PRD_000481
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | O2 | sing | 1.34Å | 1.26Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O3 | doub | 1.21Å | 1.22Å | |
| N1 | C5 | sing | 1.47Å | 1.47Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C5 | C7 | sing | 1.53Å | 1.53Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | O4 | doub | 1.21Å | 1.22Å | |
| C7 | C8 | sing | 1.51Å | 1.49Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| N2 | C14 | sing | 1.46Å | 1.46Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | O5 | doub | 1.21Å | 1.24Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | O6 | doub | 1.21Å | 1.23Å | |
| C18 | O7 | sing | 1.34Å | 1.24Å | |
| O7 | H21 | sing | 0.97Å | 0.95Å | |
| N3 | C19 | sing | 1.46Å | 1.45Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | O8 | doub | 1.21Å | 1.24Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | O9 | doub | 1.21Å | 1.25Å | |
| C23 | O10 | sing | 1.34Å | 1.25Å | |
| O10 | H28 | sing | 0.97Å | 0.95Å | |
| N4 | C24 | sing | 1.46Å | 1.45Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.54Å | |
| C24 | C26 | sing | 1.53Å | 1.56Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | O11 | doub | 1.21Å | 1.24Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | C29 | sing | 1.53Å | 1.52Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| N5 | C30 | sing | 1.47Å | 1.47Å | |
| N5 | C34 | sing | 1.47Å | 1.47Å | |
| C30 | C31 | sing | 1.51Å | 1.53Å | |
| C30 | C32 | sing | 1.54Å | 1.54Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | O12 | doub | 1.21Å | 1.23Å | |
| C32 | C33 | sing | 1.55Å | 1.48Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.55Å | 1.48Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C34 | H45 | sing | 1.09Å | 1.10Å | |
| C34 | H46 | sing | 1.09Å | 1.10Å | |
| N6 | C35 | sing | 1.47Å | 0.00Å | |
| N6 | H47 | sing | 0.97Å | 0.00Å | |
| C35 | C36 | sing | 1.51Å | 0.00Å | |
| C35 | C37 | sing | 1.53Å | 0.00Å | |
| C35 | H48 | sing | 1.09Å | 0.00Å | |
| C36 | O13 | doub | 1.21Å | 0.00Å | |
| C37 | C38 | sing | 1.53Å | 0.00Å | |
| C37 | H49 | sing | 1.09Å | 0.00Å | |
| C37 | H50 | sing | 1.09Å | 0.00Å | |
| C38 | C39 | sing | 1.51Å | 0.00Å | |
| C38 | H51 | sing | 1.09Å | 0.00Å | |
| C38 | H52 | sing | 1.09Å | 0.00Å | |
| C39 | O14 | doub | 1.21Å | 0.00Å | |
| C39 | O15 | sing | 1.34Å | 0.00Å | |
| O15 | H53 | sing | 0.97Å | 0.00Å | |
| N7 | C40 | sing | 1.47Å | 0.00Å | |
| N7 | H54 | sing | 0.97Å | 0.00Å | |
| C40 | C41 | sing | 1.51Å | 0.00Å | |
| C40 | C42 | sing | 1.53Å | 0.00Å | |
| C40 | H55 | sing | 1.09Å | 0.00Å | |
| C41 | O16 | doub | 1.21Å | 0.00Å | |
| C42 | C43 | sing | 1.53Å | 0.00Å | |
| C42 | H56 | sing | 1.09Å | 0.00Å | |
| C42 | H57 | sing | 1.09Å | 0.00Å | |
| C43 | C44 | sing | 1.51Å | 0.00Å | |
| C43 | H58 | sing | 1.09Å | 0.00Å | |
| C43 | H59 | sing | 1.09Å | 0.00Å | |
| C44 | O17 | doub | 1.21Å | 0.00Å | |
| C44 | O18 | sing | 1.34Å | 0.00Å | |
| O18 | H60 | sing | 0.97Å | 0.00Å | |
| N8 | C45 | sing | 1.46Å | 0.00Å | |
| N8 | H61 | sing | 0.97Å | 0.00Å | |
| C45 | C46 | sing | 1.51Å | 0.00Å | |
| C45 | C47 | sing | 1.53Å | 0.00Å | |
| C45 | H62 | sing | 1.09Å | 0.00Å | |
| C46 | O19 | doub | 1.21Å | 0.00Å | |
| C47 | C48 | sing | 1.51Å | 0.00Å | |
| C47 | H63 | sing | 1.09Å | 0.00Å | |
| C47 | H64 | sing | 1.09Å | 0.00Å | |
| C48 | C49 | doub | 1.38Å | 0.00Å | Aromatic |
| C48 | C50 | sing | 1.38Å | 0.00Å | Aromatic |
| C49 | C51 | sing | 1.38Å | 0.00Å | Aromatic |
| C49 | H65 | sing | 1.08Å | 0.00Å | |
| C50 | C52 | doub | 1.38Å | 0.00Å | Aromatic |
| C50 | H66 | sing | 1.08Å | 0.00Å | |
| C51 | C53 | doub | 1.39Å | 0.00Å | Aromatic |
| C51 | H67 | sing | 1.08Å | 0.00Å | |
| C52 | C53 | sing | 1.39Å | 0.00Å | Aromatic |
| C52 | H68 | sing | 1.08Å | 0.00Å | |
| C53 | O20 | sing | 1.36Å | 0.00Å | |
| O20 | H69 | sing | 0.97Å | 0.00Å | |
| N9 | C54 | sing | 1.47Å | 0.00Å | |
| N9 | H70 | sing | 0.97Å | 0.00Å | |
| C54 | C55 | sing | 1.51Å | 0.00Å | |
| C54 | C56 | sing | 1.53Å | 0.00Å | |
| C54 | H71 | sing | 1.09Å | 0.00Å | |
| C55 | O21 | doub | 1.21Å | 0.00Å | |
| C56 | C57 | sing | 1.53Å | 0.00Å | |
| C56 | H72 | sing | 1.09Å | 0.00Å | |
| C56 | H73 | sing | 1.09Å | 0.00Å | |
| C57 | C58 | sing | 1.53Å | 0.00Å | |
| C57 | C59 | sing | 1.53Å | 0.00Å | |
| C57 | H74 | sing | 1.09Å | 0.00Å | |
| C58 | H75 | sing | 1.09Å | 0.00Å | |
| C58 | H76 | sing | 1.09Å | 0.00Å | |
| C58 | H77 | sing | 1.09Å | 0.00Å | |
| C59 | H78 | sing | 1.09Å | 0.00Å | |
| C59 | H79 | sing | 1.09Å | 0.00Å | |
| C59 | H80 | sing | 1.09Å | 0.00Å | |
| N10 | C60 | sing | 1.46Å | 0.00Å | |
| N10 | H81 | sing | 0.97Å | 0.00Å | |
| C60 | C61 | sing | 1.51Å | 0.00Å | |
| C60 | C62 | sing | 1.53Å | 0.00Å | |
| C60 | H82 | sing | 1.09Å | 0.00Å | |
| C61 | O22 | doub | 1.21Å | 0.00Å | |
| C61 | O24 | sing | 1.34Å | 0.00Å | |
| C62 | C63 | sing | 1.53Å | 0.00Å | |
| C62 | H83 | sing | 1.09Å | 0.00Å | |
| C62 | H84 | sing | 1.09Å | 0.00Å | |
| C63 | C64 | sing | 1.51Å | 0.00Å | |
| C63 | H85 | sing | 1.09Å | 0.00Å | |
| C63 | H86 | sing | 1.09Å | 0.00Å | |
| C64 | O23 | doub | 1.21Å | 0.00Å | |
| C64 | N11 | sing | 1.35Å | 0.00Å | |
| N11 | H87 | sing | 0.97Å | 0.00Å | |
| N11 | H88 | sing | 0.97Å | 0.00Å | |
| O24 | H89 | sing | 0.97Å | 0.00Å | |
| C4 | N1 | sing | 1.35Å | 1.34Å | |
| C6 | N2 | sing | 1.35Å | 1.33Å | |
| C15 | N3 | sing | 1.35Å | 1.33Å | |
| C20 | N4 | sing | 1.35Å | 1.33Å | |
| C25 | N5 | sing | 1.35Å | 1.35Å | |
| C31 | N6 | sing | 1.35Å | 14.07Å | |
| C36 | N7 | sing | 1.35Å | 0.00Å | |
| C41 | N8 | sing | 1.35Å | 0.00Å | |
| C46 | N9 | sing | 1.35Å | 0.00Å | |
| C55 | N10 | sing | 1.35Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 123.6° | 120.1° |
| O1 | C1 | C2 | 118.7° | 120.0° |
| O2 | C1 | C2 | 117.7° | 120.0° |
| C1 | O2 | H1 | 109.5° | 117.0° |
| C1 | C2 | C3 | 112.5° | 109.5° |
| C1 | C2 | H2 | 108.7° | 109.5° |
| C1 | C2 | H3 | 108.7° | 109.5° |
| C3 | C2 | H2 | 108.7° | 109.4° |
| C3 | C2 | H3 | 108.7° | 109.5° |
| C2 | C3 | C4 | 112.6° | 109.5° |
| C2 | C3 | H4 | 108.7° | 109.4° |
| C2 | C3 | H5 | 108.7° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C4 | C3 | H4 | 108.7° | 109.4° |
| C4 | C3 | H5 | 108.7° | 109.5° |
| C3 | C4 | O3 | 120.6° | 120.0° |
| C3 | C4 | N1 | 117.0° | 120.0° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| O3 | C4 | N1 | 122.4° | 120.0° |
| C5 | N1 | H6 | 119.1° | 120.0° |
| N1 | C5 | C6 | 112.3° | 109.5° |
| N1 | C5 | C7 | 110.9° | 109.5° |
| N1 | C5 | H7 | 108.1° | 109.5° |
| C5 | N1 | C4 | 121.8° | 120.0° |
| H6 | N1 | C4 | 119.1° | 120.0° |
| C6 | C5 | C7 | 110.6° | 109.5° |
| C6 | C5 | H7 | 107.5° | 109.4° |
| C5 | C6 | O4 | 120.7° | 120.0° |
| C5 | C6 | N2 | 116.2° | 120.0° |
| C7 | C5 | H7 | 107.4° | 109.5° |
| C5 | C7 | C8 | 113.2° | 109.5° |
| C5 | C7 | H8 | 108.5° | 109.5° |
| C5 | C7 | H9 | 108.5° | 109.5° |
| O4 | C6 | N2 | 123.0° | 120.0° |
| C8 | C7 | H8 | 108.5° | 109.4° |
| C8 | C7 | H9 | 108.5° | 109.5° |
| C7 | C8 | C9 | 120.2° | 120.0° |
| C7 | C8 | C10 | 120.7° | 120.0° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| C9 | C8 | C10 | 119.1° | 120.0° |
| C8 | C9 | C11 | 120.3° | 120.0° |
| C8 | C9 | H10 | 119.8° | 120.0° |
| C8 | C10 | C12 | 120.5° | 120.0° |
| C8 | C10 | H11 | 119.8° | 120.0° |
| C11 | C9 | H10 | 119.8° | 120.0° |
| C9 | C11 | C13 | 119.9° | 120.0° |
| C9 | C11 | H12 | 120.1° | 120.0° |
| C12 | C10 | H11 | 119.7° | 120.0° |
| C10 | C12 | C13 | 120.0° | 120.0° |
| C10 | C12 | H13 | 120.0° | 120.0° |
| C13 | C11 | H12 | 120.0° | 120.0° |
| C11 | C13 | C12 | 120.1° | 120.0° |
| C11 | C13 | H14 | 120.0° | 120.0° |
| C13 | C12 | H13 | 120.0° | 120.0° |
| C12 | C13 | H14 | 119.9° | 120.0° |
| C14 | N2 | H15 | 119.4° | 120.0° |
| N2 | C14 | C15 | 109.0° | 109.5° |
| N2 | C14 | C16 | 109.6° | 109.5° |
| N2 | C14 | H16 | 109.6° | 109.5° |
| C14 | N2 | C6 | 121.0° | 120.0° |
| H15 | N2 | C6 | 119.5° | 120.0° |
| C15 | C14 | C16 | 111.4° | 109.5° |
| C15 | C14 | H16 | 108.6° | 109.4° |
| C14 | C15 | O5 | 121.7° | 120.0° |
| C14 | C15 | N3 | 116.3° | 120.1° |
| C16 | C14 | H16 | 108.6° | 109.4° |
| C14 | C16 | C17 | 113.8° | 109.5° |
| C14 | C16 | H17 | 108.4° | 109.5° |
| C14 | C16 | H18 | 108.4° | 109.5° |
| O5 | C15 | N3 | 122.0° | 119.9° |
| C17 | C16 | H17 | 108.4° | 109.5° |
| C17 | C16 | H18 | 108.4° | 109.5° |
| C16 | C17 | C18 | 113.5° | 109.5° |
| C16 | C17 | H19 | 108.4° | 109.5° |
| C16 | C17 | H20 | 108.5° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| C18 | C17 | H19 | 108.4° | 109.4° |
| C18 | C17 | H20 | 108.4° | 109.5° |
| C17 | C18 | O6 | 119.4° | 120.0° |
| C17 | C18 | O7 | 119.0° | 120.0° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| O6 | C18 | O7 | 121.6° | 120.0° |
| C18 | O7 | H21 | 109.5° | 117.0° |
| C19 | N3 | H22 | 120.0° | 120.0° |
| N3 | C19 | C20 | 110.9° | 109.4° |
| N3 | C19 | C21 | 111.0° | 109.5° |
| N3 | C19 | H23 | 108.6° | 109.4° |
| C19 | N3 | C15 | 119.9° | 120.0° |
| H22 | N3 | C15 | 120.0° | 119.9° |
| C20 | C19 | C21 | 111.0° | 109.5° |
| C20 | C19 | H23 | 107.7° | 109.5° |
| C19 | C20 | O8 | 121.1° | 120.0° |
| C19 | C20 | N4 | 116.0° | 120.0° |
| C21 | C19 | H23 | 107.6° | 109.5° |
| C19 | C21 | C22 | 113.7° | 109.5° |
| C19 | C21 | H24 | 108.4° | 109.5° |
| C19 | C21 | H25 | 108.4° | 109.5° |
| O8 | C20 | N4 | 122.9° | 120.0° |
| C22 | C21 | H24 | 108.4° | 109.4° |
| C22 | C21 | H25 | 108.4° | 109.4° |
| C21 | C22 | C23 | 112.9° | 109.5° |
| C21 | C22 | H26 | 108.6° | 109.5° |
| C21 | C22 | H27 | 108.6° | 109.4° |
| H24 | C21 | H25 | 109.5° | 109.5° |
| C23 | C22 | H26 | 108.6° | 109.5° |
| C23 | C22 | H27 | 108.6° | 109.5° |
| C22 | C23 | O9 | 118.4° | 120.0° |
| C22 | C23 | O10 | 118.8° | 120.0° |
| H26 | C22 | H27 | 109.4° | 109.4° |
| O9 | C23 | O10 | 122.8° | 120.0° |
| C23 | O10 | H28 | 109.5° | 117.1° |
| C24 | N4 | H29 | 119.1° | 120.0° |
| N4 | C24 | C25 | 109.5° | 109.5° |
| N4 | C24 | C26 | 111.8° | 109.5° |
| N4 | C24 | H30 | 108.3° | 109.5° |
| C24 | N4 | C20 | 121.9° | 120.0° |
| H29 | N4 | C20 | 119.0° | 120.0° |
| C25 | C24 | C26 | 112.6° | 109.5° |
| C25 | C24 | H30 | 107.3° | 109.5° |
| C24 | C25 | O11 | 120.1° | 120.0° |
| C24 | C25 | N5 | 117.5° | 120.0° |
| C26 | C24 | H30 | 107.1° | 109.4° |
| C24 | C26 | C27 | 111.9° | 109.5° |
| C24 | C26 | C28 | 109.9° | 109.4° |
| C24 | C26 | H31 | 108.2° | 109.4° |
| O11 | C25 | N5 | 122.3° | 120.0° |
| C27 | C26 | C28 | 109.7° | 109.5° |
| C27 | C26 | H31 | 108.5° | 109.5° |
| C26 | C27 | C29 | 113.6° | 109.5° |
| C26 | C27 | H32 | 108.4° | 109.5° |
| C26 | C27 | H33 | 108.5° | 109.4° |
| C28 | C26 | H31 | 108.5° | 109.5° |
| C26 | C28 | H34 | 109.5° | 109.5° |
| C26 | C28 | H35 | 109.4° | 109.5° |
| C26 | C28 | H36 | 109.4° | 109.5° |
| C29 | C27 | H32 | 108.4° | 109.5° |
| C29 | C27 | H33 | 108.4° | 109.5° |
| C27 | C29 | H37 | 109.5° | 109.5° |
| C27 | C29 | H38 | 109.5° | 109.5° |
| C27 | C29 | H39 | 109.5° | 109.5° |
| H32 | C27 | H33 | 109.5° | 109.4° |
| H34 | C28 | H35 | 109.5° | 109.4° |
| H34 | C28 | H36 | 109.5° | 109.4° |
| H35 | C28 | H36 | 109.5° | 109.5° |
| H37 | C29 | H38 | 109.5° | 109.4° |
| H37 | C29 | H39 | 109.4° | 109.5° |
| H38 | C29 | H39 | 109.5° | 109.5° |
| C30 | N5 | C34 | 110.8° | 108.7° |
| N5 | C30 | C31 | 111.6° | 109.9° |
| N5 | C30 | C32 | 103.6° | 107.3° |
| N5 | C30 | H40 | 110.7° | 109.9° |
| C30 | N5 | C25 | 120.4° | 125.7° |
| N5 | C34 | C33 | 102.9° | 104.8° |
| N5 | C34 | H45 | 111.1° | 110.4° |
| N5 | C34 | H46 | 111.1° | 110.3° |
| C34 | N5 | C25 | 128.9° | 125.7° |
| C31 | C30 | C32 | 111.4° | 109.9° |
| C31 | C30 | H40 | 109.8° | 109.9° |
| C30 | C31 | O12 | 120.9° | 120.0° |
| C30 | C31 | N6 | 39.7° | 120.0° |
| C32 | C30 | H40 | 109.7° | 110.0° |
| C30 | C32 | C33 | 106.0° | 103.0° |
| C30 | C32 | H41 | 110.3° | 110.7° |
| C30 | C32 | H42 | 110.3° | 110.8° |
| O12 | C31 | N6 | 115.5° | 120.0° |
| C33 | C32 | H41 | 110.3° | 110.7° |
| C33 | C32 | H42 | 110.3° | 110.7° |
| C32 | C33 | C34 | 106.0° | 101.4° |
| C32 | C33 | H43 | 110.3° | 111.0° |
| C32 | C33 | H44 | 110.3° | 111.0° |
| H41 | C32 | H42 | 109.5° | 110.7° |
| C34 | C33 | H43 | 110.4° | 111.2° |
| C34 | C33 | H44 | 110.3° | 110.9° |
| C33 | C34 | H45 | 111.1° | 110.5° |
| C33 | C34 | H46 | 111.1° | 110.3° |
| H43 | C33 | H44 | 109.4° | 110.9° |
| H45 | C34 | H46 | 109.4° | 110.4° |
| C35 | N6 | H47 | 90.0° | 120.0° |
| N6 | C35 | C36 | 90.0° | 109.4° |
| N6 | C35 | C37 | 90.0° | 109.5° |
| N6 | C35 | H48 | 90.0° | 109.5° |
| C35 | N6 | C31 | 90.0° | 120.0° |
| H47 | N6 | C31 | 90.0° | 120.0° |
| C36 | C35 | C37 | 90.0° | 109.5° |
| C36 | C35 | H48 | 90.0° | 109.5° |
| C35 | C36 | O13 | 90.0° | 120.0° |
| C35 | C36 | N7 | 90.0° | 119.9° |
| C37 | C35 | H48 | 90.0° | 109.5° |
| C35 | C37 | C38 | 90.0° | 109.5° |
| C35 | C37 | H49 | 90.0° | 109.5° |
| C35 | C37 | H50 | 90.0° | 109.5° |
| O13 | C36 | N7 | 90.0° | 120.0° |
| C38 | C37 | H49 | 90.0° | 109.5° |
| C38 | C37 | H50 | 90.0° | 109.4° |
| C37 | C38 | C39 | 90.0° | 109.5° |
| C37 | C38 | H51 | 90.0° | 109.4° |
| C37 | C38 | H52 | 90.0° | 109.4° |
| H49 | C37 | H50 | 90.0° | 109.4° |
| C39 | C38 | H51 | 90.0° | 109.5° |
| C39 | C38 | H52 | 90.0° | 109.5° |
| C38 | C39 | O14 | 90.0° | 120.0° |
| C38 | C39 | O15 | 90.0° | 120.0° |
| H51 | C38 | H52 | 90.0° | 109.5° |
| O14 | C39 | O15 | 90.0° | 120.0° |
| C39 | O15 | H53 | 90.0° | 117.0° |
| C40 | N7 | H54 | 90.0° | 120.0° |
| N7 | C40 | C41 | 90.0° | 109.5° |
| N7 | C40 | C42 | 90.0° | 109.5° |
| N7 | C40 | H55 | 90.0° | 109.5° |
| C40 | N7 | C36 | 90.0° | 120.0° |
| H54 | N7 | C36 | 90.0° | 120.1° |
| C41 | C40 | C42 | 90.0° | 109.5° |
| C41 | C40 | H55 | 90.0° | 109.5° |
| C40 | C41 | O16 | 90.0° | 120.0° |
| C40 | C41 | N8 | 90.0° | 120.0° |
| C42 | C40 | H55 | 90.0° | 109.4° |
| C40 | C42 | C43 | 90.0° | 109.5° |
| C40 | C42 | H56 | 90.0° | 109.5° |
| C40 | C42 | H57 | 90.0° | 109.4° |
| O16 | C41 | N8 | 90.0° | 120.0° |
| C43 | C42 | H56 | 90.0° | 109.5° |
| C43 | C42 | H57 | 90.0° | 109.5° |
| C42 | C43 | C44 | 90.0° | 109.5° |
| C42 | C43 | H58 | 90.0° | 109.4° |
| C42 | C43 | H59 | 90.0° | 109.5° |
| H56 | C42 | H57 | 90.0° | 109.4° |
| C44 | C43 | H58 | 90.0° | 109.5° |
| C44 | C43 | H59 | 90.0° | 109.5° |
| C43 | C44 | O17 | 90.0° | 120.0° |
| C43 | C44 | O18 | 90.0° | 120.0° |
| H58 | C43 | H59 | 90.0° | 109.5° |
| O17 | C44 | O18 | 90.0° | 120.0° |
| C44 | O18 | H60 | 90.0° | 117.0° |
| C45 | N8 | H61 | 90.0° | 120.0° |
| N8 | C45 | C46 | 90.0° | 109.5° |
| N8 | C45 | C47 | 90.0° | 109.4° |
| N8 | C45 | H62 | 90.0° | 109.5° |
| C45 | N8 | C41 | 90.0° | 120.0° |
| H61 | N8 | C41 | 90.0° | 120.0° |
| C46 | C45 | C47 | 90.0° | 109.4° |
| C46 | C45 | H62 | 90.0° | 109.5° |
| C45 | C46 | O19 | 90.0° | 120.0° |
| C45 | C46 | N9 | 90.0° | 120.0° |
| C47 | C45 | H62 | 90.0° | 109.5° |
| C45 | C47 | C48 | 90.0° | 109.5° |
| C45 | C47 | H63 | 90.0° | 109.5° |
| C45 | C47 | H64 | 90.0° | 109.5° |
| O19 | C46 | N9 | 90.0° | 120.0° |
| C48 | C47 | H63 | 90.0° | 109.4° |
| C48 | C47 | H64 | 90.0° | 109.4° |
| C47 | C48 | C49 | 90.0° | 119.9° |
| C47 | C48 | C50 | 90.0° | 119.9° |
| H63 | C47 | H64 | 90.0° | 109.5° |
| C49 | C48 | C50 | 90.0° | 120.1° |
| C48 | C49 | C51 | 90.0° | 120.0° |
| C48 | C49 | H65 | 90.0° | 120.0° |
| C48 | C50 | C52 | 90.0° | 120.0° |
| C48 | C50 | H66 | 90.0° | 120.0° |
| C51 | C49 | H65 | 90.0° | 120.0° |
| C49 | C51 | C53 | 90.0° | 119.9° |
| C49 | C51 | H67 | 90.0° | 120.0° |
| C52 | C50 | H66 | 90.0° | 119.9° |
| C50 | C52 | C53 | 90.0° | 120.0° |
| C50 | C52 | H68 | 90.0° | 120.0° |
| C53 | C51 | H67 | 90.0° | 120.1° |
| C51 | C53 | C52 | 90.0° | 119.9° |
| C51 | C53 | O20 | 90.0° | 120.0° |
| C53 | C52 | H68 | 90.0° | 120.0° |
| C52 | C53 | O20 | 90.0° | 120.1° |
| C53 | O20 | H69 | 90.0° | 114.0° |
| C54 | N9 | H70 | 90.0° | 120.0° |
| N9 | C54 | C55 | 90.0° | 109.5° |
| N9 | C54 | C56 | 90.0° | 109.4° |
| N9 | C54 | H71 | 90.0° | 109.5° |
| C54 | N9 | C46 | 90.0° | 120.0° |
| H70 | N9 | C46 | 90.0° | 120.1° |
| C55 | C54 | C56 | 90.0° | 109.5° |
| C55 | C54 | H71 | 90.0° | 109.5° |
| C54 | C55 | O21 | 90.0° | 120.0° |
| C54 | C55 | N10 | 90.0° | 120.0° |
| C56 | C54 | H71 | 90.0° | 109.5° |
| C54 | C56 | C57 | 90.0° | 109.5° |
| C54 | C56 | H72 | 90.0° | 109.5° |
| C54 | C56 | H73 | 90.0° | 109.4° |
| O21 | C55 | N10 | 90.0° | 120.0° |
| C57 | C56 | H72 | 90.0° | 109.5° |
| C57 | C56 | H73 | 90.0° | 109.5° |
| C56 | C57 | C58 | 90.0° | 109.5° |
| C56 | C57 | C59 | 90.0° | 109.5° |
| C56 | C57 | H74 | 90.0° | 109.5° |
| H72 | C56 | H73 | 90.0° | 109.5° |
| C58 | C57 | C59 | 90.0° | 109.5° |
| C58 | C57 | H74 | 90.0° | 109.5° |
| C57 | C58 | H75 | 90.0° | 109.4° |
| C57 | C58 | H76 | 90.0° | 109.5° |
| C57 | C58 | H77 | 90.0° | 109.5° |
| C59 | C57 | H74 | 90.0° | 109.4° |
| C57 | C59 | H78 | 90.0° | 109.4° |
| C57 | C59 | H79 | 90.0° | 109.5° |
| C57 | C59 | H80 | 90.0° | 109.5° |
| H75 | C58 | H76 | 90.0° | 109.5° |
| H75 | C58 | H77 | 90.0° | 109.5° |
| H76 | C58 | H77 | 90.0° | 109.5° |
| H78 | C59 | H79 | 90.0° | 109.5° |
| H78 | C59 | H80 | 90.0° | 109.5° |
| H79 | C59 | H80 | 90.0° | 109.5° |
| C60 | N10 | H81 | 90.0° | 120.1° |
| N10 | C60 | C61 | 90.0° | 109.5° |
| N10 | C60 | C62 | 90.0° | 109.4° |
| N10 | C60 | H82 | 90.0° | 109.5° |
| C60 | N10 | C55 | 90.0° | 120.0° |
| H81 | N10 | C55 | 90.0° | 120.0° |
| C61 | C60 | C62 | 90.0° | 109.5° |
| C61 | C60 | H82 | 90.0° | 109.5° |
| C60 | C61 | O22 | 90.0° | 120.0° |
| C60 | C61 | O24 | 90.0° | 120.0° |
| C62 | C60 | H82 | 90.0° | 109.4° |
| C60 | C62 | C63 | 90.0° | 109.5° |
| C60 | C62 | H83 | 90.0° | 109.5° |
| C60 | C62 | H84 | 90.0° | 109.5° |
| O22 | C61 | O24 | 90.0° | 120.0° |
| C61 | O24 | H89 | 90.0° | 117.0° |
| C63 | C62 | H83 | 90.0° | 109.5° |
| C63 | C62 | H84 | 90.0° | 109.4° |
| C62 | C63 | C64 | 90.0° | 109.5° |
| C62 | C63 | H85 | 90.0° | 109.5° |
| C62 | C63 | H86 | 90.0° | 109.5° |
| H83 | C62 | H84 | 90.0° | 109.4° |
| C64 | C63 | H85 | 90.0° | 109.5° |
| C64 | C63 | H86 | 90.0° | 109.4° |
| C63 | C64 | O23 | 90.0° | 120.0° |
| C63 | C64 | N11 | 90.0° | 120.0° |
| H85 | C63 | H86 | 90.0° | 109.5° |
| O23 | C64 | N11 | 90.0° | 120.0° |
| C64 | N11 | H87 | 90.0° | 119.9° |
| C64 | N11 | H88 | 90.0° | 120.0° |
| H87 | N11 | H88 | 90.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 179.4° | 179.7° |
| O1 | C1 | O2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | C3 | 10.3° | 0.0° |
| O1 | C1 | C2 | H2 | 110.2° | 120.0° |
| O1 | C1 | C2 | H3 | 130.7° | 120.0° |
| O2 | C1 | C2 | C3 | 170.3° | 179.7° |
| O2 | C1 | C2 | H2 | 69.2° | 60.3° |
| O2 | C1 | C2 | H3 | 49.9° | 59.7° |
| C2 | C1 | O2 | H1 | 179.4° | 179.7° |
| C1 | C2 | C3 | H2 | 120.5° | 120.0° |
| C1 | C2 | C3 | H3 | 120.4° | 120.1° |
| C1 | C2 | H2 | H3 | 118.6° | 120.0° |
| C1 | C2 | C3 | C4 | 67.7° | 180.0° |
| C1 | C2 | C3 | H4 | 52.8° | 60.0° |
| C1 | C2 | C3 | H5 | 171.9° | 60.0° |
| C3 | C2 | H2 | H3 | 118.6° | 120.0° |
| C2 | C3 | C4 | H4 | 120.5° | 120.0° |
| C2 | C3 | C4 | H5 | 120.5° | 120.0° |
| C2 | C3 | H4 | H5 | 118.6° | 120.0° |
| C2 | C3 | C4 | O3 | 30.4° | 0.1° |
| C2 | C3 | C4 | N1 | 152.1° | 180.0° |
| H2 | C2 | C3 | C4 | 171.9° | 60.0° |
| H2 | C2 | C3 | H4 | 67.7° | 180.0° |
| H2 | C2 | C3 | H5 | 51.4° | 60.0° |
| H3 | C2 | C3 | C4 | 52.8° | 59.9° |
| H3 | C2 | C3 | H4 | 173.2° | 60.1° |
| H3 | C2 | C3 | H5 | 67.7° | 180.0° |
| C4 | C3 | H4 | H5 | 118.6° | 120.0° |
| C3 | C4 | O3 | N1 | 177.4° | 180.0° |
| C3 | C4 | N1 | C5 | 178.6° | 180.0° |
| C3 | C4 | N1 | H6 | 1.4° | 0.0° |
| H4 | C3 | C4 | O3 | 150.9° | 120.0° |
| H4 | C3 | C4 | N1 | 31.6° | 60.0° |
| H5 | C3 | C4 | O3 | 90.0° | 120.0° |
| H5 | C3 | C4 | N1 | 87.5° | 60.0° |
| O3 | C4 | N1 | C5 | 4.0° | 0.0° |
| O3 | C4 | N1 | H6 | 176.1° | 179.9° |
| C5 | N1 | H6 | C4 | 180.0° | 180.0° |
| N1 | C5 | C6 | C7 | 124.4° | 120.1° |
| N1 | C5 | C6 | H7 | 118.7° | 120.0° |
| N1 | C5 | C7 | H7 | 117.9° | 120.0° |
| N1 | C5 | C6 | O4 | 39.1° | 0.0° |
| N1 | C5 | C7 | C8 | 71.6° | 65.0° |
| N1 | C5 | C7 | H8 | 48.9° | 55.0° |
| N1 | C5 | C7 | H9 | 167.8° | 175.0° |
| N1 | C5 | C6 | N2 | 139.7° | 180.0° |
| H6 | N1 | C5 | C6 | 91.6° | 25.0° |
| H6 | N1 | C5 | C7 | 32.7° | 95.0° |
| H6 | N1 | C5 | H7 | 150.1° | 145.0° |
| C6 | C5 | C7 | H7 | 117.0° | 120.0° |
| C5 | C6 | O4 | N2 | 178.8° | 180.0° |
| C6 | C5 | C7 | C8 | 163.2° | 175.0° |
| C6 | C5 | C7 | H8 | 76.3° | 65.1° |
| C6 | C5 | C7 | H9 | 42.6° | 55.0° |
| C5 | C6 | N2 | C14 | 174.1° | 180.0° |
| C5 | C6 | N2 | H15 | 5.9° | 0.0° |
| C6 | C5 | N1 | C4 | 88.5° | 155.0° |
| C7 | C5 | C6 | O4 | 85.3° | 120.0° |
| C5 | C7 | C8 | H8 | 120.5° | 119.9° |
| C5 | C7 | C8 | H9 | 120.5° | 120.1° |
| C5 | C7 | H8 | H9 | 118.3° | 120.1° |
| C5 | C7 | C8 | C9 | 95.9° | 90.0° |
| C5 | C7 | C8 | C10 | 82.4° | 90.3° |
| C7 | C5 | N1 | C4 | 147.3° | 85.0° |
| C7 | C5 | C6 | N2 | 95.9° | 60.0° |
| H7 | C5 | C6 | O4 | 157.8° | 120.0° |
| H7 | C5 | C7 | C8 | 46.2° | 55.0° |
| H7 | C5 | C7 | H8 | 166.8° | 175.0° |
| H7 | C5 | C7 | H9 | 74.3° | 65.0° |
| H7 | C5 | N1 | C4 | 29.9° | 35.0° |
| H7 | C5 | C6 | N2 | 21.0° | 60.0° |
| O4 | C6 | N2 | C14 | 7.1° | 0.0° |
| O4 | C6 | N2 | H15 | 172.9° | 180.0° |
| C8 | C7 | H8 | H9 | 118.3° | 120.0° |
| C7 | C8 | C9 | C10 | 178.3° | 179.7° |
| C7 | C8 | C9 | C11 | 179.9° | 180.0° |
| C7 | C8 | C9 | H10 | 0.1° | 0.0° |
| C7 | C8 | C10 | C12 | 179.5° | 180.0° |
| C7 | C8 | C10 | H11 | 0.5° | 0.0° |
| H8 | C7 | C8 | C9 | 143.5° | 30.0° |
| H8 | C7 | C8 | C10 | 38.2° | 149.7° |
| H9 | C7 | C8 | C9 | 24.6° | 150.0° |
| H9 | C7 | C8 | C10 | 157.1° | 29.7° |
| C8 | C9 | C11 | H10 | 180.0° | 180.0° |
| C9 | C8 | C10 | C12 | 1.2° | 0.3° |
| C9 | C8 | C10 | H11 | 178.8° | 179.7° |
| C8 | C9 | C11 | C13 | 1.3° | 0.0° |
| C8 | C9 | C11 | H12 | 178.7° | 179.9° |
| C10 | C8 | C9 | C11 | 1.6° | 0.3° |
| C10 | C8 | C9 | H10 | 178.4° | 179.7° |
| C8 | C10 | C12 | H11 | 180.0° | 179.9° |
| C8 | C10 | C12 | C13 | 0.6° | 0.1° |
| C8 | C10 | C12 | H13 | 179.4° | 180.0° |
| C9 | C11 | C13 | H12 | 180.0° | 180.0° |
| C9 | C11 | C13 | C12 | 0.7° | 0.2° |
| C9 | C11 | C13 | H14 | 179.3° | 180.0° |
| H10 | C9 | C11 | C13 | 178.7° | 180.0° |
| H10 | C9 | C11 | H12 | 1.3° | 0.0° |
| C10 | C12 | C13 | C11 | 0.3° | 0.2° |
| C10 | C12 | C13 | H13 | 180.0° | 179.9° |
| C10 | C12 | C13 | H14 | 179.7° | 180.0° |
| H11 | C10 | C12 | C13 | 179.4° | 180.0° |
| H11 | C10 | C12 | H13 | 0.6° | 0.1° |
| C11 | C13 | C12 | H14 | 180.0° | 179.8° |
| C11 | C13 | C12 | H13 | 179.7° | 179.7° |
| H12 | C11 | C13 | C12 | 179.3° | 179.8° |
| H12 | C11 | C13 | H14 | 0.7° | 0.0° |
| H13 | C12 | C13 | H14 | 0.3° | 0.1° |
| C14 | N2 | H15 | C6 | 180.0° | 180.0° |
| N2 | C14 | C15 | C16 | 121.0° | 120.1° |
| N2 | C14 | C15 | H16 | 119.4° | 120.0° |
| N2 | C14 | C16 | H16 | 119.7° | 120.0° |
| N2 | C14 | C15 | O5 | 32.9° | 0.1° |
| N2 | C14 | C16 | C17 | 175.5° | 65.0° |
| N2 | C14 | C16 | H17 | 63.8° | 55.0° |
| N2 | C14 | C16 | H18 | 54.9° | 175.0° |
| N2 | C14 | C15 | N3 | 145.3° | 180.0° |
| H15 | N2 | C14 | C15 | 110.9° | 25.0° |
| H15 | N2 | C14 | C16 | 11.2° | 95.0° |
| H15 | N2 | C14 | H16 | 130.3° | 145.0° |
| C15 | C14 | C16 | H16 | 119.6° | 119.9° |
| C14 | C15 | O5 | N3 | 178.1° | 179.9° |
| C15 | C14 | C16 | C17 | 54.8° | 175.0° |
| C15 | C14 | C16 | H17 | 175.5° | 65.1° |
| C15 | C14 | C16 | H18 | 65.8° | 55.0° |
| C14 | C15 | N3 | C19 | 179.7° | 180.0° |
| C14 | C15 | N3 | H22 | 0.3° | 0.1° |
| C15 | C14 | N2 | C6 | 69.1° | 155.0° |
| C16 | C14 | C15 | O5 | 88.1° | 120.0° |
| C14 | C16 | C17 | H17 | 120.7° | 120.0° |
| C14 | C16 | C17 | H18 | 120.6° | 120.0° |
| C14 | C16 | H17 | H18 | 118.0° | 120.0° |
| C14 | C16 | C17 | C18 | 172.8° | 180.0° |
| C14 | C16 | C17 | H19 | 66.6° | 60.1° |
| C14 | C16 | C17 | H20 | 52.2° | 60.0° |
| C16 | C14 | N2 | C6 | 168.8° | 85.0° |
| C16 | C14 | C15 | N3 | 93.6° | 59.9° |
| H16 | C14 | C15 | O5 | 152.3° | 120.1° |
| H16 | C14 | C16 | C17 | 64.8° | 55.1° |
| H16 | C14 | C16 | H17 | 55.9° | 175.0° |
| H16 | C14 | C16 | H18 | 174.6° | 64.9° |
| H16 | C14 | N2 | C6 | 49.7° | 35.0° |
| H16 | C14 | C15 | N3 | 25.9° | 60.0° |
| O5 | C15 | N3 | C19 | 2.1° | 0.1° |
| O5 | C15 | N3 | H22 | 177.9° | 180.0° |
| C17 | C16 | H17 | H18 | 118.0° | 120.0° |
| C16 | C17 | C18 | H19 | 120.6° | 120.0° |
| C16 | C17 | C18 | H20 | 120.6° | 120.0° |
| C16 | C17 | H19 | H20 | 118.2° | 120.1° |
| C16 | C17 | C18 | O6 | 18.7° | 0.0° |
| C16 | C17 | C18 | O7 | 161.3° | 180.0° |
| H17 | C16 | C17 | C18 | 52.2° | 60.0° |
| H17 | C16 | C17 | H19 | 172.7° | 179.9° |
| H17 | C16 | C17 | H20 | 68.4° | 60.0° |
| H18 | C16 | C17 | C18 | 66.5° | 60.0° |
| H18 | C16 | C17 | H19 | 54.0° | 59.9° |
| H18 | C16 | C17 | H20 | 172.9° | 180.0° |
| C18 | C17 | H19 | H20 | 118.1° | 120.0° |
| C17 | C18 | O6 | O7 | 179.9° | 179.9° |
| C17 | C18 | O7 | H21 | 179.9° | 180.0° |
| H19 | C17 | C18 | O6 | 101.8° | 120.0° |
| H19 | C17 | C18 | O7 | 78.1° | 60.0° |
| H20 | C17 | C18 | O6 | 139.3° | 120.0° |
| H20 | C17 | C18 | O7 | 40.7° | 60.0° |
| O6 | C18 | O7 | H21 | 0.0° | 0.1° |
| C19 | N3 | H22 | C15 | 180.0° | 179.9° |
| N3 | C19 | C20 | C21 | 123.8° | 120.0° |
| N3 | C19 | C20 | H23 | 118.7° | 120.0° |
| N3 | C19 | C21 | H23 | 118.7° | 120.0° |
| N3 | C19 | C20 | O8 | 31.7° | 0.0° |
| N3 | C19 | C21 | C22 | 70.5° | 65.0° |
| N3 | C19 | C21 | H24 | 50.1° | 55.0° |
| N3 | C19 | C21 | H25 | 168.8° | 175.0° |
| N3 | C19 | C20 | N4 | 147.5° | 180.0° |
| H22 | N3 | C19 | C20 | 117.1° | 25.1° |
| H22 | N3 | C19 | C21 | 6.7° | 94.9° |
| H22 | N3 | C19 | H23 | 124.8° | 145.1° |
| C20 | C19 | C21 | H23 | 117.5° | 120.0° |
| C19 | C20 | O8 | N4 | 179.2° | 180.0° |
| C20 | C19 | C21 | C22 | 165.7° | 175.0° |
| C20 | C19 | C21 | H24 | 73.6° | 65.0° |
| C20 | C19 | C21 | H25 | 45.1° | 55.0° |
| C19 | C20 | N4 | C24 | 179.3° | 180.0° |
| C19 | C20 | N4 | H29 | 0.7° | 0.1° |
| C20 | C19 | N3 | C15 | 62.9° | 155.0° |
| C21 | C19 | C20 | O8 | 92.1° | 120.0° |
| C19 | C21 | C22 | H24 | 120.6° | 120.0° |
| C19 | C21 | C22 | H25 | 120.6° | 120.0° |
| C19 | C21 | H24 | H25 | 118.0° | 120.1° |
| C19 | C21 | C22 | C23 | 63.7° | 180.0° |
| C19 | C21 | C22 | H26 | 56.9° | 60.0° |
| C19 | C21 | C22 | H27 | 175.8° | 60.0° |
| C21 | C19 | N3 | C15 | 173.3° | 84.9° |
| C21 | C19 | C20 | N4 | 88.7° | 60.0° |
| H23 | C19 | C20 | O8 | 150.4° | 120.0° |
| H23 | C19 | C21 | C22 | 48.2° | 55.0° |
| H23 | C19 | C21 | H24 | 168.8° | 175.0° |
| H23 | C19 | C21 | H25 | 72.5° | 65.0° |
| H23 | C19 | N3 | C15 | 55.3° | 35.1° |
| H23 | C19 | C20 | N4 | 28.8° | 60.0° |
| O8 | C20 | N4 | C24 | 1.5° | 0.0° |
| O8 | C20 | N4 | H29 | 178.5° | 180.0° |
| C22 | C21 | H24 | H25 | 118.1° | 119.9° |
| C21 | C22 | C23 | H26 | 120.5° | 120.0° |
| C21 | C22 | C23 | H27 | 120.5° | 120.0° |
| C21 | C22 | H26 | H27 | 118.4° | 119.9° |
| C21 | C22 | C23 | O9 | 121.8° | 0.0° |
| C21 | C22 | C23 | O10 | 57.8° | 180.0° |
| H24 | C21 | C22 | C23 | 175.7° | 60.0° |
| H24 | C21 | C22 | H26 | 63.8° | 180.0° |
| H24 | C21 | C22 | H27 | 55.2° | 60.0° |
| H25 | C21 | C22 | C23 | 57.0° | 60.0° |
| H25 | C21 | C22 | H26 | 177.5° | 60.1° |
| H25 | C21 | C22 | H27 | 63.6° | NaN° |
| C23 | C22 | H26 | H27 | 118.4° | 120.0° |
| C22 | C23 | O9 | O10 | 179.6° | 180.0° |
| C22 | C23 | O10 | H28 | 179.6° | 180.0° |
| H26 | C22 | C23 | O9 | 1.3° | 120.0° |
| H26 | C22 | C23 | O10 | 178.3° | 60.0° |
| H27 | C22 | C23 | O9 | 117.6° | 120.0° |
| H27 | C22 | C23 | O10 | 62.7° | 60.0° |
| O9 | C23 | O10 | H28 | 0.0° | 0.0° |
| C24 | N4 | H29 | C20 | 180.0° | 179.9° |
| N4 | C24 | C25 | C26 | 125.1° | 120.0° |
| N4 | C24 | C25 | H30 | 117.4° | 120.0° |
| N4 | C24 | C26 | H30 | 118.5° | 120.0° |
| N4 | C24 | C25 | O11 | 42.6° | 26.0° |
| N4 | C24 | C26 | C27 | 60.8° | 56.2° |
| N4 | C24 | C26 | C28 | 61.3° | 63.8° |
| N4 | C24 | C26 | H31 | 179.7° | 176.2° |
| N4 | C24 | C25 | N5 | 135.5° | 154.1° |
| H29 | N4 | C24 | C25 | 73.5° | 25.1° |
| H29 | N4 | C24 | C26 | 52.0° | 95.0° |
| H29 | N4 | C24 | H30 | 169.7° | 145.1° |
| C25 | C24 | C26 | H30 | 117.7° | 120.0° |
| C24 | C25 | O11 | N5 | 178.0° | 179.9° |
| C25 | C24 | C26 | C27 | 63.0° | 63.9° |
| C25 | C24 | C26 | C28 | 174.9° | 176.1° |
| C25 | C24 | C26 | H31 | 56.5° | 56.1° |
| C24 | C25 | N5 | C30 | 176.6° | 175.3° |
| C24 | C25 | N5 | C34 | 2.4° | 4.2° |
| C25 | C24 | N4 | C20 | 106.5° | 155.0° |
| C26 | C24 | C25 | O11 | 82.4° | 94.0° |
| C24 | C26 | C27 | C28 | 122.2° | 120.0° |
| C24 | C26 | C27 | H31 | 119.3° | 120.0° |
| C24 | C26 | C28 | H31 | 118.2° | 120.0° |
| C24 | C26 | C27 | C29 | 172.1° | 175.0° |
| C24 | C26 | C27 | H32 | 51.5° | 65.0° |
| C24 | C26 | C27 | H33 | 67.3° | 55.0° |
| C24 | C26 | C28 | H34 | 180.0° | 180.0° |
| C24 | C26 | C28 | H35 | 60.0° | 60.1° |
| C24 | C26 | C28 | H36 | 60.0° | 60.0° |
| C26 | C24 | N4 | C20 | 128.0° | 85.0° |
| C26 | C24 | C25 | N5 | 99.4° | 85.8° |
| H30 | C24 | C25 | O11 | 160.0° | 146.0° |
| H30 | C24 | C26 | C27 | 179.3° | 176.1° |
| H30 | C24 | C26 | C28 | 57.2° | 56.2° |
| H30 | C24 | C26 | H31 | 61.2° | 63.8° |
| H30 | C24 | N4 | C20 | 10.2° | 35.0° |
| H30 | C24 | C25 | N5 | 18.1° | 34.1° |
| O11 | C25 | N5 | C30 | 5.3° | 4.8° |
| O11 | C25 | N5 | C34 | 175.7° | 175.7° |
| C27 | C26 | C28 | H31 | 118.4° | 120.1° |
| C26 | C27 | C29 | H32 | 120.6° | 120.0° |
| C26 | C27 | C29 | H33 | 120.6° | 120.0° |
| C26 | C27 | H32 | H33 | 118.2° | 120.0° |
| C27 | C26 | C28 | H34 | 56.6° | 60.0° |
| C27 | C26 | C28 | H35 | 176.6° | 179.9° |
| C27 | C26 | C28 | H36 | 63.4° | 59.9° |
| C26 | C27 | C29 | H37 | 180.0° | 60.0° |
| C26 | C27 | C29 | H38 | 60.0° | 59.9° |
| C26 | C27 | C29 | H39 | 60.0° | 180.0° |
| C28 | C26 | C27 | C29 | 49.9° | 65.0° |
| C28 | C26 | C27 | H32 | 70.7° | 55.0° |
| C28 | C26 | C27 | H33 | 170.5° | 175.0° |
| C26 | C28 | H34 | H35 | 120.0° | 120.0° |
| C26 | C28 | H34 | H36 | 120.0° | 120.0° |
| C26 | C28 | H35 | H36 | 120.0° | 120.1° |
| H31 | C26 | C27 | C29 | 68.6° | 55.0° |
| H31 | C26 | C27 | H32 | 170.8° | 175.0° |
| H31 | C26 | C27 | H33 | 52.0° | 65.0° |
| H31 | C26 | C28 | H34 | 61.8° | 60.1° |
| H31 | C26 | C28 | H35 | 58.2° | 59.9° |
| H31 | C26 | C28 | H36 | 178.2° | 180.0° |
| C29 | C27 | H32 | H33 | 118.1° | 120.0° |
| C27 | C29 | H37 | H38 | 120.0° | 119.9° |
| C27 | C29 | H37 | H39 | 120.0° | 120.0° |
| C27 | C29 | H38 | H39 | 120.0° | 120.0° |
| H32 | C27 | C29 | H37 | 59.4° | 180.0° |
| H32 | C27 | C29 | H38 | 179.4° | 60.1° |
| H32 | C27 | C29 | H39 | 60.6° | 60.0° |
| H33 | C27 | C29 | H37 | 59.4° | 60.0° |
| H33 | C27 | C29 | H38 | 60.6° | 179.9° |
| H33 | C27 | C29 | H39 | 179.4° | 60.0° |
| H34 | C28 | H35 | H36 | 120.0° | 120.0° |
| H37 | C29 | H38 | H39 | 120.0° | 120.0° |
| C30 | N5 | C34 | C25 | 179.1° | 179.6° |
| N5 | C30 | C31 | C32 | 115.2° | 117.8° |
| N5 | C30 | C31 | H40 | 123.1° | 121.0° |
| N5 | C30 | C32 | H40 | 118.2° | 119.5° |
| N5 | C30 | C31 | O12 | 128.5° | 0.0° |
| N5 | C30 | C32 | C33 | 12.4° | 22.2° |
| N5 | C30 | C32 | H41 | 107.1° | 140.6° |
| N5 | C30 | C32 | H42 | 131.8° | 96.2° |
| C30 | N5 | C34 | C33 | 26.0° | 24.5° |
| C30 | N5 | C34 | H45 | 144.9° | 94.5° |
| C30 | N5 | C34 | H46 | 93.0° | 143.2° |
| N5 | C30 | C31 | N6 | 34.8° | 180.0° |
| C34 | N5 | C30 | C31 | 111.3° | 120.8° |
| C34 | N5 | C30 | C32 | 8.6° | 1.3° |
| C34 | N5 | C30 | H40 | 126.1° | 118.2° |
| N5 | C34 | C33 | C32 | 33.1° | 37.3° |
| N5 | C34 | C33 | H45 | 118.9° | 118.9° |
| N5 | C34 | C33 | H46 | 118.9° | 118.7° |
| N5 | C34 | C33 | H43 | 152.6° | 80.8° |
| N5 | C34 | C33 | H44 | 86.3° | 155.3° |
| N5 | C34 | H45 | H46 | 123.0° | 122.2° |
| C31 | C30 | C32 | H40 | 121.7° | 121.1° |
| C30 | C31 | O12 | N6 | 44.9° | 179.9° |
| C31 | C30 | C32 | C33 | 132.4° | 97.2° |
| C31 | C30 | C32 | H41 | 13.0° | 21.2° |
| C31 | C30 | C32 | H42 | 108.1° | 144.4° |
| C30 | C31 | N6 | C35 | 90.0° | 180.0° |
| C30 | C31 | N6 | H47 | 90.0° | 0.1° |
| C31 | C30 | N5 | C25 | 67.9° | 59.6° |
| C32 | C30 | C31 | O12 | 13.3° | 117.8° |
| C30 | C32 | C33 | H41 | 119.5° | 118.4° |
| C30 | C32 | C33 | H42 | 119.4° | 118.4° |
| C30 | C32 | H41 | H42 | 121.6° | 123.3° |
| C30 | C32 | C33 | C34 | 28.7° | 35.7° |
| C30 | C32 | C33 | H43 | 148.1° | 82.6° |
| C30 | C32 | C33 | H44 | 90.8° | 153.6° |
| C32 | C30 | N5 | C25 | 172.2° | 179.0° |
| C32 | C30 | C31 | N6 | 80.5° | 62.2° |
| H40 | C30 | C31 | O12 | 108.3° | 121.0° |
| H40 | C30 | C32 | C33 | 105.8° | 141.7° |
| H40 | C30 | C32 | H41 | 134.7° | 100.0° |
| H40 | C30 | C32 | H42 | 13.6° | 23.3° |
| H40 | C30 | N5 | C25 | 54.7° | 61.4° |
| H40 | C30 | C31 | N6 | 157.9° | 59.0° |
| O12 | C31 | N6 | C35 | 90.0° | 0.1° |
| O12 | C31 | N6 | H47 | 90.0° | 179.9° |
| C33 | C32 | H41 | H42 | 121.6° | 123.2° |
| C32 | C33 | C34 | H43 | 119.5° | 118.1° |
| C32 | C33 | C34 | H44 | 119.4° | 117.9° |
| C32 | C33 | H43 | H44 | 121.6° | 123.9° |
| C32 | C33 | C34 | H45 | 152.1° | 81.6° |
| C32 | C33 | C34 | H46 | 85.8° | 156.0° |
| H41 | C32 | C33 | C34 | 90.8° | 154.1° |
| H41 | C32 | C33 | H43 | 28.7° | 35.8° |
| H41 | C32 | C33 | H44 | 149.7° | 88.0° |
| H42 | C32 | C33 | C34 | 148.1° | 82.8° |
| H42 | C32 | C33 | H43 | 92.4° | 159.0° |
| H42 | C32 | C33 | H44 | 28.6° | 35.1° |
| C34 | C33 | H43 | H44 | 121.6° | 124.0° |
| C33 | C34 | H45 | H46 | 123.1° | 122.3° |
| C33 | C34 | N5 | C25 | 154.9° | 155.9° |
| H43 | C33 | C34 | H45 | 88.5° | 160.3° |
| H43 | C33 | C34 | H46 | 33.7° | 38.0° |
| H44 | C33 | C34 | H45 | 32.6° | 36.4° |
| H44 | C33 | C34 | H46 | 154.7° | 86.0° |
| H45 | C34 | N5 | C25 | 36.0° | 85.1° |
| H46 | C34 | N5 | C25 | 86.1° | 37.1° |
| C35 | N6 | H47 | C31 | 90.0° | 179.9° |
| N6 | C35 | C36 | C37 | 90.0° | 120.0° |
| N6 | C35 | C36 | H48 | 90.0° | 120.0° |
| N6 | C35 | C37 | H48 | 90.0° | 120.0° |
| N6 | C35 | C36 | O13 | 90.0° | 0.0° |
| N6 | C35 | C37 | C38 | 90.0° | 65.0° |
| N6 | C35 | C37 | H49 | 90.0° | 175.0° |
| N6 | C35 | C37 | H50 | 90.0° | 55.0° |
| N6 | C35 | C36 | N7 | 90.0° | 180.0° |
| H47 | N6 | C35 | C36 | 90.0° | 24.9° |
| H47 | N6 | C35 | C37 | 90.0° | 95.1° |
| H47 | N6 | C35 | H48 | 90.0° | 144.9° |
| C36 | C35 | C37 | H48 | 90.0° | 120.0° |
| C35 | C36 | O13 | N7 | 90.0° | 179.9° |
| C36 | C35 | C37 | C38 | 90.0° | 175.0° |
| C36 | C35 | C37 | H49 | 90.0° | 55.0° |
| C36 | C35 | C37 | H50 | 90.0° | 65.0° |
| C35 | C36 | N7 | C40 | 90.0° | 180.0° |
| C35 | C36 | N7 | H54 | 90.0° | 0.1° |
| C36 | C35 | N6 | C31 | 90.0° | 154.9° |
| C37 | C35 | C36 | O13 | 90.0° | 119.9° |
| C35 | C37 | C38 | H49 | 90.0° | 120.0° |
| C35 | C37 | C38 | H50 | 90.0° | 120.0° |
| C35 | C37 | H49 | H50 | 90.0° | 120.0° |
| C35 | C37 | C38 | C39 | 90.0° | 180.0° |
| C35 | C37 | C38 | H51 | 90.0° | 60.0° |
| C35 | C37 | C38 | H52 | 90.0° | 60.0° |
| C37 | C35 | N6 | C31 | 90.0° | 85.0° |
| C37 | C35 | C36 | N7 | 90.0° | 60.0° |
| H48 | C35 | C36 | O13 | 90.0° | 120.0° |
| H48 | C35 | C37 | C38 | 90.0° | 55.0° |
| H48 | C35 | C37 | H49 | 90.0° | 65.0° |
| H48 | C35 | C37 | H50 | 90.0° | 175.0° |
| H48 | C35 | N6 | C31 | 90.0° | 35.0° |
| H48 | C35 | C36 | N7 | 90.0° | 60.1° |
| O13 | C36 | N7 | C40 | 90.0° | 0.1° |
| O13 | C36 | N7 | H54 | 90.0° | 180.0° |
| C38 | C37 | H49 | H50 | 90.0° | 120.0° |
| C37 | C38 | C39 | H51 | 90.0° | 120.0° |
| C37 | C38 | C39 | H52 | 90.0° | 120.0° |
| C37 | C38 | H51 | H52 | 90.0° | 120.0° |
| C37 | C38 | C39 | O14 | 90.0° | 0.0° |
| C37 | C38 | C39 | O15 | 90.0° | 180.0° |
| H49 | C37 | C38 | C39 | 90.0° | 60.0° |
| H49 | C37 | C38 | H51 | 90.0° | 180.0° |
| H49 | C37 | C38 | H52 | 90.0° | 60.0° |
| H50 | C37 | C38 | C39 | 90.0° | 60.0° |
| H50 | C37 | C38 | H51 | 90.0° | 60.0° |
| H50 | C37 | C38 | H52 | 90.0° | 180.0° |
| C39 | C38 | H51 | H52 | 90.0° | 120.0° |
| C38 | C39 | O14 | O15 | 90.0° | 180.0° |
| C38 | C39 | O15 | H53 | 90.0° | 180.0° |
| H51 | C38 | C39 | O14 | 90.0° | 119.9° |
| H51 | C38 | C39 | O15 | 90.0° | 60.0° |
| H52 | C38 | C39 | O14 | 90.0° | 120.0° |
| H52 | C38 | C39 | O15 | 90.0° | 60.0° |
| O14 | C39 | O15 | H53 | 90.0° | 0.0° |
| C40 | N7 | H54 | C36 | 90.0° | 179.9° |
| N7 | C40 | C41 | C42 | 90.0° | 120.0° |
| N7 | C40 | C41 | H55 | 90.0° | 120.0° |
| N7 | C40 | C42 | H55 | 90.0° | 120.0° |
| N7 | C40 | C41 | O16 | 90.0° | 0.1° |
| N7 | C40 | C42 | C43 | 90.0° | 65.0° |
| N7 | C40 | C42 | H56 | 90.0° | 175.0° |
| N7 | C40 | C42 | H57 | 90.0° | 55.0° |
| N7 | C40 | C41 | N8 | 90.0° | 180.0° |
| H54 | N7 | C40 | C41 | 90.0° | 25.1° |
| H54 | N7 | C40 | C42 | 90.0° | 95.0° |
| H54 | N7 | C40 | H55 | 90.0° | 145.1° |
| C41 | C40 | C42 | H55 | 90.0° | 120.0° |
| C40 | C41 | O16 | N8 | 90.0° | 180.0° |
| C41 | C40 | C42 | C43 | 90.0° | 175.0° |
| C41 | C40 | C42 | H56 | 90.0° | 55.0° |
| C41 | C40 | C42 | H57 | 90.0° | 65.0° |
| C40 | C41 | N8 | C45 | 90.0° | 179.9° |
| C40 | C41 | N8 | H61 | 90.0° | 0.0° |
| C41 | C40 | N7 | C36 | 90.0° | 155.0° |
| C42 | C40 | C41 | O16 | 90.0° | 120.0° |
| C40 | C42 | C43 | H56 | 90.0° | 120.0° |
| C40 | C42 | C43 | H57 | 90.0° | 120.0° |
| C40 | C42 | H56 | H57 | 90.0° | 120.0° |
| C40 | C42 | C43 | C44 | 90.0° | 180.0° |
| C40 | C42 | C43 | H58 | 90.0° | 60.0° |
| C40 | C42 | C43 | H59 | 90.0° | 60.0° |
| C42 | C40 | N7 | C36 | 90.0° | 85.0° |
| C42 | C40 | C41 | N8 | 90.0° | 60.0° |
| H55 | C40 | C41 | O16 | 90.0° | 120.1° |
| H55 | C40 | C42 | C43 | 90.0° | 55.0° |
| H55 | C40 | C42 | H56 | 90.0° | 65.0° |
| H55 | C40 | C42 | H57 | 90.0° | 175.0° |
| H55 | C40 | N7 | C36 | 90.0° | 35.0° |
| H55 | C40 | C41 | N8 | 90.0° | 60.0° |
| O16 | C41 | N8 | C45 | 90.0° | 0.0° |
| O16 | C41 | N8 | H61 | 90.0° | 179.9° |
| C43 | C42 | H56 | H57 | 90.0° | 120.0° |
| C42 | C43 | C44 | H58 | 90.0° | 119.9° |
| C42 | C43 | C44 | H59 | 90.0° | 120.0° |
| C42 | C43 | H58 | H59 | 90.0° | 120.0° |
| C42 | C43 | C44 | O17 | 90.0° | 0.0° |
| C42 | C43 | C44 | O18 | 90.0° | 180.0° |
| H56 | C42 | C43 | C44 | 90.0° | 60.0° |
| H56 | C42 | C43 | H58 | 90.0° | 180.0° |
| H56 | C42 | C43 | H59 | 90.0° | 60.0° |
| H57 | C42 | C43 | C44 | 90.0° | 60.0° |
| H57 | C42 | C43 | H58 | 90.0° | 60.0° |
| H57 | C42 | C43 | H59 | 90.0° | 180.0° |
| C44 | C43 | H58 | H59 | 90.0° | 120.0° |
| C43 | C44 | O17 | O18 | 90.0° | 179.9° |
| C43 | C44 | O18 | H60 | 90.0° | 180.0° |
| H58 | C43 | C44 | O17 | 90.0° | 120.0° |
| H58 | C43 | C44 | O18 | 90.0° | 60.1° |
| H59 | C43 | C44 | O17 | 90.0° | 120.0° |
| H59 | C43 | C44 | O18 | 90.0° | 60.0° |
| O17 | C44 | O18 | H60 | 90.0° | 0.1° |
| C45 | N8 | H61 | C41 | 90.0° | 179.9° |
| N8 | C45 | C46 | C47 | 90.0° | 119.9° |
| N8 | C45 | C46 | H62 | 90.0° | 120.1° |
| N8 | C45 | C47 | H62 | 90.0° | 120.0° |
| N8 | C45 | C46 | O19 | 90.0° | 0.1° |
| N8 | C45 | C47 | C48 | 90.0° | 65.0° |
| N8 | C45 | C47 | H63 | 90.0° | 175.0° |
| N8 | C45 | C47 | H64 | 90.0° | 54.9° |
| N8 | C45 | C46 | N9 | 90.0° | 180.0° |
| H61 | N8 | C45 | C46 | 90.0° | 24.9° |
| H61 | N8 | C45 | C47 | 90.0° | 95.1° |
| H61 | N8 | C45 | H62 | 90.0° | 145.0° |
| C46 | C45 | C47 | H62 | 90.0° | 120.0° |
| C45 | C46 | O19 | N9 | 90.0° | 179.9° |
| C46 | C45 | C47 | C48 | 90.0° | 175.0° |
| C46 | C45 | C47 | H63 | 90.0° | 55.0° |
| C46 | C45 | C47 | H64 | 90.0° | 65.0° |
| C45 | C46 | N9 | C54 | 90.0° | 175.0° |
| C45 | C46 | N9 | H70 | 90.0° | 5.1° |
| C46 | C45 | N8 | C41 | 90.0° | 155.0° |
| C47 | C45 | C46 | O19 | 90.0° | 120.0° |
| C45 | C47 | C48 | H63 | 90.0° | 120.0° |
| C45 | C47 | C48 | H64 | 90.0° | 120.0° |
| C45 | C47 | H63 | H64 | 90.0° | 120.0° |
| C45 | C47 | C48 | C49 | 90.0° | 89.9° |
| C45 | C47 | C48 | C50 | 90.0° | 90.2° |
| C47 | C45 | N8 | C41 | 90.0° | 85.1° |
| C47 | C45 | C46 | N9 | 90.0° | 60.0° |
| H62 | C45 | C46 | O19 | 90.0° | 120.0° |
| H62 | C45 | C47 | C48 | 90.0° | 55.0° |
| H62 | C45 | C47 | H63 | 90.0° | 65.0° |
| H62 | C45 | C47 | H64 | 90.0° | 174.9° |
| H62 | C45 | N8 | C41 | 90.0° | 34.9° |
| H62 | C45 | C46 | N9 | 90.0° | 59.9° |
| O19 | C46 | N9 | C54 | 90.0° | 5.0° |
| O19 | C46 | N9 | H70 | 90.0° | 175.0° |
| C48 | C47 | H63 | H64 | 90.0° | 120.0° |
| C47 | C48 | C49 | C50 | 90.0° | 179.9° |
| C47 | C48 | C49 | C51 | 90.0° | 180.0° |
| C47 | C48 | C49 | H65 | 90.0° | 0.1° |
| C47 | C48 | C50 | C52 | 90.0° | 180.0° |
| C47 | C48 | C50 | H66 | 90.0° | 0.1° |
| H63 | C47 | C48 | C49 | 90.0° | 30.1° |
| H63 | C47 | C48 | C50 | 90.0° | 149.8° |
| H64 | C47 | C48 | C49 | 90.0° | 150.1° |
| H64 | C47 | C48 | C50 | 90.0° | 29.8° |
| C48 | C49 | C51 | H65 | 90.0° | 179.9° |
| C49 | C48 | C50 | C52 | 90.0° | 0.1° |
| C49 | C48 | C50 | H66 | 90.0° | 179.8° |
| C48 | C49 | C51 | C53 | 90.0° | 0.1° |
| C48 | C49 | C51 | H67 | 90.0° | 180.0° |
| C50 | C48 | C49 | C51 | 90.0° | 0.1° |
| C50 | C48 | C49 | H65 | 90.0° | 179.8° |
| C48 | C50 | C52 | H66 | 90.0° | 179.9° |
| C48 | C50 | C52 | C53 | 90.0° | 0.1° |
| C48 | C50 | C52 | H68 | 90.0° | 179.9° |
| C49 | C51 | C53 | H67 | 90.0° | 179.9° |
| C49 | C51 | C53 | C52 | 90.0° | 0.4° |
| C49 | C51 | C53 | O20 | 90.0° | 179.9° |
| H65 | C49 | C51 | C53 | 90.0° | 180.0° |
| H65 | C49 | C51 | H67 | 90.0° | 0.1° |
| C50 | C52 | C53 | C51 | 90.0° | 0.4° |
| C50 | C52 | C53 | H68 | 90.0° | 180.0° |
| C50 | C52 | C53 | O20 | 90.0° | 179.9° |
| H66 | C50 | C52 | C53 | 90.0° | 180.0° |
| H66 | C50 | C52 | H68 | 90.0° | 0.0° |
| C51 | C53 | C52 | O20 | 90.0° | 179.7° |
| C51 | C53 | C52 | H68 | 90.0° | 179.7° |
| C51 | C53 | O20 | H69 | 90.0° | 90.0° |
| H67 | C51 | C53 | C52 | 90.0° | 179.8° |
| H67 | C51 | C53 | O20 | 90.0° | 0.1° |
| C52 | C53 | O20 | H69 | 90.0° | 89.7° |
| H68 | C52 | C53 | O20 | 90.0° | 0.0° |
| C54 | N9 | H70 | C46 | 90.0° | 180.0° |
| N9 | C54 | C55 | C56 | 90.0° | 120.0° |
| N9 | C54 | C55 | H71 | 90.0° | 120.0° |
| N9 | C54 | C56 | H71 | 90.0° | 120.0° |
| N9 | C54 | C55 | O21 | 90.0° | 20.4° |
| N9 | C54 | C56 | C57 | 90.0° | 174.9° |
| N9 | C54 | C56 | H72 | 90.0° | 65.1° |
| N9 | C54 | C56 | H73 | 90.0° | 54.9° |
| N9 | C54 | C55 | N10 | 90.0° | 159.6° |
| H70 | N9 | C54 | C55 | 90.0° | 21.8° |
| H70 | N9 | C54 | C56 | 90.0° | 98.2° |
| H70 | N9 | C54 | H71 | 90.0° | 141.8° |
| C55 | C54 | C56 | H71 | 90.0° | 120.0° |
| C54 | C55 | O21 | N10 | 90.0° | 180.0° |
| C55 | C54 | C56 | C57 | 90.0° | 65.1° |
| C55 | C54 | C56 | H72 | 90.0° | 54.9° |
| C55 | C54 | C56 | H73 | 90.0° | 174.9° |
| C54 | C55 | N10 | C60 | 90.0° | 175.5° |
| C54 | C55 | N10 | H81 | 90.0° | 4.5° |
| C55 | C54 | N9 | C46 | 90.0° | 158.2° |
| C56 | C54 | C55 | O21 | 90.0° | 99.6° |
| C54 | C56 | C57 | H72 | 90.0° | 120.0° |
| C54 | C56 | C57 | H73 | 90.0° | 120.0° |
| C54 | C56 | H72 | H73 | 90.0° | 120.0° |
| C54 | C56 | C57 | C58 | 90.0° | 174.5° |
| C54 | C56 | C57 | C59 | 90.0° | 65.5° |
| C54 | C56 | C57 | H74 | 90.0° | 54.5° |
| C56 | C54 | N9 | C46 | 90.0° | 81.9° |
| C56 | C54 | C55 | N10 | 90.0° | 80.5° |
| H71 | C54 | C55 | O21 | 90.0° | 140.5° |
| H71 | C54 | C56 | C57 | 90.0° | 54.9° |
| H71 | C54 | C56 | H72 | 90.0° | 174.9° |
| H71 | C54 | C56 | H73 | 90.0° | 65.2° |
| H71 | C54 | N9 | C46 | 90.0° | 38.1° |
| H71 | C54 | C55 | N10 | 90.0° | 39.5° |
| O21 | C55 | N10 | C60 | 90.0° | 4.5° |
| O21 | C55 | N10 | H81 | 90.0° | 175.5° |
| C57 | C56 | H72 | H73 | 90.0° | 120.1° |
| C56 | C57 | C58 | C59 | 90.0° | 120.0° |
| C56 | C57 | C58 | H74 | 90.0° | 120.0° |
| C56 | C57 | C59 | H74 | 90.0° | 120.0° |
| C56 | C57 | C58 | H75 | 90.0° | 60.0° |
| C56 | C57 | C58 | H76 | 90.0° | 180.0° |
| C56 | C57 | C58 | H77 | 90.0° | 60.0° |
| C56 | C57 | C59 | H78 | 90.0° | 174.6° |
| C56 | C57 | C59 | H79 | 90.0° | 54.7° |
| C56 | C57 | C59 | H80 | 90.0° | 65.4° |
| H72 | C56 | C57 | C58 | 90.0° | 54.5° |
| H72 | C56 | C57 | C59 | 90.0° | 174.5° |
| H72 | C56 | C57 | H74 | 90.0° | 65.5° |
| H73 | C56 | C57 | C58 | 90.0° | 65.5° |
| H73 | C56 | C57 | C59 | 90.0° | 54.5° |
| H73 | C56 | C57 | H74 | 90.0° | 174.4° |
| C58 | C57 | C59 | H74 | 90.0° | 120.0° |
| C57 | C58 | H75 | H76 | 90.0° | 120.0° |
| C57 | C58 | H75 | H77 | 90.0° | 120.0° |
| C57 | C58 | H76 | H77 | 90.0° | 120.0° |
| C58 | C57 | C59 | H78 | 90.0° | 54.6° |
| C58 | C57 | C59 | H79 | 90.0° | 65.3° |
| C58 | C57 | C59 | H80 | 90.0° | 174.6° |
| C59 | C57 | C58 | H75 | 90.0° | 60.0° |
| C59 | C57 | C58 | H76 | 90.0° | 60.0° |
| C59 | C57 | C58 | H77 | 90.0° | 180.0° |
| C57 | C59 | H78 | H79 | 90.0° | 120.0° |
| C57 | C59 | H78 | H80 | 90.0° | 120.0° |
| C57 | C59 | H79 | H80 | 90.0° | 120.0° |
| H74 | C57 | C58 | H75 | 90.0° | 180.0° |
| H74 | C57 | C58 | H76 | 90.0° | 60.0° |
| H74 | C57 | C58 | H77 | 90.0° | 60.1° |
| H74 | C57 | C59 | H78 | 90.0° | 65.4° |
| H74 | C57 | C59 | H79 | 90.0° | 174.7° |
| H74 | C57 | C59 | H80 | 90.0° | 54.6° |
| H75 | C58 | H76 | H77 | 90.0° | 120.0° |
| H78 | C59 | H79 | H80 | 90.0° | 120.0° |
| C60 | N10 | H81 | C55 | 90.0° | 180.0° |
| N10 | C60 | C61 | C62 | 90.0° | 119.9° |
| N10 | C60 | C61 | H82 | 90.0° | 120.1° |
| N10 | C60 | C62 | H82 | 90.0° | 120.0° |
| N10 | C60 | C61 | O22 | 90.0° | 0.1° |
| N10 | C60 | C61 | O24 | 90.0° | 180.0° |
| N10 | C60 | C62 | C63 | 90.0° | 65.0° |
| N10 | C60 | C62 | H83 | 90.0° | 175.0° |
| N10 | C60 | C62 | H84 | 90.0° | 55.0° |
| H81 | N10 | C60 | C61 | 90.0° | 94.9° |
| H81 | N10 | C60 | C62 | 90.0° | 25.0° |
| H81 | N10 | C60 | H82 | 90.0° | 145.0° |
| C61 | C60 | C62 | H82 | 90.0° | 120.0° |
| C60 | C61 | O22 | O24 | 90.0° | 180.0° |
| C61 | C60 | C62 | C63 | 90.0° | 175.0° |
| C61 | C60 | C62 | H83 | 90.0° | 55.0° |
| C61 | C60 | C62 | H84 | 90.0° | 65.0° |
| C60 | C61 | O24 | H89 | 90.0° | 179.9° |
| C61 | C60 | N10 | C55 | 90.0° | 85.0° |
| C62 | C60 | C61 | O22 | 90.0° | 120.0° |
| C62 | C60 | C61 | O24 | 90.0° | 60.0° |
| C60 | C62 | C63 | H83 | 90.0° | 120.0° |
| C60 | C62 | C63 | H84 | 90.0° | 120.0° |
| C60 | C62 | H83 | H84 | 90.0° | 120.0° |
| C60 | C62 | C63 | C64 | 90.0° | 180.0° |
| C60 | C62 | C63 | H85 | 90.0° | 60.0° |
| C60 | C62 | C63 | H86 | 90.0° | 60.1° |
| C62 | C60 | N10 | C55 | 90.0° | 155.0° |
| H82 | C60 | C61 | O22 | 90.0° | 120.0° |
| H82 | C60 | C61 | O24 | 90.0° | 60.0° |
| H82 | C60 | C62 | C63 | 90.0° | 55.0° |
| H82 | C60 | C62 | H83 | 90.0° | 65.0° |
| H82 | C60 | C62 | H84 | 90.0° | 175.0° |
| H82 | C60 | N10 | C55 | 90.0° | 35.0° |
| O22 | C61 | O24 | H89 | 90.0° | 0.0° |
| C63 | C62 | H83 | H84 | 90.0° | 119.9° |
| C62 | C63 | C64 | H85 | 90.0° | 120.1° |
| C62 | C63 | C64 | H86 | 90.0° | 120.0° |
| C62 | C63 | H85 | H86 | 90.0° | 120.0° |
| C62 | C63 | C64 | O23 | 90.0° | 0.1° |
| C62 | C63 | C64 | N11 | 90.0° | 180.0° |
| H83 | C62 | C63 | C64 | 90.0° | 59.9° |
| H83 | C62 | C63 | H85 | 90.0° | 180.0° |
| H83 | C62 | C63 | H86 | 90.0° | 60.0° |
| H84 | C62 | C63 | C64 | 90.0° | 60.0° |
| H84 | C62 | C63 | H85 | 90.0° | 60.0° |
| H84 | C62 | C63 | H86 | 90.0° | 179.9° |
| C64 | C63 | H85 | H86 | 90.0° | 119.9° |
| C63 | C64 | O23 | N11 | 90.0° | 179.9° |
| C63 | C64 | N11 | H87 | 90.0° | 0.1° |
| C63 | C64 | N11 | H88 | 90.0° | 180.0° |
| H85 | C63 | C64 | O23 | 90.0° | 120.0° |
| H85 | C63 | C64 | N11 | 90.0° | 59.9° |
| H86 | C63 | C64 | O23 | 90.0° | 120.0° |
| H86 | C63 | C64 | N11 | 90.0° | 60.1° |
| O23 | C64 | N11 | H87 | 90.0° | 180.0° |
| O23 | C64 | N11 | H88 | 90.0° | 0.0° |
| C64 | N11 | H87 | H88 | 90.0° | 180.0° |
