A1JU5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | C40 | doub | 1.39Å | 1.38Å | Aromatic |
| C41 | C42 | sing | 1.36Å | 1.38Å | Aromatic |
| C40 | C39 | sing | 1.36Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.54Å | 1.56Å | |
| C16 | C14 | sing | 1.55Å | 1.54Å | |
| C17 | C18 | sing | 1.55Å | 1.53Å | |
| C14 | N21 | sing | 1.49Å | 1.49Å | |
| C14 | C13 | sing | 1.54Å | 1.53Å | |
| C42 | C43 | doub | 1.40Å | 1.42Å | Aromatic |
| C39 | C38 | doub | 1.41Å | 1.42Å | Aromatic |
| N21 | C18 | sing | 1.49Å | 1.49Å | |
| C18 | C20 | sing | 1.54Å | 1.53Å | |
| C43 | C38 | sing | 1.42Å | 1.42Å | Aromatic |
| C43 | C33 | sing | 1.42Å | 1.44Å | Aromatic |
| C13 | N12 | sing | 1.47Å | 1.48Å | |
| C38 | C37 | sing | 1.40Å | 1.40Å | Aromatic |
| C45 | C44 | sing | 1.53Å | 1.49Å | |
| C45 | C6 | sing | 1.53Å | 1.50Å | |
| F27 | C26 | sing | 1.35Å | 1.35Å | |
| N12 | C11 | sing | 1.38Å | 1.41Å | |
| N12 | C20 | sing | 1.47Å | 1.47Å | |
| C25 | C26 | doub | 1.36Å | 1.37Å | Aromatic |
| C25 | C24 | sing | 1.40Å | 1.42Å | Aromatic |
| C26 | C28 | sing | 1.41Å | 1.39Å | Aromatic |
| C11 | C24 | sing | 1.42Å | 1.46Å | Aromatic |
| C11 | N10 | doub | 1.32Å | 1.34Å | Aromatic |
| C24 | C31 | doub | 1.42Å | 1.42Å | Aromatic |
| C28 | C33 | sing | 1.48Å | 1.50Å | |
| C28 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| N10 | C9 | sing | 1.33Å | 1.34Å | Aromatic |
| C31 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
| C31 | N32 | sing | 1.34Å | 1.34Å | Aromatic |
| C29 | F30 | sing | 1.35Å | 1.35Å | |
| C9 | N32 | doub | 1.32Å | 1.32Å | Aromatic |
| C9 | O8 | sing | 1.35Å | 1.34Å | |
| O8 | C7 | sing | 1.43Å | 1.43Å | |
| C44 | C6 | sing | 1.53Å | 1.50Å | |
| C37 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C34 | C35 | sing | 1.40Å | 1.39Å | Aromatic |
| C35 | O36 | sing | 1.36Å | 1.37Å | |
| C5 | N2 | sing | 1.47Å | 1.50Å | |
| N2 | C4 | sing | 1.47Å | 1.49Å | |
| N2 | C1 | sing | 1.47Å | 1.49Å | |
| C1 | H46 | sing | 1.09Å | 1.10Å | |
| C1 | H47 | sing | 1.09Å | 1.10Å | |
| C1 | H48 | sing | 1.09Å | 1.10Å | |
| C5 | H53 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C7 | H55 | sing | 1.09Å | 1.10Å | |
| C7 | H54 | sing | 1.09Å | 1.10Å | |
| C13 | H56 | sing | 1.09Å | 1.10Å | |
| C13 | H57 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H58 | sing | 1.09Å | 1.10Å | |
| C16 | H59 | sing | 1.09Å | 1.10Å | |
| C25 | H64 | sing | 1.08Å | 1.08Å | |
| C37 | H67 | sing | 1.08Å | 1.08Å | |
| C39 | H68 | sing | 1.08Å | 1.08Å | |
| C40 | H69 | sing | 1.08Å | 1.08Å | |
| C42 | H71 | sing | 1.08Å | 1.08Å | |
| C4 | H49 | sing | 1.09Å | 1.10Å | |
| C4 | H50 | sing | 1.09Å | 1.10Å | |
| C4 | H51 | sing | 1.09Å | 1.10Å | |
| C17 | H60 | sing | 1.09Å | 1.10Å | |
| C17 | H61 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H63 | sing | 1.09Å | 1.10Å | |
| C20 | H62 | sing | 1.09Å | 1.10Å | |
| N21 | H22 | sing | 1.01Å | 1.00Å | |
| C34 | H65 | sing | 1.08Å | 1.08Å | |
| O36 | H66 | sing | 0.97Å | 0.95Å | |
| C41 | H70 | sing | 1.08Å | 1.08Å | |
| C44 | H72 | sing | 1.09Å | 1.10Å | |
| C44 | H73 | sing | 1.09Å | 1.10Å | |
| C45 | H75 | sing | 1.09Å | 1.10Å | |
| C45 | H74 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C41 | C42 | 120.5° | 121.0° |
| C41 | C40 | C39 | 120.4° | 121.0° |
| C41 | C40 | H69 | 119.8° | 119.5° |
| C40 | C41 | H70 | 119.8° | 119.5° |
| C41 | C42 | C43 | 121.2° | 119.7° |
| C41 | C42 | H71 | 119.4° | 120.2° |
| C42 | C41 | H70 | 119.7° | 119.5° |
| C40 | C39 | C38 | 121.0° | 119.6° |
| C40 | C39 | H68 | 119.5° | 120.2° |
| C39 | C40 | H69 | 119.8° | 119.5° |
| C17 | C16 | C14 | 105.2° | 104.7° |
| C16 | C17 | C18 | 104.9° | 104.7° |
| C17 | C16 | H58 | 110.5° | 110.4° |
| C17 | C16 | H59 | 110.5° | 110.4° |
| C16 | C17 | H60 | 110.6° | 110.4° |
| C16 | C17 | H61 | 110.6° | 110.3° |
| C16 | C14 | N21 | 100.2° | 104.0° |
| C16 | C14 | C13 | 112.9° | 107.6° |
| C16 | C14 | H15 | 111.7° | 113.0° |
| C14 | C16 | H58 | 110.5° | 110.4° |
| C14 | C16 | H59 | 110.5° | 110.4° |
| C17 | C18 | N21 | 99.3° | 104.0° |
| C17 | C18 | C20 | 115.2° | 107.6° |
| C18 | C17 | H60 | 110.6° | 110.4° |
| C18 | C17 | H61 | 110.6° | 110.4° |
| C17 | C18 | H19 | 111.2° | 112.4° |
| N21 | C14 | C13 | 107.2° | 106.9° |
| C14 | N21 | C18 | 104.3° | 103.0° |
| N21 | C14 | H15 | 112.4° | 112.4° |
| C14 | N21 | H22 | 110.8° | 111.0° |
| C14 | C13 | N12 | 112.9° | 109.0° |
| C14 | C13 | H56 | 108.6° | 109.6° |
| C14 | C13 | H57 | 108.6° | 109.7° |
| C13 | C14 | H15 | 111.9° | 112.3° |
| C42 | C43 | C38 | 117.8° | 119.4° |
| C42 | C43 | C33 | 123.0° | 121.1° |
| C43 | C42 | H71 | 119.4° | 120.2° |
| C39 | C38 | C43 | 119.1° | 119.3° |
| C39 | C38 | C37 | 121.7° | 121.1° |
| C38 | C39 | H68 | 119.5° | 120.2° |
| N21 | C18 | C20 | 107.3° | 107.0° |
| N21 | C18 | H19 | 111.8° | 113.0° |
| C18 | N21 | H22 | 110.8° | 111.1° |
| C18 | C20 | N12 | 113.0° | 109.0° |
| C20 | C18 | H19 | 111.3° | 112.3° |
| C18 | C20 | H63 | 108.6° | 109.6° |
| C18 | C20 | H62 | 108.6° | 109.6° |
| C38 | C43 | C33 | 119.2° | 119.4° |
| C43 | C38 | C37 | 119.2° | 119.6° |
| C43 | C33 | C28 | 123.8° | 120.2° |
| C43 | C33 | C34 | 118.9° | 119.6° |
| C13 | N12 | C11 | 118.2° | 111.0° |
| C13 | N12 | C20 | 112.9° | 111.7° |
| N12 | C13 | H56 | 108.6° | 109.5° |
| N12 | C13 | H57 | 108.6° | 109.5° |
| C38 | C37 | C35 | 121.1° | 120.0° |
| C38 | C37 | H67 | 119.5° | 120.0° |
| C44 | C45 | C6 | 60.1° | 60.0° |
| C45 | C44 | C6 | 60.0° | 60.0° |
| C45 | C44 | H72 | 120.0° | 117.5° |
| C45 | C44 | H73 | 120.0° | 117.5° |
| C44 | C45 | H75 | 120.0° | 117.5° |
| C44 | C45 | H74 | 120.0° | 117.5° |
| C45 | C6 | C44 | 59.8° | 60.1° |
| C45 | C6 | C7 | 116.8° | 117.5° |
| C45 | C6 | C5 | 116.0° | 117.5° |
| C6 | C45 | H75 | 120.0° | 117.6° |
| C6 | C45 | H74 | 120.0° | 117.5° |
| F27 | C26 | C25 | 118.8° | 119.6° |
| F27 | C26 | C28 | 118.4° | 119.6° |
| C11 | N12 | C20 | 121.2° | 111.0° |
| N12 | C11 | C24 | 124.4° | 120.8° |
| N12 | C11 | N10 | 116.7° | 120.9° |
| N12 | C20 | H63 | 108.6° | 109.5° |
| N12 | C20 | H62 | 108.6° | 109.6° |
| C26 | C25 | C24 | 120.3° | 119.9° |
| C25 | C26 | C28 | 122.7° | 120.8° |
| C26 | C25 | H64 | 119.9° | 120.0° |
| C25 | C24 | C11 | 125.2° | 121.7° |
| C25 | C24 | C31 | 117.6° | 120.0° |
| C24 | C25 | H64 | 119.9° | 120.1° |
| C26 | C28 | C33 | 123.4° | 119.8° |
| C26 | C28 | C29 | 118.2° | 120.4° |
| C24 | C11 | N10 | 118.8° | 118.3° |
| C11 | C24 | C31 | 117.2° | 118.2° |
| C11 | N10 | C9 | 117.9° | 121.5° |
| C24 | C31 | C29 | 120.1° | 119.5° |
| C24 | C31 | N32 | 121.2° | 118.7° |
| C33 | C28 | C29 | 118.5° | 119.8° |
| C28 | C33 | C34 | 117.3° | 120.2° |
| C28 | C29 | C31 | 121.1° | 119.4° |
| C28 | C29 | F30 | 119.3° | 120.3° |
| C33 | C34 | C35 | 121.5° | 120.6° |
| C33 | C34 | H65 | 119.2° | 119.7° |
| N10 | C9 | N32 | 128.0° | 122.8° |
| N10 | C9 | O8 | 119.2° | 118.6° |
| C29 | C31 | N32 | 118.8° | 121.8° |
| C31 | C29 | F30 | 119.5° | 120.3° |
| C31 | N32 | C9 | 116.8° | 120.4° |
| N32 | C9 | O8 | 112.7° | 118.6° |
| C9 | O8 | C7 | 119.7° | 117.0° |
| O8 | C7 | C6 | 106.7° | 109.5° |
| O8 | C7 | H55 | 110.1° | 109.4° |
| O8 | C7 | H54 | 110.2° | 109.5° |
| C44 | C6 | C7 | 117.1° | 117.5° |
| C44 | C6 | C5 | 117.7° | 117.5° |
| C6 | C44 | H72 | 120.0° | 117.5° |
| C6 | C44 | H73 | 120.0° | 117.5° |
| C37 | C35 | C34 | 120.2° | 120.8° |
| C37 | C35 | O36 | 119.8° | 119.6° |
| C35 | C37 | H67 | 119.4° | 120.0° |
| C7 | C6 | C5 | 117.0° | 115.5° |
| C6 | C7 | H55 | 110.1° | 109.5° |
| C6 | C7 | H54 | 110.1° | 109.5° |
| C6 | C5 | N2 | 114.7° | 109.5° |
| C6 | C5 | H53 | 108.1° | 109.5° |
| C6 | C5 | H52 | 108.1° | 109.4° |
| C34 | C35 | O36 | 120.0° | 119.6° |
| C35 | C34 | H65 | 119.2° | 119.6° |
| C35 | O36 | H66 | 109.5° | 114.0° |
| C5 | N2 | C4 | 111.6° | 111.0° |
| C5 | N2 | C1 | 111.9° | 111.0° |
| N2 | C5 | H53 | 108.2° | 109.5° |
| N2 | C5 | H52 | 108.2° | 109.5° |
| C4 | N2 | C1 | 110.5° | 111.0° |
| N2 | C4 | H49 | 109.5° | 109.5° |
| N2 | C4 | H50 | 109.4° | 109.4° |
| N2 | C4 | H51 | 109.4° | 109.4° |
| N2 | C1 | H46 | 109.5° | 109.5° |
| N2 | C1 | H47 | 109.5° | 109.4° |
| N2 | C1 | H48 | 109.5° | 109.5° |
| H46 | C1 | H47 | 109.4° | 109.4° |
| H46 | C1 | H48 | 109.5° | 109.5° |
| H47 | C1 | H48 | 109.5° | 109.5° |
| H53 | C5 | H52 | 109.5° | 109.4° |
| H55 | C7 | H54 | 109.5° | 109.5° |
| H56 | C13 | H57 | 109.5° | 109.6° |
| H58 | C16 | H59 | 109.5° | 110.4° |
| H49 | C4 | H50 | 109.5° | 109.5° |
| H49 | C4 | H51 | 109.5° | 109.5° |
| H50 | C4 | H51 | 109.5° | 109.5° |
| H60 | C17 | H61 | 109.4° | 110.4° |
| H63 | C20 | H62 | 109.5° | 109.6° |
| H72 | C44 | H73 | 109.5° | 115.6° |
| H75 | C45 | H74 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C41 | C42 | H70 | 180.0° | 179.9° |
| C41 | C40 | C39 | H69 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 0.0° | 0.0° |
| C41 | C40 | C39 | C38 | 0.0° | 0.0° |
| C41 | C40 | C39 | H68 | 179.9° | 179.9° |
| C40 | C41 | C42 | H71 | 180.0° | 180.0° |
| C42 | C41 | C40 | C39 | 0.0° | 0.0° |
| C41 | C42 | C43 | H71 | 180.0° | 180.0° |
| C41 | C42 | C43 | C38 | 0.0° | 0.0° |
| C41 | C42 | C43 | C33 | 180.0° | 180.0° |
| C42 | C41 | C40 | H69 | 180.0° | 180.0° |
| C40 | C39 | C38 | H68 | 180.0° | 179.9° |
| C40 | C39 | C38 | C43 | 0.0° | 0.1° |
| C40 | C39 | C38 | C37 | 180.0° | 180.0° |
| C39 | C40 | C41 | H70 | 179.9° | 179.9° |
| C17 | C16 | C14 | H58 | 119.3° | 118.8° |
| C17 | C16 | C14 | H59 | 119.3° | 118.8° |
| C16 | C17 | C18 | H60 | 119.3° | 118.8° |
| C16 | C17 | C18 | H61 | 119.3° | 118.7° |
| C17 | C16 | C14 | N21 | 25.8° | 26.0° |
| C17 | C16 | C14 | C13 | 87.9° | 87.3° |
| C16 | C17 | C18 | N21 | 31.8° | 25.9° |
| C16 | C17 | C18 | C20 | 82.5° | 87.3° |
| C17 | C16 | C14 | H15 | 145.0° | 148.2° |
| C17 | C16 | H58 | H59 | 122.0° | 122.4° |
| C16 | C17 | H60 | H61 | 122.1° | 122.3° |
| C16 | C17 | C18 | H19 | 149.7° | 148.5° |
| C14 | C16 | C17 | C18 | 3.8° | 0.0° |
| C16 | C14 | N21 | C13 | 118.0° | 113.7° |
| C16 | C14 | N21 | H15 | 118.7° | 122.6° |
| C16 | C14 | C13 | H15 | 127.0° | 125.0° |
| C16 | C14 | N21 | C18 | 48.1° | 42.8° |
| C16 | C14 | C13 | N12 | 50.9° | 47.6° |
| C16 | C14 | C13 | H56 | 171.4° | 167.5° |
| C16 | C14 | C13 | H57 | 69.6° | 72.3° |
| C14 | C16 | H58 | H59 | 121.9° | 122.3° |
| C14 | C16 | C17 | H60 | 123.1° | 118.9° |
| C14 | C16 | C17 | H61 | 115.5° | 118.8° |
| C16 | C14 | N21 | H22 | 71.1° | 76.1° |
| C17 | C18 | N21 | C14 | 50.4° | 42.8° |
| C17 | C18 | N21 | C20 | 120.2° | 113.7° |
| C17 | C18 | N21 | H19 | 117.5° | 122.1° |
| C17 | C18 | C20 | H19 | 127.8° | 124.2° |
| C17 | C18 | C20 | N12 | 51.2° | 47.7° |
| C18 | C17 | C16 | H58 | 123.1° | 118.9° |
| C18 | C17 | C16 | H59 | 115.5° | 118.8° |
| C18 | C17 | H60 | H61 | 122.1° | 122.4° |
| C17 | C18 | C20 | H63 | 69.3° | 167.5° |
| C17 | C18 | C20 | H62 | 171.7° | 72.2° |
| C17 | C18 | N21 | H22 | 68.8° | 76.1° |
| N21 | C14 | C13 | H15 | 123.6° | 123.8° |
| C14 | N21 | C18 | H22 | 119.2° | 118.9° |
| C14 | N21 | C18 | C20 | 69.8° | 70.9° |
| N21 | C14 | C13 | N12 | 58.5° | 63.6° |
| N21 | C14 | C13 | H56 | 62.0° | 56.2° |
| N21 | C14 | C13 | H57 | 179.0° | 176.5° |
| N21 | C14 | C16 | H58 | 93.5° | 144.8° |
| N21 | C14 | C16 | H59 | 145.1° | 92.9° |
| C14 | N21 | C18 | H19 | 167.9° | 164.9° |
| C13 | C14 | N21 | C18 | 69.9° | 70.9° |
| C14 | C13 | N12 | H56 | 120.5° | 119.8° |
| C14 | C13 | N12 | H57 | 120.5° | 120.0° |
| C14 | C13 | N12 | C11 | 104.4° | 69.1° |
| C14 | C13 | N12 | C20 | 45.5° | 55.3° |
| C14 | C13 | H56 | H57 | 118.4° | 120.3° |
| C13 | C14 | C16 | H58 | 152.8° | 31.5° |
| C13 | C14 | C16 | H59 | 31.4° | 153.9° |
| C13 | C14 | N21 | H22 | 170.9° | 170.2° |
| C42 | C43 | C38 | C39 | 0.0° | 0.1° |
| C42 | C43 | C38 | C33 | 180.0° | 180.0° |
| C42 | C43 | C38 | C37 | 180.0° | 180.0° |
| C42 | C43 | C33 | C28 | 0.1° | 0.0° |
| C42 | C43 | C33 | C34 | 179.9° | 179.7° |
| C43 | C42 | C41 | H70 | 180.0° | 179.9° |
| C39 | C38 | C43 | C37 | 180.0° | 179.9° |
| C39 | C38 | C43 | C33 | 180.0° | 180.0° |
| C39 | C38 | C37 | C35 | 180.0° | 179.9° |
| C39 | C38 | C37 | H67 | 0.0° | 0.1° |
| C38 | C39 | C40 | H69 | 180.0° | 180.0° |
| N21 | C18 | C20 | H19 | 122.6° | 124.5° |
| N21 | C18 | C20 | N12 | 58.3° | 63.6° |
| C18 | N21 | C14 | H15 | 166.8° | 165.4° |
| N21 | C18 | C17 | H60 | 151.1° | 144.8° |
| N21 | C18 | C17 | H61 | 87.5° | 92.8° |
| N21 | C18 | C20 | H63 | 178.9° | 56.2° |
| N21 | C18 | C20 | H62 | 62.2° | 176.5° |
| C18 | C20 | N12 | C13 | 45.3° | 55.3° |
| C18 | C20 | N12 | C11 | 103.6° | 69.1° |
| C18 | C20 | N12 | H63 | 120.6° | 119.8° |
| C18 | C20 | N12 | H62 | 120.5° | 119.9° |
| C20 | C18 | C17 | H60 | 36.8° | 31.5° |
| C20 | C18 | C17 | H61 | 158.2° | 153.9° |
| C18 | C20 | H63 | H62 | 118.4° | 120.3° |
| C20 | C18 | N21 | H22 | 171.0° | 170.2° |
| C38 | C43 | C33 | C28 | 179.9° | 180.0° |
| C38 | C43 | C33 | C34 | 0.1° | 0.3° |
| C43 | C38 | C37 | C35 | 0.0° | 0.0° |
| C43 | C38 | C37 | H67 | 180.0° | 180.0° |
| C43 | C38 | C39 | H68 | 180.0° | 180.0° |
| C38 | C43 | C42 | H71 | 180.0° | 180.0° |
| C33 | C43 | C38 | C37 | 0.0° | 0.0° |
| C43 | C33 | C28 | C26 | 117.3° | 90.0° |
| C43 | C33 | C28 | C34 | 179.8° | 179.7° |
| C43 | C33 | C28 | C29 | 62.8° | 90.0° |
| C43 | C33 | C34 | C35 | 0.1° | 0.5° |
| C33 | C43 | C42 | H71 | 0.0° | 0.0° |
| C43 | C33 | C34 | H65 | 179.9° | 179.7° |
| C13 | N12 | C11 | C20 | 147.3° | 124.8° |
| C13 | N12 | C11 | C24 | 40.7° | 117.3° |
| C13 | N12 | C11 | N10 | 139.0° | 62.4° |
| N12 | C13 | H56 | H57 | 118.4° | 120.2° |
| N12 | C13 | C14 | H15 | 177.9° | 172.6° |
| C13 | N12 | C20 | H63 | 165.9° | 64.5° |
| C13 | N12 | C20 | H62 | 75.2° | 175.2° |
| C38 | C37 | C35 | H67 | 180.0° | 180.0° |
| C38 | C37 | C35 | C34 | 0.1° | 0.2° |
| C38 | C37 | C35 | O36 | 180.0° | 180.0° |
| C37 | C38 | C39 | H68 | 0.0° | 0.1° |
| C44 | C45 | C6 | H75 | 109.5° | 107.5° |
| C44 | C45 | C6 | H74 | 109.5° | 107.5° |
| C45 | C44 | C6 | H72 | 109.5° | 107.5° |
| C45 | C44 | C6 | H73 | 109.5° | 107.4° |
| C45 | C44 | C6 | C7 | 106.8° | 107.6° |
| C44 | C45 | C6 | C5 | 108.4° | 107.5° |
| C45 | C44 | H72 | H73 | 144.7° | 145.7° |
| C44 | C45 | H75 | H74 | 144.7° | 145.7° |
| C45 | C6 | C7 | O8 | 71.7° | 83.4° |
| C45 | C6 | C7 | C5 | 144.0° | 145.7° |
| C45 | C6 | C5 | N2 | 149.5° | 160.6° |
| C45 | C6 | C5 | H53 | 89.8° | 79.3° |
| C45 | C6 | C5 | H52 | 28.7° | 40.6° |
| C45 | C6 | C7 | H55 | 47.8° | 156.6° |
| C45 | C6 | C7 | H54 | 168.7° | 36.6° |
| C6 | C45 | H75 | H74 | 144.7° | 145.7° |
| F27 | C26 | C25 | C28 | 179.9° | 179.9° |
| F27 | C26 | C25 | C24 | 179.9° | 179.9° |
| F27 | C26 | C28 | C33 | 0.1° | 0.1° |
| F27 | C26 | C28 | C29 | 180.0° | 179.9° |
| F27 | C26 | C25 | H64 | 0.1° | 0.0° |
| N12 | C11 | C24 | C25 | 0.4° | 0.3° |
| N12 | C11 | C24 | N10 | 179.7° | 179.7° |
| N12 | C11 | C24 | C31 | 179.8° | 179.7° |
| N12 | C11 | N10 | C9 | 179.8° | 179.7° |
| C11 | N12 | C13 | H56 | 135.0° | 171.1° |
| C11 | N12 | C13 | H57 | 16.0° | 50.9° |
| C11 | N12 | C20 | H63 | 17.0° | 171.1° |
| C11 | N12 | C20 | H62 | 135.9° | 50.8° |
| C20 | N12 | C11 | C24 | 172.0° | 117.9° |
| C20 | N12 | C11 | N10 | 8.3° | 62.4° |
| C20 | N12 | C13 | H56 | 75.0° | 64.5° |
| C20 | N12 | C13 | H57 | 166.0° | 175.3° |
| N12 | C20 | C18 | H19 | 179.0° | 171.9° |
| N12 | C20 | H63 | H62 | 118.4° | 120.3° |
| C26 | C25 | C24 | H64 | 180.0° | 179.9° |
| C26 | C25 | C24 | C11 | 179.9° | 180.0° |
| C26 | C25 | C24 | C31 | 0.1° | 0.0° |
| C25 | C26 | C28 | C33 | 180.0° | 180.0° |
| C25 | C26 | C28 | C29 | 0.1° | 0.0° |
| C24 | C25 | C26 | C28 | 0.0° | 0.0° |
| C25 | C24 | C11 | C31 | 179.8° | 180.0° |
| C25 | C24 | C11 | N10 | 180.0° | 180.0° |
| C25 | C24 | C31 | C29 | 0.1° | 0.0° |
| C25 | C24 | C31 | N32 | 179.9° | 180.0° |
| C26 | C28 | C33 | C29 | 179.9° | 180.0° |
| C26 | C28 | C33 | C34 | 62.9° | 90.2° |
| C26 | C28 | C29 | C31 | 0.1° | 0.0° |
| C26 | C28 | C29 | F30 | 180.0° | 180.0° |
| C28 | C26 | C25 | H64 | 180.0° | 179.9° |
| C24 | C11 | N10 | C9 | 0.1° | 0.0° |
| C11 | C24 | C31 | C29 | 179.9° | 180.0° |
| C11 | C24 | C31 | N32 | 0.0° | 0.0° |
| C11 | C24 | C25 | H64 | 0.1° | 0.0° |
| N10 | C11 | C24 | C31 | 0.1° | 0.0° |
| C11 | N10 | C9 | N32 | 0.1° | 0.0° |
| C11 | N10 | C9 | O8 | 179.9° | 180.0° |
| C24 | C31 | C29 | C28 | 0.0° | 0.0° |
| C24 | C31 | C29 | N32 | 179.9° | 179.9° |
| C24 | C31 | C29 | F30 | 179.9° | 179.9° |
| C24 | C31 | N32 | C9 | 0.0° | 0.0° |
| C31 | C24 | C25 | H64 | 179.9° | 179.9° |
| C33 | C28 | C29 | C31 | 180.0° | 180.0° |
| C33 | C28 | C29 | F30 | 0.1° | 0.0° |
| C28 | C33 | C34 | C35 | 180.0° | 179.7° |
| C28 | C33 | C34 | H65 | 0.1° | 0.0° |
| C29 | C28 | C33 | C34 | 117.0° | 89.8° |
| C28 | C29 | C31 | F30 | 179.9° | 180.0° |
| C28 | C29 | C31 | N32 | 179.9° | 180.0° |
| C33 | C34 | C35 | C37 | 0.1° | 0.5° |
| C33 | C34 | C35 | H65 | 180.0° | 179.8° |
| C33 | C34 | C35 | O36 | 180.0° | 179.7° |
| N10 | C9 | N32 | C31 | 0.0° | 0.0° |
| N10 | C9 | N32 | O8 | 180.0° | 179.9° |
| N10 | C9 | O8 | C7 | 14.9° | 180.0° |
| C29 | C31 | N32 | C9 | 180.0° | 180.0° |
| N32 | C31 | C29 | F30 | 0.1° | 0.0° |
| C31 | N32 | C9 | O8 | 180.0° | 179.9° |
| N32 | C9 | O8 | C7 | 165.1° | 0.1° |
| C9 | O8 | C7 | C6 | 169.7° | 175.1° |
| C9 | O8 | C7 | H55 | 70.7° | 65.0° |
| C9 | O8 | C7 | H54 | 50.2° | 55.0° |
| O8 | C7 | C6 | C44 | 139.8° | 152.1° |
| O8 | C7 | C6 | H55 | 119.5° | 119.9° |
| O8 | C7 | C6 | H54 | 119.5° | 120.0° |
| O8 | C7 | C6 | C5 | 72.3° | 62.2° |
| O8 | C7 | H55 | H54 | 121.3° | 120.0° |
| C44 | C6 | C7 | C5 | 147.9° | 145.6° |
| C44 | C6 | C5 | N2 | 81.5° | 91.9° |
| C44 | C6 | C5 | H53 | 157.8° | 148.0° |
| C44 | C6 | C5 | H52 | 39.3° | 28.1° |
| C44 | C6 | C7 | H55 | 20.3° | 87.9° |
| C44 | C6 | C7 | H54 | 100.6° | 32.1° |
| C6 | C44 | H72 | H73 | 144.7° | 145.8° |
| C37 | C35 | C34 | O36 | 179.9° | 179.8° |
| C37 | C35 | C34 | H65 | 179.9° | 179.7° |
| C37 | C35 | O36 | H66 | 180.0° | 89.9° |
| C7 | C6 | C5 | N2 | 66.2° | 53.7° |
| C7 | C6 | C5 | H53 | 54.5° | 66.4° |
| C7 | C6 | C5 | H52 | 173.0° | 173.7° |
| C6 | C7 | H55 | H54 | 121.3° | 120.0° |
| C7 | C6 | C44 | H72 | 143.7° | 0.1° |
| C7 | C6 | C44 | H73 | 2.7° | 145.0° |
| C7 | C6 | C45 | H75 | 2.2° | 145.0° |
| C7 | C6 | C45 | H74 | 143.2° | 0.0° |
| C6 | C5 | N2 | H53 | 120.7° | 120.1° |
| C6 | C5 | N2 | H52 | 120.7° | 120.0° |
| C6 | C5 | N2 | C4 | 67.6° | 172.5° |
| C6 | C5 | N2 | C1 | 168.0° | 63.5° |
| C6 | C5 | H53 | H52 | 117.6° | 119.9° |
| C5 | C6 | C7 | H55 | 168.2° | 57.7° |
| C5 | C6 | C7 | H54 | 47.3° | 177.7° |
| C5 | C6 | C44 | H72 | 4.0° | 145.0° |
| C5 | C6 | C44 | H73 | 145.0° | 0.1° |
| C5 | C6 | C45 | H75 | 142.1° | 0.0° |
| C5 | C6 | C45 | H74 | 1.2° | 145.0° |
| C34 | C35 | C37 | H67 | 180.0° | 179.8° |
| C34 | C35 | O36 | H66 | 0.1° | 90.3° |
| O36 | C35 | C37 | H67 | 0.0° | 0.0° |
| O36 | C35 | C34 | H65 | 0.0° | 0.1° |
| C5 | N2 | C4 | C1 | 125.2° | 124.0° |
| C5 | N2 | C1 | H46 | 180.0° | 56.0° |
| C5 | N2 | C1 | H47 | 60.0° | 175.9° |
| C5 | N2 | C1 | H48 | 60.0° | 64.1° |
| N2 | C5 | H53 | H52 | 117.7° | 120.0° |
| C5 | N2 | C4 | H49 | 180.0° | 60.0° |
| C5 | N2 | C4 | H50 | 60.0° | 180.0° |
| C5 | N2 | C4 | H51 | 60.0° | 60.0° |
| C4 | N2 | C1 | H46 | 55.0° | 179.9° |
| C4 | N2 | C1 | H47 | 174.9° | 60.1° |
| C4 | N2 | C1 | H48 | 65.1° | 59.9° |
| C4 | N2 | C5 | H53 | 171.7° | 52.4° |
| C4 | N2 | C5 | H52 | 53.2° | 67.5° |
| N2 | C4 | H49 | H50 | 120.0° | 120.0° |
| N2 | C4 | H49 | H51 | 120.0° | 120.0° |
| N2 | C4 | H50 | H51 | 120.0° | 119.9° |
| N2 | C1 | H46 | H47 | 120.0° | 119.9° |
| N2 | C1 | H46 | H48 | 120.0° | 120.1° |
| N2 | C1 | H47 | H48 | 120.0° | 120.0° |
| C1 | N2 | C5 | H53 | 47.2° | 176.4° |
| C1 | N2 | C5 | H52 | 71.3° | 56.4° |
| C1 | N2 | C4 | H49 | 54.8° | 64.0° |
| C1 | N2 | C4 | H50 | 65.2° | 56.1° |
| C1 | N2 | C4 | H51 | 174.8° | 176.1° |
| H46 | C1 | H47 | H48 | 120.0° | 120.0° |
| H56 | C13 | C14 | H15 | 61.6° | 67.5° |
| H57 | C13 | C14 | H15 | 57.4° | 52.7° |
| H15 | C14 | C16 | H58 | 25.7° | 93.0° |
| H15 | C14 | C16 | H59 | 95.7° | 29.3° |
| H15 | C14 | N21 | H22 | 47.6° | 46.5° |
| H58 | C16 | C17 | H60 | 117.6° | 0.0° |
| H58 | C16 | C17 | H61 | 3.8° | 122.4° |
| H59 | C16 | C17 | H60 | 3.8° | 122.4° |
| H59 | C16 | C17 | H61 | 125.2° | 0.0° |
| H68 | C39 | C40 | H69 | 0.0° | 0.1° |
| H69 | C40 | C41 | H70 | 0.0° | 0.0° |
| H71 | C42 | C41 | H70 | 0.0° | 0.0° |
| H49 | C4 | H50 | H51 | 120.0° | 120.0° |
| H60 | C17 | C18 | H19 | 91.0° | 92.7° |
| H61 | C17 | C18 | H19 | 30.4° | 29.7° |
| H19 | C18 | C20 | H63 | 58.5° | 68.3° |
| H19 | C18 | C20 | H62 | 60.4° | 52.0° |
| H19 | C18 | N21 | H22 | 48.7° | 46.1° |
| H72 | C44 | C45 | H75 | 141.0° | 145.0° |
| H72 | C44 | C45 | H74 | 0.0° | 0.0° |
| H73 | C44 | C45 | H75 | 0.0° | 0.0° |
| H73 | C44 | C45 | H74 | 141.0° | 145.0° |
