A1L65
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N46 | C44 | doub | 1.30Å | 1.35Å | Aromatic |
| N46 | N45 | sing | 1.40Å | 1.34Å | Aromatic |
| C44 | C42 | sing | 1.41Å | 1.42Å | Aromatic |
| N45 | C43 | sing | 1.37Å | 1.39Å | Aromatic |
| N33 | C32 | sing | 1.49Å | 1.45Å | |
| N33 | C35 | sing | 1.50Å | 1.47Å | |
| C42 | C43 | doub | 1.41Å | 1.39Å | Aromatic |
| C42 | C4 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C11 | O12 | sing | 1.43Å | 1.49Å | |
| C43 | C41 | sing | 1.39Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.48Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C37 | sing | 1.56Å | 1.49Å | |
| C35 | C31 | sing | 1.56Å | 1.54Å | |
| C35 | C36 | sing | 1.57Å | 1.50Å | |
| C10 | C5 | sing | 1.38Å | 1.36Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | N30 | sing | 1.48Å | 1.46Å | |
| C3 | C15 | sing | 1.51Å | 1.48Å | |
| C3 | C1 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.36Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C4 | sing | 1.48Å | 1.47Å | |
| C14 | C13 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | C40 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.42Å | 1.38Å | Aromatic |
| C17 | C29 | sing | 1.42Å | 1.38Å | Aromatic |
| N30 | C29 | sing | 1.38Å | 1.38Å | |
| N30 | C37 | sing | 1.50Å | 1.46Å | |
| C13 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | O12 | sing | 1.36Å | 1.42Å | |
| C41 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | N19 | sing | 1.34Å | 1.37Å | Aromatic |
| C29 | N28 | doub | 1.33Å | 1.34Å | Aromatic |
| C37 | C36 | sing | 1.57Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | C25 | sing | 1.53Å | 1.52Å | |
| N19 | C27 | doub | 1.32Å | 1.32Å | Aromatic |
| N28 | C27 | sing | 1.33Å | 1.33Å | Aromatic |
| C27 | O26 | sing | 1.36Å | 1.40Å | |
| O26 | C25 | sing | 1.43Å | 1.45Å | |
| C21 | O22 | sing | 1.43Å | 1.45Å | |
| C40 | C39 | sing | 1.39Å | 1.38Å | Aromatic |
| C40 | C47 | sing | 1.51Å | 1.51Å | |
| C39 | F48 | sing | 1.35Å | 1.34Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| O22 | C23 | sing | 1.43Å | 1.44Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C41 | H7 | sing | 1.08Å | 1.08Å | |
| C44 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C36 | H17 | sing | 1.09Å | 1.10Å | |
| C36 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C47 | H31 | sing | 1.09Å | 1.10Å | |
| C47 | H32 | sing | 1.09Å | 1.10Å | |
| C47 | H33 | sing | 1.09Å | 1.10Å | |
| C11 | H34 | sing | 1.09Å | 1.10Å | |
| C11 | H35 | sing | 1.09Å | 1.10Å | |
| N33 | H37 | sing | 1.01Å | 1.00Å | |
| N45 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C44 | N46 | N45 | 109.9° | 109.7° |
| N46 | C44 | C42 | 107.9° | 108.6° |
| N46 | C44 | H8 | 126.0° | 125.7° |
| N46 | N45 | C43 | 109.0° | 108.1° |
| N46 | N45 | H36 | 125.5° | 125.9° |
| C44 | C42 | C43 | 105.8° | 107.0° |
| C44 | C42 | C4 | 132.4° | 133.5° |
| C42 | C44 | H8 | 126.1° | 125.7° |
| N45 | C43 | C42 | 107.3° | 106.6° |
| N45 | C43 | C41 | 129.3° | 133.6° |
| C43 | N45 | H36 | 125.5° | 126.0° |
| C32 | N33 | C35 | 108.2° | 106.0° |
| N33 | C32 | C37 | 99.1° | 105.0° |
| N33 | C32 | H19 | 112.0° | 110.4° |
| N33 | C32 | H20 | 112.0° | 110.4° |
| C32 | N33 | H37 | 109.8° | 111.0° |
| N33 | C35 | C31 | 118.8° | 104.1° |
| N33 | C35 | C36 | 97.5° | 101.0° |
| N33 | C35 | H29 | 114.2° | 116.7° |
| C35 | N33 | H37 | 109.8° | 111.0° |
| C43 | C42 | C4 | 121.7° | 119.6° |
| C42 | C43 | C41 | 123.4° | 119.8° |
| C42 | C4 | C14 | 124.2° | 120.2° |
| C42 | C4 | C40 | 115.2° | 119.5° |
| C10 | C11 | O12 | 107.4° | 109.5° |
| C11 | C10 | C9 | 120.0° | 120.0° |
| C11 | C10 | C5 | 117.2° | 120.0° |
| C10 | C11 | H34 | 110.0° | 109.5° |
| C10 | C11 | H35 | 110.0° | 109.4° |
| C11 | O12 | C13 | 110.5° | 117.0° |
| O12 | C11 | H34 | 110.0° | 109.5° |
| O12 | C11 | H35 | 110.0° | 109.4° |
| C43 | C41 | C39 | 114.3° | 120.1° |
| C43 | C41 | H7 | 122.9° | 120.0° |
| C3 | C2 | C1 | 60.5° | 60.0° |
| C2 | C3 | C15 | 122.9° | 117.5° |
| C2 | C3 | C1 | 58.8° | 60.0° |
| C3 | C2 | H11 | 119.9° | 117.5° |
| C3 | C2 | H12 | 119.9° | 117.6° |
| C2 | C3 | H27 | 114.9° | 117.5° |
| C2 | C1 | C3 | 60.6° | 60.0° |
| C2 | C1 | H9 | 119.9° | 117.5° |
| C2 | C1 | H10 | 119.9° | 117.5° |
| C1 | C2 | H11 | 119.9° | 117.5° |
| C1 | C2 | H12 | 119.9° | 117.5° |
| C10 | C9 | C8 | 118.3° | 120.0° |
| C9 | C10 | C5 | 122.8° | 120.0° |
| C10 | C9 | H5 | 120.9° | 120.0° |
| C9 | C8 | C7 | 118.6° | 119.9° |
| C9 | C8 | H3 | 120.7° | 120.1° |
| C8 | C9 | H5 | 120.8° | 120.0° |
| C32 | C37 | N30 | 112.1° | 104.2° |
| C32 | C37 | C36 | 103.7° | 99.7° |
| C37 | C32 | H19 | 112.0° | 110.3° |
| C37 | C32 | H20 | 112.0° | 110.4° |
| C32 | C37 | H28 | 113.2° | 116.2° |
| C31 | C35 | C36 | 97.0° | 99.7° |
| C35 | C31 | N30 | 100.8° | 105.1° |
| C35 | C31 | H21 | 111.6° | 110.4° |
| C35 | C31 | H22 | 111.6° | 110.4° |
| C31 | C35 | H29 | 113.1° | 116.2° |
| C35 | C36 | C37 | 90.7° | 94.4° |
| C35 | C36 | H17 | 113.9° | 112.3° |
| C35 | C36 | H18 | 113.9° | 112.4° |
| C36 | C35 | H29 | 113.7° | 116.6° |
| C10 | C5 | C6 | 119.6° | 120.0° |
| C10 | C5 | H4 | 120.2° | 119.9° |
| C8 | C7 | C6 | 122.2° | 120.1° |
| C8 | C7 | H1 | 118.9° | 120.0° |
| C7 | C8 | H3 | 120.7° | 120.0° |
| C31 | N30 | C29 | 129.9° | 111.0° |
| C31 | N30 | C37 | 105.7° | 106.0° |
| N30 | C31 | H21 | 111.6° | 110.4° |
| N30 | C31 | H22 | 111.6° | 110.3° |
| C15 | C3 | C1 | 117.6° | 117.5° |
| C3 | C15 | C16 | 120.2° | 119.6° |
| C3 | C15 | C14 | 121.5° | 119.6° |
| C15 | C3 | H27 | 115.5° | 115.6° |
| C3 | C1 | H9 | 119.9° | 117.5° |
| C3 | C1 | H10 | 119.9° | 117.5° |
| C1 | C3 | H27 | 114.9° | 117.5° |
| C5 | C6 | C7 | 118.4° | 120.0° |
| C5 | C6 | H2 | 120.8° | 120.0° |
| C6 | C5 | H4 | 120.2° | 120.0° |
| C6 | C7 | H1 | 118.9° | 120.0° |
| C7 | C6 | H2 | 120.8° | 120.0° |
| C16 | C15 | C14 | 118.3° | 120.8° |
| C15 | C16 | C17 | 123.7° | 119.9° |
| C15 | C16 | H6 | 118.1° | 120.1° |
| C15 | C14 | C4 | 120.9° | 119.7° |
| C15 | C14 | C13 | 118.1° | 120.5° |
| C16 | C17 | C18 | 117.2° | 120.0° |
| C16 | C17 | C29 | 125.2° | 121.7° |
| C17 | C16 | H6 | 118.1° | 120.0° |
| C4 | C14 | C13 | 120.8° | 119.8° |
| C14 | C4 | C40 | 120.5° | 120.3° |
| C14 | C13 | C18 | 123.9° | 119.3° |
| C14 | C13 | O12 | 118.5° | 120.4° |
| C4 | C40 | C39 | 121.1° | 120.4° |
| C4 | C40 | C47 | 123.6° | 119.8° |
| C18 | C17 | C29 | 117.1° | 118.2° |
| C17 | C18 | C13 | 118.6° | 119.4° |
| C17 | C18 | N19 | 121.9° | 118.8° |
| C17 | C29 | N30 | 125.6° | 120.9° |
| C17 | C29 | N28 | 122.1° | 118.3° |
| C29 | N30 | C37 | 123.0° | 111.0° |
| N30 | C29 | N28 | 112.3° | 120.8° |
| N30 | C37 | C36 | 100.1° | 101.0° |
| N30 | C37 | H28 | 113.9° | 116.7° |
| C18 | C13 | O12 | 117.6° | 120.4° |
| C13 | C18 | N19 | 119.5° | 121.8° |
| C41 | C39 | C40 | 124.2° | 120.7° |
| C41 | C39 | F48 | 115.2° | 119.6° |
| C39 | C41 | H7 | 122.8° | 119.9° |
| C18 | N19 | C27 | 114.9° | 120.4° |
| C29 | N28 | C27 | 115.9° | 121.4° |
| C37 | C36 | H17 | 113.9° | 112.3° |
| C37 | C36 | H18 | 113.9° | 112.4° |
| C36 | C37 | H28 | 112.7° | 116.5° |
| C21 | C20 | C25 | 111.5° | 109.2° |
| C20 | C21 | O22 | 104.7° | 109.5° |
| C21 | C20 | H13 | 109.0° | 109.5° |
| C21 | C20 | H14 | 109.0° | 109.5° |
| C20 | C21 | H23 | 110.7° | 109.5° |
| C20 | C21 | H24 | 110.7° | 109.5° |
| C20 | C25 | O26 | 107.1° | 109.5° |
| C20 | C25 | C24 | 111.7° | 109.0° |
| C25 | C20 | H13 | 109.0° | 109.6° |
| C25 | C20 | H14 | 109.0° | 109.6° |
| C20 | C25 | H30 | 108.5° | 109.6° |
| N19 | C27 | N28 | 128.0° | 122.8° |
| N19 | C27 | O26 | 120.0° | 118.6° |
| N28 | C27 | O26 | 112.0° | 118.6° |
| C27 | O26 | C25 | 116.2° | 117.0° |
| O26 | C25 | C24 | 111.8° | 109.5° |
| O26 | C25 | H30 | 109.5° | 109.6° |
| C21 | O22 | C23 | 116.9° | 114.1° |
| O22 | C21 | H23 | 110.6° | 109.5° |
| O22 | C21 | H24 | 110.6° | 109.5° |
| C39 | C40 | C47 | 115.2° | 119.8° |
| C40 | C39 | F48 | 120.5° | 119.6° |
| C40 | C47 | H31 | 109.5° | 109.5° |
| C40 | C47 | H32 | 109.5° | 109.5° |
| C40 | C47 | H33 | 109.4° | 109.5° |
| C25 | C24 | C23 | 113.7° | 109.2° |
| C25 | C24 | H15 | 108.4° | 109.5° |
| C25 | C24 | H16 | 108.4° | 109.5° |
| C24 | C25 | H30 | 108.2° | 109.5° |
| O22 | C23 | C24 | 112.8° | 109.4° |
| O22 | C23 | H25 | 108.6° | 109.4° |
| O22 | C23 | H26 | 108.7° | 109.5° |
| C23 | C24 | H15 | 108.4° | 109.6° |
| C23 | C24 | H16 | 108.4° | 109.5° |
| C24 | C23 | H25 | 108.6° | 109.5° |
| C24 | C23 | H26 | 108.6° | 109.5° |
| H9 | C1 | H10 | 109.4° | 115.6° |
| H11 | C2 | H12 | 109.5° | 115.5° |
| H13 | C20 | H14 | 109.5° | 109.5° |
| H15 | C24 | H16 | 109.5° | 109.5° |
| H17 | C36 | H18 | 109.5° | 111.9° |
| H19 | C32 | H20 | 109.5° | 110.2° |
| H21 | C31 | H22 | 109.5° | 110.3° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.4° | 109.5° |
| H31 | C47 | H32 | 109.5° | 109.5° |
| H31 | C47 | H33 | 109.5° | 109.4° |
| H32 | C47 | H33 | 109.5° | 109.5° |
| H34 | C11 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N46 | C44 | C42 | H8 | 180.0° | 179.9° |
| C44 | N46 | N45 | C43 | 0.9° | 0.0° |
| N46 | C44 | C42 | C43 | 1.0° | 0.0° |
| N46 | C44 | C42 | C4 | 179.2° | 180.0° |
| C44 | N46 | N45 | H36 | 179.1° | 180.0° |
| N45 | N46 | C44 | C42 | 1.2° | 0.0° |
| N46 | N45 | C43 | H36 | 180.0° | 179.9° |
| N46 | N45 | C43 | C42 | 0.2° | 0.0° |
| N46 | N45 | C43 | C41 | 179.1° | 180.0° |
| N45 | N46 | C44 | H8 | 178.8° | 180.0° |
| C44 | C42 | C43 | N45 | 0.4° | 0.0° |
| C44 | C42 | C43 | C4 | 179.9° | 180.0° |
| C44 | C42 | C43 | C41 | 179.8° | 180.0° |
| C44 | C42 | C4 | C14 | 3.8° | 0.1° |
| C44 | C42 | C4 | C40 | 179.4° | 179.7° |
| N45 | C43 | C42 | C41 | 179.4° | 180.0° |
| N45 | C43 | C42 | C4 | 179.7° | 180.0° |
| N45 | C43 | C41 | C39 | 178.9° | 180.0° |
| N45 | C43 | C41 | H7 | 1.1° | 0.2° |
| C32 | N33 | C35 | H37 | 119.8° | 120.6° |
| N33 | C32 | C37 | H19 | 118.3° | 118.9° |
| N33 | C32 | C37 | H20 | 118.3° | 119.0° |
| C32 | N33 | C35 | C31 | 58.2° | 66.9° |
| C32 | N33 | C35 | C36 | 44.1° | 36.1° |
| N33 | C32 | C37 | N30 | 75.5° | 71.2° |
| N33 | C32 | C37 | C36 | 31.6° | 32.9° |
| N33 | C32 | H19 | H20 | 124.9° | 122.3° |
| N33 | C32 | C37 | H28 | 154.1° | 158.9° |
| C32 | N33 | C35 | H29 | 164.3° | 163.5° |
| C35 | N33 | C32 | C37 | 7.4° | 1.9° |
| N33 | C35 | C31 | C36 | 102.6° | 104.0° |
| N33 | C35 | C31 | H29 | 137.9° | 129.8° |
| N33 | C35 | C36 | H29 | 120.6° | 127.5° |
| N33 | C35 | C31 | N30 | 57.2° | 71.2° |
| N33 | C35 | C36 | C37 | 57.9° | 54.5° |
| N33 | C35 | C36 | H17 | 174.6° | 61.8° |
| N33 | C35 | C36 | H18 | 58.8° | 170.9° |
| C35 | N33 | C32 | H19 | 125.6° | 117.0° |
| C35 | N33 | C32 | H20 | 110.9° | 120.8° |
| N33 | C35 | C31 | H21 | 61.4° | 47.7° |
| N33 | C35 | C31 | H22 | 175.8° | 169.9° |
| C43 | C42 | C4 | C14 | 176.4° | 179.9° |
| C43 | C42 | C4 | C40 | 0.4° | 0.2° |
| C42 | C43 | C41 | C39 | 1.8° | 0.0° |
| C42 | C43 | C41 | H7 | 178.2° | 179.7° |
| C43 | C42 | C44 | H8 | 179.0° | 179.9° |
| C42 | C43 | N45 | H36 | 179.7° | 180.0° |
| C4 | C42 | C43 | C41 | 0.3° | 0.0° |
| C42 | C4 | C14 | C15 | 104.1° | 85.7° |
| C42 | C4 | C14 | C40 | 176.7° | 179.8° |
| C42 | C4 | C14 | C13 | 81.8° | 95.0° |
| C42 | C4 | C40 | C39 | 0.5° | 0.5° |
| C42 | C4 | C40 | C47 | 179.8° | 180.0° |
| C4 | C42 | C44 | H8 | 0.8° | 0.0° |
| C10 | C11 | O12 | H34 | 119.7° | 120.0° |
| C10 | C11 | O12 | H35 | 119.7° | 120.0° |
| C11 | C10 | C9 | C5 | 179.3° | 179.0° |
| C11 | C10 | C9 | C8 | 178.7° | 180.0° |
| C11 | C10 | C5 | C6 | 179.8° | 179.7° |
| C10 | C11 | O12 | C13 | 177.7° | 175.5° |
| C11 | C10 | C5 | H4 | 0.1° | 0.3° |
| C11 | C10 | C9 | H5 | 1.3° | 1.0° |
| C10 | C11 | H34 | H35 | 121.0° | 120.0° |
| O12 | C11 | C10 | C9 | 126.2° | 95.2° |
| O12 | C11 | C10 | C5 | 54.5° | 85.8° |
| C11 | O12 | C13 | C14 | 106.9° | 96.5° |
| C11 | O12 | C13 | C18 | 75.7° | 82.8° |
| O12 | C11 | H34 | H35 | 121.0° | 120.0° |
| C43 | C41 | C39 | H7 | 180.0° | 179.7° |
| C43 | C41 | C39 | C40 | 2.8° | 0.3° |
| C43 | C41 | C39 | F48 | 178.9° | 179.7° |
| C41 | C43 | N45 | H36 | 0.9° | 0.1° |
| C3 | C2 | C1 | H11 | 109.6° | 107.5° |
| C3 | C2 | C1 | H12 | 109.6° | 107.5° |
| C2 | C3 | C15 | C1 | 69.1° | 68.6° |
| C2 | C3 | C15 | H27 | 149.9° | 145.7° |
| C2 | C3 | C1 | H27 | 105.2° | 107.4° |
| C2 | C3 | C15 | C16 | 19.4° | 60.0° |
| C2 | C3 | C15 | C14 | 159.0° | 120.0° |
| C3 | C2 | C1 | H9 | 109.6° | 107.5° |
| C3 | C2 | C1 | H10 | 109.7° | 107.5° |
| C3 | C2 | H11 | H12 | 144.5° | 145.7° |
| C2 | C1 | H9 | H10 | 144.4° | 145.7° |
| C1 | C2 | H11 | H12 | 144.4° | 145.7° |
| C10 | C9 | C8 | H5 | 180.0° | 179.1° |
| C10 | C9 | C8 | C7 | 1.2° | 0.6° |
| C9 | C10 | C5 | C6 | 0.5° | 0.6° |
| C10 | C9 | C8 | H3 | 178.8° | 179.4° |
| C9 | C10 | C5 | H4 | 179.4° | 179.4° |
| C9 | C10 | C11 | H34 | 114.2° | 144.7° |
| C9 | C10 | C11 | H35 | 6.5° | 24.8° |
| C8 | C9 | C10 | C5 | 0.6° | 0.9° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.6° | 0.0° |
| C9 | C8 | C7 | H1 | 179.4° | 179.8° |
| C32 | C37 | C36 | C35 | 56.9° | 52.1° |
| C32 | C37 | N30 | C31 | 77.0° | 66.9° |
| C32 | C37 | N30 | C29 | 90.4° | 53.7° |
| C32 | C37 | N30 | C36 | 109.4° | 103.0° |
| C32 | C37 | N30 | H28 | 130.1° | 129.6° |
| C32 | C37 | C36 | H28 | 122.8° | 125.9° |
| C32 | C37 | C36 | H17 | 173.6° | 64.2° |
| C32 | C37 | C36 | H18 | 59.8° | 168.5° |
| C37 | C32 | H19 | H20 | 124.8° | 122.1° |
| C37 | C32 | N33 | H37 | 127.2° | 122.5° |
| C31 | C35 | C36 | H29 | 119.0° | 125.9° |
| C35 | C31 | N30 | H21 | 118.6° | 119.0° |
| C35 | C31 | N30 | H22 | 118.6° | 119.0° |
| C35 | C31 | N30 | C29 | 158.8° | 122.5° |
| C35 | C31 | N30 | C37 | 7.4° | 1.9° |
| C31 | C35 | C36 | C37 | 62.4° | 52.1° |
| C31 | C35 | C36 | H17 | 54.2° | 168.4° |
| C31 | C35 | C36 | H18 | 179.1° | 64.3° |
| C35 | C31 | H21 | H22 | 124.0° | 122.2° |
| C31 | C35 | N33 | H37 | 61.6° | 53.7° |
| C36 | C35 | C31 | N30 | 45.4° | 32.8° |
| C35 | C36 | C37 | N30 | 58.9° | 54.5° |
| C35 | C36 | C37 | H17 | 116.7° | 116.3° |
| C35 | C36 | C37 | H18 | 116.7° | 116.4° |
| C35 | C36 | H17 | H18 | 128.9° | 127.5° |
| C36 | C35 | C31 | H21 | 164.0° | 151.8° |
| C36 | C35 | C31 | H22 | 73.2° | 86.1° |
| C35 | C36 | C37 | H28 | 179.7° | 178.0° |
| C36 | C35 | N33 | H37 | 163.9° | 156.7° |
| C10 | C5 | C6 | H4 | 180.0° | 180.0° |
| C10 | C5 | C6 | C7 | 1.1° | 0.0° |
| C10 | C5 | C6 | H2 | 178.9° | 180.0° |
| C5 | C10 | C9 | H5 | 179.4° | 180.0° |
| C5 | C10 | C11 | H34 | 65.2° | 34.3° |
| C5 | C10 | C11 | H35 | 174.2° | 154.3° |
| C8 | C7 | C6 | C5 | 0.5° | 0.3° |
| C8 | C7 | C6 | H1 | 180.0° | 179.8° |
| C8 | C7 | C6 | H2 | 179.5° | 179.7° |
| C7 | C8 | C9 | H5 | 178.8° | 179.7° |
| C31 | N30 | C29 | C17 | 17.9° | 166.3° |
| C31 | N30 | C29 | C37 | 164.2° | 117.6° |
| C31 | N30 | C29 | N28 | 160.7° | 13.8° |
| C31 | N30 | C37 | C36 | 32.4° | 36.1° |
| N30 | C31 | H21 | H22 | 124.1° | 122.1° |
| C31 | N30 | C37 | H28 | 152.9° | 163.4° |
| N30 | C31 | C35 | H29 | 164.9° | 158.9° |
| C15 | C3 | C1 | H27 | 141.2° | 145.1° |
| C3 | C15 | C16 | C14 | 178.4° | 180.0° |
| C3 | C15 | C16 | C17 | 179.4° | 180.0° |
| C3 | C15 | C14 | C4 | 5.7° | 0.3° |
| C3 | C15 | C14 | C13 | 180.0° | 179.5° |
| C3 | C15 | C16 | H6 | 0.6° | 0.3° |
| C15 | C3 | C1 | H9 | 136.8° | 145.0° |
| C15 | C3 | C1 | H10 | 3.9° | 0.1° |
| C15 | C3 | C2 | H11 | 145.7° | 0.0° |
| C15 | C3 | C2 | H12 | 4.9° | 145.0° |
| C1 | C3 | C15 | C16 | 49.7° | 8.5° |
| C1 | C3 | C15 | C14 | 131.9° | 171.4° |
| C3 | C1 | H9 | H10 | 144.4° | 145.6° |
| C5 | C6 | C7 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | H1 | 179.5° | 179.9° |
| C6 | C7 | C8 | H3 | 179.4° | 180.0° |
| C7 | C6 | C5 | H4 | 178.9° | 180.0° |
| C15 | C16 | C17 | H6 | 180.0° | 179.7° |
| C16 | C15 | C14 | C4 | 175.9° | 179.7° |
| C16 | C15 | C14 | C13 | 1.6° | 0.5° |
| C15 | C16 | C17 | C18 | 0.4° | 0.2° |
| C15 | C16 | C17 | C29 | 172.0° | 179.8° |
| C16 | C15 | C3 | H27 | 169.3° | 154.3° |
| C14 | C15 | C16 | C17 | 2.2° | 0.0° |
| C15 | C14 | C4 | C13 | 174.1° | 179.2° |
| C15 | C14 | C4 | C40 | 72.6° | 94.1° |
| C15 | C14 | C13 | C18 | 1.6° | 0.7° |
| C15 | C14 | C13 | O12 | 178.7° | 180.0° |
| C14 | C15 | C16 | H6 | 177.8° | 179.7° |
| C14 | C15 | C3 | H27 | 9.1° | 25.7° |
| C16 | C17 | C18 | C29 | 172.2° | 180.0° |
| C16 | C17 | C29 | N30 | 10.3° | 0.0° |
| C16 | C17 | C18 | C13 | 3.5° | 0.0° |
| C16 | C17 | C18 | N19 | 174.8° | 180.0° |
| C16 | C17 | C29 | N28 | 171.2° | 180.0° |
| C4 | C14 | C13 | C18 | 172.7° | 180.0° |
| C4 | C14 | C13 | O12 | 4.5° | 0.8° |
| C14 | C4 | C40 | C39 | 177.4° | 179.7° |
| C14 | C4 | C40 | C47 | 3.2° | 0.2° |
| C13 | C14 | C4 | C40 | 101.5° | 85.1° |
| C14 | C13 | C18 | C17 | 4.2° | 0.5° |
| C14 | C13 | C18 | O12 | 177.2° | 179.2° |
| C14 | C13 | C18 | N19 | 174.1° | 179.5° |
| C4 | C40 | C39 | C41 | 2.2° | 0.5° |
| C4 | C40 | C39 | C47 | 179.4° | 179.5° |
| C4 | C40 | C39 | F48 | 178.2° | 179.5° |
| C4 | C40 | C47 | H31 | 89.6° | 93.6° |
| C4 | C40 | C47 | H32 | 150.4° | 146.4° |
| C4 | C40 | C47 | H33 | 30.4° | 26.4° |
| C18 | C17 | C29 | N30 | 178.1° | 180.0° |
| C17 | C18 | C13 | N19 | 178.3° | 180.0° |
| C17 | C18 | C13 | O12 | 178.6° | 179.7° |
| C18 | C17 | C29 | N28 | 0.3° | 0.0° |
| C17 | C18 | N19 | C27 | 3.1° | 0.0° |
| C18 | C17 | C16 | H6 | 179.6° | 179.9° |
| C17 | C29 | N30 | N28 | 178.6° | 180.0° |
| C17 | C29 | N30 | C37 | 177.9° | 76.2° |
| C29 | C17 | C18 | C13 | 175.7° | 180.0° |
| C29 | C17 | C18 | N19 | 2.6° | 0.0° |
| C17 | C29 | N28 | C27 | 2.4° | 0.0° |
| C29 | C17 | C16 | H6 | 8.1° | 0.0° |
| C29 | N30 | C37 | C36 | 160.2° | 156.7° |
| N30 | C29 | N28 | C27 | 176.3° | 180.0° |
| C29 | N30 | C31 | H21 | 40.2° | 3.6° |
| C29 | N30 | C31 | H22 | 82.6° | 118.5° |
| C29 | N30 | C37 | H28 | 39.7° | 76.0° |
| C37 | N30 | C29 | N28 | 3.4° | 103.8° |
| N30 | C37 | C36 | H28 | 121.3° | 127.5° |
| N30 | C37 | C36 | H17 | 57.7° | 170.8° |
| N30 | C37 | C36 | H18 | 175.6° | 61.9° |
| N30 | C37 | C32 | H19 | 166.2° | 47.7° |
| N30 | C37 | C32 | H20 | 42.8° | 169.8° |
| C37 | N30 | C31 | H21 | 126.0° | 117.0° |
| C37 | N30 | C31 | H22 | 111.1° | 120.9° |
| C13 | C18 | N19 | C27 | 175.2° | 180.0° |
| O12 | C13 | C18 | N19 | 3.1° | 0.3° |
| C13 | O12 | C11 | H34 | 62.6° | 64.4° |
| C13 | O12 | C11 | H35 | 58.1° | 55.6° |
| C41 | C39 | C40 | F48 | 175.9° | 180.0° |
| C41 | C39 | C40 | C47 | 178.3° | 180.0° |
| C18 | N19 | C27 | N28 | 0.9° | 0.0° |
| C18 | N19 | C27 | O26 | 179.6° | 180.0° |
| C29 | N28 | C27 | N19 | 1.8° | 0.0° |
| C29 | N28 | C27 | O26 | 177.7° | 180.0° |
| C37 | C36 | H17 | H18 | 128.9° | 127.5° |
| C36 | C37 | C32 | H19 | 86.7° | 151.8° |
| C36 | C37 | C32 | H20 | 149.9° | 86.2° |
| C37 | C36 | C35 | H29 | 178.5° | 178.0° |
| C21 | C20 | C25 | H13 | 120.3° | 119.9° |
| C21 | C20 | C25 | H14 | 120.3° | 119.9° |
| C21 | C20 | C25 | O26 | 176.2° | 176.8° |
| C20 | C21 | O22 | H23 | 119.3° | 120.0° |
| C20 | C21 | O22 | H24 | 119.3° | 120.0° |
| C21 | C20 | C25 | C24 | 53.5° | 57.0° |
| C20 | C21 | O22 | C23 | 63.0° | 61.2° |
| C21 | C20 | H13 | H14 | 119.1° | 120.1° |
| C20 | C21 | H23 | H24 | 122.2° | 120.0° |
| C21 | C20 | C25 | H30 | 65.7° | 62.9° |
| C20 | C25 | O26 | C27 | 105.6° | 150.7° |
| C20 | C25 | O26 | C24 | 122.6° | 119.5° |
| C20 | C25 | O26 | H30 | 117.5° | 120.3° |
| C25 | C20 | C21 | O22 | 61.2° | 57.6° |
| C20 | C25 | C24 | H30 | 119.3° | 119.9° |
| C20 | C25 | C24 | C23 | 42.0° | 57.0° |
| C25 | C20 | H13 | H14 | 119.1° | 120.2° |
| C20 | C25 | C24 | H15 | 162.6° | 63.0° |
| C20 | C25 | C24 | H16 | 78.7° | 176.9° |
| C25 | C20 | C21 | H23 | 179.6° | 177.6° |
| C25 | C20 | C21 | H24 | 58.1° | 62.4° |
| N19 | C27 | N28 | O26 | 179.5° | 180.0° |
| N19 | C27 | O26 | C25 | 21.1° | 5.0° |
| N28 | C27 | O26 | C25 | 159.4° | 175.0° |
| C27 | O26 | C25 | C24 | 131.8° | 89.8° |
| C27 | O26 | C25 | H30 | 11.9° | 30.4° |
| O26 | C25 | C24 | H30 | 120.6° | 120.3° |
| O26 | C25 | C24 | C23 | 162.0° | 176.8° |
| O26 | C25 | C20 | H13 | 63.5° | 63.3° |
| O26 | C25 | C20 | H14 | 55.9° | 56.9° |
| O26 | C25 | C24 | H15 | 77.4° | 56.8° |
| O26 | C25 | C24 | H16 | 41.3° | 63.3° |
| C21 | O22 | C23 | C24 | 54.3° | 61.2° |
| O22 | C21 | C20 | H13 | 178.5° | 177.6° |
| O22 | C21 | C20 | H14 | 59.1° | 62.3° |
| O22 | C21 | H23 | H24 | 122.2° | 120.0° |
| C21 | O22 | C23 | H25 | 174.8° | 58.8° |
| C21 | O22 | C23 | H26 | 66.2° | 178.8° |
| C40 | C39 | C41 | H7 | 177.2° | 180.0° |
| C39 | C40 | C47 | H31 | 89.8° | 85.9° |
| C39 | C40 | C47 | H32 | 30.2° | 34.1° |
| C39 | C40 | C47 | H33 | 150.2° | 154.1° |
| C47 | C40 | C39 | F48 | 2.4° | 0.0° |
| C40 | C47 | H31 | H32 | 120.0° | 120.0° |
| C40 | C47 | H31 | H33 | 120.0° | 120.0° |
| C40 | C47 | H32 | H33 | 120.0° | 120.0° |
| F48 | C39 | C41 | H7 | 1.1° | 0.0° |
| C25 | C24 | C23 | O22 | 40.6° | 57.6° |
| C25 | C24 | C23 | H15 | 120.6° | 120.0° |
| C25 | C24 | C23 | H16 | 120.6° | 119.9° |
| C24 | C25 | C20 | H13 | 173.8° | 176.9° |
| C24 | C25 | C20 | H14 | 66.8° | 62.9° |
| C25 | C24 | H15 | H16 | 118.1° | 120.1° |
| C25 | C24 | C23 | H25 | 161.1° | 62.3° |
| C25 | C24 | C23 | H26 | 80.0° | 177.6° |
| O22 | C23 | C24 | H25 | 120.5° | 119.9° |
| O22 | C23 | C24 | H26 | 120.5° | 120.0° |
| O22 | C23 | C24 | H15 | 161.2° | 62.3° |
| O22 | C23 | C24 | H16 | 80.0° | 177.5° |
| C23 | O22 | C21 | H23 | 177.8° | 178.8° |
| C23 | O22 | C21 | H24 | 56.3° | 58.9° |
| O22 | C23 | H25 | H26 | 118.5° | 120.0° |
| C23 | C24 | H15 | H16 | 118.1° | 120.1° |
| C24 | C23 | H25 | H26 | 118.4° | 120.1° |
| C23 | C24 | C25 | H30 | 77.4° | 62.9° |
| H1 | C7 | C6 | H2 | 0.5° | 0.1° |
| H1 | C7 | C8 | H3 | 0.6° | 0.2° |
| H2 | C6 | C5 | H4 | 1.1° | 0.0° |
| H3 | C8 | C9 | H5 | 1.2° | 0.3° |
| H9 | C1 | C2 | H11 | 0.0° | 145.0° |
| H9 | C1 | C2 | H12 | 140.8° | 0.1° |
| H9 | C1 | C3 | H27 | 4.5° | 0.1° |
| H10 | C1 | C2 | H11 | 140.7° | 0.0° |
| H10 | C1 | C2 | H12 | 0.1° | 145.0° |
| H10 | C1 | C3 | H27 | 145.2° | 145.0° |
| H11 | C2 | C3 | H27 | 4.4° | 145.0° |
| H12 | C2 | C3 | H27 | 145.2° | 0.0° |
| H13 | C20 | C21 | H23 | 59.3° | 62.4° |
| H13 | C20 | C21 | H24 | 62.2° | 57.6° |
| H13 | C20 | C25 | H30 | 54.6° | 57.0° |
| H14 | C20 | C21 | H23 | 60.1° | 57.7° |
| H14 | C20 | C21 | H24 | 178.4° | 177.7° |
| H14 | C20 | C25 | H30 | 174.0° | 177.2° |
| H15 | C24 | C23 | H25 | 78.3° | 177.7° |
| H15 | C24 | C23 | H26 | 40.7° | 57.7° |
| H15 | C24 | C25 | H30 | 43.3° | 177.2° |
| H16 | C24 | C23 | H25 | 40.5° | 57.6° |
| H16 | C24 | C23 | H26 | 159.4° | 62.5° |
| H16 | C24 | C25 | H30 | 162.0° | 57.0° |
| H17 | C36 | C37 | H28 | 63.6° | 61.7° |
| H17 | C36 | C35 | H29 | 64.8° | 65.7° |
| H18 | C36 | C37 | H28 | 63.0° | 65.6° |
| H18 | C36 | C35 | H29 | 61.8° | 61.6° |
| H19 | C32 | C37 | H28 | 35.7° | 82.2° |
| H19 | C32 | N33 | H37 | 114.6° | 3.6° |
| H20 | C32 | C37 | H28 | 87.7° | 39.8° |
| H20 | C32 | N33 | H37 | 8.9° | 118.5° |
| H21 | C31 | C35 | H29 | 76.5° | 82.1° |
| H22 | C31 | C35 | H29 | 46.3° | 40.0° |
| H29 | C35 | N33 | H37 | 75.9° | 75.9° |
| H31 | C47 | H32 | H33 | 120.0° | 120.0° |
