PRD_000967
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.46Å | 1.46Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | N2 | sing | 1.46Å | 1.46Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| N2 | C8 | sing | 1.37Å | 1.33Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C8 | N3 | sing | 1.33Å | 1.33Å | |
| C8 | N4 | doub | 1.33Å | 1.33Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| N5 | C9 | sing | 1.46Å | 1.46Å | |
| N5 | H17 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | C11 | sing | 1.53Å | 1.54Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.24Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | doub | 1.34Å | 1.37Å | Aromatic |
| C12 | C14 | sing | 1.46Å | 1.43Å | Aromatic |
| C13 | N6 | sing | 1.37Å | 1.38Å | Aromatic |
| C13 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.41Å | 1.41Å | Aromatic |
| C14 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| N6 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| N6 | H22 | sing | 0.97Å | 1.00Å | |
| C15 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C18 | doub | 1.37Å | 1.39Å | Aromatic |
| C16 | H23 | sing | 1.08Å | 1.08Å | |
| C17 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | H24 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | H25 | sing | 1.08Å | 1.08Å | |
| C19 | H26 | sing | 1.08Å | 1.08Å | |
| C20 | O4 | doub | 1.21Å | 1.23Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C21 | N7 | sing | 1.46Å | 1.47Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| N8 | C28 | sing | 1.48Å | 1.47Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| N7 | H28 | sing | 0.97Å | 1.00Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| N8 | H43 | sing | 0.97Å | 1.00Å | |
| N9 | C29 | sing | 1.47Å | 1.46Å | |
| N9 | H44 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.51Å | 1.53Å | |
| C29 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C30 | O5 | doub | 1.21Å | 1.23Å | |
| C31 | C32 | sing | 1.51Å | 1.50Å | |
| C31 | H46 | sing | 1.09Å | 1.10Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | H48 | sing | 1.08Å | 1.08Å | |
| C34 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | H49 | sing | 1.08Å | 1.08Å | |
| C35 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | H50 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | H51 | sing | 1.08Å | 1.08Å | |
| C37 | H52 | sing | 1.08Å | 1.08Å | |
| N10 | C38 | sing | 1.47Å | 1.47Å | |
| N10 | C42 | sing | 1.46Å | 1.47Å | |
| C38 | C39 | sing | 1.49Å | 1.53Å | |
| C38 | C40 | sing | 1.54Å | 1.53Å | |
| C38 | H53 | sing | 1.10Å | 1.10Å | |
| C39 | O6 | doub | 1.21Å | 1.24Å | |
| C40 | C41 | sing | 1.54Å | 1.48Å | |
| C40 | H54 | sing | 1.09Å | 1.10Å | |
| C40 | H55 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.53Å | 1.50Å | |
| C41 | H56 | sing | 1.09Å | 1.10Å | |
| C41 | H57 | sing | 1.09Å | 1.10Å | |
| C42 | H58 | sing | 1.09Å | 1.10Å | |
| C42 | H59 | sing | 1.09Å | 1.10Å | |
| N11 | C43 | sing | 1.48Å | 1.46Å | |
| N11 | H60 | sing | 0.97Å | 1.00Å | |
| C43 | C44 | sing | 1.51Å | 1.53Å | |
| C43 | C45 | sing | 1.53Å | 1.53Å | |
| C43 | H61 | sing | 1.09Å | 1.10Å | |
| C44 | O7 | doub | 1.21Å | 1.23Å | |
| C45 | H62 | sing | 1.09Å | 1.10Å | |
| C45 | H63 | sing | 1.09Å | 1.10Å | |
| C45 | H64 | sing | 1.09Å | 1.10Å | |
| N12 | C46 | sing | 1.48Å | 1.46Å | |
| N12 | H65 | sing | 0.97Å | 1.00Å | |
| C46 | C47 | sing | 1.51Å | 1.53Å | |
| C46 | C48 | sing | 1.53Å | 1.53Å | |
| C46 | H66 | sing | 1.09Å | 1.10Å | |
| C47 | O8 | doub | 1.21Å | 1.23Å | |
| C48 | C49 | sing | 1.53Å | 1.52Å | |
| C48 | H67 | sing | 1.09Å | 1.10Å | |
| C48 | H68 | sing | 1.09Å | 1.10Å | |
| C49 | C50 | sing | 1.53Å | 1.52Å | |
| C49 | H69 | sing | 1.09Å | 1.10Å | |
| C49 | H70 | sing | 1.09Å | 1.10Å | |
| C50 | N13 | sing | 1.46Å | 1.46Å | |
| C50 | H71 | sing | 1.09Å | 1.10Å | |
| C50 | H72 | sing | 1.09Å | 1.10Å | |
| N13 | C51 | sing | 1.37Å | 1.33Å | |
| N13 | H73 | sing | 0.97Å | 1.00Å | |
| C51 | N14 | sing | 1.33Å | 1.33Å | |
| C51 | N15 | doub | 1.33Å | 1.33Å | |
| N14 | H74 | sing | 0.97Å | 1.00Å | |
| N14 | H75 | sing | 0.97Å | 1.00Å | |
| N15 | H76 | sing | 0.97Å | 1.00Å | |
| N15 | H77 | sing | 0.97Å | 1.00Å | |
| N16 | C52 | sing | 1.47Å | 1.47Å | |
| N16 | C56 | sing | 1.46Å | 1.47Å | |
| C52 | C53 | sing | 1.53Å | 1.52Å | |
| C52 | C54 | sing | 1.53Å | 1.53Å | |
| C52 | H78 | sing | 1.09Å | 1.10Å | |
| C53 | O9 | doub | 1.21Å | 1.23Å | |
| C54 | C55 | sing | 1.54Å | 1.49Å | |
| C54 | H79 | sing | 1.09Å | 1.10Å | |
| C54 | H80 | sing | 1.09Å | 1.10Å | |
| C55 | C56 | sing | 1.54Å | 1.50Å | |
| C55 | H81 | sing | 1.09Å | 1.10Å | |
| C55 | H82 | sing | 1.09Å | 1.10Å | |
| C56 | H83 | sing | 1.09Å | 1.10Å | |
| C56 | H84 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.27Å | |
| C4 | N5 | sing | 1.35Å | 1.33Å | |
| C10 | N7 | sing | 1.35Å | 1.34Å | |
| C20 | N9 | sing | 1.35Å | 1.26Å | |
| N8 | C53 | sing | 1.36Å | 1.38Å | |
| C30 | N10 | sing | 1.35Å | 1.34Å | |
| C39 | N11 | sing | 1.35Å | 1.33Å | |
| C44 | N12 | sing | 1.36Å | 1.33Å | |
| C47 | N16 | sing | 1.35Å | 1.43Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.0° | 120.0° |
| O1 | C1 | N1 | 117.7° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C2 | C1 | N1 | 110.7° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 115.4° | 120.0° |
| N1 | C3 | C4 | 108.9° | 109.4° |
| N1 | C3 | C5 | 110.7° | 109.5° |
| N1 | C3 | H5 | 109.7° | 109.5° |
| C3 | N1 | C1 | 129.2° | 120.0° |
| H4 | N1 | C1 | 115.4° | 120.0° |
| C4 | C3 | C5 | 109.9° | 109.5° |
| C4 | C3 | H5 | 108.9° | 109.4° |
| C3 | C4 | O2 | 121.2° | 120.0° |
| C3 | C4 | N5 | 116.0° | 120.0° |
| C5 | C3 | H5 | 108.8° | 109.5° |
| C3 | C5 | C6 | 114.7° | 109.5° |
| C3 | C5 | H6 | 108.2° | 109.5° |
| C3 | C5 | H7 | 108.2° | 109.5° |
| O2 | C4 | N5 | 122.9° | 120.0° |
| C6 | C5 | H6 | 108.1° | 109.5° |
| C6 | C5 | H7 | 108.2° | 109.4° |
| C5 | C6 | C7 | 111.5° | 109.5° |
| C5 | C6 | H8 | 109.0° | 109.5° |
| C5 | C6 | H9 | 109.0° | 109.4° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C7 | C6 | H8 | 108.9° | 109.5° |
| C7 | C6 | H9 | 109.0° | 109.4° |
| C6 | C7 | N2 | 112.1° | 109.5° |
| C6 | C7 | H10 | 108.8° | 109.5° |
| C6 | C7 | H11 | 108.8° | 109.4° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| N2 | C7 | H10 | 108.8° | 109.5° |
| N2 | C7 | H11 | 108.8° | 109.5° |
| C7 | N2 | C8 | 124.4° | 120.0° |
| C7 | N2 | H12 | 117.8° | 120.0° |
| H10 | C7 | H11 | 109.5° | 109.4° |
| C8 | N2 | H12 | 117.8° | 120.0° |
| N2 | C8 | N3 | 120.5° | 120.0° |
| N2 | C8 | N4 | 119.9° | 120.0° |
| N3 | C8 | N4 | 119.6° | 120.0° |
| C8 | N3 | H13 | 120.0° | 120.0° |
| C8 | N3 | H14 | 120.0° | 120.0° |
| C8 | N4 | H15 | 120.0° | 120.0° |
| C8 | N4 | H16 | 120.0° | 120.0° |
| H13 | N3 | H14 | 120.0° | 120.0° |
| H15 | N4 | H16 | 120.0° | 120.0° |
| C9 | N5 | H17 | 118.9° | 120.0° |
| N5 | C9 | C10 | 110.1° | 109.5° |
| N5 | C9 | C11 | 111.8° | 109.5° |
| N5 | C9 | H18 | 108.8° | 109.5° |
| C9 | N5 | C4 | 122.3° | 120.0° |
| H17 | N5 | C4 | 118.9° | 120.0° |
| C10 | C9 | C11 | 110.2° | 109.5° |
| C10 | C9 | H18 | 108.0° | 109.4° |
| C9 | C10 | O3 | 121.2° | 120.0° |
| C9 | C10 | N7 | 129.3° | 120.0° |
| C11 | C9 | H18 | 107.8° | 109.4° |
| C9 | C11 | C12 | 112.9° | 109.5° |
| C9 | C11 | H19 | 108.6° | 109.4° |
| C9 | C11 | H20 | 108.6° | 109.5° |
| O3 | C10 | N7 | 108.6° | 120.0° |
| C12 | C11 | H19 | 108.6° | 109.4° |
| C12 | C11 | H20 | 108.6° | 109.5° |
| C11 | C12 | C13 | 126.6° | 126.4° |
| C11 | C12 | C14 | 127.3° | 126.5° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| C13 | C12 | C14 | 106.1° | 107.1° |
| C12 | C13 | N6 | 110.3° | 109.9° |
| C12 | C13 | H21 | 124.8° | 125.1° |
| C12 | C14 | C15 | 107.4° | 106.0° |
| C12 | C14 | C16 | 134.0° | 134.1° |
| N6 | C13 | H21 | 124.9° | 125.0° |
| C13 | N6 | C15 | 108.9° | 109.9° |
| C13 | N6 | H22 | 125.6° | 125.1° |
| C15 | C14 | C16 | 118.5° | 119.9° |
| C14 | C15 | N6 | 107.3° | 107.1° |
| C14 | C15 | C17 | 122.8° | 119.4° |
| C14 | C16 | C18 | 118.6° | 119.8° |
| C14 | C16 | H23 | 120.7° | 120.1° |
| C15 | N6 | H22 | 125.5° | 125.0° |
| N6 | C15 | C17 | 129.9° | 133.5° |
| C15 | C17 | C19 | 117.3° | 119.7° |
| C15 | C17 | H24 | 121.3° | 120.1° |
| C18 | C16 | H23 | 120.7° | 120.1° |
| C16 | C18 | C19 | 121.2° | 120.5° |
| C16 | C18 | H25 | 119.4° | 119.7° |
| C19 | C17 | H24 | 121.3° | 120.1° |
| C17 | C19 | C18 | 121.5° | 120.7° |
| C17 | C19 | H26 | 119.3° | 119.7° |
| C19 | C18 | H25 | 119.4° | 119.7° |
| C18 | C19 | H26 | 119.2° | 119.6° |
| O4 | C20 | C21 | 121.0° | 120.0° |
| O4 | C20 | N9 | 118.1° | 120.0° |
| C20 | C21 | N7 | 109.5° | 109.5° |
| C20 | C21 | C22 | 109.5° | 109.4° |
| C20 | C21 | H27 | 108.7° | 109.5° |
| C21 | C20 | N9 | 115.1° | 120.0° |
| N7 | C21 | C22 | 111.0° | 109.5° |
| N7 | C21 | H27 | 109.5° | 109.5° |
| C21 | N7 | H28 | 106.7° | 120.0° |
| C21 | N7 | C10 | 146.6° | 120.0° |
| C21 | C22 | C23 | 109.5° | 109.4° |
| C22 | C21 | H27 | 108.6° | 109.5° |
| C21 | C22 | H29 | 109.5° | 109.5° |
| C21 | C22 | H30 | 109.4° | 109.5° |
| C22 | C23 | C24 | 109.5° | 109.6° |
| C23 | C22 | H29 | 109.4° | 109.4° |
| C23 | C22 | H30 | 109.5° | 109.5° |
| C22 | C23 | H31 | 109.4° | 109.5° |
| C22 | C23 | H32 | 109.5° | 109.5° |
| C23 | C24 | C25 | 109.5° | 109.4° |
| C24 | C23 | H31 | 109.5° | 109.4° |
| C24 | C23 | H32 | 109.4° | 109.5° |
| C23 | C24 | H33 | 109.4° | 109.5° |
| C23 | C24 | H34 | 109.5° | 109.5° |
| C24 | C25 | C26 | 109.5° | 109.4° |
| C25 | C24 | H33 | 109.5° | 109.5° |
| C25 | C24 | H34 | 109.4° | 109.5° |
| C24 | C25 | H35 | 109.5° | 109.4° |
| C24 | C25 | H36 | 109.5° | 109.5° |
| C25 | C26 | C27 | 109.5° | 109.5° |
| C26 | C25 | H35 | 109.5° | 109.5° |
| C26 | C25 | H36 | 109.4° | 109.5° |
| C25 | C26 | H37 | 109.5° | 109.4° |
| C25 | C26 | H38 | 109.5° | 109.5° |
| C26 | C27 | C28 | 109.5° | 109.4° |
| C27 | C26 | H37 | 109.4° | 109.4° |
| C27 | C26 | H38 | 109.5° | 109.4° |
| C26 | C27 | H39 | 109.4° | 109.5° |
| C26 | C27 | H40 | 109.5° | 109.5° |
| C27 | C28 | N8 | 111.0° | 108.9° |
| C28 | C27 | H39 | 109.5° | 109.5° |
| C28 | C27 | H40 | 109.4° | 109.5° |
| C27 | C28 | H41 | 109.1° | 109.6° |
| C27 | C28 | H42 | 109.1° | 109.6° |
| N8 | C28 | H41 | 109.1° | 109.6° |
| N8 | C28 | H42 | 109.1° | 109.7° |
| C28 | N8 | H43 | 121.5° | 121.7° |
| C28 | N8 | C53 | 117.0° | 116.6° |
| H28 | N7 | C10 | 106.7° | 120.0° |
| H29 | C22 | H30 | 109.5° | 109.4° |
| H31 | C23 | H32 | 109.5° | 109.4° |
| H33 | C24 | H34 | 109.5° | 109.5° |
| H35 | C25 | H36 | 109.5° | 109.5° |
| H37 | C26 | H38 | 109.5° | 109.5° |
| H39 | C27 | H40 | 109.5° | 109.5° |
| H41 | C28 | H42 | 109.5° | 109.5° |
| H43 | N8 | C53 | 121.5° | 121.7° |
| C29 | N9 | H44 | 119.7° | 119.9° |
| N9 | C29 | C30 | 108.8° | 109.2° |
| N9 | C29 | C31 | 111.6° | 109.5° |
| N9 | C29 | H45 | 109.1° | 109.5° |
| C29 | N9 | C20 | 120.7° | 120.2° |
| H44 | N9 | C20 | 119.6° | 119.9° |
| C30 | C29 | C31 | 110.8° | 109.5° |
| C30 | C29 | H45 | 108.3° | 109.5° |
| C29 | C30 | O5 | 120.4° | 120.0° |
| C29 | C30 | N10 | 116.9° | 120.1° |
| C31 | C29 | H45 | 108.2° | 109.5° |
| C29 | C31 | C32 | 113.7° | 109.5° |
| C29 | C31 | H46 | 108.4° | 109.5° |
| C29 | C31 | H47 | 108.4° | 109.5° |
| O5 | C30 | N10 | 122.7° | 120.0° |
| C32 | C31 | H46 | 108.4° | 109.5° |
| C32 | C31 | H47 | 108.4° | 109.5° |
| C31 | C32 | C33 | 120.6° | 120.0° |
| C31 | C32 | C34 | 120.7° | 120.0° |
| H46 | C31 | H47 | 109.5° | 109.4° |
| C33 | C32 | C34 | 118.7° | 120.0° |
| C32 | C33 | C35 | 120.9° | 120.0° |
| C32 | C33 | H48 | 119.6° | 120.0° |
| C32 | C34 | C36 | 120.7° | 120.1° |
| C32 | C34 | H49 | 119.6° | 120.0° |
| C35 | C33 | H48 | 119.6° | 120.0° |
| C33 | C35 | C37 | 119.9° | 120.0° |
| C33 | C35 | H50 | 120.0° | 120.0° |
| C36 | C34 | H49 | 119.6° | 120.0° |
| C34 | C36 | C37 | 119.9° | 120.0° |
| C34 | C36 | H51 | 120.0° | 120.0° |
| C37 | C35 | H50 | 120.1° | 120.0° |
| C35 | C37 | C36 | 119.9° | 120.0° |
| C35 | C37 | H52 | 120.1° | 120.0° |
| C37 | C36 | H51 | 120.1° | 120.0° |
| C36 | C37 | H52 | 120.0° | 120.0° |
| C38 | N10 | C42 | 112.0° | 108.9° |
| N10 | C38 | C39 | 113.0° | 110.4° |
| N10 | C38 | C40 | 103.3° | 107.6° |
| N10 | C38 | H53 | 110.6° | 109.0° |
| C38 | N10 | C30 | 122.6° | 125.3° |
| N10 | C42 | C41 | 103.0° | 108.2° |
| N10 | C42 | H58 | 111.1° | 109.7° |
| N10 | C42 | H59 | 111.1° | 109.8° |
| C42 | N10 | C30 | 125.4° | 125.8° |
| C39 | C38 | C40 | 110.4° | 110.5° |
| C39 | C38 | H53 | 109.8° | 110.4° |
| C38 | C39 | O6 | 120.8° | 117.0° |
| C38 | C39 | N11 | 115.6° | 126.0° |
| C40 | C38 | H53 | 109.7° | 108.9° |
| C38 | C40 | C41 | 104.7° | 105.6° |
| C38 | C40 | H54 | 110.7° | 110.2° |
| C38 | C40 | H55 | 110.7° | 110.2° |
| O6 | C39 | N11 | 123.7° | 117.0° |
| C41 | C40 | H54 | 110.7° | 110.2° |
| C41 | C40 | H55 | 110.6° | 110.2° |
| C40 | C41 | C42 | 105.6° | 106.2° |
| C40 | C41 | H56 | 110.4° | 110.1° |
| C40 | C41 | H57 | 110.4° | 110.1° |
| H54 | C40 | H55 | 109.5° | 110.3° |
| C42 | C41 | H56 | 110.4° | 110.1° |
| C42 | C41 | H57 | 110.4° | 110.1° |
| C41 | C42 | H58 | 111.1° | 109.7° |
| C41 | C42 | H59 | 111.1° | 109.7° |
| H56 | C41 | H57 | 109.5° | 110.1° |
| H58 | C42 | H59 | 109.5° | 109.7° |
| C43 | N11 | H60 | 118.7° | 121.4° |
| N11 | C43 | C44 | 113.3° | 109.0° |
| N11 | C43 | C45 | 110.6° | 109.5° |
| N11 | C43 | H61 | 107.8° | 109.5° |
| C43 | N11 | C39 | 122.5° | 117.2° |
| H60 | N11 | C39 | 118.7° | 121.4° |
| C44 | C43 | C45 | 110.8° | 109.6° |
| C44 | C43 | H61 | 106.9° | 109.5° |
| C43 | C44 | O7 | 120.3° | 120.5° |
| C43 | C44 | N12 | 116.8° | 119.0° |
| C45 | C43 | H61 | 107.0° | 109.7° |
| C43 | C45 | H62 | 109.5° | 109.5° |
| C43 | C45 | H63 | 109.5° | 109.5° |
| C43 | C45 | H64 | 109.5° | 109.5° |
| O7 | C44 | N12 | 122.9° | 120.5° |
| H62 | C45 | H63 | 109.5° | 109.4° |
| H62 | C45 | H64 | 109.5° | 109.5° |
| H63 | C45 | H64 | 109.5° | 109.4° |
| C46 | N12 | H65 | 118.9° | 121.7° |
| N12 | C46 | C47 | 109.2° | 108.7° |
| N12 | C46 | C48 | 109.9° | 109.6° |
| N12 | C46 | H66 | 109.8° | 109.6° |
| C46 | N12 | C44 | 122.1° | 116.6° |
| H65 | N12 | C44 | 118.9° | 121.7° |
| C47 | C46 | C48 | 110.2° | 109.6° |
| C47 | C46 | H66 | 108.9° | 109.6° |
| C46 | C47 | O8 | 120.1° | 120.0° |
| C46 | C47 | N16 | 96.3° | 120.1° |
| C48 | C46 | H66 | 108.8° | 109.7° |
| C46 | C48 | C49 | 114.6° | 109.5° |
| C46 | C48 | H67 | 108.2° | 109.5° |
| C46 | C48 | H68 | 108.2° | 109.5° |
| O8 | C47 | N16 | 143.2° | 119.9° |
| C49 | C48 | H67 | 108.2° | 109.4° |
| C49 | C48 | H68 | 108.2° | 109.5° |
| C48 | C49 | C50 | 111.7° | 109.5° |
| C48 | C49 | H69 | 108.9° | 109.4° |
| C48 | C49 | H70 | 108.9° | 109.5° |
| H67 | C48 | H68 | 109.5° | 109.5° |
| C50 | C49 | H69 | 108.9° | 109.5° |
| C50 | C49 | H70 | 108.9° | 109.5° |
| C49 | C50 | N13 | 111.5° | 109.4° |
| C49 | C50 | H71 | 109.0° | 109.4° |
| C49 | C50 | H72 | 109.0° | 109.5° |
| H69 | C49 | H70 | 109.5° | 109.5° |
| N13 | C50 | H71 | 109.0° | 109.5° |
| N13 | C50 | H72 | 109.0° | 109.5° |
| C50 | N13 | C51 | 124.1° | 120.0° |
| C50 | N13 | H73 | 117.9° | 120.0° |
| H71 | C50 | H72 | 109.5° | 109.5° |
| C51 | N13 | H73 | 118.0° | 120.0° |
| N13 | C51 | N14 | 119.9° | 120.0° |
| N13 | C51 | N15 | 120.3° | 120.0° |
| N14 | C51 | N15 | 119.7° | 120.0° |
| C51 | N14 | H74 | 120.0° | 120.0° |
| C51 | N14 | H75 | 120.0° | 119.9° |
| C51 | N15 | H76 | 120.0° | 120.0° |
| C51 | N15 | H77 | 120.0° | 120.0° |
| H74 | N14 | H75 | 120.0° | 120.1° |
| H76 | N15 | H77 | 120.1° | 120.0° |
| C52 | N16 | C56 | 112.2° | 109.6° |
| N16 | C52 | C53 | 111.8° | 111.1° |
| N16 | C52 | C54 | 103.0° | 108.1° |
| N16 | C52 | H78 | 111.1° | 109.7° |
| C52 | N16 | C47 | 99.0° | 125.1° |
| N16 | C56 | C55 | 103.2° | 108.6° |
| N16 | C56 | H83 | 111.0° | 109.6° |
| N16 | C56 | H84 | 111.0° | 109.6° |
| C56 | N16 | C47 | 143.6° | 125.4° |
| C53 | C52 | C54 | 110.1° | 109.6° |
| C53 | C52 | H78 | 110.3° | 108.5° |
| C52 | C53 | O9 | 119.0° | 119.2° |
| C52 | C53 | N8 | 131.5° | 120.4° |
| C54 | C52 | H78 | 110.2° | 109.9° |
| C52 | C54 | C55 | 104.4° | 105.7° |
| C52 | C54 | H79 | 110.7° | 110.2° |
| C52 | C54 | H80 | 110.7° | 110.2° |
| O9 | C53 | N8 | 109.2° | 120.5° |
| C55 | C54 | H79 | 110.7° | 110.2° |
| C55 | C54 | H80 | 110.7° | 110.2° |
| C54 | C55 | C56 | 105.9° | 105.7° |
| C54 | C55 | H81 | 110.3° | 110.2° |
| C54 | C55 | H82 | 110.3° | 110.2° |
| H79 | C54 | H80 | 109.5° | 110.2° |
| C56 | C55 | H81 | 110.4° | 110.1° |
| C56 | C55 | H82 | 110.4° | 110.3° |
| C55 | C56 | H83 | 111.0° | 109.6° |
| C55 | C56 | H84 | 111.0° | 109.7° |
| H81 | C55 | H82 | 109.5° | 110.3° |
| H83 | C56 | H84 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 143.9° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 20.4° | 0.0° |
| O1 | C1 | N1 | H4 | 159.6° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 119.9° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 124.8° | 179.7° |
| C2 | C1 | N1 | H4 | 55.2° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 143.9° | 179.7° |
| H2 | C2 | C1 | N1 | 96.1° | 59.7° |
| H3 | C2 | C1 | N1 | 23.9° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 121.4° | 120.0° |
| N1 | C3 | C4 | H5 | 119.5° | 120.0° |
| N1 | C3 | C5 | H5 | 120.6° | 120.0° |
| N1 | C3 | C4 | O2 | 120.1° | 20.0° |
| N1 | C3 | C5 | C6 | 44.4° | 65.1° |
| N1 | C3 | C5 | H6 | 76.4° | 55.0° |
| N1 | C3 | C5 | H7 | 165.2° | 175.0° |
| N1 | C3 | C4 | N5 | 60.0° | 160.0° |
| H4 | N1 | C3 | C4 | 114.0° | 120.0° |
| H4 | N1 | C3 | C5 | 6.9° | 120.0° |
| H4 | N1 | C3 | H5 | 127.0° | 0.0° |
| C4 | C3 | C5 | H5 | 119.1° | 120.0° |
| C3 | C4 | O2 | N5 | 179.9° | 180.0° |
| C4 | C3 | C5 | C6 | 164.7° | 174.9° |
| C4 | C3 | C5 | H6 | 43.9° | 65.0° |
| C4 | C3 | C5 | H7 | 74.5° | 55.0° |
| C3 | C4 | N5 | C9 | 173.1° | 180.0° |
| C3 | C4 | N5 | H17 | 6.9° | 0.1° |
| C4 | C3 | N1 | C1 | 66.0° | 60.0° |
| C5 | C3 | C4 | O2 | 118.4° | 100.0° |
| C3 | C5 | C6 | H6 | 120.8° | 120.0° |
| C3 | C5 | C6 | H7 | 120.8° | 120.0° |
| C3 | C5 | H6 | H7 | 117.6° | 120.0° |
| C3 | C5 | C6 | C7 | 176.9° | 180.0° |
| C3 | C5 | C6 | H8 | 56.6° | 60.0° |
| C3 | C5 | C6 | H9 | 62.8° | 60.1° |
| C5 | C3 | N1 | C1 | 173.1° | 60.0° |
| C5 | C3 | C4 | N5 | 61.4° | 80.0° |
| H5 | C3 | C4 | O2 | 0.6° | 140.0° |
| H5 | C3 | C5 | C6 | 76.2° | 55.0° |
| H5 | C3 | C5 | H6 | 163.0° | 175.0° |
| H5 | C3 | C5 | H7 | 44.6° | 65.0° |
| H5 | C3 | N1 | C1 | 53.0° | 180.0° |
| H5 | C3 | C4 | N5 | 179.6° | 40.0° |
| O2 | C4 | N5 | C9 | 7.0° | 0.1° |
| O2 | C4 | N5 | H17 | 173.0° | 180.0° |
| C6 | C5 | H6 | H7 | 117.6° | 120.0° |
| C5 | C6 | C7 | H8 | 120.3° | 120.1° |
| C5 | C6 | C7 | H9 | 120.3° | 119.9° |
| C5 | C6 | H8 | H9 | 119.1° | 120.0° |
| C5 | C6 | C7 | N2 | 89.0° | 180.0° |
| C5 | C6 | C7 | H10 | 150.6° | 59.9° |
| C5 | C6 | C7 | H11 | 31.4° | 60.0° |
| H6 | C5 | C6 | C7 | 62.3° | 59.9° |
| H6 | C5 | C6 | H8 | 177.4° | 180.0° |
| H6 | C5 | C6 | H9 | 58.0° | 60.0° |
| H7 | C5 | C6 | C7 | 56.1° | 60.1° |
| H7 | C5 | C6 | H8 | 64.2° | 60.0° |
| H7 | C5 | C6 | H9 | 176.4° | 180.0° |
| C7 | C6 | H8 | H9 | 119.1° | 120.0° |
| C6 | C7 | N2 | H10 | 120.4° | 120.1° |
| C6 | C7 | N2 | H11 | 120.4° | 119.9° |
| C6 | C7 | H10 | H11 | 118.8° | 120.0° |
| C6 | C7 | N2 | C8 | 74.2° | 180.0° |
| C6 | C7 | N2 | H12 | 105.8° | 0.1° |
| H8 | C6 | C7 | N2 | 31.3° | 60.0° |
| H8 | C6 | C7 | H10 | 89.1° | 180.0° |
| H8 | C6 | C7 | H11 | 151.7° | 60.0° |
| H9 | C6 | C7 | N2 | 150.7° | 60.1° |
| H9 | C6 | C7 | H10 | 30.3° | 60.0° |
| H9 | C6 | C7 | H11 | 88.9° | 179.9° |
| N2 | C7 | H10 | H11 | 118.8° | 120.0° |
| C7 | N2 | C8 | H12 | 180.0° | 180.0° |
| C7 | N2 | C8 | N3 | 0.2° | 0.0° |
| C7 | N2 | C8 | N4 | 180.0° | 180.0° |
| H10 | C7 | N2 | C8 | 165.4° | 60.0° |
| H10 | C7 | N2 | H12 | 14.6° | 120.0° |
| H11 | C7 | N2 | C8 | 46.2° | 60.0° |
| H11 | C7 | N2 | H12 | 133.8° | 120.0° |
| N2 | C8 | N3 | N4 | 179.8° | 180.0° |
| N2 | C8 | N3 | H13 | 179.8° | 0.0° |
| N2 | C8 | N3 | H14 | 0.2° | 180.0° |
| N2 | C8 | N4 | H15 | 179.8° | 180.0° |
| N2 | C8 | N4 | H16 | 0.2° | 0.0° |
| H12 | N2 | C8 | N3 | 179.8° | 180.0° |
| H12 | N2 | C8 | N4 | 0.0° | 0.0° |
| C8 | N3 | H13 | H14 | 180.0° | 179.9° |
| N3 | C8 | N4 | H15 | 0.0° | 0.1° |
| N3 | C8 | N4 | H16 | 180.0° | 180.0° |
| N4 | C8 | N3 | H13 | 0.0° | 180.0° |
| N4 | C8 | N3 | H14 | 180.0° | 0.1° |
| C8 | N4 | H15 | H16 | 180.0° | 179.9° |
| C9 | N5 | H17 | C4 | 180.0° | 179.9° |
| N5 | C9 | C10 | C11 | 123.8° | 120.1° |
| N5 | C9 | C10 | H18 | 118.7° | 120.0° |
| N5 | C9 | C11 | H18 | 119.5° | 120.0° |
| N5 | C9 | C10 | O3 | 53.8° | 11.7° |
| N5 | C9 | C11 | C12 | 141.1° | 56.3° |
| N5 | C9 | C11 | H19 | 98.4° | 63.6° |
| N5 | C9 | C11 | H20 | 20.6° | 176.4° |
| N5 | C9 | C10 | N7 | 114.3° | 168.3° |
| H17 | N5 | C9 | C10 | 25.6° | 25.0° |
| H17 | N5 | C9 | C11 | 97.2° | 95.1° |
| H17 | N5 | C9 | H18 | 143.8° | 144.9° |
| C10 | C9 | C11 | H18 | 117.6° | 119.9° |
| C9 | C10 | O3 | N7 | 170.3° | 180.0° |
| C10 | C9 | C11 | C12 | 18.3° | 176.4° |
| C10 | C9 | C11 | H19 | 138.8° | 56.5° |
| C10 | C9 | C11 | H20 | 102.3° | 63.5° |
| C9 | C10 | N7 | C21 | 146.5° | 174.0° |
| C9 | C10 | N7 | H28 | 33.4° | 6.0° |
| C10 | C9 | N5 | C4 | 154.4° | 154.9° |
| C11 | C9 | C10 | O3 | 70.0° | 108.3° |
| C9 | C11 | C12 | H19 | 120.5° | 119.9° |
| C9 | C11 | C12 | H20 | 120.5° | 120.1° |
| C9 | C11 | H19 | H20 | 118.4° | 120.0° |
| C9 | C11 | C12 | C13 | 88.7° | 83.6° |
| C9 | C11 | C12 | C14 | 90.4° | 96.1° |
| C11 | C9 | N5 | C4 | 82.7° | 85.0° |
| C11 | C9 | C10 | N7 | 121.9° | 71.6° |
| H18 | C9 | C10 | O3 | 172.5° | 131.7° |
| H18 | C9 | C11 | C12 | 99.3° | 63.7° |
| H18 | C9 | C11 | H19 | 21.2° | 176.4° |
| H18 | C9 | C11 | H20 | 140.1° | 56.4° |
| H18 | C9 | N5 | C4 | 36.2° | 35.0° |
| H18 | C9 | C10 | N7 | 4.4° | 48.3° |
| O3 | C10 | N7 | C21 | 44.2° | 6.0° |
| O3 | C10 | N7 | H28 | 135.8° | 174.0° |
| C12 | C11 | H19 | H20 | 118.4° | 120.0° |
| C11 | C12 | C13 | C14 | 179.3° | 179.8° |
| C11 | C12 | C13 | N6 | 179.2° | 180.0° |
| C11 | C12 | C13 | H21 | 0.7° | 0.0° |
| C11 | C12 | C14 | C15 | 179.2° | 180.0° |
| C11 | C12 | C14 | C16 | 0.4° | 0.1° |
| H19 | C11 | C12 | C13 | 150.7° | 156.4° |
| H19 | C11 | C12 | C14 | 30.1° | 23.8° |
| H20 | C11 | C12 | C13 | 31.8° | 36.5° |
| H20 | C11 | C12 | C14 | 149.1° | 143.8° |
| C12 | C13 | N6 | H21 | 180.0° | 180.0° |
| C13 | C12 | C14 | C15 | 0.1° | 0.3° |
| C13 | C12 | C14 | C16 | 179.7° | 179.8° |
| C12 | C13 | N6 | C15 | 0.0° | 0.1° |
| C12 | C13 | N6 | H22 | 180.0° | 180.0° |
| C14 | C12 | C13 | N6 | 0.1° | 0.2° |
| C14 | C12 | C13 | H21 | 180.0° | 179.8° |
| C12 | C14 | C15 | C16 | 179.7° | 179.9° |
| C12 | C14 | C15 | N6 | 0.1° | 0.2° |
| C12 | C14 | C15 | C17 | 180.0° | 179.9° |
| C12 | C14 | C16 | C18 | 179.8° | 180.0° |
| C12 | C14 | C16 | H23 | 0.2° | 0.1° |
| C13 | N6 | C15 | C14 | 0.1° | 0.0° |
| C13 | N6 | C15 | H22 | 180.0° | 179.9° |
| C13 | N6 | C15 | C17 | 180.0° | 179.8° |
| H21 | C13 | N6 | C15 | 180.0° | 179.9° |
| H21 | C13 | N6 | H22 | 0.1° | 0.0° |
| C14 | C15 | N6 | C17 | 179.9° | 179.7° |
| C14 | C15 | N6 | H22 | 179.9° | 179.8° |
| C15 | C14 | C16 | C18 | 0.3° | 0.1° |
| C15 | C14 | C16 | H23 | 179.7° | 180.0° |
| C14 | C15 | C17 | C19 | 0.1° | 0.1° |
| C14 | C15 | C17 | H24 | 179.9° | 179.9° |
| C16 | C14 | C15 | N6 | 179.8° | 179.9° |
| C16 | C14 | C15 | C17 | 0.3° | 0.1° |
| C14 | C16 | C18 | H23 | 180.0° | 179.9° |
| C14 | C16 | C18 | C19 | 0.1° | 0.0° |
| C14 | C16 | C18 | H25 | 179.9° | 180.0° |
| N6 | C15 | C17 | C19 | 180.0° | 179.8° |
| N6 | C15 | C17 | H24 | 0.0° | 0.4° |
| H22 | N6 | C15 | C17 | 0.0° | 0.1° |
| C15 | C17 | C19 | H24 | 180.0° | 179.9° |
| C15 | C17 | C19 | C18 | 0.1° | 0.0° |
| C15 | C17 | C19 | H26 | 179.9° | 179.9° |
| C16 | C18 | C19 | C17 | 0.1° | 0.0° |
| C16 | C18 | C19 | H25 | 180.0° | 180.0° |
| C16 | C18 | C19 | H26 | 179.8° | 180.0° |
| H23 | C16 | C18 | C19 | 179.9° | 179.9° |
| H23 | C16 | C18 | H25 | 0.1° | 0.1° |
| C17 | C19 | C18 | H26 | 180.0° | 180.0° |
| C17 | C19 | C18 | H25 | 179.9° | 180.0° |
| H24 | C17 | C19 | C18 | 179.8° | 179.9° |
| H24 | C17 | C19 | H26 | 0.2° | 0.1° |
| H25 | C18 | C19 | H26 | 0.2° | 0.0° |
| O4 | C20 | C21 | N9 | 152.5° | 179.7° |
| O4 | C20 | C21 | N7 | 52.5° | 112.6° |
| O4 | C20 | C21 | C22 | 69.5° | 7.5° |
| O4 | C20 | C21 | H27 | 172.0° | 127.5° |
| O4 | C20 | N9 | C29 | 5.4° | 179.9° |
| O4 | C20 | N9 | H44 | 174.6° | 0.2° |
| C20 | C21 | N7 | C22 | 121.1° | 120.0° |
| C20 | C21 | N7 | H27 | 119.0° | 120.0° |
| C20 | C21 | C22 | H27 | 118.5° | 120.0° |
| C20 | C21 | C22 | C23 | 157.6° | 142.0° |
| C20 | C21 | N7 | H28 | 98.6° | 27.8° |
| C20 | C21 | C22 | H29 | 37.6° | 22.0° |
| C20 | C21 | C22 | H30 | 82.4° | 98.0° |
| C21 | C20 | N9 | C29 | 158.8° | 0.2° |
| C21 | C20 | N9 | H44 | 21.3° | 179.9° |
| C20 | C21 | N7 | C10 | 81.4° | 152.2° |
| N7 | C21 | C22 | H27 | 120.4° | 120.0° |
| N7 | C21 | C22 | C23 | 36.6° | 22.0° |
| C21 | N7 | H28 | C10 | 180.0° | 180.0° |
| N7 | C21 | C22 | H29 | 83.4° | 98.0° |
| N7 | C21 | C22 | H30 | 156.6° | 142.0° |
| N7 | C21 | C20 | N9 | 155.1° | 67.7° |
| C21 | C22 | C23 | H29 | 120.0° | 120.0° |
| C21 | C22 | C23 | H30 | 120.0° | 120.1° |
| C21 | C22 | C23 | C24 | 169.7° | 147.8° |
| C22 | C21 | N7 | H28 | 22.5° | 92.1° |
| C21 | C22 | H29 | H30 | 120.0° | 120.1° |
| C21 | C22 | C23 | H31 | 70.3° | 92.2° |
| C21 | C22 | C23 | H32 | 49.7° | 27.8° |
| C22 | C21 | N7 | C10 | 157.6° | 87.8° |
| C22 | C21 | C20 | N9 | 83.0° | 172.2° |
| C22 | C23 | C24 | H31 | 120.0° | 120.0° |
| C22 | C23 | C24 | H32 | 120.0° | 120.1° |
| C22 | C23 | C24 | C25 | 116.4° | 166.5° |
| C23 | C22 | C21 | H27 | 83.8° | 98.0° |
| C23 | C22 | H29 | H30 | 120.0° | 120.0° |
| C22 | C23 | H31 | H32 | 120.0° | 120.0° |
| C22 | C23 | C24 | H33 | 123.6° | 46.5° |
| C22 | C23 | C24 | H34 | 3.6° | 73.5° |
| C23 | C24 | C25 | H33 | 120.0° | 119.9° |
| C23 | C24 | C25 | H34 | 120.0° | 120.0° |
| C23 | C24 | C25 | C26 | 174.7° | 114.3° |
| C24 | C23 | C22 | H29 | 49.7° | 27.8° |
| C24 | C23 | C22 | H30 | 70.3° | 92.1° |
| C24 | C23 | H31 | H32 | 120.0° | 119.9° |
| C23 | C24 | H33 | H34 | 120.0° | 120.0° |
| C23 | C24 | C25 | H35 | 54.7° | 125.8° |
| C23 | C24 | C25 | H36 | 65.3° | 5.8° |
| C24 | C25 | C26 | H35 | 120.0° | 119.9° |
| C24 | C25 | C26 | H36 | 120.0° | 120.1° |
| C24 | C25 | C26 | C27 | 99.9° | 134.9° |
| C25 | C24 | C23 | H31 | 3.6° | 73.5° |
| C25 | C24 | C23 | H32 | 123.6° | 46.4° |
| C25 | C24 | H33 | H34 | 120.0° | 120.1° |
| C24 | C25 | H35 | H36 | 120.0° | 120.0° |
| C24 | C25 | C26 | H37 | 140.1° | 15.0° |
| C24 | C25 | C26 | H38 | 20.1° | 105.1° |
| C25 | C26 | C27 | H37 | 120.0° | 120.0° |
| C25 | C26 | C27 | H38 | 120.0° | 120.0° |
| C25 | C26 | C27 | C28 | 152.3° | 158.6° |
| C26 | C25 | C24 | H33 | 65.3° | 5.7° |
| C26 | C25 | C24 | H34 | 54.7° | 125.8° |
| C26 | C25 | H35 | H36 | 120.0° | 120.0° |
| C25 | C26 | H37 | H38 | 120.0° | 120.0° |
| C25 | C26 | C27 | H39 | 87.7° | 38.6° |
| C25 | C26 | C27 | H40 | 32.3° | 81.4° |
| C26 | C27 | C28 | H39 | 120.0° | 120.0° |
| C26 | C27 | C28 | H40 | 120.0° | 120.0° |
| C26 | C27 | C28 | N8 | 156.8° | 167.9° |
| C27 | C26 | C25 | H35 | 20.1° | 105.1° |
| C27 | C26 | C25 | H36 | 140.1° | 14.9° |
| C27 | C26 | H37 | H38 | 120.0° | 120.0° |
| C26 | C27 | H39 | H40 | 120.0° | 120.0° |
| C26 | C27 | C28 | H41 | 36.6° | 48.1° |
| C26 | C27 | C28 | H42 | 83.0° | 72.1° |
| C27 | C28 | N8 | H41 | 120.3° | 119.9° |
| C27 | C28 | N8 | H42 | 120.2° | 119.9° |
| C28 | C27 | C26 | H37 | 32.3° | 81.4° |
| C28 | C27 | C26 | H38 | 87.7° | 38.6° |
| C28 | C27 | H39 | H40 | 120.0° | 120.0° |
| C27 | C28 | H41 | H42 | 119.3° | 120.2° |
| C27 | C28 | N8 | H43 | 159.6° | 50.3° |
| C27 | C28 | N8 | C53 | 20.4° | 129.8° |
| N8 | C28 | C27 | H39 | 83.2° | 72.1° |
| N8 | C28 | C27 | H40 | 36.8° | 48.0° |
| N8 | C28 | H41 | H42 | 119.3° | 120.4° |
| C28 | N8 | H43 | C53 | 180.0° | 179.9° |
| C28 | N8 | C53 | C52 | 98.6° | 179.2° |
| C28 | N8 | C53 | O9 | 87.3° | 0.3° |
| H27 | C21 | N7 | H28 | 142.4° | 147.8° |
| H27 | C21 | C22 | H29 | 156.2° | 142.0° |
| H27 | C21 | C22 | H30 | 36.2° | 22.0° |
| H27 | C21 | N7 | C10 | 37.6° | 32.2° |
| H27 | C21 | C20 | N9 | 35.6° | 52.2° |
| H29 | C22 | C23 | H31 | 169.7° | 147.8° |
| H29 | C22 | C23 | H32 | 70.3° | 92.2° |
| H30 | C22 | C23 | H31 | 49.7° | 27.9° |
| H30 | C22 | C23 | H32 | 169.7° | 147.8° |
| H31 | C23 | C24 | H33 | 116.4° | 166.5° |
| H31 | C23 | C24 | H34 | 123.6° | 46.5° |
| H32 | C23 | C24 | H33 | 3.6° | 73.6° |
| H32 | C23 | C24 | H34 | 116.4° | 166.4° |
| H33 | C24 | C25 | H35 | 174.7° | 114.3° |
| H33 | C24 | C25 | H36 | 54.7° | 125.7° |
| H34 | C24 | C25 | H35 | 65.3° | 5.8° |
| H34 | C24 | C25 | H36 | 174.7° | 114.2° |
| H35 | C25 | C26 | H37 | 99.9° | 134.9° |
| H35 | C25 | C26 | H38 | 140.1° | 14.9° |
| H36 | C25 | C26 | H37 | 20.1° | 105.1° |
| H36 | C25 | C26 | H38 | 99.9° | 134.9° |
| H37 | C26 | C27 | H39 | 152.3° | 158.6° |
| H37 | C26 | C27 | H40 | 87.7° | 38.6° |
| H38 | C26 | C27 | H39 | 32.3° | 81.4° |
| H38 | C26 | C27 | H40 | 152.3° | 158.6° |
| H39 | C27 | C28 | H41 | 156.5° | 168.1° |
| H39 | C27 | C28 | H42 | 37.0° | 47.9° |
| H40 | C27 | C28 | H41 | 83.5° | 71.9° |
| H40 | C27 | C28 | H42 | 157.0° | 167.9° |
| H41 | C28 | N8 | H43 | 39.4° | 170.2° |
| H41 | C28 | N8 | C53 | 140.6° | 9.9° |
| H42 | C28 | N8 | H43 | 80.1° | 69.6° |
| H42 | C28 | N8 | C53 | 99.8° | 110.4° |
| H43 | N8 | C53 | C52 | 81.4° | 0.9° |
| H43 | N8 | C53 | O9 | 92.7° | 179.8° |
| C29 | N9 | H44 | C20 | 180.0° | 179.9° |
| N9 | C29 | C30 | C31 | 123.0° | 119.9° |
| N9 | C29 | C30 | H45 | 118.5° | 119.9° |
| N9 | C29 | C31 | H45 | 120.1° | 120.1° |
| N9 | C29 | C30 | O5 | 43.6° | 73.2° |
| N9 | C29 | C31 | C32 | 168.2° | 81.6° |
| N9 | C29 | C31 | H46 | 47.5° | 38.4° |
| N9 | C29 | C31 | H47 | 71.2° | 158.4° |
| N9 | C29 | C30 | N10 | 135.4° | 107.0° |
| H44 | N9 | C29 | C30 | 121.8° | 68.4° |
| H44 | N9 | C29 | C31 | 0.7° | 51.6° |
| H44 | N9 | C29 | H45 | 120.3° | 171.7° |
| C30 | C29 | C31 | H45 | 118.6° | 120.1° |
| C29 | C30 | O5 | N10 | 178.9° | 179.9° |
| C30 | C29 | C31 | C32 | 70.5° | 158.6° |
| C30 | C29 | C31 | H46 | 168.8° | 81.3° |
| C30 | C29 | C31 | H47 | 50.1° | 38.6° |
| C29 | C30 | N10 | C38 | 174.8° | 177.2° |
| C29 | C30 | N10 | C42 | 6.2° | 2.7° |
| C30 | C29 | N9 | C20 | 58.2° | 111.6° |
| C31 | C29 | C30 | O5 | 79.4° | 166.9° |
| C29 | C31 | C32 | H46 | 120.6° | 120.0° |
| C29 | C31 | C32 | H47 | 120.6° | 120.0° |
| C29 | C31 | H46 | H47 | 118.0° | 120.0° |
| C29 | C31 | C32 | C33 | 87.3° | 90.0° |
| C29 | C31 | C32 | C34 | 92.6° | 90.3° |
| C31 | C29 | N9 | C20 | 179.3° | 128.5° |
| C31 | C29 | C30 | N10 | 101.7° | 13.0° |
| H45 | C29 | C30 | O5 | 162.1° | 46.8° |
| H45 | C29 | C31 | C32 | 48.1° | 38.5° |
| H45 | C29 | C31 | H46 | 72.5° | 158.5° |
| H45 | C29 | C31 | H47 | 168.7° | 81.5° |
| H45 | C29 | N9 | C20 | 59.7° | 8.4° |
| H45 | C29 | C30 | N10 | 16.9° | 133.1° |
| O5 | C30 | N10 | C38 | 4.1° | 2.9° |
| O5 | C30 | N10 | C42 | 174.9° | 177.2° |
| C32 | C31 | H46 | H47 | 118.1° | 120.0° |
| C31 | C32 | C33 | C34 | 179.9° | 179.7° |
| C31 | C32 | C33 | C35 | 179.9° | 180.0° |
| C31 | C32 | C33 | H48 | 0.1° | 0.0° |
| C31 | C32 | C34 | C36 | 179.8° | 180.0° |
| C31 | C32 | C34 | H49 | 0.2° | 0.0° |
| H46 | C31 | C32 | C33 | 33.4° | 30.0° |
| H46 | C31 | C32 | C34 | 146.8° | 149.7° |
| H47 | C31 | C32 | C33 | 152.1° | 150.0° |
| H47 | C31 | C32 | C34 | 28.0° | 29.7° |
| C32 | C33 | C35 | H48 | 180.0° | 180.0° |
| C33 | C32 | C34 | C36 | 0.0° | 0.3° |
| C33 | C32 | C34 | H49 | 179.9° | 179.7° |
| C32 | C33 | C35 | C37 | 0.0° | 0.0° |
| C32 | C33 | C35 | H50 | 180.0° | 180.0° |
| C34 | C32 | C33 | C35 | 0.0° | 0.2° |
| C34 | C32 | C33 | H48 | 179.9° | 179.7° |
| C32 | C34 | C36 | H49 | 180.0° | 180.0° |
| C32 | C34 | C36 | C37 | 0.2° | 0.1° |
| C32 | C34 | C36 | H51 | 179.8° | 179.9° |
| C33 | C35 | C37 | H50 | 180.0° | 179.9° |
| C33 | C35 | C37 | C36 | 0.2° | 0.2° |
| C33 | C35 | C37 | H52 | 179.8° | 179.9° |
| H48 | C33 | C35 | C37 | 180.0° | 180.0° |
| H48 | C33 | C35 | H50 | 0.0° | 0.1° |
| C34 | C36 | C37 | C35 | 0.3° | 0.2° |
| C34 | C36 | C37 | H51 | 180.0° | 179.9° |
| C34 | C36 | C37 | H52 | 179.7° | 180.0° |
| H49 | C34 | C36 | C37 | 179.7° | 179.9° |
| H49 | C34 | C36 | H51 | 0.2° | 0.1° |
| C35 | C37 | C36 | H52 | 180.0° | 179.8° |
| C35 | C37 | C36 | H51 | 179.7° | 179.7° |
| H50 | C35 | C37 | C36 | 179.8° | 179.8° |
| H50 | C35 | C37 | H52 | 0.2° | 0.0° |
| H51 | C36 | C37 | H52 | 0.3° | 0.2° |
| C38 | N10 | C42 | C30 | 179.1° | 179.9° |
| N10 | C38 | C39 | C40 | 115.1° | 118.9° |
| N10 | C38 | C39 | H53 | 123.9° | 120.6° |
| N10 | C38 | C40 | H53 | 117.9° | 118.0° |
| N10 | C38 | C39 | O6 | 49.8° | 29.0° |
| N10 | C38 | C40 | C41 | 24.6° | 15.9° |
| N10 | C38 | C40 | H54 | 94.7° | 103.1° |
| N10 | C38 | C40 | H55 | 143.8° | 135.0° |
| C38 | N10 | C42 | C41 | 14.8° | 15.3° |
| C38 | N10 | C42 | H58 | 133.8° | 104.3° |
| C38 | N10 | C42 | H59 | 104.1° | 135.1° |
| N10 | C38 | C39 | N11 | 129.7° | 151.0° |
| C42 | N10 | C38 | C39 | 125.1° | 140.3° |
| C42 | N10 | C38 | C40 | 5.8° | 19.6° |
| C42 | N10 | C38 | H53 | 111.4° | 98.3° |
| N10 | C42 | C41 | C40 | 30.3° | 5.0° |
| N10 | C42 | C41 | H58 | 118.9° | 119.7° |
| N10 | C42 | C41 | H59 | 119.0° | 119.7° |
| N10 | C42 | C41 | H56 | 149.7° | 114.3° |
| N10 | C42 | C41 | H57 | 89.1° | 124.2° |
| N10 | C42 | H58 | H59 | 123.0° | 120.7° |
| C39 | C38 | C40 | H53 | 121.1° | 121.4° |
| C38 | C39 | O6 | N11 | 179.5° | 180.0° |
| C39 | C38 | C40 | C41 | 145.6° | 136.5° |
| C39 | C38 | C40 | H54 | 26.3° | 17.5° |
| C39 | C38 | C40 | H55 | 95.2° | 104.4° |
| C38 | C39 | N11 | C43 | 176.8° | 92.2° |
| C38 | C39 | N11 | H60 | 3.2° | 87.8° |
| C39 | C38 | N10 | C30 | 54.1° | 39.6° |
| C40 | C38 | C39 | O6 | 65.2° | 89.8° |
| C38 | C40 | C41 | H54 | 119.3° | 119.0° |
| C38 | C40 | C41 | H55 | 119.2° | 119.1° |
| C38 | C40 | H54 | H55 | 122.2° | 121.9° |
| C38 | C40 | C41 | C42 | 34.5° | 6.6° |
| C38 | C40 | C41 | H56 | 153.9° | 125.8° |
| C38 | C40 | C41 | H57 | 84.8° | 112.6° |
| C40 | C38 | N10 | C30 | 173.3° | 160.3° |
| C40 | C38 | C39 | N11 | 115.3° | 90.2° |
| H53 | C38 | C39 | O6 | 173.8° | 149.6° |
| H53 | C38 | C40 | C41 | 93.3° | 102.1° |
| H53 | C38 | C40 | H54 | 147.4° | 138.9° |
| H53 | C38 | C40 | H55 | 25.9° | 17.0° |
| H53 | C38 | N10 | C30 | 69.4° | 81.8° |
| H53 | C38 | C39 | N11 | 5.7° | 30.4° |
| O6 | C39 | N11 | C43 | 3.7° | 87.8° |
| O6 | C39 | N11 | H60 | 176.3° | 92.2° |
| C41 | C40 | H54 | H55 | 122.2° | 121.9° |
| C40 | C41 | C42 | H56 | 119.4° | 119.2° |
| C40 | C41 | C42 | H57 | 119.4° | 119.2° |
| C40 | C41 | H56 | H57 | 121.8° | 121.6° |
| C40 | C41 | C42 | H58 | 149.2° | 114.7° |
| C40 | C41 | C42 | H59 | 88.7° | 124.7° |
| H54 | C40 | C41 | C42 | 84.7° | 112.4° |
| H54 | C40 | C41 | H56 | 34.7° | 6.8° |
| H54 | C40 | C41 | H57 | 155.9° | 128.4° |
| H55 | C40 | C41 | C42 | 153.8° | 125.7° |
| H55 | C40 | C41 | H56 | 86.8° | 115.1° |
| H55 | C40 | C41 | H57 | 34.4° | 6.5° |
| C42 | C41 | H56 | H57 | 121.8° | 121.6° |
| C41 | C42 | H58 | H59 | 123.0° | 120.6° |
| C41 | C42 | N10 | C30 | 166.0° | 164.5° |
| H56 | C41 | C42 | H58 | 91.4° | 126.1° |
| H56 | C41 | C42 | H59 | 30.7° | 5.5° |
| H57 | C41 | C42 | H58 | 29.8° | 4.5° |
| H57 | C41 | C42 | H59 | 151.9° | 116.1° |
| H58 | C42 | N10 | C30 | 47.1° | 75.8° |
| H59 | C42 | N10 | C30 | 75.0° | 44.8° |
| C43 | N11 | H60 | C39 | 180.0° | 180.0° |
| N11 | C43 | C44 | C45 | 125.0° | 119.8° |
| N11 | C43 | C44 | H61 | 118.7° | 119.8° |
| N11 | C43 | C45 | H61 | 117.2° | 120.2° |
| N11 | C43 | C44 | O7 | 168.7° | 5.1° |
| N11 | C43 | C45 | H62 | 180.0° | 65.0° |
| N11 | C43 | C45 | H63 | 60.0° | 175.0° |
| N11 | C43 | C45 | H64 | 60.0° | 55.1° |
| N11 | C43 | C44 | N12 | 11.1° | 174.9° |
| H60 | N11 | C43 | C44 | 104.0° | 64.2° |
| H60 | N11 | C43 | C45 | 130.9° | 55.7° |
| H60 | N11 | C43 | H61 | 14.2° | 176.0° |
| C44 | C43 | C45 | H61 | 116.2° | 120.3° |
| C43 | C44 | O7 | N12 | 179.8° | 180.0° |
| C44 | C43 | C45 | H62 | 53.4° | 54.5° |
| C44 | C43 | C45 | H63 | 173.4° | 65.5° |
| C44 | C43 | C45 | H64 | 66.6° | 174.5° |
| C43 | C44 | N12 | C46 | 174.8° | 179.7° |
| C43 | C44 | N12 | H65 | 5.2° | 0.3° |
| C44 | C43 | N11 | C39 | 76.0° | 115.8° |
| C45 | C43 | C44 | O7 | 43.7° | 124.9° |
| C43 | C45 | H62 | H63 | 120.0° | 120.0° |
| C43 | C45 | H62 | H64 | 120.0° | 120.1° |
| C43 | C45 | H63 | H64 | 120.0° | 120.0° |
| C45 | C43 | N11 | C39 | 49.1° | 124.3° |
| C45 | C43 | C44 | N12 | 136.1° | 55.1° |
| H61 | C43 | C44 | O7 | 72.6° | 114.7° |
| H61 | C43 | C45 | H62 | 62.8° | 174.8° |
| H61 | C43 | C45 | H63 | 57.2° | 54.7° |
| H61 | C43 | C45 | H64 | 177.2° | 65.2° |
| H61 | C43 | N11 | C39 | 165.8° | 4.0° |
| H61 | C43 | C44 | N12 | 107.6° | 65.3° |
| O7 | C44 | N12 | C46 | 5.4° | 0.2° |
| O7 | C44 | N12 | H65 | 174.6° | 179.7° |
| H62 | C45 | H63 | H64 | 120.0° | 120.0° |
| C46 | N12 | H65 | C44 | 180.0° | 179.9° |
| N12 | C46 | C47 | C48 | 120.8° | 119.7° |
| N12 | C46 | C47 | H66 | 119.8° | 119.9° |
| N12 | C46 | C48 | H66 | 120.3° | 120.4° |
| N12 | C46 | C47 | O8 | 26.5° | 29.8° |
| N12 | C46 | C48 | C49 | 177.1° | 175.1° |
| N12 | C46 | C48 | H67 | 56.4° | 64.9° |
| N12 | C46 | C48 | H68 | 62.1° | 55.1° |
| N12 | C46 | C47 | N16 | 159.6° | 150.1° |
| H65 | N12 | C46 | C47 | 112.4° | 45.7° |
| H65 | N12 | C46 | C48 | 8.6° | 165.4° |
| H65 | N12 | C46 | H66 | 128.3° | 74.2° |
| C47 | C46 | C48 | H66 | 119.4° | 120.4° |
| C46 | C47 | O8 | N16 | 169.9° | 179.9° |
| C47 | C46 | C48 | C49 | 62.5° | 55.9° |
| C47 | C46 | C48 | H67 | 176.7° | 175.9° |
| C47 | C46 | C48 | H68 | 58.3° | 64.1° |
| C46 | C47 | N16 | C52 | 173.9° | 178.9° |
| C46 | C47 | N16 | C56 | 24.6° | 1.1° |
| C47 | C46 | N12 | C44 | 67.6° | 134.4° |
| C48 | C46 | C47 | O8 | 94.3° | 89.9° |
| C46 | C48 | C49 | H67 | 120.8° | 120.0° |
| C46 | C48 | C49 | H68 | 120.8° | 120.0° |
| C46 | C48 | H67 | H68 | 117.6° | 120.0° |
| C46 | C48 | C49 | C50 | 170.0° | 175.9° |
| C46 | C48 | C49 | H69 | 49.7° | 56.0° |
| C46 | C48 | C49 | H70 | 69.6° | 64.1° |
| C48 | C46 | N12 | C44 | 171.4° | 14.6° |
| C48 | C46 | C47 | N16 | 79.6° | 90.2° |
| H66 | C46 | C47 | O8 | 146.3° | 149.7° |
| H66 | C46 | C48 | C49 | 56.9° | 64.5° |
| H66 | C46 | C48 | H67 | 63.9° | 55.5° |
| H66 | C46 | C48 | H68 | 177.6° | 175.5° |
| H66 | C46 | N12 | C44 | 51.7° | 105.8° |
| H66 | C46 | C47 | N16 | 39.8° | 30.2° |
| O8 | C47 | N16 | C52 | 14.9° | 1.0° |
| O8 | C47 | N16 | C56 | 164.2° | 179.0° |
| C49 | C48 | H67 | H68 | 117.6° | 120.0° |
| C48 | C49 | C50 | H69 | 120.3° | 119.9° |
| C48 | C49 | C50 | H70 | 120.3° | 120.0° |
| C48 | C49 | H69 | H70 | 119.0° | 120.0° |
| C48 | C49 | C50 | N13 | 178.6° | 180.0° |
| C48 | C49 | C50 | H71 | 61.2° | 60.0° |
| C48 | C49 | C50 | H72 | 58.3° | 60.0° |
| H67 | C48 | C49 | C50 | 69.2° | 64.1° |
| H67 | C48 | C49 | H69 | 170.5° | 175.9° |
| H67 | C48 | C49 | H70 | 51.1° | 55.9° |
| H68 | C48 | C49 | C50 | 49.3° | 55.9° |
| H68 | C48 | C49 | H69 | 71.0° | 64.1° |
| H68 | C48 | C49 | H70 | 169.6° | 175.9° |
| C50 | C49 | H69 | H70 | 119.0° | 120.0° |
| C49 | C50 | N13 | H71 | 120.3° | 120.0° |
| C49 | C50 | N13 | H72 | 120.3° | 120.0° |
| C49 | C50 | H71 | H72 | 119.1° | 120.0° |
| C49 | C50 | N13 | C51 | 140.4° | 180.0° |
| C49 | C50 | N13 | H73 | 39.6° | 0.0° |
| H69 | C49 | C50 | N13 | 58.2° | 60.0° |
| H69 | C49 | C50 | H71 | 178.5° | 180.0° |
| H69 | C49 | C50 | H72 | 62.1° | 59.9° |
| H70 | C49 | C50 | N13 | 61.1° | 60.0° |
| H70 | C49 | C50 | H71 | 59.2° | 60.0° |
| H70 | C49 | C50 | H72 | 178.6° | 180.0° |
| N13 | C50 | H71 | H72 | 119.1° | 120.0° |
| C50 | N13 | C51 | H73 | 180.0° | 180.0° |
| C50 | N13 | C51 | N14 | 0.0° | 0.0° |
| C50 | N13 | C51 | N15 | 180.0° | 180.0° |
| H71 | C50 | N13 | C51 | 20.1° | 60.0° |
| H71 | C50 | N13 | H73 | 159.9° | 119.9° |
| H72 | C50 | N13 | C51 | 99.4° | 60.0° |
| H72 | C50 | N13 | H73 | 80.7° | 120.0° |
| N13 | C51 | N14 | N15 | 179.9° | 180.0° |
| N13 | C51 | N14 | H74 | 179.9° | 0.0° |
| N13 | C51 | N14 | H75 | 0.0° | 180.0° |
| N13 | C51 | N15 | H76 | 179.9° | 180.0° |
| N13 | C51 | N15 | H77 | 0.1° | 0.0° |
| H73 | N13 | C51 | N14 | 179.9° | 179.9° |
| H73 | N13 | C51 | N15 | 0.0° | 0.0° |
| C51 | N14 | H74 | H75 | 180.0° | 180.0° |
| N14 | C51 | N15 | H76 | 0.0° | 0.0° |
| N14 | C51 | N15 | H77 | 180.0° | 180.0° |
| N15 | C51 | N14 | H74 | 0.0° | 180.0° |
| N15 | C51 | N14 | H75 | 180.0° | 0.0° |
| C51 | N15 | H76 | H77 | 180.0° | 180.0° |
| C52 | N16 | C56 | C47 | 147.0° | 180.0° |
| N16 | C52 | C53 | C54 | 113.9° | 119.3° |
| N16 | C52 | C53 | H78 | 124.2° | 120.7° |
| N16 | C52 | C54 | H78 | 118.7° | 119.7° |
| N16 | C52 | C53 | O9 | 34.7° | 57.7° |
| N16 | C52 | C54 | C55 | 27.5° | 15.4° |
| N16 | C52 | C54 | H79 | 146.7° | 103.7° |
| N16 | C52 | C54 | H80 | 91.7° | 134.5° |
| C52 | N16 | C56 | C55 | 9.6° | 3.9° |
| C52 | N16 | C56 | H83 | 109.4° | 115.9° |
| C52 | N16 | C56 | H84 | 128.6° | 123.8° |
| N16 | C52 | C53 | N8 | 151.7° | 121.2° |
| C56 | N16 | C52 | C53 | 107.2° | 132.4° |
| C56 | N16 | C52 | C54 | 11.0° | 12.1° |
| C56 | N16 | C52 | H78 | 129.0° | 107.7° |
| N16 | C56 | C55 | C54 | 27.2° | 5.8° |
| N16 | C56 | C55 | H83 | 119.0° | 119.8° |
| N16 | C56 | C55 | H84 | 119.0° | 119.8° |
| N16 | C56 | C55 | H81 | 92.2° | 124.8° |
| N16 | C56 | C55 | H82 | 146.6° | 113.2° |
| N16 | C56 | H83 | H84 | 122.9° | 120.3° |
| C53 | C52 | C54 | H78 | 121.9° | 119.1° |
| C52 | C53 | O9 | N8 | 175.0° | 178.9° |
| C53 | C52 | C54 | C55 | 91.9° | 136.6° |
| C53 | C52 | C54 | H79 | 27.3° | 17.5° |
| C53 | C52 | C54 | H80 | 148.9° | 104.4° |
| C53 | C52 | N16 | C47 | 91.9° | 47.6° |
| C54 | C52 | C53 | O9 | 79.2° | 61.6° |
| C52 | C54 | C55 | H79 | 119.2° | 119.1° |
| C52 | C54 | C55 | H80 | 119.2° | 119.0° |
| C52 | C54 | H79 | H80 | 122.4° | 121.8° |
| C52 | C54 | C55 | C56 | 34.5° | 12.7° |
| C52 | C54 | C55 | H81 | 84.9° | 131.7° |
| C52 | C54 | C55 | H82 | 153.9° | 106.4° |
| C54 | C52 | C53 | N8 | 94.5° | 119.4° |
| C54 | C52 | N16 | C47 | 149.9° | 167.9° |
| H78 | C52 | C53 | O9 | 158.9° | 178.4° |
| H78 | C52 | C54 | C55 | 146.2° | 104.3° |
| H78 | C52 | C54 | H79 | 94.6° | 136.6° |
| H78 | C52 | C54 | H80 | 27.0° | 14.8° |
| H78 | C52 | C53 | N8 | 27.4° | 0.6° |
| H78 | C52 | N16 | C47 | 31.9° | 72.3° |
| C55 | C54 | H79 | H80 | 122.3° | 121.9° |
| C54 | C55 | C56 | H81 | 119.4° | 119.0° |
| C54 | C55 | C56 | H82 | 119.4° | 119.1° |
| C54 | C55 | H81 | H82 | 121.6° | 121.8° |
| C54 | C55 | C56 | H83 | 91.8° | 125.6° |
| C54 | C55 | C56 | H84 | 146.1° | 114.0° |
| H79 | C54 | C55 | C56 | 153.7° | 106.3° |
| H79 | C54 | C55 | H81 | 34.3° | 12.6° |
| H79 | C54 | C55 | H82 | 86.9° | 134.5° |
| H80 | C54 | C55 | C56 | 84.7° | 131.8° |
| H80 | C54 | C55 | H81 | 155.9° | 109.2° |
| H80 | C54 | C55 | H82 | 34.7° | 12.6° |
| C56 | C55 | H81 | H82 | 121.7° | 121.9° |
| C55 | C56 | H83 | H84 | 122.9° | 120.5° |
| C55 | C56 | N16 | C47 | 156.6° | 176.2° |
| H81 | C55 | C56 | H83 | 148.8° | 115.4° |
| H81 | C55 | C56 | H84 | 26.7° | 5.0° |
| H82 | C55 | C56 | H83 | 27.6° | 6.5° |
| H82 | C55 | C56 | H84 | 94.4° | 126.9° |
| H83 | C56 | N16 | C47 | 37.6° | 64.0° |
| H84 | C56 | N16 | C47 | 84.4° | 56.3° |
