A1LY1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | N39 | sing | 1.46Å | 1.47Å | |
| N39 | C38 | sing | 1.35Å | 1.36Å | |
| O41 | C38 | doub | 1.22Å | 1.22Å | |
| C38 | N35 | sing | 1.35Å | 1.36Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | O30 | sing | 1.43Å | 1.43Å | |
| N35 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| N35 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | O33 | sing | 1.43Å | 1.43Å | |
| C28 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.40Å | 1.42Å | Aromatic |
| C36 | C37 | doub | 1.34Å | 1.34Å | Aromatic |
| O30 | C29 | sing | 1.36Å | 1.36Å | |
| C29 | C24 | doub | 1.40Å | 1.41Å | Aromatic |
| O33 | C34 | sing | 1.43Å | 1.43Å | |
| C26 | C37 | sing | 1.47Å | 1.46Å | Aromatic |
| C26 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | O23 | sing | 1.36Å | 1.36Å | |
| O23 | C19 | sing | 1.36Å | 1.38Å | |
| C19 | C20 | doub | 1.39Å | 1.42Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C21 | N22 | doub | 1.32Å | 1.33Å | Aromatic |
| C17 | N22 | sing | 1.33Å | 1.34Å | Aromatic |
| C17 | N16 | sing | 1.39Å | 1.42Å | |
| O15 | C14 | doub | 1.22Å | 1.22Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C14 | N16 | sing | 1.35Å | 1.37Å | |
| C14 | C13 | sing | 1.48Å | 1.49Å | |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C42 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | C7 | sing | 1.51Å | 1.51Å | |
| C10 | C43 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C9 | N4 | sing | 1.47Å | 1.48Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| N4 | C5 | sing | 1.47Å | 1.48Å | |
| N4 | C3 | sing | 1.47Å | 1.47Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | O1 | sing | 1.43Å | 1.43Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.08Å | 1.08Å | |
| C37 | H24 | sing | 1.08Å | 1.08Å | |
| C40 | H25 | sing | 1.09Å | 1.10Å | |
| C40 | H26 | sing | 1.09Å | 1.10Å | |
| C40 | H27 | sing | 1.09Å | 1.10Å | |
| O1 | H28 | sing | 0.97Å | 0.95Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| C9 | H31 | sing | 1.09Å | 1.10Å | |
| N16 | H32 | sing | 0.97Å | 1.00Å | |
| C20 | H33 | sing | 1.08Å | 1.08Å | |
| C25 | H34 | sing | 1.08Å | 1.08Å | |
| C28 | H35 | sing | 1.08Å | 1.08Å | |
| N39 | H36 | sing | 0.97Å | 1.00Å | |
| C42 | H37 | sing | 1.08Å | 1.08Å | |
| C43 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | N39 | C38 | 122.7° | 120.1° |
| N39 | C40 | H25 | 109.5° | 109.6° |
| N39 | C40 | H26 | 109.4° | 109.5° |
| N39 | C40 | H27 | 109.5° | 109.5° |
| C40 | N39 | H36 | 118.7° | 120.0° |
| N39 | C38 | O41 | 119.2° | 120.0° |
| N39 | C38 | N35 | 121.6° | 120.0° |
| C38 | N39 | H36 | 118.7° | 120.0° |
| O41 | C38 | N35 | 119.1° | 120.0° |
| C38 | N35 | C27 | 127.2° | 125.2° |
| C38 | N35 | C36 | 125.0° | 125.2° |
| C32 | C31 | O30 | 111.6° | 109.5° |
| C31 | C32 | O33 | 110.1° | 109.5° |
| C32 | C31 | H16 | 108.9° | 109.5° |
| C32 | C31 | H17 | 109.0° | 109.5° |
| C31 | C32 | H18 | 109.3° | 109.5° |
| C31 | C32 | H19 | 109.3° | 109.5° |
| C31 | O30 | C29 | 121.4° | 117.0° |
| O30 | C31 | H16 | 108.9° | 109.5° |
| O30 | C31 | H17 | 108.9° | 109.4° |
| C27 | N35 | C36 | 107.8° | 109.6° |
| N35 | C27 | C28 | 133.4° | 133.2° |
| N35 | C27 | C26 | 107.7° | 107.1° |
| N35 | C36 | C37 | 111.9° | 109.9° |
| N35 | C36 | H23 | 124.0° | 125.0° |
| C32 | O33 | C34 | 114.0° | 114.0° |
| O33 | C32 | H18 | 109.3° | 109.5° |
| O33 | C32 | H19 | 109.3° | 109.4° |
| C27 | C28 | C29 | 120.9° | 119.9° |
| C28 | C27 | C26 | 119.0° | 119.6° |
| C27 | C28 | H35 | 119.5° | 120.0° |
| C28 | C29 | O30 | 119.5° | 119.8° |
| C28 | C29 | C24 | 119.9° | 120.5° |
| C29 | C28 | H35 | 119.6° | 120.1° |
| C27 | C26 | C37 | 106.2° | 106.2° |
| C27 | C26 | C25 | 120.3° | 120.1° |
| C36 | C37 | C26 | 106.4° | 107.2° |
| C37 | C36 | H23 | 124.1° | 125.1° |
| C36 | C37 | H24 | 126.8° | 126.4° |
| O30 | C29 | C24 | 120.6° | 119.7° |
| C29 | C24 | C25 | 120.2° | 120.1° |
| C29 | C24 | O23 | 121.2° | 119.9° |
| O33 | C34 | H20 | 109.5° | 109.5° |
| O33 | C34 | H21 | 109.4° | 109.5° |
| O33 | C34 | H22 | 109.4° | 109.5° |
| C37 | C26 | C25 | 133.5° | 133.7° |
| C26 | C37 | H24 | 126.8° | 126.4° |
| C26 | C25 | C24 | 119.7° | 119.7° |
| C26 | C25 | H34 | 120.1° | 120.2° |
| C25 | C24 | O23 | 118.6° | 120.0° |
| C24 | C25 | H34 | 120.2° | 120.1° |
| C24 | O23 | C19 | 119.8° | 118.0° |
| O23 | C19 | C20 | 124.7° | 120.8° |
| O23 | C19 | C18 | 117.7° | 120.8° |
| C20 | C19 | C18 | 117.6° | 118.4° |
| C19 | C20 | C21 | 118.8° | 119.3° |
| C19 | C20 | H33 | 120.6° | 120.4° |
| C19 | C18 | C17 | 121.0° | 119.0° |
| C19 | C18 | H14 | 119.5° | 120.5° |
| C20 | C21 | N22 | 121.5° | 120.9° |
| C20 | C21 | H15 | 119.2° | 119.6° |
| C21 | C20 | H33 | 120.6° | 120.3° |
| C18 | C17 | N22 | 117.8° | 120.7° |
| C18 | C17 | N16 | 127.3° | 119.7° |
| C17 | C18 | H14 | 119.5° | 120.5° |
| C21 | N22 | C17 | 123.3° | 121.8° |
| N22 | C21 | H15 | 119.2° | 119.5° |
| N22 | C17 | N16 | 114.9° | 119.6° |
| C17 | N16 | C14 | 129.1° | 120.0° |
| C17 | N16 | H32 | 115.5° | 120.0° |
| O15 | C14 | N16 | 123.4° | 120.0° |
| O15 | C14 | C13 | 116.1° | 120.0° |
| C11 | C12 | C13 | 120.9° | 119.9° |
| C12 | C11 | C10 | 120.7° | 120.2° |
| C12 | C11 | H12 | 119.7° | 120.0° |
| C11 | C12 | H13 | 119.5° | 120.0° |
| C12 | C13 | C14 | 119.2° | 120.2° |
| C12 | C13 | C42 | 118.1° | 119.7° |
| C13 | C12 | H13 | 119.5° | 120.1° |
| N16 | C14 | C13 | 120.6° | 120.0° |
| C14 | N16 | H32 | 115.5° | 120.0° |
| C14 | C13 | C42 | 122.7° | 120.1° |
| C11 | C10 | C7 | 119.1° | 119.9° |
| C11 | C10 | C43 | 119.2° | 120.3° |
| C10 | C11 | H12 | 119.6° | 119.9° |
| C13 | C42 | C43 | 120.5° | 119.8° |
| C13 | C42 | H37 | 119.7° | 120.0° |
| C7 | C10 | C43 | 121.7° | 119.8° |
| C10 | C7 | C8 | 112.5° | 109.5° |
| C10 | C7 | C6 | 111.1° | 109.5° |
| C10 | C7 | H9 | 108.6° | 109.5° |
| C10 | C43 | C42 | 120.5° | 120.1° |
| C10 | C43 | H38 | 119.7° | 119.9° |
| C43 | C42 | H37 | 119.8° | 120.1° |
| C42 | C43 | H38 | 119.7° | 119.9° |
| C8 | C7 | C6 | 107.9° | 109.2° |
| C7 | C8 | C9 | 107.6° | 109.2° |
| C8 | C7 | H9 | 108.3° | 109.5° |
| C7 | C8 | H10 | 109.9° | 109.5° |
| C7 | C8 | H11 | 109.9° | 109.6° |
| C7 | C6 | C5 | 107.7° | 109.3° |
| C7 | C6 | H7 | 109.9° | 109.5° |
| C7 | C6 | H8 | 109.9° | 109.5° |
| C6 | C7 | H9 | 108.4° | 109.5° |
| C8 | C9 | N4 | 111.5° | 109.5° |
| C9 | C8 | H10 | 109.9° | 109.5° |
| C9 | C8 | H11 | 109.9° | 109.5° |
| C8 | C9 | H30 | 109.0° | 109.4° |
| C8 | C9 | H31 | 108.9° | 109.5° |
| C9 | N4 | C5 | 115.0° | 111.2° |
| C9 | N4 | C3 | 111.1° | 111.0° |
| N4 | C9 | H30 | 109.0° | 109.4° |
| N4 | C9 | H31 | 109.0° | 109.5° |
| C6 | C5 | N4 | 111.7° | 109.5° |
| C6 | C5 | H5 | 108.9° | 109.5° |
| C6 | C5 | H6 | 108.9° | 109.5° |
| C5 | C6 | H7 | 109.9° | 109.5° |
| C5 | C6 | H8 | 109.9° | 109.5° |
| C5 | N4 | C3 | 111.9° | 111.0° |
| N4 | C5 | H5 | 108.9° | 109.4° |
| N4 | C5 | H6 | 108.9° | 109.5° |
| N4 | C3 | C2 | 113.2° | 109.5° |
| N4 | C3 | H3 | 108.6° | 109.5° |
| N4 | C3 | H4 | 108.5° | 109.4° |
| C3 | C2 | O1 | 110.4° | 109.5° |
| C3 | C2 | H1 | 109.2° | 109.4° |
| C3 | C2 | H2 | 109.2° | 109.5° |
| C2 | C3 | H3 | 108.5° | 109.5° |
| C2 | C3 | H4 | 108.6° | 109.5° |
| O1 | C2 | H1 | 109.3° | 109.5° |
| O1 | C2 | H2 | 109.3° | 109.5° |
| C2 | O1 | H28 | 109.5° | 114.0° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.6° |
| H16 | C31 | H17 | 109.4° | 109.5° |
| H18 | C32 | H19 | 109.5° | 109.4° |
| H20 | C34 | H21 | 109.5° | 109.4° |
| H20 | C34 | H22 | 109.5° | 109.5° |
| H21 | C34 | H22 | 109.5° | 109.5° |
| H25 | C40 | H26 | 109.5° | 109.5° |
| H25 | C40 | H27 | 109.5° | 109.4° |
| H26 | C40 | H27 | 109.5° | 109.4° |
| H30 | C9 | H31 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | N39 | C38 | H36 | 180.0° | 180.0° |
| C40 | N39 | C38 | O41 | 1.5° | 0.0° |
| C40 | N39 | C38 | N35 | 178.1° | 180.0° |
| N39 | C40 | H25 | H26 | 120.0° | 120.1° |
| N39 | C40 | H25 | H27 | 120.0° | 120.1° |
| N39 | C40 | H26 | H27 | 120.0° | 120.0° |
| N39 | C38 | O41 | N35 | 176.6° | 180.0° |
| N39 | C38 | N35 | C27 | 145.5° | 179.9° |
| N39 | C38 | N35 | C36 | 38.7° | 0.1° |
| C38 | N39 | C40 | H25 | 180.0° | 180.0° |
| C38 | N39 | C40 | H26 | 60.0° | 60.0° |
| C38 | N39 | C40 | H27 | 60.0° | 60.0° |
| O41 | C38 | N35 | C27 | 37.9° | 0.1° |
| O41 | C38 | N35 | C36 | 137.9° | 179.9° |
| O41 | C38 | N39 | H36 | 178.5° | 180.0° |
| C38 | N35 | C27 | C36 | 176.4° | 179.9° |
| C38 | N35 | C27 | C28 | 3.0° | 0.5° |
| C38 | N35 | C27 | C26 | 177.4° | 179.9° |
| C38 | N35 | C36 | C37 | 177.8° | 179.9° |
| C38 | N35 | C36 | H23 | 2.2° | 0.1° |
| N35 | C38 | N39 | H36 | 1.9° | 0.0° |
| C32 | C31 | O30 | H16 | 120.3° | 120.0° |
| C32 | C31 | O30 | H17 | 120.4° | 120.0° |
| C31 | C32 | O33 | H18 | 120.1° | 120.1° |
| C31 | C32 | O33 | H19 | 120.1° | 120.1° |
| C32 | C31 | O30 | C29 | 66.7° | 180.0° |
| C31 | C32 | O33 | C34 | 178.6° | 180.0° |
| C32 | C31 | H16 | H17 | 119.1° | 120.0° |
| C31 | C32 | H18 | H19 | 119.7° | 120.0° |
| O30 | C31 | C32 | O33 | 49.9° | 64.9° |
| C31 | O30 | C29 | C28 | 66.8° | 0.1° |
| C31 | O30 | C29 | C24 | 113.2° | 179.4° |
| O30 | C31 | H16 | H17 | 119.0° | 120.0° |
| O30 | C31 | C32 | H18 | 170.0° | 175.0° |
| O30 | C31 | C32 | H19 | 70.2° | 55.1° |
| N35 | C27 | C28 | C26 | 179.6° | 179.4° |
| N35 | C27 | C28 | C29 | 179.5° | 179.9° |
| C27 | N35 | C36 | C37 | 1.3° | 0.1° |
| N35 | C27 | C26 | C37 | 0.3° | 0.0° |
| N35 | C27 | C26 | C25 | 179.9° | 180.0° |
| C27 | N35 | C36 | H23 | 178.7° | 180.0° |
| N35 | C27 | C28 | H35 | 0.5° | 0.6° |
| C36 | N35 | C27 | C28 | 179.4° | 179.4° |
| C36 | N35 | C27 | C26 | 1.0° | 0.0° |
| N35 | C36 | C37 | H23 | 180.0° | 180.0° |
| N35 | C36 | C37 | C26 | 1.1° | 0.0° |
| N35 | C36 | C37 | H24 | 178.9° | 180.0° |
| O33 | C32 | C31 | H16 | 170.2° | 175.0° |
| O33 | C32 | C31 | H17 | 70.5° | 55.0° |
| O33 | C32 | H18 | H19 | 119.7° | 119.9° |
| C32 | O33 | C34 | H20 | 180.0° | 59.9° |
| C32 | O33 | C34 | H21 | 60.0° | 60.0° |
| C32 | O33 | C34 | H22 | 60.0° | 180.0° |
| C27 | C28 | C29 | H35 | 180.0° | 179.2° |
| C27 | C28 | C29 | O30 | 179.9° | 180.0° |
| C27 | C28 | C29 | C24 | 0.2° | 0.5° |
| C28 | C27 | C26 | C37 | 180.0° | 179.5° |
| C28 | C27 | C26 | C25 | 0.2° | 0.5° |
| C29 | C28 | C27 | C26 | 0.1° | 0.8° |
| C28 | C29 | O30 | C24 | 179.9° | 179.5° |
| C28 | C29 | C24 | C25 | 0.0° | 0.0° |
| C28 | C29 | C24 | O23 | 177.7° | 179.7° |
| C27 | C26 | C37 | C36 | 0.4° | 0.0° |
| C27 | C26 | C37 | C25 | 179.7° | 180.0° |
| C27 | C26 | C25 | C24 | 0.4° | 0.0° |
| C27 | C26 | C37 | H24 | 179.6° | 180.0° |
| C27 | C26 | C25 | H34 | 179.6° | 180.0° |
| C26 | C27 | C28 | H35 | 180.0° | 180.0° |
| C36 | C37 | C26 | H24 | 180.0° | 180.0° |
| C36 | C37 | C26 | C25 | 179.3° | 180.0° |
| O30 | C29 | C24 | C25 | 179.9° | 179.5° |
| O30 | C29 | C24 | O23 | 2.2° | 0.2° |
| C29 | O30 | C31 | H16 | 53.6° | 60.0° |
| C29 | O30 | C31 | H17 | 172.9° | 60.1° |
| O30 | C29 | C28 | H35 | 0.1° | 0.7° |
| C29 | C24 | C25 | C26 | 0.2° | 0.3° |
| C29 | C24 | C25 | O23 | 177.8° | 179.7° |
| C29 | C24 | O23 | C19 | 72.3° | 174.7° |
| C29 | C24 | C25 | H34 | 179.8° | 179.7° |
| C24 | C29 | C28 | H35 | 179.8° | 179.7° |
| C34 | O33 | C32 | H18 | 58.5° | 59.9° |
| C34 | O33 | C32 | H19 | 61.3° | 60.0° |
| O33 | C34 | H20 | H21 | 120.0° | 120.0° |
| O33 | C34 | H20 | H22 | 120.0° | 120.0° |
| O33 | C34 | H21 | H22 | 120.0° | 120.0° |
| C37 | C26 | C25 | C24 | 179.9° | 180.0° |
| C26 | C37 | C36 | H23 | 178.9° | 180.0° |
| C37 | C26 | C25 | H34 | 0.1° | 0.0° |
| C26 | C25 | C24 | H34 | 180.0° | 180.0° |
| C26 | C25 | C24 | O23 | 178.0° | 180.0° |
| C25 | C26 | C37 | H24 | 0.7° | 0.0° |
| C25 | C24 | O23 | C19 | 105.4° | 5.5° |
| C24 | O23 | C19 | C20 | 26.2° | 111.6° |
| C24 | O23 | C19 | C18 | 152.4° | 68.4° |
| O23 | C24 | C25 | H34 | 2.0° | 0.0° |
| O23 | C19 | C20 | C18 | 178.6° | 180.0° |
| O23 | C19 | C20 | C21 | 179.3° | 179.7° |
| O23 | C19 | C18 | C17 | 179.4° | 180.0° |
| O23 | C19 | C18 | H14 | 0.6° | 0.0° |
| O23 | C19 | C20 | H33 | 0.7° | 0.0° |
| C19 | C20 | C21 | H33 | 180.0° | 179.7° |
| C20 | C19 | C18 | C17 | 0.7° | 0.1° |
| C19 | C20 | C21 | N22 | 0.5° | 0.5° |
| C20 | C19 | C18 | H14 | 179.3° | 180.0° |
| C19 | C20 | C21 | H15 | 179.5° | 180.0° |
| C18 | C19 | C20 | C21 | 0.6° | 0.3° |
| C19 | C18 | C17 | H14 | 180.0° | 180.0° |
| C19 | C18 | C17 | N22 | 0.7° | 0.0° |
| C19 | C18 | C17 | N16 | 179.3° | 179.7° |
| C18 | C19 | C20 | H33 | 179.4° | 180.0° |
| C20 | C21 | N22 | H15 | 180.0° | 179.5° |
| C20 | C21 | N22 | C17 | 0.5° | 0.5° |
| C18 | C17 | N22 | C21 | 0.6° | 0.2° |
| C18 | C17 | N22 | N16 | 178.8° | 179.7° |
| C18 | C17 | N16 | C14 | 1.2° | 174.5° |
| C18 | C17 | N16 | H32 | 178.8° | 5.5° |
| C21 | N22 | C17 | N16 | 179.4° | 179.9° |
| N22 | C21 | C20 | H33 | 179.5° | 179.8° |
| N22 | C17 | N16 | C14 | 179.9° | 5.2° |
| N22 | C17 | C18 | H14 | 179.3° | 180.0° |
| C17 | N22 | C21 | H15 | 179.5° | 180.0° |
| N22 | C17 | N16 | H32 | 0.1° | 174.7° |
| C17 | N16 | C14 | O15 | 0.2° | 4.8° |
| C17 | N16 | C14 | H32 | 180.0° | 180.0° |
| C17 | N16 | C14 | C13 | 178.7° | 175.3° |
| N16 | C17 | C18 | H14 | 0.7° | 0.3° |
| O15 | C14 | C13 | C12 | 38.3° | 0.0° |
| O15 | C14 | N16 | C13 | 178.9° | 180.0° |
| O15 | C14 | C13 | C42 | 141.1° | 180.0° |
| O15 | C14 | N16 | H32 | 179.8° | 175.3° |
| C11 | C12 | C13 | H13 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 179.9° | 180.0° |
| C12 | C11 | C10 | H12 | 180.0° | 179.8° |
| C11 | C12 | C13 | C42 | 0.3° | 0.1° |
| C12 | C11 | C10 | C7 | 180.0° | 179.8° |
| C12 | C11 | C10 | C43 | 0.1° | 0.2° |
| C12 | C13 | C14 | N16 | 140.6° | 179.9° |
| C12 | C13 | C14 | C42 | 179.5° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C12 | C13 | C42 | C43 | 0.4° | 0.2° |
| C13 | C12 | C11 | H12 | 179.9° | 179.7° |
| C12 | C13 | C42 | H37 | 179.5° | 180.0° |
| N16 | C14 | C13 | C42 | 39.9° | 0.0° |
| C14 | C13 | C42 | C43 | 179.9° | 179.8° |
| C14 | C13 | C12 | H13 | 0.2° | 0.0° |
| C13 | C14 | N16 | H32 | 1.3° | 4.7° |
| C14 | C13 | C42 | H37 | 0.0° | 0.0° |
| C11 | C10 | C7 | C43 | 179.9° | 180.0° |
| C11 | C10 | C43 | C42 | 0.2° | 0.5° |
| C11 | C10 | C7 | C8 | 124.5° | 120.0° |
| C11 | C10 | C7 | C6 | 114.4° | 120.3° |
| C11 | C10 | C7 | H9 | 4.7° | 0.2° |
| C10 | C11 | C12 | H13 | 179.9° | 179.9° |
| C11 | C10 | C43 | H38 | 179.8° | 180.0° |
| C13 | C42 | C43 | C10 | 0.4° | 0.5° |
| C13 | C42 | C43 | H37 | 180.0° | 179.8° |
| C42 | C13 | C12 | H13 | 179.7° | 179.9° |
| C13 | C42 | C43 | H38 | 179.6° | 180.0° |
| C7 | C10 | C43 | C42 | 179.9° | 179.5° |
| C10 | C7 | C8 | C6 | 122.9° | 119.9° |
| C10 | C7 | C8 | H9 | 120.0° | 120.1° |
| C10 | C7 | C6 | H9 | 119.2° | 120.2° |
| C10 | C7 | C8 | C9 | 172.2° | 177.6° |
| C10 | C7 | C6 | C5 | 171.6° | 177.6° |
| C10 | C7 | C6 | H7 | 51.8° | 57.6° |
| C10 | C7 | C6 | H8 | 68.7° | 62.4° |
| C10 | C7 | C8 | H10 | 68.0° | 57.7° |
| C10 | C7 | C8 | H11 | 52.5° | 62.5° |
| C7 | C10 | C11 | H12 | 0.1° | 0.0° |
| C7 | C10 | C43 | H38 | 0.1° | 0.0° |
| C10 | C43 | C42 | H38 | 180.0° | 179.5° |
| C43 | C10 | C7 | C8 | 55.4° | 60.0° |
| C43 | C10 | C7 | C6 | 65.7° | 59.7° |
| C43 | C10 | C7 | H9 | 175.2° | 179.9° |
| C43 | C10 | C11 | H12 | 180.0° | 180.0° |
| C10 | C43 | C42 | H37 | 179.6° | 179.8° |
| C8 | C7 | C6 | H9 | 117.0° | 119.9° |
| C7 | C8 | C9 | H10 | 119.7° | 119.9° |
| C7 | C8 | C9 | H11 | 119.7° | 120.0° |
| C7 | C8 | C9 | N4 | 56.9° | 59.2° |
| C8 | C7 | C6 | C5 | 64.7° | 57.7° |
| C8 | C7 | C6 | H7 | 175.5° | 62.3° |
| C8 | C7 | C6 | H8 | 55.0° | 177.6° |
| C7 | C8 | H10 | H11 | 120.8° | 120.2° |
| C7 | C8 | C9 | H30 | 177.2° | 179.2° |
| C7 | C8 | C9 | H31 | 63.4° | 60.9° |
| C6 | C7 | C8 | C9 | 64.9° | 57.6° |
| C7 | C6 | C5 | H7 | 119.7° | 119.9° |
| C7 | C6 | C5 | H8 | 119.7° | 120.0° |
| C7 | C6 | C5 | N4 | 56.6° | 59.2° |
| C7 | C6 | C5 | H5 | 63.8° | 60.8° |
| C7 | C6 | C5 | H6 | 176.9° | 179.2° |
| C7 | C6 | H7 | H8 | 120.8° | 120.1° |
| C6 | C7 | C8 | H10 | 54.8° | 62.2° |
| C6 | C7 | C8 | H11 | 175.4° | 177.6° |
| C8 | C9 | N4 | H30 | 120.3° | 120.0° |
| C8 | C9 | N4 | H31 | 120.3° | 120.1° |
| C8 | C9 | N4 | C5 | 50.7° | 61.8° |
| C8 | C9 | N4 | C3 | 179.0° | 174.2° |
| C9 | C8 | C7 | H9 | 52.2° | 62.3° |
| C9 | C8 | H10 | H11 | 120.9° | 120.1° |
| C8 | C9 | H30 | H31 | 119.0° | 120.0° |
| C9 | N4 | C5 | C6 | 50.5° | 61.8° |
| C9 | N4 | C5 | C3 | 128.0° | 124.1° |
| C9 | N4 | C3 | C2 | 79.9° | 160.0° |
| C9 | N4 | C3 | H3 | 40.6° | 80.0° |
| C9 | N4 | C3 | H4 | 159.5° | 40.0° |
| C9 | N4 | C5 | H5 | 69.8° | 58.3° |
| C9 | N4 | C5 | H6 | 170.8° | 178.3° |
| N4 | C9 | C8 | H10 | 62.8° | 60.7° |
| N4 | C9 | C8 | H11 | 176.6° | 179.2° |
| N4 | C9 | H30 | H31 | 119.1° | 120.0° |
| C6 | C5 | N4 | H5 | 120.3° | 120.0° |
| C6 | C5 | N4 | H6 | 120.3° | 120.0° |
| C6 | C5 | N4 | C3 | 178.5° | 174.2° |
| C6 | C5 | H5 | H6 | 119.0° | 120.0° |
| C5 | C6 | H7 | H8 | 120.8° | 120.1° |
| C5 | C6 | C7 | H9 | 52.3° | 62.2° |
| C5 | N4 | C3 | C2 | 150.1° | 75.8° |
| C5 | N4 | C3 | H3 | 89.4° | 44.2° |
| C5 | N4 | C3 | H4 | 29.5° | 164.2° |
| N4 | C5 | H5 | H6 | 119.0° | 120.0° |
| N4 | C5 | C6 | H7 | 176.3° | 60.8° |
| N4 | C5 | C6 | H8 | 63.2° | 179.2° |
| C5 | N4 | C9 | H30 | 171.0° | 178.2° |
| C5 | N4 | C9 | H31 | 69.6° | 58.3° |
| N4 | C3 | C2 | H3 | 120.6° | 120.1° |
| N4 | C3 | C2 | H4 | 120.5° | 119.9° |
| N4 | C3 | C2 | O1 | 51.4° | 65.0° |
| N4 | C3 | C2 | H1 | 68.7° | 175.1° |
| N4 | C3 | C2 | H2 | 171.6° | 55.1° |
| N4 | C3 | H3 | H4 | 118.3° | 120.0° |
| C3 | N4 | C5 | H5 | 58.1° | 65.8° |
| C3 | N4 | C5 | H6 | 61.2° | 54.2° |
| C3 | N4 | C9 | H30 | 60.6° | 54.2° |
| C3 | N4 | C9 | H31 | 58.7° | 65.8° |
| C3 | C2 | O1 | H1 | 120.1° | 119.9° |
| C3 | C2 | O1 | H2 | 120.1° | 120.0° |
| C3 | C2 | H1 | H2 | 119.5° | 120.0° |
| C2 | C3 | H3 | H4 | 118.3° | 120.0° |
| C3 | C2 | O1 | H28 | 180.0° | 180.0° |
| O1 | C2 | H1 | H2 | 119.6° | 120.1° |
| O1 | C2 | C3 | H3 | 172.0° | 175.0° |
| O1 | C2 | C3 | H4 | 69.1° | 55.0° |
| H1 | C2 | C3 | H3 | 51.8° | 55.0° |
| H1 | C2 | C3 | H4 | 170.7° | 65.0° |
| H1 | C2 | O1 | H28 | 59.9° | 60.1° |
| H2 | C2 | C3 | H3 | 67.8° | 65.0° |
| H2 | C2 | C3 | H4 | 51.1° | 175.0° |
| H2 | C2 | O1 | H28 | 59.8° | 60.0° |
| H5 | C5 | C6 | H7 | 56.0° | 179.2° |
| H5 | C5 | C6 | H8 | 176.5° | 59.2° |
| H6 | C5 | C6 | H7 | 63.4° | 59.2° |
| H6 | C5 | C6 | H8 | 57.2° | 60.8° |
| H7 | C6 | C7 | H9 | 67.4° | 177.8° |
| H8 | C6 | C7 | H9 | 172.0° | 57.7° |
| H9 | C7 | C8 | H10 | 171.9° | 177.8° |
| H9 | C7 | C8 | H11 | 67.5° | 57.6° |
| H10 | C8 | C9 | H30 | 57.5° | 59.3° |
| H10 | C8 | C9 | H31 | 176.8° | 179.2° |
| H11 | C8 | C9 | H30 | 63.1° | 60.9° |
| H11 | C8 | C9 | H31 | 56.3° | 59.1° |
| H12 | C11 | C12 | H13 | 0.1° | 0.3° |
| H15 | C21 | C20 | H33 | 0.5° | 0.3° |
| H16 | C31 | C32 | H18 | 69.7° | 55.0° |
| H16 | C31 | C32 | H19 | 50.1° | 65.0° |
| H17 | C31 | C32 | H18 | 49.6° | 65.1° |
| H17 | C31 | C32 | H19 | 169.5° | 175.0° |
| H20 | C34 | H21 | H22 | 120.0° | 120.0° |
| H23 | C36 | C37 | H24 | 1.0° | 0.0° |
| H25 | C40 | H26 | H27 | 120.0° | 119.9° |
| H25 | C40 | N39 | H36 | 0.0° | 0.0° |
| H26 | C40 | N39 | H36 | 120.0° | 120.1° |
| H27 | C40 | N39 | H36 | 120.0° | 120.0° |
| H37 | C42 | C43 | H38 | 0.4° | 0.2° |
