PRD_001193
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 0.00Å | |
| N1 | H1 | sing | 1.01Å | 0.00Å | |
| N1 | H2 | sing | 1.01Å | 0.00Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C1 | C3 | sing | 1.53Å | 0.00Å | |
| C1 | H3 | sing | 1.09Å | 0.00Å | |
| C2 | O1 | doub | 1.21Å | 0.00Å | |
| C3 | H4 | sing | 1.09Å | 0.00Å | |
| C3 | H5 | sing | 1.09Å | 0.00Å | |
| C3 | H6 | sing | 1.09Å | 0.00Å | |
| N2 | C4 | sing | 1.46Å | 0.00Å | |
| N2 | H7 | sing | 0.97Å | 0.00Å | |
| C4 | C5 | sing | 1.51Å | 0.00Å | |
| C4 | C6 | sing | 1.53Å | 0.00Å | |
| C4 | H8 | sing | 1.09Å | 0.00Å | |
| C5 | O2 | doub | 1.21Å | 0.00Å | |
| C6 | C7 | sing | 1.51Å | 0.00Å | |
| C6 | H9 | sing | 1.09Å | 0.00Å | |
| C6 | H10 | sing | 1.09Å | 0.00Å | |
| C7 | O3 | doub | 1.21Å | 0.00Å | |
| C7 | N3 | sing | 1.35Å | 0.00Å | |
| N3 | H11 | sing | 0.97Å | 0.00Å | |
| N3 | H12 | sing | 0.97Å | 0.00Å | |
| N4 | C8 | sing | 1.47Å | 0.00Å | |
| N4 | H13 | sing | 0.97Å | 0.00Å | |
| C8 | C9 | sing | 1.51Å | 0.00Å | |
| C8 | C10 | sing | 1.53Å | 0.00Å | |
| C8 | H14 | sing | 1.09Å | 0.00Å | |
| C9 | O4 | doub | 1.21Å | 0.00Å | |
| C10 | O5 | sing | 1.43Å | 0.00Å | |
| C10 | H15 | sing | 1.09Å | 0.00Å | |
| C10 | H16 | sing | 1.09Å | 0.00Å | |
| O5 | H17 | sing | 0.97Å | 0.00Å | |
| N5 | C11 | sing | 1.47Å | 0.00Å | |
| N5 | H18 | sing | 0.97Å | 0.00Å | |
| C11 | C12 | sing | 1.51Å | 0.00Å | |
| C11 | C13 | sing | 1.53Å | 0.00Å | |
| C11 | H19 | sing | 1.09Å | 0.00Å | |
| C12 | O6 | doub | 1.21Å | 0.00Å | |
| C13 | C14 | sing | 1.53Å | 0.00Å | |
| C13 | H20 | sing | 1.09Å | 0.00Å | |
| C13 | H21 | sing | 1.09Å | 0.00Å | |
| C14 | C15 | sing | 1.53Å | 0.00Å | |
| C14 | H22 | sing | 1.09Å | 0.00Å | |
| C14 | H23 | sing | 1.09Å | 0.00Å | |
| C15 | N6 | sing | 1.46Å | 0.00Å | |
| C15 | H24 | sing | 1.09Å | 0.00Å | |
| C15 | H25 | sing | 1.09Å | 0.00Å | |
| N6 | C16 | sing | 1.37Å | 0.00Å | |
| N6 | H26 | sing | 0.97Å | 0.00Å | |
| C16 | N7 | sing | 1.33Å | 0.00Å | |
| C16 | N8 | doub | 1.33Å | 0.00Å | |
| N7 | H27 | sing | 0.97Å | 0.00Å | |
| N7 | H28 | sing | 0.97Å | 0.00Å | |
| N8 | H29 | sing | 0.97Å | 0.00Å | |
| N8 | H30 | sing | 0.97Å | 0.00Å | |
| N9 | C17 | sing | 1.47Å | 1.46Å | |
| N9 | H31 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | O7 | doub | 1.21Å | 1.23Å | |
| C19 | C20 | sing | 1.51Å | 1.50Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | doub | 1.34Å | 1.37Å | Aromatic |
| C20 | C22 | sing | 1.46Å | 1.43Å | Aromatic |
| C21 | N10 | sing | 1.37Å | 1.38Å | Aromatic |
| C21 | H35 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | doub | 1.41Å | 1.41Å | Aromatic |
| C22 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| N10 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| N10 | H36 | sing | 0.97Å | 1.00Å | |
| C23 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C26 | doub | 1.37Å | 1.39Å | Aromatic |
| C24 | H37 | sing | 1.08Å | 1.08Å | |
| C25 | C27 | doub | 1.38Å | 1.37Å | Aromatic |
| C25 | H38 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | H39 | sing | 1.08Å | 1.08Å | |
| C27 | H40 | sing | 1.08Å | 1.08Å | |
| N11 | C28 | sing | 1.47Å | 1.46Å | |
| N11 | C32 | sing | 1.47Å | 1.47Å | |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C28 | C30 | sing | 1.54Å | 1.53Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | O8 | doub | 1.21Å | 1.24Å | |
| C30 | C31 | sing | 1.55Å | 1.49Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.55Å | 1.51Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C32 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å | |
| N12 | C33 | sing | 1.47Å | 1.46Å | |
| N12 | H48 | sing | 0.97Å | 1.00Å | |
| C33 | C34 | sing | 1.51Å | 1.51Å | |
| C33 | C35 | sing | 1.53Å | 1.53Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| C34 | O9 | doub | 1.21Å | 1.23Å | |
| C35 | O10 | sing | 1.43Å | 1.43Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | H50 | sing | 1.09Å | 1.10Å | |
| O10 | H51 | sing | 0.97Å | 0.95Å | |
| C36 | H52 | sing | 1.09Å | 1.10Å | |
| C36 | H53 | sing | 1.09Å | 1.10Å | |
| C36 | H54 | sing | 1.09Å | 1.10Å | |
| N13 | C37 | sing | 1.46Å | 1.46Å | |
| N13 | H55 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.51Å | 1.52Å | |
| C37 | C39 | sing | 1.53Å | 1.54Å | |
| C37 | H56 | sing | 1.09Å | 1.10Å | |
| C38 | O11 | doub | 1.21Å | 1.24Å | |
| C39 | O12 | sing | 1.43Å | 1.42Å | |
| C39 | H57 | sing | 1.09Å | 1.10Å | |
| C39 | H58 | sing | 1.09Å | 1.10Å | |
| O12 | H59 | sing | 0.97Å | 0.95Å | |
| C40 | N14 | sing | 1.46Å | 1.46Å | |
| C40 | C41 | sing | 1.51Å | 1.51Å | |
| C40 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | O13 | doub | 1.21Å | 1.24Å | |
| C43 | C42 | sing | 1.53Å | 1.51Å | |
| C43 | C44 | sing | 1.53Å | 1.51Å | |
| C44 | C45 | sing | 1.53Å | 1.52Å | |
| C45 | N15 | sing | 1.47Å | 1.49Å | |
| N15 | C46 | sing | 1.35Å | 1.46Å | |
| C48 | C49 | doub | 1.38Å | 1.38Å | Aromatic |
| C48 | C47 | sing | 1.40Å | 1.38Å | Aromatic |
| C46 | O14 | doub | 1.22Å | 1.26Å | |
| C46 | C47 | sing | 1.48Å | 1.48Å | |
| C49 | C50 | sing | 1.39Å | 1.39Å | Aromatic |
| C47 | C52 | doub | 1.40Å | 1.39Å | Aromatic |
| C50 | F1 | sing | 1.35Å | 1.33Å | |
| C50 | C51 | doub | 1.39Å | 1.39Å | Aromatic |
| C52 | C51 | sing | 1.38Å | 1.39Å | Aromatic |
| N14 | H60 | sing | 0.97Å | 1.00Å | |
| C40 | H61 | sing | 1.09Å | 1.10Å | |
| C42 | H62 | sing | 1.09Å | 1.10Å | |
| C42 | H63 | sing | 1.09Å | 1.10Å | |
| C43 | H64 | sing | 1.09Å | 1.10Å | |
| C43 | H65 | sing | 1.09Å | 1.10Å | |
| C44 | H66 | sing | 1.09Å | 1.10Å | |
| C44 | H67 | sing | 1.09Å | 1.10Å | |
| C45 | H68 | sing | 1.09Å | 1.10Å | |
| C45 | H69 | sing | 1.09Å | 1.10Å | |
| N15 | H70 | sing | 0.97Å | 1.00Å | |
| C48 | H71 | sing | 1.08Å | 1.08Å | |
| C49 | H72 | sing | 1.08Å | 1.08Å | |
| C51 | H73 | sing | 1.08Å | 1.08Å | |
| C52 | H74 | sing | 1.08Å | 1.08Å | |
| N16 | C53 | sing | 1.47Å | 1.46Å | |
| N16 | H75 | sing | 0.97Å | 1.00Å | |
| C53 | C54 | sing | 1.51Å | 1.52Å | |
| C53 | C55 | sing | 1.53Å | 1.55Å | |
| C53 | H76 | sing | 1.09Å | 1.10Å | |
| C54 | O15 | doub | 1.21Å | 1.24Å | |
| C54 | O16 | sing | 1.34Å | 1.23Å | |
| C55 | C56 | sing | 1.53Å | 1.53Å | |
| C55 | C57 | sing | 1.53Å | 1.53Å | |
| C55 | H77 | sing | 1.09Å | 1.10Å | |
| C56 | C58 | sing | 1.53Å | 1.53Å | |
| C56 | H78 | sing | 1.09Å | 1.10Å | |
| C56 | H79 | sing | 1.09Å | 1.10Å | |
| C57 | H80 | sing | 1.09Å | 1.10Å | |
| C57 | H81 | sing | 1.09Å | 1.10Å | |
| C57 | H82 | sing | 1.09Å | 1.10Å | |
| C58 | H83 | sing | 1.09Å | 1.10Å | |
| C58 | H84 | sing | 1.09Å | 1.10Å | |
| C58 | H85 | sing | 1.09Å | 1.10Å | |
| O16 | H86 | sing | 0.97Å | 0.95Å | |
| C2 | N2 | sing | 1.35Å | 0.00Å | |
| C5 | N4 | sing | 1.35Å | 0.00Å | |
| C9 | N5 | sing | 1.35Å | 0.00Å | |
| C12 | N9 | sing | 1.35Å | 36.43Å | |
| C18 | N11 | sing | 1.35Å | 1.34Å | |
| C29 | N12 | sing | 1.35Å | 1.33Å | |
| C34 | N13 | sing | 1.35Å | 1.33Å | |
| C38 | N14 | sing | 1.35Å | 1.33Å | |
| C41 | N16 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 90.0° | 111.1° |
| C1 | N1 | H2 | 90.0° | 111.0° |
| N1 | C1 | C2 | 90.0° | 109.4° |
| N1 | C1 | C3 | 90.0° | 109.5° |
| N1 | C1 | H3 | 90.0° | 109.5° |
| H1 | N1 | H2 | 90.0° | 111.0° |
| C2 | C1 | C3 | 90.0° | 109.5° |
| C2 | C1 | H3 | 90.0° | 109.5° |
| C1 | C2 | O1 | 90.0° | 120.0° |
| C1 | C2 | N2 | 90.0° | 120.0° |
| C3 | C1 | H3 | 90.0° | 109.5° |
| C1 | C3 | H4 | 90.0° | 109.4° |
| C1 | C3 | H5 | 90.0° | 109.4° |
| C1 | C3 | H6 | 90.0° | 109.5° |
| O1 | C2 | N2 | 90.0° | 120.0° |
| H4 | C3 | H5 | 90.0° | 109.5° |
| H4 | C3 | H6 | 90.0° | 109.5° |
| H5 | C3 | H6 | 90.0° | 109.5° |
| C4 | N2 | H7 | 90.0° | 120.0° |
| N2 | C4 | C5 | 90.0° | 109.4° |
| N2 | C4 | C6 | 90.0° | 109.5° |
| N2 | C4 | H8 | 90.0° | 109.5° |
| C4 | N2 | C2 | 90.0° | 120.0° |
| H7 | N2 | C2 | 90.0° | 120.0° |
| C5 | C4 | C6 | 90.0° | 109.5° |
| C5 | C4 | H8 | 90.0° | 109.5° |
| C4 | C5 | O2 | 90.0° | 120.0° |
| C4 | C5 | N4 | 90.0° | 120.0° |
| C6 | C4 | H8 | 90.0° | 109.5° |
| C4 | C6 | C7 | 90.0° | 109.5° |
| C4 | C6 | H9 | 90.0° | 109.5° |
| C4 | C6 | H10 | 90.0° | 109.5° |
| O2 | C5 | N4 | 90.0° | 120.0° |
| C7 | C6 | H9 | 90.0° | 109.5° |
| C7 | C6 | H10 | 90.0° | 109.5° |
| C6 | C7 | O3 | 90.0° | 119.9° |
| C6 | C7 | N3 | 90.0° | 120.1° |
| H9 | C6 | H10 | 90.0° | 109.4° |
| O3 | C7 | N3 | 90.0° | 120.0° |
| C7 | N3 | H11 | 90.0° | 119.9° |
| C7 | N3 | H12 | 90.0° | 120.0° |
| H11 | N3 | H12 | 90.0° | 120.1° |
| C8 | N4 | H13 | 90.0° | 120.0° |
| N4 | C8 | C9 | 90.0° | 109.5° |
| N4 | C8 | C10 | 90.0° | 109.5° |
| N4 | C8 | H14 | 90.0° | 109.4° |
| C8 | N4 | C5 | 90.0° | 120.0° |
| H13 | N4 | C5 | 90.0° | 120.0° |
| C9 | C8 | C10 | 90.0° | 109.5° |
| C9 | C8 | H14 | 90.0° | 109.5° |
| C8 | C9 | O4 | 90.0° | 120.0° |
| C8 | C9 | N5 | 90.0° | 120.0° |
| C10 | C8 | H14 | 90.0° | 109.5° |
| C8 | C10 | O5 | 90.0° | 109.5° |
| C8 | C10 | H15 | 90.0° | 109.5° |
| C8 | C10 | H16 | 90.0° | 109.5° |
| O4 | C9 | N5 | 90.0° | 120.0° |
| O5 | C10 | H15 | 90.0° | 109.5° |
| O5 | C10 | H16 | 90.0° | 109.4° |
| C10 | O5 | H17 | 90.0° | 114.0° |
| H15 | C10 | H16 | 90.0° | 109.5° |
| C11 | N5 | H18 | 90.0° | 120.0° |
| N5 | C11 | C12 | 90.0° | 109.5° |
| N5 | C11 | C13 | 90.0° | 109.5° |
| N5 | C11 | H19 | 90.0° | 109.5° |
| C11 | N5 | C9 | 90.0° | 120.0° |
| H18 | N5 | C9 | 90.0° | 120.0° |
| C12 | C11 | C13 | 90.0° | 109.5° |
| C12 | C11 | H19 | 90.0° | 109.4° |
| C11 | C12 | O6 | 90.0° | 120.0° |
| C11 | C12 | N9 | 90.0° | 120.0° |
| C13 | C11 | H19 | 90.0° | 109.5° |
| C11 | C13 | C14 | 90.0° | 109.4° |
| C11 | C13 | H20 | 90.0° | 109.5° |
| C11 | C13 | H21 | 90.0° | 109.4° |
| O6 | C12 | N9 | 90.0° | 120.0° |
| C14 | C13 | H20 | 90.0° | 109.5° |
| C14 | C13 | H21 | 90.0° | 109.5° |
| C13 | C14 | C15 | 90.0° | 109.5° |
| C13 | C14 | H22 | 90.0° | 109.5° |
| C13 | C14 | H23 | 90.0° | 109.5° |
| H20 | C13 | H21 | 90.0° | 109.5° |
| C15 | C14 | H22 | 90.0° | 109.4° |
| C15 | C14 | H23 | 90.0° | 109.4° |
| C14 | C15 | N6 | 90.0° | 109.5° |
| C14 | C15 | H24 | 90.0° | 109.4° |
| C14 | C15 | H25 | 90.0° | 109.5° |
| H22 | C14 | H23 | 90.0° | 109.5° |
| N6 | C15 | H24 | 90.0° | 109.5° |
| N6 | C15 | H25 | 90.0° | 109.5° |
| C15 | N6 | C16 | 90.0° | 120.0° |
| C15 | N6 | H26 | 90.0° | 120.0° |
| H24 | C15 | H25 | 90.0° | 109.5° |
| C16 | N6 | H26 | 90.0° | 120.0° |
| N6 | C16 | N7 | 90.0° | 120.0° |
| N6 | C16 | N8 | 90.0° | 120.0° |
| N7 | C16 | N8 | 90.0° | 120.0° |
| C16 | N7 | H27 | 90.0° | 120.0° |
| C16 | N7 | H28 | 90.0° | 120.0° |
| C16 | N8 | H29 | 90.0° | 120.0° |
| C16 | N8 | H30 | 90.0° | 120.0° |
| H27 | N7 | H28 | 90.0° | 120.0° |
| H29 | N8 | H30 | 90.0° | 120.0° |
| C17 | N9 | H31 | 140.3° | 120.0° |
| N9 | C17 | C18 | 111.1° | 109.5° |
| N9 | C17 | C19 | 110.8° | 109.4° |
| N9 | C17 | H32 | 109.5° | 109.5° |
| C17 | N9 | C12 | 79.4° | 120.0° |
| H31 | N9 | C12 | 140.3° | 120.0° |
| C18 | C17 | C19 | 108.1° | 109.5° |
| C18 | C17 | H32 | 108.7° | 109.4° |
| C17 | C18 | O7 | 120.5° | 120.0° |
| C17 | C18 | N11 | 116.8° | 120.0° |
| C19 | C17 | H32 | 108.6° | 109.5° |
| C17 | C19 | C20 | 115.5° | 109.4° |
| C17 | C19 | H33 | 107.9° | 109.5° |
| C17 | C19 | H34 | 107.9° | 109.4° |
| O7 | C18 | N11 | 122.7° | 120.0° |
| C20 | C19 | H33 | 107.9° | 109.5° |
| C20 | C19 | H34 | 107.9° | 109.4° |
| C19 | C20 | C21 | 127.4° | 126.6° |
| C19 | C20 | C22 | 126.2° | 126.4° |
| H33 | C19 | H34 | 109.5° | 109.5° |
| C21 | C20 | C22 | 106.4° | 107.0° |
| C20 | C21 | N10 | 109.9° | 110.0° |
| C20 | C21 | H35 | 125.1° | 125.0° |
| C20 | C22 | C23 | 107.3° | 106.0° |
| C20 | C22 | C24 | 133.8° | 134.1° |
| N10 | C21 | H35 | 125.0° | 125.1° |
| C21 | N10 | C23 | 108.9° | 109.9° |
| C21 | N10 | H36 | 125.5° | 125.1° |
| C23 | C22 | C24 | 118.9° | 119.9° |
| C22 | C23 | N10 | 107.5° | 107.1° |
| C22 | C23 | C25 | 122.3° | 119.3° |
| C22 | C24 | C26 | 118.7° | 119.8° |
| C22 | C24 | H37 | 120.6° | 120.1° |
| C23 | N10 | H36 | 125.6° | 125.1° |
| N10 | C23 | C25 | 130.2° | 133.5° |
| C23 | C25 | C27 | 117.5° | 119.8° |
| C23 | C25 | H38 | 121.2° | 120.1° |
| C26 | C24 | H37 | 120.6° | 120.1° |
| C24 | C26 | C27 | 121.1° | 120.5° |
| C24 | C26 | H39 | 119.5° | 119.7° |
| C27 | C25 | H38 | 121.3° | 120.1° |
| C25 | C27 | C26 | 121.5° | 120.7° |
| C25 | C27 | H40 | 119.3° | 119.7° |
| C27 | C26 | H39 | 119.5° | 119.8° |
| C26 | C27 | H40 | 119.2° | 119.6° |
| C28 | N11 | C32 | 111.7° | 108.7° |
| N11 | C28 | C29 | 111.9° | 109.9° |
| N11 | C28 | C30 | 103.0° | 107.3° |
| N11 | C28 | H41 | 111.4° | 109.9° |
| C28 | N11 | C18 | 121.6° | 125.6° |
| N11 | C32 | C31 | 103.0° | 104.7° |
| N11 | C32 | H46 | 111.1° | 110.3° |
| N11 | C32 | H47 | 111.1° | 110.3° |
| C32 | N11 | C18 | 126.6° | 125.7° |
| C29 | C28 | C30 | 109.6° | 109.8° |
| C29 | C28 | H41 | 110.4° | 109.9° |
| C28 | C29 | O8 | 121.2° | 120.0° |
| C28 | C29 | N12 | 115.5° | 120.0° |
| C30 | C28 | H41 | 110.4° | 110.0° |
| C28 | C30 | C31 | 103.9° | 103.0° |
| C28 | C30 | H42 | 110.9° | 110.7° |
| C28 | C30 | H43 | 110.9° | 110.7° |
| O8 | C29 | N12 | 123.3° | 120.0° |
| C31 | C30 | H42 | 110.8° | 110.7° |
| C31 | C30 | H43 | 110.8° | 110.7° |
| C30 | C31 | C32 | 104.5° | 101.5° |
| C30 | C31 | H44 | 110.7° | 111.0° |
| C30 | C31 | H45 | 110.7° | 111.0° |
| H42 | C30 | H43 | 109.5° | 110.8° |
| C32 | C31 | H44 | 110.7° | 111.2° |
| C32 | C31 | H45 | 110.7° | 110.9° |
| C31 | C32 | H46 | 111.1° | 110.5° |
| C31 | C32 | H47 | 111.1° | 110.4° |
| H44 | C31 | H45 | 109.5° | 110.9° |
| H46 | C32 | H47 | 109.5° | 110.4° |
| C33 | N12 | H48 | 119.2° | 120.0° |
| N12 | C33 | C34 | 108.5° | 109.5° |
| N12 | C33 | C35 | 111.4° | 109.4° |
| N12 | C33 | H49 | 110.0° | 109.4° |
| C33 | N12 | C29 | 121.7° | 120.0° |
| H48 | N12 | C29 | 119.2° | 120.0° |
| C34 | C33 | C35 | 108.7° | 109.5° |
| C34 | C33 | H49 | 109.3° | 109.5° |
| C33 | C34 | O9 | 120.2° | 120.0° |
| C33 | C34 | N13 | 116.8° | 120.0° |
| C35 | C33 | H49 | 109.0° | 109.5° |
| C33 | C35 | O10 | 109.2° | 109.5° |
| C33 | C35 | C36 | 110.5° | 109.5° |
| C33 | C35 | H50 | 108.9° | 109.5° |
| O9 | C34 | N13 | 122.9° | 120.0° |
| O10 | C35 | C36 | 109.0° | 109.4° |
| O10 | C35 | H50 | 110.2° | 109.5° |
| C35 | O10 | H51 | 109.5° | 113.9° |
| C36 | C35 | H50 | 108.9° | 109.5° |
| C35 | C36 | H52 | 109.5° | 109.5° |
| C35 | C36 | H53 | 109.5° | 109.4° |
| C35 | C36 | H54 | 109.4° | 109.4° |
| H52 | C36 | H53 | 109.5° | 109.5° |
| H52 | C36 | H54 | 109.5° | 109.5° |
| H53 | C36 | H54 | 109.5° | 109.4° |
| C37 | N13 | H55 | 119.4° | 120.0° |
| N13 | C37 | C38 | 108.5° | 109.5° |
| N13 | C37 | C39 | 110.9° | 109.5° |
| N13 | C37 | H56 | 110.0° | 109.4° |
| C37 | N13 | C34 | 121.1° | 120.0° |
| H55 | N13 | C34 | 119.4° | 120.0° |
| C38 | C37 | C39 | 109.3° | 109.4° |
| C38 | C37 | H56 | 109.1° | 109.5° |
| C37 | C38 | O11 | 120.3° | 120.0° |
| C37 | C38 | N14 | 116.9° | 120.0° |
| C39 | C37 | H56 | 108.9° | 109.5° |
| C37 | C39 | O12 | 111.1° | 109.5° |
| C37 | C39 | H57 | 109.1° | 109.5° |
| C37 | C39 | H58 | 109.0° | 109.5° |
| O11 | C38 | N14 | 122.8° | 120.0° |
| O12 | C39 | H57 | 109.1° | 109.5° |
| O12 | C39 | H58 | 109.1° | 109.4° |
| C39 | O12 | H59 | 109.5° | 114.0° |
| H57 | C39 | H58 | 109.5° | 109.4° |
| N14 | C40 | C41 | 107.4° | 109.5° |
| N14 | C40 | C42 | 111.7° | 109.5° |
| C40 | N14 | H60 | 119.6° | 120.0° |
| N14 | C40 | H61 | 110.2° | 109.5° |
| C40 | N14 | C38 | 120.9° | 120.0° |
| C41 | C40 | C42 | 108.8° | 109.5° |
| C40 | C41 | O13 | 120.0° | 120.0° |
| C41 | C40 | H61 | 109.5° | 109.5° |
| C40 | C41 | N16 | 115.9° | 120.0° |
| C40 | C42 | C43 | 114.1° | 109.4° |
| C42 | C40 | H61 | 109.2° | 109.5° |
| C40 | C42 | H62 | 108.3° | 109.5° |
| C40 | C42 | H63 | 108.3° | 109.5° |
| O13 | C41 | N16 | 124.0° | 120.0° |
| C42 | C43 | C44 | 110.2° | 109.5° |
| C43 | C42 | H62 | 108.3° | 109.5° |
| C43 | C42 | H63 | 108.3° | 109.4° |
| C42 | C43 | H64 | 109.3° | 109.5° |
| C42 | C43 | H65 | 109.3° | 109.5° |
| C43 | C44 | C45 | 111.6° | 109.5° |
| C44 | C43 | H64 | 109.3° | 109.5° |
| C44 | C43 | H65 | 109.3° | 109.5° |
| C43 | C44 | H66 | 108.9° | 109.5° |
| C43 | C44 | H67 | 109.0° | 109.5° |
| C44 | C45 | N15 | 110.5° | 109.5° |
| C45 | C44 | H66 | 108.9° | 109.5° |
| C45 | C44 | H67 | 108.9° | 109.5° |
| C44 | C45 | H68 | 109.2° | 109.5° |
| C44 | C45 | H69 | 109.2° | 109.5° |
| C45 | N15 | C46 | 121.3° | 120.0° |
| N15 | C45 | H68 | 109.2° | 109.5° |
| N15 | C45 | H69 | 109.2° | 109.4° |
| C45 | N15 | H70 | 119.3° | 119.9° |
| N15 | C46 | O14 | 120.5° | 120.0° |
| N15 | C46 | C47 | 119.9° | 120.0° |
| C46 | N15 | H70 | 119.3° | 120.0° |
| C49 | C48 | C47 | 119.7° | 119.9° |
| C48 | C49 | C50 | 120.0° | 120.1° |
| C49 | C48 | H71 | 120.1° | 120.1° |
| C48 | C49 | H72 | 120.0° | 119.9° |
| C48 | C47 | C46 | 119.6° | 120.1° |
| C48 | C47 | C52 | 120.5° | 119.8° |
| C47 | C48 | H71 | 120.1° | 120.1° |
| O14 | C46 | C47 | 119.1° | 120.0° |
| C46 | C47 | C52 | 119.9° | 120.1° |
| C49 | C50 | F1 | 119.8° | 119.9° |
| C49 | C50 | C51 | 120.2° | 120.3° |
| C50 | C49 | H72 | 120.0° | 120.0° |
| C47 | C52 | C51 | 119.7° | 119.8° |
| C47 | C52 | H74 | 120.2° | 120.1° |
| F1 | C50 | C51 | 120.1° | 119.8° |
| C50 | C51 | C52 | 120.0° | 120.1° |
| C50 | C51 | H73 | 120.0° | 120.0° |
| C52 | C51 | H73 | 120.0° | 119.9° |
| C51 | C52 | H74 | 120.2° | 120.1° |
| H60 | N14 | C38 | 119.6° | 120.0° |
| H62 | C42 | H63 | 109.5° | 109.5° |
| H64 | C43 | H65 | 109.5° | 109.4° |
| H66 | C44 | H67 | 109.4° | 109.5° |
| H68 | C45 | H69 | 109.5° | 109.4° |
| C53 | N16 | H75 | 119.1° | 120.0° |
| N16 | C53 | C54 | 110.9° | 109.4° |
| N16 | C53 | C55 | 111.8° | 109.5° |
| N16 | C53 | H76 | 109.3° | 109.5° |
| C53 | N16 | C41 | 121.8° | 120.0° |
| H75 | N16 | C41 | 119.1° | 120.1° |
| C54 | C53 | C55 | 108.3° | 109.5° |
| C54 | C53 | H76 | 108.4° | 109.5° |
| C53 | C54 | O15 | 122.7° | 120.0° |
| C53 | C54 | O16 | 118.8° | 120.0° |
| C55 | C53 | H76 | 108.1° | 109.5° |
| C53 | C55 | C56 | 109.9° | 109.5° |
| C53 | C55 | C57 | 110.5° | 109.5° |
| C53 | C55 | H77 | 108.4° | 109.4° |
| O15 | C54 | O16 | 118.5° | 120.0° |
| C54 | O16 | H86 | 109.5° | 117.0° |
| C56 | C55 | C57 | 110.8° | 109.5° |
| C56 | C55 | H77 | 108.6° | 109.5° |
| C55 | C56 | C58 | 114.0° | 109.5° |
| C55 | C56 | H78 | 108.3° | 109.4° |
| C55 | C56 | H79 | 108.3° | 109.5° |
| C57 | C55 | H77 | 108.7° | 109.5° |
| C55 | C57 | H80 | 109.5° | 109.5° |
| C55 | C57 | H81 | 109.5° | 109.5° |
| C55 | C57 | H82 | 109.5° | 109.5° |
| C58 | C56 | H78 | 108.3° | 109.5° |
| C58 | C56 | H79 | 108.3° | 109.5° |
| C56 | C58 | H83 | 109.5° | 109.5° |
| C56 | C58 | H84 | 109.5° | 109.5° |
| C56 | C58 | H85 | 109.5° | 109.5° |
| H78 | C56 | H79 | 109.5° | 109.5° |
| H80 | C57 | H81 | 109.4° | 109.5° |
| H80 | C57 | H82 | 109.5° | 109.4° |
| H81 | C57 | H82 | 109.5° | 109.5° |
| H83 | C58 | H84 | 109.5° | 109.5° |
| H83 | C58 | H85 | 109.5° | 109.4° |
| H84 | C58 | H85 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 90.0° | 124.0° |
| N1 | C1 | C2 | C3 | 90.0° | 120.0° |
| N1 | C1 | C2 | H3 | 90.0° | 120.0° |
| N1 | C1 | C3 | H3 | 90.0° | 120.0° |
| N1 | C1 | C2 | O1 | 90.0° | 0.0° |
| N1 | C1 | C3 | H4 | 90.0° | 60.0° |
| N1 | C1 | C3 | H5 | 90.0° | 60.0° |
| N1 | C1 | C3 | H6 | 90.0° | 180.0° |
| N1 | C1 | C2 | N2 | 90.0° | 180.0° |
| H1 | N1 | C1 | C2 | 90.0° | 56.0° |
| H1 | N1 | C1 | C3 | 90.0° | 176.1° |
| H1 | N1 | C1 | H3 | 90.0° | 63.9° |
| H2 | N1 | C1 | C2 | 90.0° | 180.0° |
| H2 | N1 | C1 | C3 | 90.0° | 60.0° |
| H2 | N1 | C1 | H3 | 90.0° | 60.0° |
| C2 | C1 | C3 | H3 | 90.0° | 120.0° |
| C1 | C2 | O1 | N2 | 90.0° | 179.9° |
| C2 | C1 | C3 | H4 | 90.0° | 60.0° |
| C2 | C1 | C3 | H5 | 90.0° | 180.0° |
| C2 | C1 | C3 | H6 | 90.0° | 60.0° |
| C1 | C2 | N2 | C4 | 90.0° | 175.0° |
| C1 | C2 | N2 | H7 | 90.0° | 5.0° |
| C3 | C1 | C2 | O1 | 90.0° | 120.0° |
| C1 | C3 | H4 | H5 | 90.0° | 119.9° |
| C1 | C3 | H4 | H6 | 90.0° | 120.0° |
| C1 | C3 | H5 | H6 | 90.0° | 120.0° |
| C3 | C1 | C2 | N2 | 90.0° | 60.0° |
| H3 | C1 | C2 | O1 | 90.0° | 120.0° |
| H3 | C1 | C3 | H4 | 90.0° | 180.0° |
| H3 | C1 | C3 | H5 | 90.0° | 60.0° |
| H3 | C1 | C3 | H6 | 90.0° | 60.0° |
| H3 | C1 | C2 | N2 | 90.0° | 60.1° |
| O1 | C2 | N2 | C4 | 90.0° | 5.1° |
| O1 | C2 | N2 | H7 | 90.0° | 175.0° |
| H4 | C3 | H5 | H6 | 90.0° | 120.1° |
| C4 | N2 | H7 | C2 | 90.0° | 179.9° |
| N2 | C4 | C5 | C6 | 90.0° | 120.0° |
| N2 | C4 | C5 | H8 | 90.0° | 120.0° |
| N2 | C4 | C6 | H8 | 90.0° | 120.0° |
| N2 | C4 | C5 | O2 | 90.0° | 0.0° |
| N2 | C4 | C6 | C7 | 90.0° | 62.8° |
| N2 | C4 | C6 | H9 | 90.0° | 177.2° |
| N2 | C4 | C6 | H10 | 90.0° | 57.2° |
| N2 | C4 | C5 | N4 | 90.0° | 180.0° |
| H7 | N2 | C4 | C5 | 90.0° | 91.4° |
| H7 | N2 | C4 | C6 | 90.0° | 28.5° |
| H7 | N2 | C4 | H8 | 90.0° | 148.6° |
| C5 | C4 | C6 | H8 | 90.0° | 120.0° |
| C4 | C5 | O2 | N4 | 90.0° | 180.0° |
| C5 | C4 | C6 | C7 | 90.0° | 177.2° |
| C5 | C4 | C6 | H9 | 90.0° | 57.2° |
| C5 | C4 | C6 | H10 | 90.0° | 62.7° |
| C4 | C5 | N4 | C8 | 90.0° | 180.0° |
| C4 | C5 | N4 | H13 | 90.0° | 0.0° |
| C5 | C4 | N2 | C2 | 90.0° | 88.6° |
| C6 | C4 | C5 | O2 | 90.0° | 120.0° |
| C4 | C6 | C7 | H9 | 90.0° | 120.0° |
| C4 | C6 | C7 | H10 | 90.0° | 120.0° |
| C4 | C6 | H9 | H10 | 90.0° | 120.0° |
| C4 | C6 | C7 | O3 | 90.0° | 4.7° |
| C4 | C6 | C7 | N3 | 90.0° | 175.2° |
| C6 | C4 | N2 | C2 | 90.0° | 151.4° |
| C6 | C4 | C5 | N4 | 90.0° | 60.0° |
| H8 | C4 | C5 | O2 | 90.0° | 120.0° |
| H8 | C4 | C6 | C7 | 90.0° | 57.2° |
| H8 | C4 | C6 | H9 | 90.0° | 62.8° |
| H8 | C4 | C6 | H10 | 90.0° | 177.3° |
| H8 | C4 | N2 | C2 | 90.0° | 31.3° |
| H8 | C4 | C5 | N4 | 90.0° | 60.0° |
| O2 | C5 | N4 | C8 | 90.0° | 0.0° |
| O2 | C5 | N4 | H13 | 90.0° | 180.0° |
| C7 | C6 | H9 | H10 | 90.0° | 120.0° |
| C6 | C7 | O3 | N3 | 90.0° | 180.0° |
| C6 | C7 | N3 | H11 | 90.0° | 0.1° |
| C6 | C7 | N3 | H12 | 90.0° | 180.0° |
| H9 | C6 | C7 | O3 | 90.0° | 124.7° |
| H9 | C6 | C7 | N3 | 90.0° | 55.2° |
| H10 | C6 | C7 | O3 | 90.0° | 115.3° |
| H10 | C6 | C7 | N3 | 90.0° | 64.7° |
| O3 | C7 | N3 | H11 | 90.0° | 180.0° |
| O3 | C7 | N3 | H12 | 90.0° | 0.1° |
| C7 | N3 | H11 | H12 | 90.0° | 179.9° |
| C8 | N4 | H13 | C5 | 90.0° | 180.0° |
| N4 | C8 | C9 | C10 | 90.0° | 120.0° |
| N4 | C8 | C9 | H14 | 90.0° | 120.0° |
| N4 | C8 | C10 | H14 | 90.0° | 119.9° |
| N4 | C8 | C9 | O4 | 90.0° | 0.1° |
| N4 | C8 | C10 | O5 | 90.0° | 65.0° |
| N4 | C8 | C10 | H15 | 90.0° | 55.0° |
| N4 | C8 | C10 | H16 | 90.0° | 175.0° |
| N4 | C8 | C9 | N5 | 90.0° | 180.0° |
| H13 | N4 | C8 | C9 | 90.0° | 25.0° |
| H13 | N4 | C8 | C10 | 90.0° | 95.1° |
| H13 | N4 | C8 | H14 | 90.0° | 145.0° |
| C9 | C8 | C10 | H14 | 90.0° | 120.1° |
| C8 | C9 | O4 | N5 | 90.0° | 179.9° |
| C9 | C8 | C10 | O5 | 90.0° | 55.0° |
| C9 | C8 | C10 | H15 | 90.0° | 175.0° |
| C9 | C8 | C10 | H16 | 90.0° | 65.0° |
| C8 | C9 | N5 | C11 | 90.0° | 180.0° |
| C8 | C9 | N5 | H18 | 90.0° | 0.0° |
| C9 | C8 | N4 | C5 | 90.0° | 155.0° |
| C10 | C8 | C9 | O4 | 90.0° | 120.0° |
| C8 | C10 | O5 | H15 | 90.0° | 120.0° |
| C8 | C10 | O5 | H16 | 90.0° | 120.0° |
| C8 | C10 | H15 | H16 | 90.0° | 120.0° |
| C8 | C10 | O5 | H17 | 90.0° | 180.0° |
| C10 | C8 | N4 | C5 | 90.0° | 85.0° |
| C10 | C8 | C9 | N5 | 90.0° | 60.1° |
| H14 | C8 | C9 | O4 | 90.0° | 119.9° |
| H14 | C8 | C10 | O5 | 90.0° | 175.0° |
| H14 | C8 | C10 | H15 | 90.0° | 65.0° |
| H14 | C8 | C10 | H16 | 90.0° | 55.1° |
| H14 | C8 | N4 | C5 | 90.0° | 35.0° |
| H14 | C8 | C9 | N5 | 90.0° | 60.0° |
| O4 | C9 | N5 | C11 | 90.0° | 0.1° |
| O4 | C9 | N5 | H18 | 90.0° | 179.9° |
| O5 | C10 | H15 | H16 | 90.0° | 120.0° |
| H15 | C10 | O5 | H17 | 90.0° | 60.0° |
| H16 | C10 | O5 | H17 | 90.0° | 60.0° |
| C11 | N5 | H18 | C9 | 90.0° | 180.0° |
| N5 | C11 | C12 | C13 | 90.0° | 120.1° |
| N5 | C11 | C12 | H19 | 90.0° | 120.0° |
| N5 | C11 | C13 | H19 | 90.0° | 120.0° |
| N5 | C11 | C12 | O6 | 90.0° | 12.7° |
| N5 | C11 | C13 | C14 | 90.0° | 62.0° |
| N5 | C11 | C13 | H20 | 90.0° | 178.0° |
| N5 | C11 | C13 | H21 | 90.0° | 58.0° |
| N5 | C11 | C12 | N9 | 90.0° | 167.3° |
| H18 | N5 | C11 | C12 | 90.0° | 25.1° |
| H18 | N5 | C11 | C13 | 90.0° | 95.0° |
| H18 | N5 | C11 | H19 | 90.0° | 145.0° |
| C12 | C11 | C13 | H19 | 90.0° | 120.0° |
| C11 | C12 | O6 | N9 | 90.0° | 180.0° |
| C12 | C11 | C13 | C14 | 90.0° | 177.9° |
| C12 | C11 | C13 | H20 | 90.0° | 57.9° |
| C12 | C11 | C13 | H21 | 90.0° | 62.1° |
| C11 | C12 | N9 | C17 | 90.0° | 175.2° |
| C11 | C12 | N9 | H31 | 90.0° | 4.8° |
| C12 | C11 | N5 | C9 | 90.0° | 154.9° |
| C13 | C11 | C12 | O6 | 90.0° | 107.3° |
| C11 | C13 | C14 | H20 | 90.0° | 120.0° |
| C11 | C13 | C14 | H21 | 90.0° | 119.9° |
| C11 | C13 | H20 | H21 | 90.0° | 119.9° |
| C11 | C13 | C14 | C15 | 90.0° | 180.0° |
| C11 | C13 | C14 | H22 | 90.0° | 60.0° |
| C11 | C13 | C14 | H23 | 90.0° | 60.1° |
| C13 | C11 | N5 | C9 | 90.0° | 85.0° |
| C13 | C11 | C12 | N9 | 90.0° | 72.6° |
| H19 | C11 | C12 | O6 | 90.0° | 132.7° |
| H19 | C11 | C13 | C14 | 90.0° | 58.0° |
| H19 | C11 | C13 | H20 | 90.0° | 62.0° |
| H19 | C11 | C13 | H21 | 90.0° | 178.0° |
| H19 | C11 | N5 | C9 | 90.0° | 35.0° |
| H19 | C11 | C12 | N9 | 90.0° | 47.4° |
| O6 | C12 | N9 | C17 | 90.0° | 4.8° |
| O6 | C12 | N9 | H31 | 90.0° | 175.2° |
| C14 | C13 | H20 | H21 | 90.0° | 120.1° |
| C13 | C14 | C15 | H22 | 90.0° | 120.0° |
| C13 | C14 | C15 | H23 | 90.0° | 120.0° |
| C13 | C14 | H22 | H23 | 90.0° | 120.1° |
| C13 | C14 | C15 | N6 | 90.0° | 180.0° |
| C13 | C14 | C15 | H24 | 90.0° | 60.0° |
| C13 | C14 | C15 | H25 | 90.0° | 60.0° |
| H20 | C13 | C14 | C15 | 90.0° | 60.0° |
| H20 | C13 | C14 | H22 | 90.0° | 180.0° |
| H20 | C13 | C14 | H23 | 90.0° | 59.9° |
| H21 | C13 | C14 | C15 | 90.0° | 60.1° |
| H21 | C13 | C14 | H22 | 90.0° | 59.9° |
| H21 | C13 | C14 | H23 | 90.0° | 180.0° |
| C15 | C14 | H22 | H23 | 90.0° | 119.9° |
| C14 | C15 | N6 | H24 | 90.0° | 120.0° |
| C14 | C15 | N6 | H25 | 90.0° | 120.0° |
| C14 | C15 | H24 | H25 | 90.0° | 120.0° |
| C14 | C15 | N6 | C16 | 90.0° | 180.0° |
| C14 | C15 | N6 | H26 | 90.0° | 0.1° |
| H22 | C14 | C15 | N6 | 90.0° | 60.0° |
| H22 | C14 | C15 | H24 | 90.0° | 180.0° |
| H22 | C14 | C15 | H25 | 90.0° | 60.0° |
| H23 | C14 | C15 | N6 | 90.0° | 60.0° |
| H23 | C14 | C15 | H24 | 90.0° | 60.1° |
| H23 | C14 | C15 | H25 | 90.0° | 180.0° |
| N6 | C15 | H24 | H25 | 90.0° | 120.0° |
| C15 | N6 | C16 | H26 | 90.0° | 179.9° |
| C15 | N6 | C16 | N7 | 90.0° | 0.0° |
| C15 | N6 | C16 | N8 | 90.0° | 180.0° |
| H24 | C15 | N6 | C16 | 90.0° | 60.0° |
| H24 | C15 | N6 | H26 | 90.0° | 119.9° |
| H25 | C15 | N6 | C16 | 90.0° | 60.0° |
| H25 | C15 | N6 | H26 | 90.0° | 120.1° |
| N6 | C16 | N7 | N8 | 90.0° | 180.0° |
| N6 | C16 | N7 | H27 | 90.0° | 0.0° |
| N6 | C16 | N7 | H28 | 90.0° | 180.0° |
| N6 | C16 | N8 | H29 | 90.0° | 180.0° |
| N6 | C16 | N8 | H30 | 90.0° | 0.0° |
| H26 | N6 | C16 | N7 | 90.0° | 179.9° |
| H26 | N6 | C16 | N8 | 90.0° | 0.1° |
| C16 | N7 | H27 | H28 | 90.0° | 180.0° |
| N7 | C16 | N8 | H29 | 90.0° | 0.0° |
| N7 | C16 | N8 | H30 | 90.0° | 180.0° |
| N8 | C16 | N7 | H27 | 90.0° | 180.0° |
| N8 | C16 | N7 | H28 | 90.0° | 0.0° |
| C16 | N8 | H29 | H30 | 90.0° | 180.0° |
| C17 | N9 | H31 | C12 | 179.9° | 180.0° |
| N9 | C17 | C18 | C19 | 121.8° | 120.0° |
| N9 | C17 | C18 | H32 | 120.5° | 120.0° |
| N9 | C17 | C19 | H32 | 120.4° | 120.0° |
| N9 | C17 | C18 | O7 | 28.9° | 27.4° |
| N9 | C17 | C19 | C20 | 43.5° | 64.0° |
| N9 | C17 | C19 | H33 | 77.4° | 56.1° |
| N9 | C17 | C19 | H34 | 164.3° | 176.1° |
| N9 | C17 | C18 | N11 | 152.9° | 152.7° |
| H31 | N9 | C17 | C18 | 96.7° | 48.4° |
| H31 | N9 | C17 | C19 | 143.2° | 71.5° |
| H31 | N9 | C17 | H32 | 23.3° | 168.4° |
| C18 | C17 | C19 | H32 | 117.7° | 120.0° |
| C17 | C18 | O7 | N11 | 178.0° | 180.0° |
| C18 | C17 | C19 | C20 | 165.4° | 176.1° |
| C18 | C17 | C19 | H33 | 44.5° | 63.9° |
| C18 | C17 | C19 | H34 | 73.8° | 56.2° |
| C17 | C18 | N11 | C28 | 176.6° | 174.0° |
| C17 | C18 | N11 | C32 | 1.2° | 5.7° |
| C18 | C17 | N9 | C12 | 83.3° | 131.6° |
| C19 | C17 | C18 | O7 | 92.8° | 92.6° |
| C17 | C19 | C20 | H33 | 120.9° | 120.1° |
| C17 | C19 | C20 | H34 | 120.9° | 119.9° |
| C17 | C19 | H33 | H34 | 117.3° | 120.0° |
| C17 | C19 | C20 | C21 | 42.2° | 73.3° |
| C17 | C19 | C20 | C22 | 138.3° | 106.4° |
| C19 | C17 | N9 | C12 | 36.8° | 108.5° |
| C19 | C17 | C18 | N11 | 85.3° | 87.4° |
| H32 | C17 | C18 | O7 | 149.5° | 147.3° |
| H32 | C17 | C19 | C20 | 76.9° | 56.1° |
| H32 | C17 | C19 | H33 | 162.2° | 176.1° |
| H32 | C17 | C19 | H34 | 44.0° | 63.8° |
| H32 | C17 | N9 | C12 | 156.7° | 11.6° |
| H32 | C17 | C18 | N11 | 32.4° | 32.7° |
| O7 | C18 | N11 | C28 | 1.5° | 6.0° |
| O7 | C18 | N11 | C32 | 176.9° | 174.3° |
| C20 | C19 | H33 | H34 | 117.2° | 120.0° |
| C19 | C20 | C21 | C22 | 179.6° | 179.7° |
| C19 | C20 | C21 | N10 | 179.7° | 180.0° |
| C19 | C20 | C21 | H35 | 0.3° | 0.0° |
| C19 | C20 | C22 | C23 | 179.9° | 180.0° |
| C19 | C20 | C22 | C24 | 0.5° | 0.1° |
| H33 | C19 | C20 | C21 | 163.0° | 166.6° |
| H33 | C19 | C20 | C22 | 17.4° | 13.7° |
| H34 | C19 | C20 | C21 | 78.7° | 46.6° |
| H34 | C19 | C20 | C22 | 100.9° | 133.7° |
| C20 | C21 | N10 | H35 | 180.0° | 180.0° |
| C21 | C20 | C22 | C23 | 0.3° | 0.3° |
| C21 | C20 | C22 | C24 | 179.9° | 179.8° |
| C20 | C21 | N10 | C23 | 0.2° | 0.2° |
| C20 | C21 | N10 | H36 | 179.8° | 180.0° |
| C22 | C20 | C21 | N10 | 0.1° | 0.3° |
| C22 | C20 | C21 | H35 | 179.9° | 179.7° |
| C20 | C22 | C23 | C24 | 179.7° | 179.9° |
| C20 | C22 | C23 | N10 | 0.4° | 0.2° |
| C20 | C22 | C23 | C25 | 179.9° | 180.0° |
| C20 | C22 | C24 | C26 | 179.6° | 179.9° |
| C20 | C22 | C24 | H37 | 0.4° | 0.1° |
| C21 | N10 | C23 | C22 | 0.4° | 0.0° |
| C21 | N10 | C23 | H36 | 180.0° | 179.9° |
| C21 | N10 | C23 | C25 | 179.9° | 179.8° |
| H35 | C21 | N10 | C23 | 179.8° | 179.9° |
| H35 | C21 | N10 | H36 | 0.1° | 0.0° |
| C22 | C23 | N10 | C25 | 179.7° | 179.7° |
| C22 | C23 | N10 | H36 | 179.7° | 179.8° |
| C23 | C22 | C24 | C26 | 0.1° | 0.0° |
| C23 | C22 | C24 | H37 | 179.9° | 180.0° |
| C22 | C23 | C25 | C27 | 0.3° | 0.1° |
| C22 | C23 | C25 | H38 | 179.8° | 180.0° |
| C24 | C22 | C23 | N10 | 179.9° | 179.9° |
| C24 | C22 | C23 | C25 | 0.2° | 0.1° |
| C22 | C24 | C26 | H37 | 180.0° | 180.0° |
| C22 | C24 | C26 | C27 | 0.0° | 0.0° |
| C22 | C24 | C26 | H39 | 180.0° | 180.0° |
| N10 | C23 | C25 | C27 | 179.9° | 179.8° |
| N10 | C23 | C25 | H38 | 0.1° | 0.3° |
| H36 | N10 | C23 | C25 | 0.0° | 0.1° |
| C23 | C25 | C27 | H38 | 180.0° | 179.9° |
| C23 | C25 | C27 | C26 | 0.2° | 0.0° |
| C23 | C25 | C27 | H40 | 179.8° | 180.0° |
| C24 | C26 | C27 | C25 | 0.1° | 0.0° |
| C24 | C26 | C27 | H39 | 180.0° | 179.9° |
| C24 | C26 | C27 | H40 | 179.9° | 179.9° |
| H37 | C24 | C26 | C27 | 180.0° | 180.0° |
| H37 | C24 | C26 | H39 | 0.0° | 0.0° |
| C25 | C27 | C26 | H40 | 180.0° | 180.0° |
| C25 | C27 | C26 | H39 | 179.9° | 180.0° |
| H38 | C25 | C27 | C26 | 179.8° | 179.9° |
| H38 | C25 | C27 | H40 | 0.2° | 0.1° |
| H39 | C26 | C27 | H40 | 0.1° | 0.0° |
| C28 | N11 | C32 | C18 | 175.9° | 179.8° |
| N11 | C28 | C29 | C30 | 113.6° | 117.8° |
| N11 | C28 | C29 | H41 | 124.6° | 121.0° |
| N11 | C28 | C30 | H41 | 119.0° | 119.5° |
| N11 | C28 | C29 | O8 | 26.0° | 0.1° |
| N11 | C28 | C30 | C31 | 28.7° | 22.2° |
| N11 | C28 | C30 | H42 | 147.8° | 140.5° |
| N11 | C28 | C30 | H43 | 90.4° | 96.2° |
| C28 | N11 | C32 | C31 | 13.8° | 24.4° |
| C28 | N11 | C32 | H46 | 105.2° | 94.5° |
| C28 | N11 | C32 | H47 | 132.7° | 143.2° |
| N11 | C28 | C29 | N12 | 154.8° | 180.0° |
| C32 | N11 | C28 | C29 | 108.5° | 120.6° |
| C32 | N11 | C28 | C30 | 9.1° | 1.3° |
| C32 | N11 | C28 | H41 | 127.4° | 118.3° |
| N11 | C32 | C31 | C30 | 31.7° | 37.3° |
| N11 | C32 | C31 | H46 | 119.0° | 118.8° |
| N11 | C32 | C31 | H47 | 119.0° | 118.8° |
| N11 | C32 | C31 | H44 | 87.5° | 80.8° |
| N11 | C32 | C31 | H45 | 151.0° | 155.2° |
| N11 | C32 | H46 | H47 | 123.0° | 122.2° |
| C29 | C28 | C30 | H41 | 121.8° | 121.1° |
| C28 | C29 | O8 | N12 | 179.1° | 179.9° |
| C29 | C28 | C30 | C31 | 90.5° | 97.2° |
| C29 | C28 | C30 | H42 | 28.5° | 21.2° |
| C29 | C28 | C30 | H43 | 150.3° | 144.5° |
| C28 | C29 | N12 | C33 | 178.4° | 180.0° |
| C28 | C29 | N12 | H48 | 1.7° | 0.1° |
| C29 | C28 | N11 | C18 | 67.6° | 59.6° |
| C30 | C28 | C29 | O8 | 87.7° | 117.8° |
| C28 | C30 | C31 | H42 | 119.1° | 118.4° |
| C28 | C30 | C31 | H43 | 119.1° | 118.3° |
| C28 | C30 | H42 | H43 | 122.6° | 123.2° |
| C28 | C30 | C31 | C32 | 37.9° | 35.6° |
| C28 | C30 | C31 | H44 | 81.3° | 82.6° |
| C28 | C30 | C31 | H45 | 157.1° | 153.5° |
| C30 | C28 | N11 | C18 | 174.8° | 179.0° |
| C30 | C28 | C29 | N12 | 91.5° | 62.3° |
| H41 | C28 | C29 | O8 | 150.6° | 121.0° |
| H41 | C28 | C30 | C31 | 147.7° | 141.7° |
| H41 | C28 | C30 | H42 | 93.2° | 100.0° |
| H41 | C28 | C30 | H43 | 28.6° | 23.3° |
| H41 | C28 | N11 | C18 | 56.5° | 61.4° |
| H41 | C28 | C29 | N12 | 30.2° | 58.9° |
| O8 | C29 | N12 | C33 | 0.8° | 0.1° |
| O8 | C29 | N12 | H48 | 179.2° | 180.0° |
| C31 | C30 | H42 | H43 | 122.5° | 123.2° |
| C30 | C31 | C32 | H44 | 119.2° | 118.1° |
| C30 | C31 | C32 | H45 | 119.2° | 118.0° |
| C30 | C31 | H44 | H45 | 122.3° | 123.9° |
| C30 | C31 | C32 | H46 | 87.2° | 81.5° |
| C30 | C31 | C32 | H47 | 150.7° | 156.0° |
| H42 | C30 | C31 | C32 | 157.0° | 154.0° |
| H42 | C30 | C31 | H44 | 37.8° | 35.8° |
| H42 | C30 | C31 | H45 | 83.8° | 88.0° |
| H43 | C30 | C31 | C32 | 81.2° | 82.7° |
| H43 | C30 | C31 | H44 | 159.6° | 159.1° |
| H43 | C30 | C31 | H45 | 38.0° | 35.2° |
| C32 | C31 | H44 | H45 | 122.3° | 123.9° |
| C31 | C32 | H46 | H47 | 123.0° | 122.4° |
| C31 | C32 | N11 | C18 | 162.1° | 155.8° |
| H44 | C31 | C32 | H46 | 153.6° | 160.4° |
| H44 | C31 | C32 | H47 | 31.5° | 37.9° |
| H45 | C31 | C32 | H46 | 32.0° | 36.4° |
| H45 | C31 | C32 | H47 | 90.1° | 86.0° |
| H46 | C32 | N11 | C18 | 79.0° | 85.2° |
| H47 | C32 | N11 | C18 | 43.1° | 37.0° |
| C33 | N12 | H48 | C29 | 180.0° | 180.0° |
| N12 | C33 | C34 | C35 | 121.2° | 119.9° |
| N12 | C33 | C34 | H49 | 119.9° | 120.0° |
| N12 | C33 | C35 | H49 | 121.5° | 120.0° |
| N12 | C33 | C34 | O9 | 42.7° | 1.9° |
| N12 | C33 | C35 | O10 | 60.0° | 59.9° |
| N12 | C33 | C35 | C36 | 179.9° | 60.1° |
| N12 | C33 | C35 | H50 | 60.5° | 179.9° |
| N12 | C33 | C34 | N13 | 136.0° | 178.1° |
| H48 | N12 | C33 | C34 | 49.2° | 25.0° |
| H48 | N12 | C33 | C35 | 70.4° | 95.0° |
| H48 | N12 | C33 | H49 | 168.7° | 145.0° |
| C34 | C33 | C35 | H49 | 119.0° | 120.1° |
| C33 | C34 | O9 | N13 | 178.6° | 180.0° |
| C34 | C33 | C35 | O10 | 179.4° | 60.1° |
| C34 | C33 | C35 | C36 | 60.7° | 179.9° |
| C34 | C33 | C35 | H50 | 59.0° | 59.9° |
| C33 | C34 | N13 | C37 | 176.7° | 175.0° |
| C33 | C34 | N13 | H55 | 3.3° | 5.0° |
| C34 | C33 | N12 | C29 | 130.8° | 155.0° |
| C35 | C33 | C34 | O9 | 78.6° | 118.0° |
| C33 | C35 | O10 | C36 | 120.8° | 120.0° |
| C33 | C35 | O10 | H50 | 119.6° | 120.0° |
| C33 | C35 | C36 | H50 | 119.6° | 120.0° |
| C33 | C35 | O10 | H51 | 180.0° | 60.0° |
| C33 | C35 | C36 | H52 | 180.0° | 58.3° |
| C33 | C35 | C36 | H53 | 60.0° | 178.3° |
| C33 | C35 | C36 | H54 | 60.0° | 61.8° |
| C35 | C33 | N12 | C29 | 109.6° | 85.1° |
| C35 | C33 | C34 | N13 | 102.8° | 62.0° |
| H49 | C33 | C34 | O9 | 162.6° | 121.9° |
| H49 | C33 | C35 | O10 | 61.5° | 179.8° |
| H49 | C33 | C35 | C36 | 58.4° | 59.9° |
| H49 | C33 | C35 | H50 | 178.0° | 60.1° |
| H49 | C33 | N12 | C29 | 11.4° | 34.9° |
| H49 | C33 | C34 | N13 | 16.1° | 58.1° |
| O9 | C34 | N13 | C37 | 4.7° | 5.0° |
| O9 | C34 | N13 | H55 | 175.3° | 175.0° |
| O10 | C35 | C36 | H50 | 120.3° | 120.0° |
| O10 | C35 | C36 | H52 | 59.9° | 61.8° |
| O10 | C35 | C36 | H53 | 180.0° | 58.3° |
| O10 | C35 | C36 | H54 | 60.0° | 178.2° |
| C36 | C35 | O10 | H51 | 59.2° | 180.0° |
| C35 | C36 | H52 | H53 | 120.0° | 120.0° |
| C35 | C36 | H52 | H54 | 120.0° | 120.0° |
| C35 | C36 | H53 | H54 | 120.0° | 119.9° |
| H50 | C35 | O10 | H51 | 60.3° | 60.0° |
| H50 | C35 | C36 | H52 | 60.4° | 178.2° |
| H50 | C35 | C36 | H53 | 59.6° | 61.7° |
| H50 | C35 | C36 | H54 | 179.6° | 58.2° |
| H52 | C36 | H53 | H54 | 120.0° | 120.0° |
| C37 | N13 | H55 | C34 | 180.0° | 180.0° |
| N13 | C37 | C38 | C39 | 121.1° | 120.1° |
| N13 | C37 | C38 | H56 | 119.9° | 120.0° |
| N13 | C37 | C39 | H56 | 121.2° | 120.0° |
| N13 | C37 | C38 | O11 | 41.5° | 0.0° |
| N13 | C37 | C39 | O12 | 62.4° | 65.0° |
| N13 | C37 | C39 | H57 | 57.9° | 175.0° |
| N13 | C37 | C39 | H58 | 177.4° | 55.0° |
| N13 | C37 | C38 | N14 | 138.2° | 179.9° |
| H55 | N13 | C37 | C38 | 53.8° | 25.0° |
| H55 | N13 | C37 | C39 | 66.3° | 95.0° |
| H55 | N13 | C37 | H56 | 173.1° | 145.0° |
| C38 | C37 | C39 | H56 | 119.1° | 120.0° |
| C37 | C38 | O11 | N14 | 179.7° | 179.9° |
| C38 | C37 | C39 | O12 | 178.0° | 55.1° |
| C38 | C37 | C39 | H57 | 61.8° | 65.0° |
| C38 | C37 | C39 | H58 | 57.7° | 175.0° |
| C37 | C38 | N14 | C40 | 170.1° | 180.0° |
| C37 | C38 | N14 | H60 | 9.9° | 0.0° |
| C38 | C37 | N13 | C34 | 126.2° | 155.0° |
| C39 | C37 | C38 | O11 | 79.7° | 120.1° |
| C37 | C39 | O12 | H57 | 120.3° | 120.1° |
| C37 | C39 | O12 | H58 | 120.2° | 120.0° |
| C37 | C39 | H57 | H58 | 119.2° | 120.0° |
| C37 | C39 | O12 | H59 | 180.0° | 180.0° |
| C39 | C37 | N13 | C34 | 113.7° | 85.0° |
| C39 | C37 | C38 | N14 | 100.6° | 60.0° |
| H56 | C37 | C38 | O11 | 161.3° | 120.0° |
| H56 | C37 | C39 | O12 | 58.8° | 175.0° |
| H56 | C37 | C39 | H57 | 179.1° | 55.0° |
| H56 | C37 | C39 | H58 | 61.4° | 65.0° |
| H56 | C37 | N13 | C34 | 6.8° | 35.0° |
| H56 | C37 | C38 | N14 | 18.4° | 60.0° |
| O11 | C38 | N14 | C40 | 10.2° | 0.1° |
| O11 | C38 | N14 | H60 | 169.8° | 180.0° |
| O12 | C39 | H57 | H58 | 119.3° | 119.9° |
| H57 | C39 | O12 | H59 | 59.7° | 59.9° |
| H58 | C39 | O12 | H59 | 59.8° | 60.0° |
| N14 | C40 | C41 | C42 | 121.0° | 120.0° |
| N14 | C40 | C41 | H61 | 119.7° | 120.0° |
| N14 | C40 | C42 | H61 | 122.1° | 120.0° |
| N14 | C40 | C41 | O13 | 46.0° | 0.0° |
| N14 | C40 | C42 | C43 | 60.7° | 65.0° |
| C40 | N14 | H60 | C38 | 180.0° | 179.9° |
| N14 | C40 | C42 | H62 | 60.0° | 55.0° |
| N14 | C40 | C42 | H63 | 178.7° | 175.0° |
| N14 | C40 | C41 | N16 | 133.5° | 180.0° |
| C41 | C40 | C42 | H61 | 119.5° | 120.0° |
| C40 | C41 | O13 | N16 | 179.5° | 180.0° |
| C41 | C40 | C42 | C43 | 179.0° | 175.0° |
| C41 | C40 | N14 | H60 | 90.0° | 95.0° |
| C41 | C40 | C42 | H62 | 58.3° | 65.0° |
| C41 | C40 | C42 | H63 | 60.3° | 55.0° |
| C40 | C41 | N16 | C53 | 177.9° | 180.0° |
| C40 | C41 | N16 | H75 | 2.1° | 0.0° |
| C41 | C40 | N14 | C38 | 90.0° | 85.0° |
| C42 | C40 | C41 | O13 | 75.0° | 120.0° |
| C40 | C42 | C43 | H62 | 120.7° | 120.0° |
| C40 | C42 | C43 | H63 | 120.7° | 120.0° |
| C40 | C42 | C43 | C44 | 157.9° | 180.0° |
| C42 | C40 | N14 | H60 | 29.2° | 25.0° |
| C40 | C42 | H62 | H63 | 117.9° | 120.0° |
| C40 | C42 | C43 | H64 | 37.8° | 60.0° |
| C40 | C42 | C43 | H65 | 81.9° | 60.0° |
| C42 | C40 | N14 | C38 | 150.8° | 155.1° |
| C42 | C40 | C41 | N16 | 105.4° | 60.0° |
| O13 | C41 | C40 | H61 | 165.7° | 120.0° |
| O13 | C41 | N16 | C53 | 1.6° | 0.0° |
| O13 | C41 | N16 | H75 | 178.4° | 180.0° |
| C42 | C43 | C44 | H64 | 120.1° | 120.0° |
| C42 | C43 | C44 | H65 | 120.1° | 120.0° |
| C42 | C43 | C44 | C45 | 67.0° | 180.0° |
| C43 | C42 | C40 | H61 | 61.5° | 55.0° |
| C43 | C42 | H62 | H63 | 117.9° | 120.0° |
| C42 | C43 | H64 | H65 | 119.7° | 120.0° |
| C42 | C43 | C44 | H66 | 53.3° | 60.0° |
| C42 | C43 | C44 | H67 | 172.7° | 60.0° |
| C43 | C44 | C45 | H66 | 120.3° | 120.0° |
| C43 | C44 | C45 | H67 | 120.3° | 120.0° |
| C43 | C44 | C45 | N15 | 68.2° | 180.0° |
| C44 | C43 | C42 | H62 | 81.4° | 60.0° |
| C44 | C43 | C42 | H63 | 37.2° | 60.0° |
| C44 | C43 | H64 | H65 | 119.7° | 120.0° |
| C43 | C44 | H66 | H67 | 119.1° | 120.0° |
| C43 | C44 | C45 | H68 | 52.0° | 60.0° |
| C43 | C44 | C45 | H69 | 171.7° | 60.1° |
| C44 | C45 | N15 | H68 | 120.2° | 120.1° |
| C44 | C45 | N15 | H69 | 120.2° | 120.0° |
| C44 | C45 | N15 | C46 | 106.8° | 180.0° |
| C45 | C44 | C43 | H64 | 172.9° | 60.0° |
| C45 | C44 | C43 | H65 | 53.1° | 60.0° |
| C45 | C44 | H66 | H67 | 119.0° | 120.0° |
| C44 | C45 | H68 | H69 | 119.5° | 120.1° |
| C44 | C45 | N15 | H70 | 73.2° | 0.1° |
| C45 | N15 | C46 | H70 | 180.0° | 179.9° |
| C45 | N15 | C46 | O14 | 2.7° | 0.0° |
| C45 | N15 | C46 | C47 | 174.4° | 179.9° |
| N15 | C45 | C44 | H66 | 171.5° | 59.9° |
| N15 | C45 | C44 | H67 | 52.2° | 60.1° |
| N15 | C45 | H68 | H69 | 119.5° | 119.9° |
| N15 | C46 | C47 | C48 | 10.0° | 0.2° |
| N15 | C46 | O14 | C47 | 171.8° | 179.9° |
| N15 | C46 | C47 | C52 | 169.9° | 180.0° |
| C46 | N15 | C45 | H68 | 13.4° | 59.9° |
| C46 | N15 | C45 | H69 | 133.0° | 60.0° |
| C49 | C48 | C47 | H71 | 180.0° | 179.9° |
| C49 | C48 | C47 | C46 | 179.8° | 180.0° |
| C48 | C49 | C50 | H72 | 180.0° | 179.9° |
| C49 | C48 | C47 | C52 | 0.3° | 0.2° |
| C48 | C49 | C50 | F1 | 180.0° | 180.0° |
| C48 | C49 | C50 | C51 | 0.1° | 0.1° |
| C48 | C47 | C46 | O14 | 161.9° | 179.8° |
| C48 | C47 | C46 | C52 | 179.9° | 179.8° |
| C47 | C48 | C49 | C50 | 0.2° | 0.1° |
| C48 | C47 | C52 | C51 | 0.3° | 0.5° |
| C47 | C48 | C49 | H72 | 179.8° | 180.0° |
| C48 | C47 | C52 | H74 | 179.7° | 179.7° |
| O14 | C46 | C47 | C52 | 18.2° | 0.1° |
| O14 | C46 | N15 | H70 | 177.3° | 179.9° |
| C46 | C47 | C52 | C51 | 179.8° | 179.7° |
| C47 | C46 | N15 | H70 | 5.6° | 0.0° |
| C46 | C47 | C48 | H71 | 0.2° | 0.1° |
| C46 | C47 | C52 | H74 | 0.2° | 0.1° |
| C49 | C50 | F1 | C51 | 179.9° | 180.0° |
| C49 | C50 | C51 | C52 | 0.1° | 0.2° |
| C50 | C49 | C48 | H71 | 179.8° | 180.0° |
| C49 | C50 | C51 | H73 | 179.9° | 180.0° |
| C47 | C52 | C51 | C50 | 0.2° | 0.5° |
| C47 | C52 | C51 | H74 | 180.0° | 179.8° |
| C52 | C47 | C48 | H71 | 179.6° | 179.7° |
| C47 | C52 | C51 | H73 | 179.8° | 179.7° |
| F1 | C50 | C51 | C52 | 180.0° | 179.7° |
| F1 | C50 | C49 | H72 | 0.0° | 0.0° |
| F1 | C50 | C51 | H73 | 0.0° | 0.0° |
| C50 | C51 | C52 | H73 | 180.0° | 179.8° |
| C51 | C50 | C49 | H72 | 179.9° | 180.0° |
| C50 | C51 | C52 | H74 | 179.8° | 179.7° |
| H60 | N14 | C40 | H61 | 150.7° | 145.0° |
| H61 | C40 | C42 | H62 | 177.8° | 175.0° |
| H61 | C40 | C42 | H63 | 59.2° | 64.9° |
| H61 | C40 | N14 | C38 | 29.2° | 35.0° |
| H61 | C40 | C41 | N16 | 13.9° | 60.0° |
| H62 | C42 | C43 | H64 | 158.5° | 180.0° |
| H62 | C42 | C43 | H65 | 38.8° | 60.0° |
| H63 | C42 | C43 | H64 | 82.8° | 60.0° |
| H63 | C42 | C43 | H65 | 157.4° | 180.0° |
| H64 | C43 | C44 | H66 | 66.8° | 180.0° |
| H64 | C43 | C44 | H67 | 52.6° | 60.0° |
| H65 | C43 | C44 | H66 | 173.5° | 60.0° |
| H65 | C43 | C44 | H67 | 67.2° | 180.0° |
| H66 | C44 | C45 | H68 | 68.3° | 180.0° |
| H66 | C44 | C45 | H69 | 51.4° | 60.0° |
| H67 | C44 | C45 | H68 | 172.3° | 60.0° |
| H67 | C44 | C45 | H69 | 68.0° | 180.0° |
| H68 | C45 | N15 | H70 | 166.6° | 120.0° |
| H69 | C45 | N15 | H70 | 46.9° | 120.1° |
| H71 | C48 | C49 | H72 | 0.2° | 0.1° |
| H73 | C51 | C52 | H74 | 0.2° | 0.1° |
| C53 | N16 | H75 | C41 | 180.0° | 180.0° |
| N16 | C53 | C54 | C55 | 123.0° | 120.0° |
| N16 | C53 | C54 | H76 | 119.9° | 120.0° |
| N16 | C53 | C55 | H76 | 120.3° | 120.0° |
| N16 | C53 | C54 | O15 | 6.1° | 0.0° |
| N16 | C53 | C54 | O16 | 173.0° | 180.0° |
| N16 | C53 | C55 | C56 | 58.0° | 175.0° |
| N16 | C53 | C55 | C57 | 64.5° | 64.9° |
| N16 | C53 | C55 | H77 | 176.5° | 55.1° |
| H75 | N16 | C53 | C54 | 41.5° | 95.0° |
| H75 | N16 | C53 | C55 | 79.5° | 25.0° |
| H75 | N16 | C53 | H76 | 161.0° | 145.0° |
| C54 | C53 | C55 | H76 | 117.3° | 120.0° |
| C53 | C54 | O15 | O16 | 179.1° | 180.0° |
| C54 | C53 | C55 | C56 | 64.5° | 65.0° |
| C54 | C53 | C55 | C57 | 173.0° | 55.0° |
| C54 | C53 | C55 | H77 | 54.0° | 175.0° |
| C53 | C54 | O16 | H86 | 179.1° | 180.0° |
| C54 | C53 | N16 | C41 | 138.5° | 85.0° |
| C55 | C53 | C54 | O15 | 116.9° | 120.0° |
| C55 | C53 | C54 | O16 | 64.0° | 60.0° |
| C53 | C55 | C56 | C57 | 122.4° | 120.0° |
| C53 | C55 | C56 | H77 | 118.4° | 119.9° |
| C53 | C55 | C57 | H77 | 118.8° | 120.0° |
| C53 | C55 | C56 | C58 | 177.6° | 175.0° |
| C53 | C55 | C56 | H78 | 61.7° | 65.0° |
| C53 | C55 | C56 | H79 | 57.0° | 55.0° |
| C53 | C55 | C57 | H80 | 180.0° | 180.0° |
| C53 | C55 | C57 | H81 | 60.0° | 60.0° |
| C53 | C55 | C57 | H82 | 60.0° | 60.1° |
| C55 | C53 | N16 | C41 | 100.5° | 155.0° |
| H76 | C53 | C54 | O15 | 126.0° | 120.0° |
| H76 | C53 | C54 | O16 | 53.0° | 60.0° |
| H76 | C53 | C55 | C56 | 178.3° | 55.0° |
| H76 | C53 | C55 | C57 | 55.7° | 175.0° |
| H76 | C53 | C55 | H77 | 63.2° | 65.0° |
| H76 | C53 | N16 | C41 | 19.1° | 35.0° |
| O15 | C54 | O16 | H86 | 0.0° | 0.0° |
| C56 | C55 | C57 | H77 | 119.2° | 120.0° |
| C55 | C56 | C58 | H78 | 120.6° | 120.0° |
| C55 | C56 | C58 | H79 | 120.7° | 120.0° |
| C55 | C56 | H78 | H79 | 118.0° | 120.0° |
| C56 | C55 | C57 | H80 | 58.0° | 60.0° |
| C56 | C55 | C57 | H81 | 178.0° | 180.0° |
| C56 | C55 | C57 | H82 | 62.0° | 59.9° |
| C55 | C56 | C58 | H83 | 180.0° | 179.9° |
| C55 | C56 | C58 | H84 | 60.0° | 60.0° |
| C55 | C56 | C58 | H85 | 60.0° | 60.0° |
| C57 | C55 | C56 | C58 | 60.0° | 65.0° |
| C57 | C55 | C56 | H78 | 60.7° | 55.0° |
| C57 | C55 | C56 | H79 | 179.4° | 175.0° |
| C55 | C57 | H80 | H81 | 120.0° | 120.0° |
| C55 | C57 | H80 | H82 | 120.0° | 119.9° |
| C55 | C57 | H81 | H82 | 120.0° | 120.0° |
| H77 | C55 | C56 | C58 | 59.2° | 55.0° |
| H77 | C55 | C56 | H78 | 179.9° | 175.0° |
| H77 | C55 | C56 | H79 | 61.4° | 65.0° |
| H77 | C55 | C57 | H80 | 61.2° | 60.0° |
| H77 | C55 | C57 | H81 | 58.8° | 60.0° |
| H77 | C55 | C57 | H82 | 178.8° | 180.0° |
| C58 | C56 | H78 | H79 | 117.9° | 120.0° |
| C56 | C58 | H83 | H84 | 120.0° | 120.1° |
| C56 | C58 | H83 | H85 | 120.0° | 120.0° |
| C56 | C58 | H84 | H85 | 120.0° | 120.0° |
| H78 | C56 | C58 | H83 | 59.4° | 60.0° |
| H78 | C56 | C58 | H84 | 179.4° | 179.9° |
| H78 | C56 | C58 | H85 | 60.6° | 60.0° |
| H79 | C56 | C58 | H83 | 59.3° | 60.0° |
| H79 | C56 | C58 | H84 | 60.7° | 60.0° |
| H79 | C56 | C58 | H85 | 179.3° | 180.0° |
| H80 | C57 | H81 | H82 | 120.0° | 120.0° |
| H83 | C58 | H84 | H85 | 120.0° | 119.9° |
