5 | C4 | H1 | 121.3° | 120.6° |
| C4 | C5 | H2 | 120.0° | 120.6° |
| C4 | C3 | O2 | 117.6° | 119.7° |
| C4 | C3 | N13 | 124.7° | 120.5° |
| C3 | C4 | H1 | 121.4° | 120.6° |
| C1 | O2 | C3 | 107.5° | 117.0° |
| O2 | C1 | H26 | 109.5° | 109.5° |
| O2 | C1 | H27 | 109.5° | 109.4° |
| O2 | C1 | H28 | 109.5° | 109.5° |
| O2 | C3 | N13 | 117.8° | 119.8° |
| C33 | C34 | C36 | 110.3° | 110.3° |
| C33 | C34 | C37 | 102.5° | 105.4° |
| C33 | C34 | C35 | 110.7° | 110.2° |
| C34 | C33 | H13 | 125.0° | 125.8° |
| C5 | C6 | C12 | 117.9° | 119.5° |
| C5 | C6 | C7 | 121.2° | 118.0° |
| C6 | C5 | H2 | 120.0° | 120.5° |
| C3 | N13 | C12 | 116.3° | 122.4° |
| C30 | C31 | C37 | 121.9° | 119.3° |
| C31 | C30 | C29 | 119.6° | 119.9° |
| C31 | C30 | H8 | 120.2° | 120.0° |
| C31 | C37 | C34 | 111.6° | 106.3° |
| C31 | C37 | C38 | 118.1° | 120.5° |
| C30 | C29 | N28 | 120.2° | 119.9° |
| C30 | C29 | C40 | 118.5° | 120.3° |
| C29 | C30 | H8 | 120.2° | 120.1° |
| C36 | C34 | C37 | 110.6° | 110.3° |
| C36 | C34 | C35 | 108.2° | 110.2° |
| C34 | C36 | H23 | 109.5° | 109.5° |
| C34 | C36 | H24 | 109.5° | 109.5° |
| C34 | C36 | H25 | 109.5° | 109.4° |
| C37 | C34 | C35 | 114.5° | 110.3° |
| C34 | C37 | C38 | 130.3° | 133.1° |
| C34 | C35 | H20 | 109.5° | 109.5° |
| C34 | C35 | H21 | 109.4° | 109.5° |
| C34 | C35 | H22 | 109.5° | 109.5° |
| N13 | C12 | C6 | 123.8° | 120.0° |
| N13 | C12 | C11 | 115.9° | 117.3° |
| C12 | C6 | C7 | 120.9° | 122.6° |
| C6 | C12 | C11 | 120.3° | 122.7° |
| C6 | C7 | C26 | 106.0° | 109.4° |
| C6 | C7 | N9 | 114.6° | 109.7° |
| C6 | C7 | H3 | 110.2° | 109.4° |
| C37 | C38 | C40 | 120.2° | 120.0° |
| C37 | C38 | F39 | 121.3° | 120.0° |
| N28 | C29 | C40 | 121.3° | 119.9° |
| C29 | N28 | C26 | 122.8° | 120.0° |
| C29 | N28 | H29 | 118.6° | 120.0° |
| C29 | C40 | C38 | 121.7° | 120.0° |
| C29 | C40 | H9 | 119.1° | 120.0° |
| N28 | C26 | C7 | 114.3° | 120.0° |
| N28 | C26 | O27 | 125.3° | 120.0° |
| C26 | N28 | H29 | 118.6° | 120.0° |
| C12 | C11 | C10 | 108.9° | 110.8° |
| C12 | C11 | H11 | 109.6° | 109.2° |
| C12 | C11 | H12 | 109.6° | 109.2° |
| C26 | C7 | N9 | 105.4° | 109.4° |
| C7 | C26 | O27 | 120.3° | 120.0° |
| C26 | C7 | H3 | 110.0° | 109.4° |
| C7 | N9 | C10 | 119.1° | 117.3° |
| C7 | N9 | C14 | 119.6° | 121.3° |
| N9 | C7 | H3 | 110.5° | 109.4° |
| C40 | C38 | F39 | 118.5° | 120.0° |
| C38 | C40 | H9 | 119.1° | 120.0° |
| C10 | N9 | C14 | 120.1° | 121.4° |
| N9 | C10 | C11 | 114.1° | 107.9° |
| N9 | C10 | H4 | 108.3° | 109.8° |
| N9 | C10 | H5 | 108.3° | 109.8° |
| N9 | C14 | O15 | 123.0° | 120.0° |
| N9 | C14 | C16 | 114.0° | 120.0° |
| C11 | C10 | H4 | 108.3° | 109.7° |
| C11 | C10 | H5 | 108.3° | 109.8° |
| C10 | C11 | H11 | 109.6° | 109.2° |
| C10 | C11 | H12 | 109.6° | 109.2° |
| O15 | C14 | C16 | 123.1° | 120.0° |
| C14 | C16 | C18 | 118.5° | 113.6° |
| C14 | C16 | C25 | 121.4° | 113.6° |
| C14 | C16 | H18 | 109.6° | 112.8° |
| O23 | C22 | O24 | 125.2° | 120.0° |
| O23 | C22 | C21 | 110.5° | 120.0° |
| C16 | C18 | C19 | 85.5° | 87.1° |
| C18 | C16 | C25 | 85.9° | 87.1° |
| C16 | C18 | H14 | 115.1° | 113.7° |
| C16 | C18 | H15 | 115.1° | 113.6° |
| C18 | C16 | H18 | 109.7° | 113.7° |
| C18 | C19 | C25 | 85.8° | 87.1° |
| C18 | C19 | C21 | 116.0° | 113.7° |
| C19 | C18 | H14 | 115.1° | 113.6° |
| C19 | C18 | H15 | 115.1° | 113.6° |
| C18 | C19 | H19 | 111.2° | 113.6° |
| C16 | C25 | C19 | 85.1° | 87.1° |
| C16 | C25 | H16 | 115.1° | 113.6° |
| C16 | C25 | H17 | 115.1° | 113.7° |
| C25 | C16 | H18 | 109.7° | 113.7° |
| O24 | C22 | C21 | 124.3° | 120.0° |
| C22 | O24 | H30 | 109.5° | 117.0° |
| C22 | C21 | C19 | 117.2° | 109.5° |
| C22 | C21 | H6 | 107.5° | 109.4° |
| C22 | C21 | H7 | 107.5° | 109.5° |
| C25 | C19 | C21 | 119.2° | 113.6° |
| C19 | C25 | H16 | 115.2° | 113.6° |
| C19 | C25 | H17 | 115.1° | 113.6° |
| C25 | C19 | H19 | 111.0° | 113.5° |
| C19 | C21 | H6 | 107.5° | 109.4° |
| C19 | C21 | H7 | 107.5° | 109.5° |
| C21 | C19 | H19 | 111.3° | 112.9° |
| H4 | C10 | H5 | 109.5° | 109.8° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.2° |
| H14 | C18 | H15 | 109.5° | 112.9° |
| H16 | C25 | H17 | 109.5° | 112.9° |
| H20 | C35 | H21 | 109.4° | 109.4° |
| H20 | C35 | H22 | 109.5° | 109.5° |
| H21 | C35 | H22 | 109.5° | 109.5° |
| H23 | C36 | H24 | 109.5° | 109.5° |
| H23 | C36 | H25 | 109.4° | 109.4° |
| H24 | C36 | H25 | 109.5° | 109.5° |
| H26 | C1 | H27 | 109.5° | 109.4° |
| H26 | C1 | H28 | 109.4° | 109.5° |
| H27 | C1 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C32 | C31 | H10 | 180.0° | 180.0° |
| C32 | C33 | C34 | H13 | 180.0° | 179.9° |
| C33 | C32 | C31 | C30 | 174.3° | 180.0° |
| C33 | C32 | C31 | C37 | 5.9° | 0.0° |
| C32 | C33 | C34 | C36 | 107.5° | 119.0° |
| C32 | C33 | C34 | C37 | 10.2° | 0.0° |
| C32 | C33 | C34 | C35 | 132.7° | 119.1° |
| C31 | C32 | C33 | C34 | 10.1° | 0.0° |
| C32 | C31 | C30 | C37 | 179.8° | 180.0° |
| C32 | C31 | C30 | C29 | 179.7° | 180.0° |
| C32 | C31 | C37 | C34 | 0.4° | 0.0° |
| C32 | C31 | C37 | C38 | 180.0° | 180.0° |
| C32 | C31 | C30 | H8 | 0.3° | 0.3° |
| C31 | C32 | C33 | H13 | 170.0° | 179.9° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C5 | C4 | C3 | O2 | 179.8° | 179.8° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | N13 | 0.8° | 0.3° |
| C4 | C5 | C6 | C12 | 0.0° | 0.4° |
| C4 | C5 | C6 | C7 | 179.3° | 178.9° |
| C4 | C3 | O2 | C1 | 112.2° | 180.0° |
| C4 | C3 | O2 | N13 | 179.1° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.1° |
| C4 | C3 | N13 | C12 | 0.8° | 0.0° |
| C3 | C4 | C5 | H2 | 179.7° | 180.0° |
| C1 | O2 | C3 | N13 | 68.7° | 0.0° |
| O2 | C1 | H26 | H27 | 120.0° | 119.9° |
| O2 | C1 | H26 | H28 | 120.0° | 120.1° |
| O2 | C1 | H27 | H28 | 120.0° | 120.0° |
| O2 | C3 | N13 | C12 | 179.8° | 179.9° |
| O2 | C3 | C4 | H1 | 0.2° | 0.4° |
| C3 | O2 | C1 | H26 | 180.0° | 179.9° |
| C3 | O2 | C1 | H27 | 60.0° | 60.0° |
| C3 | O2 | C1 | H28 | 60.0° | 60.0° |
| C33 | C34 | C37 | C31 | 6.5° | 0.0° |
| C33 | C34 | C36 | C37 | 112.6° | 116.0° |
| C33 | C34 | C36 | C35 | 121.3° | 121.9° |
| C33 | C34 | C37 | C35 | 119.9° | 119.0° |
| C33 | C34 | C37 | C38 | 174.0° | 180.0° |
| C34 | C33 | C32 | H10 | 169.9° | 179.9° |
| C33 | C34 | C35 | H20 | 180.0° | 58.5° |
| C33 | C34 | C35 | H21 | 60.0° | 178.5° |
| C33 | C34 | C35 | H22 | 60.0° | 61.5° |
| C33 | C34 | C36 | H23 | 180.0° | 61.4° |
| C33 | C34 | C36 | H24 | 60.0° | 178.6° |
| C33 | C34 | C36 | H25 | 60.0° | 58.5° |
| C5 | C6 | C12 | N13 | 0.1° | 0.7° |
| C5 | C6 | C12 | C7 | 179.3° | 179.3° |
| C5 | C6 | C12 | C11 | 179.7° | 179.1° |
| C5 | C6 | C7 | C26 | 86.3° | 70.7° |
| C5 | C6 | C7 | N9 | 158.0° | 169.2° |
| C6 | C5 | C4 | H1 | 179.6° | 179.7° |
| C5 | C6 | C7 | H3 | 32.7° | 49.2° |
| C3 | N13 | C12 | C6 | 0.3° | 0.5° |
| C3 | N13 | C12 | C11 | 179.9° | 179.3° |
| N13 | C3 | C4 | H1 | 179.2° | 179.5° |
| C31 | C30 | C29 | H8 | 180.0° | 179.7° |
| C30 | C31 | C37 | C34 | 179.4° | 180.0° |
| C30 | C31 | C37 | C38 | 0.1° | 0.0° |
| C31 | C30 | C29 | N28 | 179.9° | 179.7° |
| C31 | C30 | C29 | C40 | 0.4° | 0.2° |
| C30 | C31 | C32 | H10 | 5.7° | 0.0° |
| C37 | C31 | C30 | C29 | 0.1° | 0.0° |
| C31 | C37 | C34 | C36 | 111.0° | 119.0° |
| C31 | C37 | C34 | C38 | 179.4° | 180.0° |
| C31 | C37 | C34 | C35 | 126.5° | 119.0° |
| C31 | C37 | C38 | C40 | 0.0° | 0.3° |
| C31 | C37 | C38 | F39 | 179.8° | 180.0° |
| C37 | C31 | C30 | H8 | 179.9° | 179.7° |
| C37 | C31 | C32 | H10 | 174.1° | 180.0° |
| C30 | C29 | N28 | C40 | 179.7° | 179.9° |
| C30 | C29 | N28 | C26 | 153.3° | 146.5° |
| C30 | C29 | C40 | C38 | 0.5° | 0.5° |
| C30 | C29 | C40 | H9 | 179.5° | 180.0° |
| C30 | C29 | N28 | H29 | 26.7° | 33.4° |
| C36 | C34 | C37 | C35 | 122.5° | 122.0° |
| C36 | C34 | C37 | C38 | 68.4° | 61.0° |
| C36 | C34 | C33 | H13 | 72.4° | 60.9° |
| C36 | C34 | C35 | H20 | 59.0° | 179.5° |
| C36 | C34 | C35 | H21 | 61.0° | 59.5° |
| C36 | C34 | C35 | H22 | 179.0° | 60.5° |
| C34 | C36 | H23 | H24 | 120.0° | 120.0° |
| C34 | C36 | H23 | H25 | 120.0° | 120.0° |
| C34 | C36 | H24 | H25 | 120.0° | 120.0° |
| C34 | C37 | C38 | C40 | 179.4° | 179.7° |
| C34 | C37 | C38 | F39 | 0.4° | 0.0° |
| C37 | C34 | C33 | H13 | 169.8° | 179.9° |
| C37 | C34 | C35 | H20 | 64.8° | 57.5° |
| C37 | C34 | C35 | H21 | 175.2° | 62.5° |
| C37 | C34 | C35 | H22 | 55.2° | 177.5° |
| C37 | C34 | C36 | H23 | 67.4° | 177.5° |
| C37 | C34 | C36 | H24 | 52.6° | 62.5° |
| C37 | C34 | C36 | H25 | 172.6° | 57.5° |
| C35 | C34 | C37 | C38 | 54.1° | 61.0° |
| C35 | C34 | C33 | H13 | 47.3° | 61.0° |
| C34 | C35 | H20 | H21 | 120.0° | 120.0° |
| C34 | C35 | H20 | H22 | 120.0° | 120.0° |
| C34 | C35 | H21 | H22 | 120.0° | 120.0° |
| C35 | C34 | C36 | H23 | 58.7° | 60.5° |
| C35 | C34 | C36 | H24 | 178.7° | 59.5° |
| C35 | C34 | C36 | H25 | 61.3° | 179.5° |
| N13 | C12 | C6 | C11 | 179.7° | 179.8° |
| N13 | C12 | C6 | C7 | 179.3° | 178.6° |
| N13 | C12 | C11 | C10 | 143.6° | 159.8° |
| N13 | C12 | C11 | H11 | 23.7° | 39.5° |
| N13 | C12 | C11 | H12 | 96.5° | 79.8° |
| C12 | C6 | C7 | C26 | 93.1° | 108.6° |
| C12 | C6 | C7 | N9 | 22.7° | 11.5° |
| C6 | C12 | C11 | C10 | 36.2° | 20.4° |
| C12 | C6 | C5 | H2 | 179.9° | 179.6° |
| C12 | C6 | C7 | H3 | 148.0° | 131.5° |
| C6 | C12 | C11 | H11 | 156.1° | 140.8° |
| C6 | C12 | C11 | H12 | 83.7° | 100.0° |
| C6 | C7 | C26 | N28 | 88.5° | 60.0° |
| C7 | C6 | C12 | C11 | 1.0° | 1.6° |
| C6 | C7 | C26 | N9 | 121.8° | 120.2° |
| C6 | C7 | C26 | H3 | 119.0° | 119.9° |
| C6 | C7 | N9 | H3 | 125.2° | 120.0° |
| C6 | C7 | C26 | O27 | 89.9° | 120.0° |
| C6 | C7 | N9 | C10 | 4.1° | 44.2° |
| C6 | C7 | N9 | C14 | 163.6° | 135.8° |
| C7 | C6 | C5 | H2 | 0.7° | 1.1° |
| C37 | C38 | C40 | C29 | 0.4° | 0.5° |
| C37 | C38 | C40 | F39 | 179.8° | 179.7° |
| C37 | C38 | C40 | H9 | 179.7° | 180.0° |
| C29 | N28 | C26 | H29 | 180.0° | 179.9° |
| C29 | N28 | C26 | C7 | 152.2° | 174.8° |
| C29 | N28 | C26 | O27 | 26.2° | 5.1° |
| N28 | C29 | C40 | C38 | 179.7° | 179.4° |
| N28 | C29 | C30 | H8 | 0.2° | 0.0° |
| N28 | C29 | C40 | H9 | 0.3° | 0.1° |
| C40 | C29 | N28 | C26 | 27.0° | 33.6° |
| C29 | C40 | C38 | H9 | 180.0° | 179.5° |
| C29 | C40 | C38 | F39 | 179.4° | 179.7° |
| C40 | C29 | C30 | H8 | 179.6° | 179.9° |
| C40 | C29 | N28 | H29 | 153.0° | 146.5° |
| N28 | C26 | C7 | O27 | 178.4° | 179.9° |
| N28 | C26 | C7 | N9 | 149.7° | 179.8° |
| N28 | C26 | C7 | H3 | 30.5° | 59.9° |
| C12 | C11 | C10 | N9 | 52.8° | 47.7° |
| C12 | C11 | C10 | H11 | 119.9° | 120.3° |
| C12 | C11 | C10 | H12 | 119.9° | 120.4° |
| C12 | C11 | C10 | H4 | 173.5° | 167.3° |
| C12 | C11 | C10 | H5 | 67.9° | 72.0° |
| C12 | C11 | H11 | H12 | 120.3° | 119.3° |
| C26 | C7 | N9 | H3 | 118.8° | 119.9° |
| C26 | C7 | N9 | C10 | 112.0° | 75.9° |
| C26 | C7 | N9 | C14 | 80.3° | 104.1° |
| C7 | C26 | N28 | H29 | 27.8° | 5.3° |
| N9 | C7 | C26 | O27 | 31.9° | 0.2° |
| C7 | N9 | C10 | C14 | 167.7° | 180.0° |
| C7 | N9 | C10 | C11 | 34.0° | 64.2° |
| C7 | N9 | C14 | O15 | 11.7° | 0.0° |
| C7 | N9 | C14 | C16 | 168.2° | 180.0° |
| C7 | N9 | C10 | H4 | 154.7° | 176.3° |
| C7 | N9 | C10 | H5 | 86.7° | 55.5° |
| O27 | C26 | C7 | H3 | 151.1° | 120.0° |
| O27 | C26 | N28 | H29 | 153.9° | 174.8° |
| F39 | C38 | C40 | H9 | 0.5° | 0.2° |
| N9 | C10 | C11 | H4 | 120.7° | 119.6° |
| N9 | C10 | C11 | H5 | 120.7° | 119.6° |
| C10 | N9 | C14 | O15 | 179.3° | 180.0° |
| C10 | N9 | C14 | C16 | 0.6° | 0.0° |
| C10 | N9 | C7 | H3 | 129.3° | 164.2° |
| N9 | C10 | H4 | H5 | 117.9° | 120.8° |
| N9 | C10 | C11 | H11 | 172.7° | 168.0° |
| N9 | C10 | C11 | H12 | 67.1° | 72.7° |
| C14 | N9 | C10 | C11 | 158.4° | 115.8° |
| N9 | C14 | O15 | C16 | 179.9° | 180.0° |
| N9 | C14 | C16 | C18 | 90.8° | 180.0° |
| N9 | C14 | C16 | C25 | 165.6° | 82.4° |
| C14 | N9 | C7 | H3 | 38.5° | 15.8° |
| C14 | N9 | C10 | H4 | 37.7° | 3.7° |
| C14 | N9 | C10 | H5 | 81.0° | 124.5° |
| N9 | C14 | C16 | H18 | 36.1° | 48.8° |
| C11 | C10 | H4 | H5 | 117.9° | 120.8° |
| C10 | C11 | H11 | H12 | 120.3° | 119.4° |
| O15 | C14 | C16 | C18 | 89.1° | 0.0° |
| O15 | C14 | C16 | C25 | 14.5° | 97.5° |
| O15 | C14 | C16 | H18 | 144.0° | 131.3° |
| C14 | C16 | C18 | C25 | 123.7° | 114.6° |
| C14 | C16 | C18 | H18 | 126.8° | 130.8° |
| C14 | C16 | C18 | C19 | 154.8° | 140.0° |
| C14 | C16 | C25 | H18 | 129.4° | 130.8° |
| C14 | C16 | C25 | C19 | 152.0° | 140.0° |
| C14 | C16 | C18 | H14 | 39.2° | 25.5° |
| C14 | C16 | C18 | H15 | 89.5° | 105.5° |
| C14 | C16 | C25 | H16 | 92.4° | 105.5° |
| C14 | C16 | C25 | H17 | 36.5° | 25.5° |
| O23 | C22 | O24 | C21 | 179.5° | 179.9° |
| O23 | C22 | C21 | C19 | 91.4° | 0.1° |
| O23 | C22 | C21 | H6 | 147.5° | 120.0° |
| O23 | C22 | C21 | H7 | 29.7° | 120.0° |
| O23 | C22 | O24 | H30 | 0.0° | 0.0° |
| C16 | C18 | C19 | H14 | 115.6° | 114.6° |
| C16 | C18 | C19 | H15 | 115.6° | 114.6° |
| C18 | C16 | C25 | H18 | 109.5° | 114.6° |
| C16 | C18 | C19 | C25 | 31.0° | 25.4° |
| C16 | C18 | C19 | C21 | 151.6° | 140.0° |
| C16 | C18 | H14 | H15 | 131.5° | 131.3° |
| C18 | C16 | C25 | H16 | 146.5° | 140.0° |
| C18 | C16 | C25 | H17 | 84.6° | 89.1° |
| C16 | C18 | C19 | H19 | 80.0° | 89.0° |
| C18 | C19 | C21 | C22 | 51.6° | 175.0° |
| C18 | C19 | C25 | C21 | 117.5° | 114.6° |
| C18 | C19 | C25 | H19 | 111.1° | 114.5° |
| C18 | C19 | C21 | H19 | 128.4° | 131.3° |
| C18 | C19 | C21 | H6 | 172.7° | 55.0° |
| C18 | C19 | C21 | H7 | 69.5° | 65.0° |
| C19 | C18 | H14 | H15 | 131.4° | 131.2° |
| C18 | C19 | C25 | H16 | 146.5° | 140.0° |
| C18 | C19 | C25 | H17 | 84.5° | 89.2° |
| C19 | C18 | C16 | H18 | 78.3° | 89.2° |
| C16 | C25 | C19 | H16 | 115.5° | 114.6° |
| C16 | C25 | C19 | H17 | 115.5° | 114.6° |
| C16 | C25 | C19 | C21 | 148.5° | 140.0° |
| C25 | C16 | C18 | H14 | 84.5° | 89.1° |
| C25 | C16 | C18 | H15 | 146.7° | 140.0° |
| C16 | C25 | H16 | H17 | 131.6° | 131.4° |
| C16 | C25 | C19 | H19 | 80.1° | 89.1° |
| O24 | C22 | C21 | C19 | 89.0° | 180.0° |
| O24 | C22 | C21 | H6 | 32.1° | 60.1° |
| O24 | C22 | C21 | H7 | 149.9° | 59.9° |
| C22 | C21 | C19 | C25 | 48.7° | 87.5° |
| C22 | C21 | C19 | H6 | 121.1° | 119.9° |
| C22 | C21 | C19 | H7 | 121.1° | 120.1° |
| C22 | C21 | H6 | H7 | 116.5° | 120.0° |
| C22 | C21 | C19 | H19 | 180.0° | 43.7° |
| C21 | C22 | O24 | H30 | 179.5° | 179.9° |
| C25 | C19 | C21 | H19 | 131.2° | 131.2° |
| C25 | C19 | C21 | H6 | 72.4° | 152.6° |
| C25 | C19 | C21 | H7 | 169.8° | 32.6° |
| C25 | C19 | C18 | H14 | 84.7° | 89.2° |
| C25 | C19 | C18 | H15 | 146.6° | 140.0° |
| C19 | C25 | H16 | H17 | 131.7° | 131.2° |
| C19 | C25 | C16 | H18 | 78.6° | 89.2° |
| C19 | C21 | H6 | H7 | 116.5° | 120.0° |
| C21 | C19 | C18 | H14 | 35.9° | 25.4° |
| C21 | C19 | C18 | H15 | 92.8° | 105.5° |
| C21 | C19 | C25 | H16 | 95.9° | 105.4° |
| C21 | C19 | C25 | H17 | 33.0° | 25.4° |
| H1 | C4 | C5 | H2 | 0.4° | 0.3° |
| H4 | C10 | C11 | H11 | 66.6° | 72.4° |
| H4 | C10 | C11 | H12 | 53.6° | 46.9° |
| H5 | C10 | C11 | H11 | 52.0° | 48.4° |
| H5 | C10 | C11 | H12 | 172.2° | 167.7° |
| H6 | C21 | C19 | H19 | 58.9° | 76.3° |
| H7 | C21 | C19 | H19 | 58.9° | 163.7° |
| H10 | C32 | C33 | H13 | 10.1° | 0.0° |
| H14 | C18 | C16 | H18 | 166.0° | 156.3° |
| H14 | C18 | C19 | H19 | 164.4° | 156.4° |
| H15 | C18 | C16 | H18 | 37.3° | 25.3° |
| H15 | C18 | C19 | H19 | 35.7° | 25.5° |
| H16 | C25 | C16 | H18 | 37.0° | 25.3° |
| H16 | C25 | C19 | H19 | 35.4° | 25.4° |
| H17 | C25 | C16 | H18 | 165.9° | 156.3° |
| H17 | C25 | C19 | H19 | 164.4° | 156.3° |
| H20 | C35 | H21 | H22 | 120.0° | 120.0° |
| H23 | C36 | H24 | H25 | 119.9° | 120.0° |
| H26 | C1 | H27 | H28 | 120.0° | 120.0° |
