PRD_002489
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.22Å | 1.19Å | |
| C1 | C2 | sing | 1.47Å | 1.53Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | N1 | sing | 1.39Å | 1.45Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| N2 | C8 | sing | 1.47Å | 1.45Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.55Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | O2 | doub | 1.21Å | 1.18Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| N3 | C14 | sing | 1.47Å | 1.33Å | |
| N3 | C18 | sing | 1.47Å | 1.62Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | C16 | sing | 1.54Å | 1.60Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | O3 | doub | 1.21Å | 1.19Å | |
| C16 | C17 | sing | 1.55Å | 1.56Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.55Å | 1.38Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| N4 | C19 | sing | 1.47Å | 1.45Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.51Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | O4 | doub | 1.21Å | 1.18Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| N5 | C22 | sing | 1.47Å | 1.46Å | |
| N5 | H30 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.54Å | |
| C22 | C24 | sing | 1.53Å | 1.52Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | O5 | doub | 1.21Å | 1.18Å | |
| C24 | O6 | sing | 1.43Å | 1.40Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| O6 | H33 | sing | 0.97Å | 0.95Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| N6 | C26 | sing | 1.47Å | 1.45Å | |
| N6 | H37 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.54Å | |
| C26 | C28 | sing | 1.53Å | 1.51Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | O7 | doub | 1.21Å | 1.19Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| N7 | C29 | sing | 1.47Å | 1.46Å | |
| N7 | H42 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.51Å | 1.54Å | |
| C29 | C31 | sing | 1.53Å | 1.52Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | O8 | doub | 1.21Å | 1.19Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C31 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | O9 | doub | 1.21Å | 1.19Å | |
| C32 | C33 | sing | 1.51Å | 1.52Å | |
| C33 | H47 | sing | 1.09Å | 1.10Å | |
| C33 | H48 | sing | 1.09Å | 1.10Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| N8 | C34 | sing | 1.46Å | 1.46Å | |
| N8 | H50 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.51Å | 1.54Å | |
| C34 | C36 | sing | 1.53Å | 1.52Å | |
| C34 | H51 | sing | 1.09Å | 1.10Å | |
| C35 | O10 | doub | 1.21Å | 1.19Å | |
| C36 | H52 | sing | 1.09Å | 1.10Å | |
| C36 | H53 | sing | 1.09Å | 1.10Å | |
| C36 | H54 | sing | 1.09Å | 1.10Å | |
| N10 | C37 | sing | 1.35Å | 1.46Å | |
| C37 | O11 | doub | 1.21Å | 1.18Å | |
| C37 | C38 | sing | 1.51Å | 1.54Å | |
| N9 | C38 | sing | 1.47Å | 1.45Å | |
| N9 | H55 | sing | 0.97Å | 1.00Å | |
| N10 | H56 | sing | 0.97Å | 1.00Å | |
| N10 | H57 | sing | 0.97Å | 1.00Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C38 | H58 | sing | 1.09Å | 1.10Å | |
| C39 | C41 | sing | 1.53Å | 1.53Å | |
| C39 | H59 | sing | 1.09Å | 1.10Å | |
| C39 | H60 | sing | 1.09Å | 1.10Å | |
| C41 | C40 | sing | 1.51Å | 1.55Å | |
| O12 | C40 | doub | 1.21Å | 1.18Å | |
| C41 | H61 | sing | 1.09Å | 1.10Å | |
| C41 | H62 | sing | 1.09Å | 1.10Å | |
| N11 | C42 | sing | 1.47Å | 1.47Å | |
| N11 | H63 | sing | 0.97Å | 1.00Å | |
| C42 | C43 | sing | 1.51Å | 1.56Å | |
| C42 | C44 | sing | 1.53Å | 1.54Å | |
| C42 | H64 | sing | 1.09Å | 1.10Å | |
| C43 | O13 | doub | 1.21Å | 1.18Å | |
| C44 | C45 | sing | 1.53Å | 1.54Å | |
| C44 | H65 | sing | 1.09Å | 1.10Å | |
| C44 | H66 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.53Å | 1.56Å | |
| C45 | H67 | sing | 1.09Å | 1.10Å | |
| C45 | H68 | sing | 1.09Å | 1.10Å | |
| C46 | C47 | sing | 1.53Å | 1.55Å | |
| C46 | H69 | sing | 1.09Å | 1.10Å | |
| C46 | H70 | sing | 1.09Å | 1.10Å | |
| C47 | N12 | sing | 1.47Å | 1.47Å | |
| C47 | H71 | sing | 1.09Å | 1.10Å | |
| C47 | H72 | sing | 1.09Å | 1.10Å | |
| N12 | H73 | sing | 1.01Å | 1.00Å | |
| N12 | H74 | sing | 1.01Å | 1.00Å | |
| N13 | C48 | sing | 1.47Å | 1.47Å | |
| N13 | H75 | sing | 0.97Å | 1.00Å | |
| C48 | C49 | sing | 1.53Å | 1.51Å | |
| C48 | C50 | sing | 1.51Å | 1.54Å | |
| C48 | H76 | sing | 1.09Å | 1.10Å | |
| C49 | H77 | sing | 1.09Å | 1.10Å | |
| C49 | H78 | sing | 1.09Å | 1.10Å | |
| C49 | H79 | sing | 1.09Å | 1.10Å | |
| C50 | O14 | doub | 1.21Å | 1.19Å | |
| N14 | C51 | sing | 1.46Å | 1.48Å | |
| N14 | H80 | sing | 0.97Å | 1.00Å | |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| C51 | C53 | sing | 1.51Å | 1.53Å | |
| C51 | H81 | sing | 1.09Å | 1.10Å | |
| C52 | H82 | sing | 1.09Å | 1.10Å | |
| C52 | H83 | sing | 1.09Å | 1.10Å | |
| C52 | H84 | sing | 1.09Å | 1.10Å | |
| C53 | O15 | doub | 1.21Å | 1.26Å | |
| C53 | O16 | sing | 1.34Å | 1.26Å | |
| O16 | H85 | sing | 0.97Å | 0.95Å | |
| C1 | N2 | sing | 1.35Å | 1.47Å | |
| C9 | N3 | sing | 1.35Å | 1.46Å | |
| C15 | N4 | sing | 1.35Å | 1.47Å | |
| C20 | N5 | sing | 1.35Å | 1.46Å | |
| C23 | N6 | sing | 1.35Å | 1.47Å | |
| C27 | N7 | sing | 1.35Å | 1.47Å | |
| C32 | N8 | sing | 1.35Å | 1.46Å | |
| C35 | N9 | sing | 1.35Å | 1.47Å | |
| C40 | N11 | sing | 1.35Å | 1.47Å | |
| C43 | N13 | sing | 1.35Å | 1.49Å | |
| C50 | N14 | sing | 1.35Å | 1.49Å | |
| C30 | N12 | sing | 1.40Å | 1.47Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 118.3° | 120.0° |
| O1 | C1 | N2 | 119.8° | 120.0° |
| C1 | C2 | C3 | 120.4° | 120.2° |
| C1 | C2 | C7 | 119.3° | 120.2° |
| C2 | C1 | N2 | 121.9° | 120.0° |
| C3 | C2 | C7 | 120.3° | 119.6° |
| C2 | C3 | C4 | 119.9° | 119.6° |
| C2 | C3 | N1 | 120.5° | 120.2° |
| C2 | C7 | C6 | 119.8° | 119.9° |
| C2 | C7 | H6 | 120.1° | 120.0° |
| C4 | C3 | N1 | 119.6° | 120.2° |
| C3 | C4 | C5 | 119.9° | 120.1° |
| C3 | C4 | H1 | 120.1° | 119.9° |
| C3 | N1 | H2 | 109.5° | 120.0° |
| C3 | N1 | H3 | 109.5° | 120.0° |
| C5 | C4 | H1 | 120.0° | 120.0° |
| C4 | C5 | C6 | 120.1° | 120.4° |
| C4 | C5 | H4 | 120.0° | 119.8° |
| H2 | N1 | H3 | 109.5° | 120.0° |
| C6 | C5 | H4 | 119.9° | 119.8° |
| C5 | C6 | C7 | 120.0° | 120.4° |
| C5 | C6 | H5 | 120.0° | 119.8° |
| C7 | C6 | H5 | 120.0° | 119.9° |
| C6 | C7 | H6 | 120.1° | 120.1° |
| C8 | N2 | H7 | 121.1° | 120.0° |
| N2 | C8 | C9 | 104.0° | 109.4° |
| N2 | C8 | C10 | 113.1° | 109.5° |
| N2 | C8 | H8 | 109.9° | 109.5° |
| C8 | N2 | C1 | 117.8° | 120.0° |
| H7 | N2 | C1 | 121.1° | 120.0° |
| C9 | C8 | C10 | 112.1° | 109.5° |
| C9 | C8 | H8 | 108.6° | 109.5° |
| C8 | C9 | O2 | 119.9° | 120.0° |
| C8 | C9 | N3 | 120.2° | 120.0° |
| C10 | C8 | H8 | 108.9° | 109.5° |
| C8 | C10 | C11 | 112.0° | 109.5° |
| C8 | C10 | H9 | 108.8° | 109.5° |
| C8 | C10 | H10 | 108.8° | 109.5° |
| O2 | C9 | N3 | 119.9° | 120.0° |
| C11 | C10 | H9 | 108.9° | 109.5° |
| C11 | C10 | H10 | 108.8° | 109.4° |
| C10 | C11 | C12 | 113.1° | 109.5° |
| C10 | C11 | C13 | 112.2° | 109.5° |
| C10 | C11 | H11 | 106.5° | 109.4° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| C12 | C11 | C13 | 111.5° | 109.5° |
| C12 | C11 | H11 | 106.5° | 109.5° |
| C11 | C12 | H12 | 109.5° | 109.5° |
| C11 | C12 | H13 | 109.5° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C13 | C11 | H11 | 106.7° | 109.5° |
| C11 | C13 | H15 | 109.5° | 109.5° |
| C11 | C13 | H16 | 109.4° | 109.5° |
| C11 | C13 | H17 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H12 | C12 | H14 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.4° | 109.4° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H15 | C13 | H17 | 109.5° | 109.4° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| C14 | N3 | C18 | 109.5° | 108.7° |
| N3 | C14 | C15 | 113.4° | 109.9° |
| N3 | C14 | C16 | 106.0° | 107.3° |
| N3 | C14 | H18 | 111.6° | 109.9° |
| C14 | N3 | C9 | 125.6° | 125.6° |
| N3 | C18 | C17 | 105.8° | 104.8° |
| N3 | C18 | H23 | 110.4° | 110.4° |
| N3 | C18 | H24 | 110.4° | 110.3° |
| C18 | N3 | C9 | 124.9° | 125.7° |
| C15 | C14 | C16 | 109.2° | 109.9° |
| C15 | C14 | H18 | 108.6° | 109.9° |
| C14 | C15 | O3 | 119.6° | 120.0° |
| C14 | C15 | N4 | 118.6° | 120.0° |
| C16 | C14 | H18 | 107.8° | 110.0° |
| C14 | C16 | C17 | 104.0° | 103.0° |
| C14 | C16 | H19 | 110.8° | 110.7° |
| C14 | C16 | H20 | 110.8° | 110.7° |
| O3 | C15 | N4 | 121.8° | 120.0° |
| C17 | C16 | H19 | 110.8° | 110.7° |
| C17 | C16 | H20 | 110.8° | 110.7° |
| C16 | C17 | C18 | 103.7° | 101.5° |
| C16 | C17 | H21 | 110.9° | 111.0° |
| C16 | C17 | H22 | 110.9° | 111.0° |
| H19 | C16 | H20 | 109.4° | 110.8° |
| C18 | C17 | H21 | 110.9° | 111.2° |
| C18 | C17 | H22 | 110.9° | 110.9° |
| C17 | C18 | H23 | 110.4° | 110.5° |
| C17 | C18 | H24 | 110.4° | 110.3° |
| H21 | C17 | H22 | 109.5° | 110.9° |
| H23 | C18 | H24 | 109.5° | 110.4° |
| C19 | N4 | H25 | 119.6° | 120.0° |
| N4 | C19 | C20 | 100.7° | 109.4° |
| N4 | C19 | C21 | 109.8° | 109.5° |
| N4 | C19 | H26 | 113.1° | 109.5° |
| C19 | N4 | C15 | 120.8° | 120.0° |
| H25 | N4 | C15 | 119.6° | 120.0° |
| C20 | C19 | C21 | 108.6° | 109.5° |
| C20 | C19 | H26 | 111.9° | 109.5° |
| C19 | C20 | O4 | 118.7° | 120.0° |
| C19 | C20 | N5 | 122.4° | 120.0° |
| C21 | C19 | H26 | 112.1° | 109.5° |
| C19 | C21 | H27 | 109.5° | 109.5° |
| C19 | C21 | H28 | 109.4° | 109.5° |
| C19 | C21 | H29 | 109.5° | 109.4° |
| O4 | C20 | N5 | 118.8° | 120.0° |
| H27 | C21 | H28 | 109.4° | 109.5° |
| H27 | C21 | H29 | 109.5° | 109.5° |
| H28 | C21 | H29 | 109.5° | 109.5° |
| C22 | N5 | H30 | 123.2° | 120.0° |
| N5 | C22 | C23 | 111.0° | 109.5° |
| N5 | C22 | C24 | 107.2° | 109.4° |
| N5 | C22 | H31 | 107.9° | 109.5° |
| C22 | N5 | C20 | 113.6° | 120.0° |
| H30 | N5 | C20 | 123.1° | 120.0° |
| C23 | C22 | C24 | 116.3° | 109.5° |
| C23 | C22 | H31 | 106.9° | 109.4° |
| C22 | C23 | O5 | 123.5° | 120.0° |
| C22 | C23 | N6 | 117.3° | 120.0° |
| C24 | C22 | H31 | 107.2° | 109.5° |
| C22 | C24 | O6 | 107.9° | 109.5° |
| C22 | C24 | C25 | 108.5° | 109.5° |
| C22 | C24 | H32 | 110.6° | 109.4° |
| O5 | C23 | N6 | 119.2° | 120.0° |
| O6 | C24 | C25 | 106.8° | 109.5° |
| O6 | C24 | H32 | 112.4° | 109.5° |
| C24 | O6 | H33 | 109.5° | 114.0° |
| C25 | C24 | H32 | 110.4° | 109.5° |
| C24 | C25 | H34 | 109.5° | 109.5° |
| C24 | C25 | H35 | 109.5° | 109.5° |
| C24 | C25 | H36 | 109.5° | 109.5° |
| H34 | C25 | H35 | 109.5° | 109.5° |
| H34 | C25 | H36 | 109.4° | 109.4° |
| H35 | C25 | H36 | 109.5° | 109.4° |
| C26 | N6 | H37 | 119.5° | 120.0° |
| N6 | C26 | C27 | 107.5° | 109.4° |
| N6 | C26 | C28 | 108.0° | 109.4° |
| N6 | C26 | H38 | 111.1° | 109.5° |
| C26 | N6 | C23 | 121.1° | 120.0° |
| H37 | N6 | C23 | 119.5° | 120.0° |
| C27 | C26 | C28 | 110.1° | 109.5° |
| C27 | C26 | H38 | 109.9° | 109.5° |
| C26 | C27 | O7 | 119.6° | 120.0° |
| C26 | C27 | N7 | 120.6° | 119.9° |
| C28 | C26 | H38 | 110.3° | 109.5° |
| C26 | C28 | H39 | 109.5° | 109.5° |
| C26 | C28 | H40 | 109.5° | 109.4° |
| C26 | C28 | H41 | 109.5° | 109.5° |
| O7 | C27 | N7 | 119.8° | 120.0° |
| H39 | C28 | H40 | 109.5° | 109.5° |
| H39 | C28 | H41 | 109.5° | 109.5° |
| H40 | C28 | H41 | 109.4° | 109.4° |
| C29 | N7 | H42 | 120.5° | 120.0° |
| N7 | C29 | C30 | 110.8° | 109.4° |
| N7 | C29 | C31 | 110.0° | 109.5° |
| N7 | C29 | H43 | 109.6° | 109.5° |
| C29 | N7 | C27 | 119.1° | 119.9° |
| H42 | N7 | C27 | 120.4° | 120.0° |
| C30 | C29 | C31 | 109.1° | 109.5° |
| C30 | C29 | H43 | 108.5° | 109.5° |
| C29 | C30 | O8 | 120.9° | 120.0° |
| C29 | C30 | N12 | 118.2° | 120.0° |
| C31 | C29 | H43 | 108.8° | 109.4° |
| C29 | C31 | H44 | 109.5° | 109.5° |
| C29 | C31 | H45 | 109.5° | 109.4° |
| C29 | C31 | H46 | 109.5° | 109.4° |
| O8 | C30 | N12 | 120.9° | 120.0° |
| H44 | C31 | H45 | 109.5° | 109.5° |
| H44 | C31 | H46 | 109.5° | 109.5° |
| H45 | C31 | H46 | 109.5° | 109.5° |
| O9 | C32 | C33 | 118.6° | 120.0° |
| O9 | C32 | N8 | 120.7° | 120.0° |
| C32 | C33 | H47 | 109.5° | 109.4° |
| C32 | C33 | H48 | 109.4° | 109.5° |
| C32 | C33 | H49 | 109.4° | 109.5° |
| C33 | C32 | N8 | 120.7° | 120.0° |
| H47 | C33 | H48 | 109.5° | 109.5° |
| H47 | C33 | H49 | 109.5° | 109.5° |
| H48 | C33 | H49 | 109.5° | 109.5° |
| C34 | N8 | H50 | 120.0° | 120.1° |
| N8 | C34 | C35 | 116.3° | 109.5° |
| N8 | C34 | C36 | 108.6° | 109.5° |
| N8 | C34 | H51 | 108.8° | 109.5° |
| C34 | N8 | C32 | 120.0° | 120.0° |
| H50 | N8 | C32 | 120.0° | 120.0° |
| C35 | C34 | C36 | 107.2° | 109.5° |
| C35 | C34 | H51 | 107.7° | 109.5° |
| C34 | C35 | O10 | 122.5° | 120.0° |
| C34 | C35 | N9 | 116.5° | 120.0° |
| C36 | C34 | H51 | 107.9° | 109.4° |
| C34 | C36 | H52 | 109.5° | 109.4° |
| C34 | C36 | H53 | 109.5° | 109.5° |
| C34 | C36 | H54 | 109.5° | 109.5° |
| O10 | C35 | N9 | 121.0° | 120.0° |
| H52 | C36 | H53 | 109.5° | 109.4° |
| H52 | C36 | H54 | 109.5° | 109.5° |
| H53 | C36 | H54 | 109.5° | 109.5° |
| N10 | C37 | O11 | 118.9° | 120.0° |
| N10 | C37 | C38 | 120.5° | 120.0° |
| C37 | N10 | H56 | 120.0° | 120.0° |
| C37 | N10 | H57 | 120.0° | 120.0° |
| O11 | C37 | C38 | 120.6° | 120.0° |
| C37 | C38 | N9 | 110.2° | 109.5° |
| C37 | C38 | C39 | 109.9° | 109.5° |
| C37 | C38 | H58 | 110.0° | 109.5° |
| C38 | N9 | H55 | 117.9° | 120.0° |
| N9 | C38 | C39 | 105.5° | 109.4° |
| N9 | C38 | H58 | 111.2° | 109.5° |
| C38 | N9 | C35 | 124.2° | 120.0° |
| H55 | N9 | C35 | 117.9° | 120.0° |
| H56 | N10 | H57 | 120.0° | 120.0° |
| C39 | C38 | H58 | 110.0° | 109.5° |
| C38 | C39 | C41 | 115.1° | 109.5° |
| C38 | C39 | H59 | 108.0° | 109.5° |
| C38 | C39 | H60 | 108.0° | 109.5° |
| C41 | C39 | H59 | 108.0° | 109.4° |
| C41 | C39 | H60 | 108.0° | 109.5° |
| C39 | C41 | C40 | 109.0° | 109.5° |
| C39 | C41 | H61 | 109.6° | 109.5° |
| C39 | C41 | H62 | 109.6° | 109.5° |
| H59 | C39 | H60 | 109.5° | 109.5° |
| C41 | C40 | O12 | 120.4° | 120.0° |
| C40 | C41 | H61 | 109.6° | 109.5° |
| C40 | C41 | H62 | 109.6° | 109.5° |
| C41 | C40 | N11 | 117.0° | 120.0° |
| O12 | C40 | N11 | 122.5° | 120.0° |
| H61 | C41 | H62 | 109.5° | 109.4° |
| C42 | N11 | H63 | 115.8° | 120.0° |
| N11 | C42 | C43 | 120.2° | 109.5° |
| N11 | C42 | C44 | 112.6° | 109.5° |
| N11 | C42 | H64 | 103.7° | 109.5° |
| C42 | N11 | C40 | 128.4° | 120.0° |
| H63 | N11 | C40 | 115.8° | 120.0° |
| C43 | C42 | C44 | 112.0° | 109.5° |
| C43 | C42 | H64 | 102.9° | 109.4° |
| C42 | C43 | O13 | 115.9° | 120.0° |
| C42 | C43 | N13 | 126.1° | 120.0° |
| C44 | C42 | H64 | 103.0° | 109.5° |
| C42 | C44 | C45 | 116.2° | 109.4° |
| C42 | C44 | H65 | 107.8° | 109.5° |
| C42 | C44 | H66 | 107.8° | 109.5° |
| O13 | C43 | N13 | 117.9° | 120.0° |
| C45 | C44 | H65 | 107.8° | 109.4° |
| C45 | C44 | H66 | 107.8° | 109.5° |
| C44 | C45 | C46 | 112.0° | 109.4° |
| C44 | C45 | H67 | 108.8° | 109.4° |
| C44 | C45 | H68 | 108.9° | 109.5° |
| H65 | C44 | H66 | 109.5° | 109.5° |
| C46 | C45 | H67 | 108.8° | 109.5° |
| C46 | C45 | H68 | 108.8° | 109.5° |
| C45 | C46 | C47 | 113.3° | 109.4° |
| C45 | C46 | H69 | 108.5° | 109.5° |
| C45 | C46 | H70 | 108.5° | 109.5° |
| H67 | C45 | H68 | 109.5° | 109.5° |
| C47 | C46 | H69 | 108.5° | 109.4° |
| C47 | C46 | H70 | 108.5° | 109.5° |
| C46 | C47 | N12 | 110.4° | 109.5° |
| C46 | C47 | H71 | 109.2° | 109.4° |
| C46 | C47 | H72 | 109.3° | 109.5° |
| H69 | C46 | H70 | 109.5° | 109.5° |
| N12 | C47 | H71 | 109.3° | 109.5° |
| N12 | C47 | H72 | 109.2° | 109.4° |
| C47 | N12 | H73 | 106.2° | 109.4° |
| C47 | N12 | H74 | 106.3° | 109.5° |
| C47 | N12 | C30 | 122.0° | 109.5° |
| H71 | C47 | H72 | 109.4° | 109.5° |
| H73 | N12 | H74 | 109.5° | 109.5° |
| H73 | N12 | C30 | 106.3° | 109.5° |
| H74 | N12 | C30 | 106.2° | 109.5° |
| C48 | N13 | H75 | 121.2° | 120.0° |
| N13 | C48 | C49 | 101.0° | 109.5° |
| N13 | C48 | C50 | 121.0° | 109.4° |
| N13 | C48 | H76 | 111.1° | 109.4° |
| C48 | N13 | C43 | 117.7° | 120.0° |
| H75 | N13 | C43 | 121.1° | 120.0° |
| C49 | C48 | C50 | 101.9° | 109.5° |
| C49 | C48 | H76 | 110.5° | 109.5° |
| C48 | C49 | H77 | 109.5° | 109.4° |
| C48 | C49 | H78 | 109.5° | 109.5° |
| C48 | C49 | H79 | 109.5° | 109.4° |
| C50 | C48 | H76 | 110.1° | 109.5° |
| C48 | C50 | O14 | 119.8° | 120.1° |
| C48 | C50 | N14 | 121.8° | 119.9° |
| H77 | C49 | H78 | 109.5° | 109.5° |
| H77 | C49 | H79 | 109.5° | 109.4° |
| H78 | C49 | H79 | 109.4° | 109.5° |
| O14 | C50 | N14 | 118.3° | 120.0° |
| C51 | N14 | H80 | 115.7° | 120.0° |
| N14 | C51 | C52 | 116.5° | 109.5° |
| N14 | C51 | C53 | 107.9° | 109.5° |
| N14 | C51 | H81 | 109.8° | 109.5° |
| C51 | N14 | C50 | 128.6° | 120.0° |
| H80 | N14 | C50 | 115.7° | 120.0° |
| C52 | C51 | C53 | 104.1° | 109.5° |
| C52 | C51 | H81 | 109.1° | 109.4° |
| C51 | C52 | H82 | 109.5° | 109.4° |
| C51 | C52 | H83 | 109.4° | 109.4° |
| C51 | C52 | H84 | 109.4° | 109.4° |
| C53 | C51 | H81 | 109.1° | 109.4° |
| C51 | C53 | O15 | 119.8° | 120.0° |
| C51 | C53 | O16 | 119.9° | 120.0° |
| H82 | C52 | H83 | 109.5° | 109.5° |
| H82 | C52 | H84 | 109.5° | 109.5° |
| H83 | C52 | H84 | 109.5° | 109.5° |
| O15 | C53 | O16 | 120.3° | 120.0° |
| C53 | O16 | H85 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N2 | 179.8° | 179.7° |
| O1 | C1 | C2 | C3 | 125.0° | 5.4° |
| O1 | C1 | C2 | C7 | 53.4° | 174.3° |
| O1 | C1 | N2 | C8 | 1.2° | 0.1° |
| O1 | C1 | N2 | H7 | 178.8° | 180.0° |
| C1 | C2 | C3 | C7 | 178.4° | 179.7° |
| C1 | C2 | C3 | C4 | 179.5° | 180.0° |
| C1 | C2 | C3 | N1 | 0.8° | 0.0° |
| C1 | C2 | C7 | C6 | 179.8° | 179.7° |
| C1 | C2 | C7 | H6 | 0.2° | 0.1° |
| C2 | C1 | N2 | C8 | 179.0° | 179.8° |
| C2 | C1 | N2 | H7 | 1.0° | 0.3° |
| C2 | C3 | C4 | N1 | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C2 | C3 | C4 | H1 | 179.7° | 180.0° |
| C2 | C3 | N1 | H2 | 180.0° | 8.6° |
| C2 | C3 | N1 | H3 | 60.0° | 171.4° |
| C3 | C2 | C7 | C6 | 1.4° | 0.6° |
| C3 | C2 | C7 | H6 | 178.6° | 179.8° |
| C3 | C2 | C1 | N2 | 55.2° | 174.9° |
| C7 | C2 | C3 | C4 | 1.1° | 0.3° |
| C7 | C2 | C3 | N1 | 179.2° | 179.7° |
| C2 | C7 | C6 | C5 | 0.9° | 0.6° |
| C2 | C7 | C6 | H6 | 180.0° | 179.6° |
| C2 | C7 | C6 | H5 | 179.1° | 179.7° |
| C7 | C2 | C1 | N2 | 126.4° | 5.4° |
| C3 | C4 | C5 | H1 | 180.0° | 180.0° |
| C4 | C3 | N1 | H2 | 0.4° | 171.4° |
| C4 | C3 | N1 | H3 | 120.4° | 8.6° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | H4 | 179.9° | 180.0° |
| N1 | C3 | C4 | C5 | 180.0° | 180.0° |
| N1 | C3 | C4 | H1 | 0.0° | 0.0° |
| C3 | N1 | H2 | H3 | 120.0° | 180.0° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.3° |
| C4 | C5 | C6 | H5 | 179.8° | 180.0° |
| H1 | C4 | C5 | C6 | 179.9° | 180.0° |
| H1 | C4 | C5 | H4 | 0.2° | 0.0° |
| C5 | C6 | C7 | H5 | 180.0° | 179.7° |
| C5 | C6 | C7 | H6 | 179.1° | 179.8° |
| H4 | C5 | C6 | C7 | 179.9° | 179.7° |
| H4 | C5 | C6 | H5 | 0.1° | 0.0° |
| H5 | C6 | C7 | H6 | 0.9° | 0.1° |
| C8 | N2 | H7 | C1 | 180.0° | 179.9° |
| N2 | C8 | C9 | C10 | 122.6° | 120.0° |
| N2 | C8 | C9 | H8 | 117.0° | 120.0° |
| N2 | C8 | C10 | H8 | 122.5° | 120.0° |
| N2 | C8 | C9 | O2 | 33.2° | 28.9° |
| N2 | C8 | C10 | C11 | 66.9° | 66.2° |
| N2 | C8 | C10 | H9 | 53.5° | 53.8° |
| N2 | C8 | C10 | H10 | 172.7° | 173.9° |
| N2 | C8 | C9 | N3 | 145.3° | 151.1° |
| H7 | N2 | C8 | C9 | 110.8° | 25.1° |
| H7 | N2 | C8 | C10 | 11.1° | 94.9° |
| H7 | N2 | C8 | H8 | 133.0° | 145.1° |
| C9 | C8 | C10 | H8 | 120.3° | 120.0° |
| C8 | C9 | O2 | N3 | 178.5° | 180.0° |
| C9 | C8 | C10 | C11 | 175.8° | 173.8° |
| C9 | C8 | C10 | H9 | 63.8° | 66.1° |
| C9 | C8 | C10 | H10 | 55.5° | 53.9° |
| C8 | C9 | N3 | C14 | 178.0° | 175.4° |
| C8 | C9 | N3 | C18 | 0.7° | 4.2° |
| C9 | C8 | N2 | C1 | 69.2° | 155.0° |
| C10 | C8 | C9 | O2 | 89.3° | 91.1° |
| C8 | C10 | C11 | H9 | 120.4° | 120.0° |
| C8 | C10 | C11 | H10 | 120.4° | 120.0° |
| C8 | C10 | H9 | H10 | 118.8° | 120.0° |
| C8 | C10 | C11 | C12 | 164.3° | 175.0° |
| C8 | C10 | C11 | C13 | 68.6° | 65.0° |
| C8 | C10 | C11 | H11 | 47.7° | 55.0° |
| C10 | C8 | N2 | C1 | 168.9° | 85.0° |
| C10 | C8 | C9 | N3 | 92.2° | 88.9° |
| H8 | C8 | C9 | O2 | 150.3° | 148.9° |
| H8 | C8 | C10 | C11 | 55.6° | 53.8° |
| H8 | C8 | C10 | H9 | 176.0° | 173.8° |
| H8 | C8 | C10 | H10 | 64.8° | 66.1° |
| H8 | C8 | N2 | C1 | 47.0° | 35.0° |
| H8 | C8 | C9 | N3 | 28.2° | 31.1° |
| O2 | C9 | N3 | C14 | 0.6° | 4.6° |
| O2 | C9 | N3 | C18 | 179.2° | 175.8° |
| C11 | C10 | H9 | H10 | 118.8° | 119.9° |
| C10 | C11 | C12 | C13 | 127.5° | 120.0° |
| C10 | C11 | C12 | H11 | 116.6° | 120.0° |
| C10 | C11 | C13 | H11 | 116.2° | 120.0° |
| C10 | C11 | C12 | H12 | 180.0° | 60.0° |
| C10 | C11 | C12 | H13 | 60.0° | 180.0° |
| C10 | C11 | C12 | H14 | 60.0° | 60.0° |
| C10 | C11 | C13 | H15 | 180.0° | 60.0° |
| C10 | C11 | C13 | H16 | 60.0° | 180.0° |
| C10 | C11 | C13 | H17 | 60.0° | 60.0° |
| H9 | C10 | C11 | C12 | 43.9° | 55.0° |
| H9 | C10 | C11 | C13 | 171.0° | 175.0° |
| H9 | C10 | C11 | H11 | 72.7° | 65.0° |
| H10 | C10 | C11 | C12 | 75.3° | 65.0° |
| H10 | C10 | C11 | C13 | 51.8° | 55.0° |
| H10 | C10 | C11 | H11 | 168.1° | 175.0° |
| C12 | C11 | C13 | H11 | 115.8° | 120.0° |
| C11 | C12 | H12 | H13 | 120.0° | 120.0° |
| C11 | C12 | H12 | H14 | 120.0° | 120.1° |
| C11 | C12 | H13 | H14 | 120.0° | 120.0° |
| C12 | C11 | C13 | H15 | 52.1° | 180.0° |
| C12 | C11 | C13 | H16 | 67.9° | 60.0° |
| C12 | C11 | C13 | H17 | 172.1° | 60.0° |
| C13 | C11 | C12 | H12 | 52.5° | 60.0° |
| C13 | C11 | C12 | H13 | 172.5° | 60.0° |
| C13 | C11 | C12 | H14 | 67.5° | 180.0° |
| C11 | C13 | H15 | H16 | 120.0° | 120.0° |
| C11 | C13 | H15 | H17 | 120.0° | 120.0° |
| C11 | C13 | H16 | H17 | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 63.4° | 180.0° |
| H11 | C11 | C12 | H13 | 56.6° | 60.0° |
| H11 | C11 | C12 | H14 | 176.6° | 60.0° |
| H11 | C11 | C13 | H15 | 63.8° | 60.0° |
| H11 | C11 | C13 | H16 | 176.2° | 60.0° |
| H11 | C11 | C13 | H17 | 56.2° | 180.0° |
| H12 | C12 | H13 | H14 | 120.0° | 120.0° |
| H15 | C13 | H16 | H17 | 120.0° | 120.0° |
| C14 | N3 | C18 | C9 | 178.9° | 179.7° |
| N3 | C14 | C15 | C16 | 118.0° | 117.8° |
| N3 | C14 | C15 | H18 | 124.7° | 121.0° |
| N3 | C14 | C16 | H18 | 119.7° | 119.5° |
| N3 | C14 | C15 | O3 | 34.0° | 0.0° |
| N3 | C14 | C16 | C17 | 17.2° | 22.2° |
| N3 | C14 | C16 | H19 | 136.4° | 140.6° |
| N3 | C14 | C16 | H20 | 101.9° | 96.2° |
| C14 | N3 | C18 | C17 | 22.8° | 24.5° |
| C14 | N3 | C18 | H23 | 96.6° | 94.5° |
| C14 | N3 | C18 | H24 | 142.2° | 143.2° |
| N3 | C14 | C15 | N4 | 146.0° | 180.0° |
| C18 | N3 | C14 | C15 | 121.5° | 120.7° |
| C18 | N3 | C14 | C16 | 1.7° | 1.3° |
| C18 | N3 | C14 | H18 | 115.5° | 118.2° |
| N3 | C18 | C17 | C16 | 32.2° | 37.3° |
| N3 | C18 | C17 | H23 | 119.4° | 118.9° |
| N3 | C18 | C17 | H24 | 119.4° | 118.7° |
| N3 | C18 | C17 | H21 | 86.9° | 80.8° |
| N3 | C18 | C17 | H22 | 151.2° | 155.3° |
| N3 | C18 | H23 | H24 | 121.7° | 122.3° |
| C15 | C14 | C16 | H18 | 117.8° | 121.1° |
| C14 | C15 | O3 | N4 | 180.0° | 180.0° |
| C15 | C14 | C16 | C17 | 105.3° | 97.2° |
| C15 | C14 | C16 | H19 | 13.8° | 21.2° |
| C15 | C14 | C16 | H20 | 135.6° | 144.4° |
| C14 | C15 | N4 | C19 | 178.5° | 180.0° |
| C14 | C15 | N4 | H25 | 1.5° | 0.1° |
| C15 | C14 | N3 | C9 | 59.6° | 59.6° |
| C16 | C14 | C15 | O3 | 84.0° | 117.8° |
| C14 | C16 | C17 | H19 | 119.1° | 118.4° |
| C14 | C16 | C17 | H20 | 119.1° | 118.4° |
| C14 | C16 | H19 | H20 | 122.5° | 123.2° |
| C14 | C16 | C17 | C18 | 31.4° | 35.6° |
| C14 | C16 | C17 | H21 | 87.6° | 82.6° |
| C14 | C16 | C17 | H22 | 150.5° | 153.6° |
| C16 | C14 | N3 | C9 | 179.4° | 179.0° |
| C16 | C14 | C15 | N4 | 96.0° | 62.2° |
| H18 | C14 | C15 | O3 | 158.6° | 121.0° |
| H18 | C14 | C16 | C17 | 136.9° | 141.6° |
| H18 | C14 | C16 | H19 | 104.0° | 100.0° |
| H18 | C14 | C16 | H20 | 17.8° | 23.3° |
| H18 | C14 | N3 | C9 | 63.4° | 61.4° |
| H18 | C14 | C15 | N4 | 21.4° | 59.0° |
| O3 | C15 | N4 | C19 | 1.5° | 0.1° |
| O3 | C15 | N4 | H25 | 178.5° | 180.0° |
| C17 | C16 | H19 | H20 | 122.5° | 123.2° |
| C16 | C17 | C18 | H21 | 119.1° | 118.1° |
| C16 | C17 | C18 | H22 | 119.1° | 118.0° |
| C16 | C17 | H21 | H22 | 122.7° | 123.9° |
| C16 | C17 | C18 | H23 | 87.3° | 81.6° |
| C16 | C17 | C18 | H24 | 151.6° | 156.1° |
| H19 | C16 | C17 | C18 | 150.6° | 154.0° |
| H19 | C16 | C17 | H21 | 31.5° | 35.8° |
| H19 | C16 | C17 | H22 | 90.3° | 88.1° |
| H20 | C16 | C17 | C18 | 87.7° | 82.7° |
| H20 | C16 | C17 | H21 | 153.2° | 159.1° |
| H20 | C16 | C17 | H22 | 31.4° | 35.2° |
| C18 | C17 | H21 | H22 | 122.7° | 123.9° |
| C17 | C18 | H23 | H24 | 121.7° | 122.3° |
| C17 | C18 | N3 | C9 | 158.3° | 155.8° |
| H21 | C17 | C18 | H23 | 153.7° | 160.3° |
| H21 | C17 | C18 | H24 | 32.5° | 38.0° |
| H22 | C17 | C18 | H23 | 31.8° | 36.4° |
| H22 | C17 | C18 | H24 | 89.4° | 85.9° |
| H23 | C18 | N3 | C9 | 82.3° | 85.2° |
| H24 | C18 | N3 | C9 | 38.9° | 37.1° |
| C19 | N4 | H25 | C15 | 180.0° | 179.9° |
| N4 | C19 | C20 | C21 | 115.3° | 120.0° |
| N4 | C19 | C20 | H26 | 120.4° | 120.0° |
| N4 | C19 | C21 | H26 | 126.6° | 120.0° |
| N4 | C19 | C20 | O4 | 61.1° | 0.0° |
| N4 | C19 | C21 | H27 | 180.0° | 60.0° |
| N4 | C19 | C21 | H28 | 60.0° | 60.0° |
| N4 | C19 | C21 | H29 | 60.0° | 180.0° |
| N4 | C19 | C20 | N5 | 115.5° | 180.0° |
| H25 | N4 | C19 | C20 | 118.4° | 25.1° |
| H25 | N4 | C19 | C21 | 4.0° | 94.9° |
| H25 | N4 | C19 | H26 | 122.0° | 145.1° |
| C20 | C19 | C21 | H26 | 124.2° | 120.0° |
| C19 | C20 | O4 | N5 | 176.7° | 180.0° |
| C20 | C19 | C21 | H27 | 70.8° | 180.0° |
| C20 | C19 | C21 | H28 | 169.2° | 60.0° |
| C20 | C19 | C21 | H29 | 49.2° | 60.0° |
| C19 | C20 | N5 | C22 | 177.8° | 180.0° |
| C19 | C20 | N5 | H30 | 2.2° | 0.0° |
| C20 | C19 | N4 | C15 | 61.6° | 155.0° |
| C21 | C19 | C20 | O4 | 54.2° | 120.0° |
| C19 | C21 | H27 | H28 | 120.0° | 120.0° |
| C19 | C21 | H27 | H29 | 120.0° | 119.9° |
| C19 | C21 | H28 | H29 | 120.0° | 119.9° |
| C21 | C19 | N4 | C15 | 176.0° | 85.0° |
| C21 | C19 | C20 | N5 | 129.2° | 60.0° |
| H26 | C19 | C20 | O4 | 178.5° | 120.0° |
| H26 | C19 | C21 | H27 | 53.4° | 59.9° |
| H26 | C19 | C21 | H28 | 66.6° | NaN° |
| H26 | C19 | C21 | H29 | 173.4° | 60.0° |
| H26 | C19 | N4 | C15 | 58.0° | 35.0° |
| H26 | C19 | C20 | N5 | 4.9° | 60.0° |
| O4 | C20 | N5 | C22 | 1.2° | 0.0° |
| O4 | C20 | N5 | H30 | 178.8° | 180.0° |
| H27 | C21 | H28 | H29 | 120.0° | 120.0° |
| C22 | N5 | H30 | C20 | 180.0° | 180.0° |
| N5 | C22 | C23 | C24 | 122.9° | 120.0° |
| N5 | C22 | C23 | H31 | 117.4° | 120.0° |
| N5 | C22 | C24 | H31 | 115.6° | 120.0° |
| N5 | C22 | C23 | O5 | 137.2° | 12.3° |
| N5 | C22 | C24 | O6 | 24.3° | 62.7° |
| N5 | C22 | C24 | C25 | 91.0° | 57.3° |
| N5 | C22 | C24 | H32 | 147.7° | 177.3° |
| N5 | C22 | C23 | N6 | 44.0° | 167.7° |
| H30 | N5 | C22 | C23 | 65.0° | 25.0° |
| H30 | N5 | C22 | C24 | 63.0° | 95.0° |
| H30 | N5 | C22 | H31 | 178.2° | 144.9° |
| C23 | C22 | C24 | H31 | 119.6° | 120.0° |
| C22 | C23 | O5 | N6 | 178.8° | 179.9° |
| C23 | C22 | C24 | O6 | 100.5° | 57.3° |
| C23 | C22 | C24 | C25 | 144.2° | 177.3° |
| C23 | C22 | C24 | H32 | 22.9° | 62.7° |
| C22 | C23 | N6 | C26 | 179.7° | 175.0° |
| C22 | C23 | N6 | H37 | 0.4° | 5.0° |
| C23 | C22 | N5 | C20 | 115.0° | 155.0° |
| C24 | C22 | C23 | O5 | 14.4° | 107.6° |
| C22 | C24 | O6 | C25 | 116.5° | 120.0° |
| C22 | C24 | O6 | H32 | 122.3° | 119.9° |
| C22 | C24 | C25 | H32 | 121.4° | 120.0° |
| C22 | C24 | O6 | H33 | 180.0° | 60.0° |
| C22 | C24 | C25 | H34 | 180.0° | 66.6° |
| C22 | C24 | C25 | H35 | 60.0° | 173.3° |
| C22 | C24 | C25 | H36 | 60.0° | 53.3° |
| C24 | C22 | N5 | C20 | 117.0° | 85.0° |
| C24 | C22 | C23 | N6 | 166.8° | 72.3° |
| H31 | C22 | C23 | O5 | 105.3° | 132.4° |
| H31 | C22 | C24 | O6 | 140.0° | 177.3° |
| H31 | C22 | C24 | C25 | 24.6° | 62.7° |
| H31 | C22 | C24 | H32 | 96.7° | 57.3° |
| H31 | C22 | N5 | C20 | 1.8° | 35.0° |
| H31 | C22 | C23 | N6 | 73.4° | 47.7° |
| O5 | C23 | N6 | C26 | 0.8° | 5.0° |
| O5 | C23 | N6 | H37 | 179.2° | 175.0° |
| O6 | C24 | C25 | H32 | 122.5° | 120.0° |
| O6 | C24 | C25 | H34 | 63.9° | 53.4° |
| O6 | C24 | C25 | H35 | 176.1° | 66.7° |
| O6 | C24 | C25 | H36 | 56.1° | 173.3° |
| C25 | C24 | O6 | H33 | 63.5° | 180.0° |
| C24 | C25 | H34 | H35 | 120.0° | 120.1° |
| C24 | C25 | H34 | H36 | 120.0° | 120.0° |
| C24 | C25 | H35 | H36 | 120.0° | 120.0° |
| H32 | C24 | O6 | H33 | 57.7° | 59.9° |
| H32 | C24 | C25 | H34 | 58.6° | 173.4° |
| H32 | C24 | C25 | H35 | 61.4° | 53.4° |
| H32 | C24 | C25 | H36 | 178.6° | 66.6° |
| H34 | C25 | H35 | H36 | 120.0° | 119.9° |
| C26 | N6 | H37 | C23 | 180.0° | 180.0° |
| N6 | C26 | C27 | C28 | 117.3° | 119.9° |
| N6 | C26 | C27 | H38 | 121.0° | 120.0° |
| N6 | C26 | C28 | H38 | 121.6° | 120.0° |
| N6 | C26 | C27 | O7 | 34.6° | 0.0° |
| N6 | C26 | C28 | H39 | 180.0° | 60.0° |
| N6 | C26 | C28 | H40 | 60.0° | 180.0° |
| N6 | C26 | C28 | H41 | 60.0° | 60.1° |
| N6 | C26 | C27 | N7 | 145.5° | 180.0° |
| H37 | N6 | C26 | C27 | 54.4° | 25.0° |
| H37 | N6 | C26 | C28 | 64.3° | 95.0° |
| H37 | N6 | C26 | H38 | 174.6° | 145.0° |
| C27 | C26 | C28 | H38 | 121.4° | 120.1° |
| C26 | C27 | O7 | N7 | 180.0° | 180.0° |
| C27 | C26 | C28 | H39 | 63.0° | 60.0° |
| C27 | C26 | C28 | H40 | 177.0° | 60.1° |
| C27 | C26 | C28 | H41 | 57.0° | 180.0° |
| C26 | C27 | N7 | C29 | 179.8° | 180.0° |
| C26 | C27 | N7 | H42 | 0.2° | 0.0° |
| C27 | C26 | N6 | C23 | 125.6° | 155.0° |
| C28 | C26 | C27 | O7 | 82.8° | 120.0° |
| C26 | C28 | H39 | H40 | 120.0° | 120.0° |
| C26 | C28 | H39 | H41 | 120.0° | 120.0° |
| C26 | C28 | H40 | H41 | 120.0° | 119.9° |
| C28 | C26 | N6 | C23 | 115.7° | 85.0° |
| C28 | C26 | C27 | N7 | 97.2° | 60.0° |
| H38 | C26 | C27 | O7 | 155.5° | 120.0° |
| H38 | C26 | C28 | H39 | 58.4° | 180.0° |
| H38 | C26 | C28 | H40 | 61.6° | 60.0° |
| H38 | C26 | C28 | H41 | 178.5° | 59.9° |
| H38 | C26 | N6 | C23 | 5.4° | 35.0° |
| H38 | C26 | C27 | N7 | 24.5° | 60.0° |
| O7 | C27 | N7 | C29 | 0.2° | 0.0° |
| O7 | C27 | N7 | H42 | 179.9° | 180.0° |
| H39 | C28 | H40 | H41 | 120.0° | 120.0° |
| C29 | N7 | H42 | C27 | 180.0° | 180.0° |
| N7 | C29 | C30 | C31 | 121.2° | 120.0° |
| N7 | C29 | C30 | H43 | 120.4° | 120.0° |
| N7 | C29 | C31 | H43 | 120.1° | 120.1° |
| N7 | C29 | C30 | O8 | 7.0° | 0.0° |
| N7 | C29 | C31 | H44 | 180.0° | 180.0° |
| N7 | C29 | C31 | H45 | 60.0° | 60.0° |
| N7 | C29 | C31 | H46 | 60.0° | 59.9° |
| N7 | C29 | C30 | N12 | 172.6° | 180.0° |
| H42 | N7 | C29 | C30 | 12.6° | 25.0° |
| H42 | N7 | C29 | C31 | 108.1° | 95.0° |
| H42 | N7 | C29 | H43 | 132.3° | 145.0° |
| C30 | C29 | C31 | H43 | 118.2° | 120.0° |
| C29 | C30 | O8 | N12 | 179.6° | 180.0° |
| C30 | C29 | C31 | H44 | 58.3° | 60.0° |
| C30 | C29 | C31 | H45 | 178.3° | 180.0° |
| C30 | C29 | C31 | H46 | 61.7° | 60.0° |
| C29 | C30 | N12 | C47 | 179.6° | 180.0° |
| C29 | C30 | N12 | H73 | 57.9° | 60.0° |
| C29 | C30 | N12 | H74 | 58.6° | 60.0° |
| C30 | C29 | N7 | C27 | 167.4° | 155.0° |
| C31 | C29 | C30 | O8 | 128.2° | 120.0° |
| C29 | C31 | H44 | H45 | 120.0° | 120.0° |
| C29 | C31 | H44 | H46 | 120.0° | 120.0° |
| C29 | C31 | H45 | H46 | 120.0° | 119.9° |
| C31 | C29 | N7 | C27 | 71.9° | 85.0° |
| C31 | C29 | C30 | N12 | 51.4° | 60.0° |
| H43 | C29 | C30 | O8 | 113.4° | 120.0° |
| H43 | C29 | C31 | H44 | 59.9° | 60.0° |
| H43 | C29 | C31 | H45 | 60.1° | 60.1° |
| H43 | C29 | C31 | H46 | 179.9° | 180.0° |
| H43 | C29 | N7 | C27 | 47.7° | 35.0° |
| H43 | C29 | C30 | N12 | 67.0° | 60.0° |
| O8 | C30 | N12 | C47 | 0.0° | 0.0° |
| O8 | C30 | N12 | H73 | 121.7° | 120.0° |
| O8 | C30 | N12 | H74 | 121.8° | 120.0° |
| H44 | C31 | H45 | H46 | 120.0° | 120.1° |
| O9 | C32 | C33 | N8 | 179.3° | 180.0° |
| O9 | C32 | C33 | H47 | 0.0° | 0.0° |
| O9 | C32 | C33 | H48 | 120.0° | 120.0° |
| O9 | C32 | C33 | H49 | 120.0° | 120.0° |
| O9 | C32 | N8 | C34 | 179.3° | 0.0° |
| O9 | C32 | N8 | H50 | 0.7° | 180.0° |
| C32 | C33 | H47 | H48 | 120.0° | 120.0° |
| C32 | C33 | H47 | H49 | 120.0° | 120.0° |
| C32 | C33 | H48 | H49 | 120.0° | 120.0° |
| C33 | C32 | N8 | C34 | 1.5° | 180.0° |
| C33 | C32 | N8 | H50 | 178.6° | 0.0° |
| H47 | C33 | H48 | H49 | 120.0° | 120.0° |
| H47 | C33 | C32 | N8 | 179.3° | 180.0° |
| H48 | C33 | C32 | N8 | 60.7° | 60.0° |
| H49 | C33 | C32 | N8 | 59.3° | 60.0° |
| C34 | N8 | H50 | C32 | 180.0° | 180.0° |
| N8 | C34 | C35 | C36 | 121.7° | 120.0° |
| N8 | C34 | C35 | H51 | 122.4° | 120.1° |
| N8 | C34 | C36 | H51 | 117.8° | 120.0° |
| N8 | C34 | C35 | O10 | 3.5° | 0.0° |
| N8 | C34 | C36 | H52 | 180.0° | 60.0° |
| N8 | C34 | C36 | H53 | 60.0° | 180.0° |
| N8 | C34 | C36 | H54 | 60.0° | 60.0° |
| N8 | C34 | C35 | N9 | 176.6° | 179.9° |
| H50 | N8 | C34 | C35 | 32.4° | 25.0° |
| H50 | N8 | C34 | C36 | 88.6° | 95.0° |
| H50 | N8 | C34 | H51 | 154.2° | 145.1° |
| C35 | C34 | C36 | H51 | 115.8° | 120.0° |
| C34 | C35 | O10 | N9 | 179.9° | 179.9° |
| C35 | C34 | C36 | H52 | 53.6° | 60.0° |
| C35 | C34 | C36 | H53 | 173.6° | 59.9° |
| C35 | C34 | C36 | H54 | 66.4° | 180.0° |
| C34 | C35 | N9 | C38 | 178.6° | 180.0° |
| C34 | C35 | N9 | H55 | 1.3° | 0.1° |
| C35 | C34 | N8 | C32 | 147.7° | 155.0° |
| C36 | C34 | C35 | O10 | 118.3° | 120.0° |
| C34 | C36 | H52 | H53 | 120.0° | 119.9° |
| C34 | C36 | H52 | H54 | 120.0° | 120.0° |
| C34 | C36 | H53 | H54 | 120.0° | 120.0° |
| C36 | C34 | N8 | C32 | 91.4° | 85.0° |
| C36 | C34 | C35 | N9 | 61.7° | 59.9° |
| H51 | C34 | C35 | O10 | 125.9° | 120.1° |
| H51 | C34 | C36 | H52 | 62.2° | 180.0° |
| H51 | C34 | C36 | H53 | 57.8° | 60.1° |
| H51 | C34 | C36 | H54 | 177.8° | 60.0° |
| H51 | C34 | N8 | C32 | 25.8° | 34.9° |
| H51 | C34 | C35 | N9 | 54.2° | 60.0° |
| O10 | C35 | N9 | C38 | 1.3° | 0.1° |
| O10 | C35 | N9 | H55 | 178.7° | 180.0° |
| H52 | C36 | H53 | H54 | 120.0° | 120.1° |
| N10 | C37 | O11 | C38 | 179.9° | 180.0° |
| N10 | C37 | C38 | N9 | 163.2° | 180.0° |
| C37 | N10 | H56 | H57 | 180.0° | 180.0° |
| N10 | C37 | C38 | C39 | 81.0° | 60.0° |
| N10 | C37 | C38 | H58 | 40.3° | 60.0° |
| O11 | C37 | C38 | N9 | 16.9° | 0.0° |
| O11 | C37 | N10 | H56 | 0.0° | 0.0° |
| O11 | C37 | N10 | H57 | 180.0° | 180.0° |
| O11 | C37 | C38 | C39 | 99.0° | 120.0° |
| O11 | C37 | C38 | H58 | 139.8° | 119.9° |
| C37 | C38 | N9 | C39 | 118.5° | 120.0° |
| C37 | C38 | N9 | H58 | 122.2° | 120.0° |
| C37 | C38 | N9 | H55 | 42.4° | 95.0° |
| C38 | C37 | N10 | H56 | 179.9° | 180.0° |
| C38 | C37 | N10 | H57 | 0.1° | 0.0° |
| C37 | C38 | C39 | H58 | 121.2° | 120.0° |
| C37 | C38 | C39 | C41 | 112.5° | 175.0° |
| C37 | C38 | C39 | H59 | 8.3° | 55.1° |
| C37 | C38 | C39 | H60 | 126.6° | 65.0° |
| C37 | C38 | N9 | C35 | 137.6° | 85.0° |
| C38 | N9 | H55 | C35 | 180.0° | 179.9° |
| N9 | C38 | C39 | H58 | 120.0° | 120.0° |
| N9 | C38 | C39 | C41 | 128.7° | 65.0° |
| N9 | C38 | C39 | H59 | 110.5° | 175.0° |
| N9 | C38 | C39 | H60 | 7.8° | 55.0° |
| H55 | N9 | C38 | C39 | 76.1° | 25.0° |
| H55 | N9 | C38 | H58 | 164.7° | 145.0° |
| C38 | C39 | C41 | H59 | 120.8° | 119.9° |
| C38 | C39 | C41 | H60 | 120.8° | 120.0° |
| C38 | C39 | H59 | H60 | 117.4° | 120.1° |
| C38 | C39 | C41 | C40 | 81.7° | 180.0° |
| C38 | C39 | C41 | H61 | 158.4° | 60.0° |
| C38 | C39 | C41 | H62 | 38.2° | 60.0° |
| C39 | C38 | N9 | C35 | 103.9° | 155.1° |
| H58 | C38 | C39 | C41 | 8.7° | 55.0° |
| H58 | C38 | C39 | H59 | 129.5° | 65.0° |
| H58 | C38 | C39 | H60 | 112.1° | 175.0° |
| H58 | C38 | N9 | C35 | 15.3° | 35.0° |
| C41 | C39 | H59 | H60 | 117.4° | 120.0° |
| C39 | C41 | C40 | H61 | 119.9° | 120.0° |
| C39 | C41 | C40 | H62 | 119.9° | 120.0° |
| C39 | C41 | C40 | O12 | 147.9° | 0.1° |
| C39 | C41 | H61 | H62 | 120.2° | 120.0° |
| C39 | C41 | C40 | N11 | 32.5° | 180.0° |
| H59 | C39 | C41 | C40 | 39.1° | 60.1° |
| H59 | C39 | C41 | H61 | 80.8° | 180.0° |
| H59 | C39 | C41 | H62 | 159.1° | 60.0° |
| H60 | C39 | C41 | C40 | 157.5° | 60.0° |
| H60 | C39 | C41 | H61 | 37.5° | 60.0° |
| H60 | C39 | C41 | H62 | 82.6° | 180.0° |
| C41 | C40 | O12 | N11 | 179.6° | 179.9° |
| C40 | C41 | H61 | H62 | 120.2° | 120.0° |
| C41 | C40 | N11 | C42 | 178.0° | 180.0° |
| C41 | C40 | N11 | H63 | 2.0° | 0.0° |
| O12 | C40 | C41 | H61 | 92.2° | 120.1° |
| O12 | C40 | C41 | H62 | 27.9° | 119.9° |
| O12 | C40 | N11 | C42 | 2.3° | 0.1° |
| O12 | C40 | N11 | H63 | 177.7° | 179.9° |
| H61 | C41 | C40 | N11 | 87.4° | 60.0° |
| H62 | C41 | C40 | N11 | 152.4° | 60.0° |
| C42 | N11 | H63 | C40 | 180.0° | 180.0° |
| N11 | C42 | C43 | C44 | 135.6° | 120.0° |
| N11 | C42 | C43 | H64 | 114.5° | 120.0° |
| N11 | C42 | C44 | H64 | 111.0° | 120.0° |
| N11 | C42 | C43 | O13 | 162.4° | 0.1° |
| N11 | C42 | C44 | C45 | 54.5° | 65.0° |
| N11 | C42 | C44 | H65 | 175.4° | 55.0° |
| N11 | C42 | C44 | H66 | 66.5° | 175.0° |
| N11 | C42 | C43 | N13 | 20.1° | 180.0° |
| H63 | N11 | C42 | C43 | 176.0° | 95.0° |
| H63 | N11 | C42 | C44 | 40.6° | 25.0° |
| H63 | N11 | C42 | H64 | 70.0° | 145.0° |
| C43 | C42 | C44 | H64 | 109.9° | 119.9° |
| C42 | C43 | O13 | N13 | 177.8° | 179.9° |
| C43 | C42 | C44 | C45 | 84.6° | 175.0° |
| C43 | C42 | C44 | H65 | 36.3° | 65.1° |
| C43 | C42 | C44 | H66 | 154.4° | 55.0° |
| C42 | C43 | N13 | C48 | 175.9° | 180.0° |
| C42 | C43 | N13 | H75 | 4.1° | 0.0° |
| C43 | C42 | N11 | C40 | 4.0° | 85.0° |
| C44 | C42 | C43 | O13 | 26.8° | 120.0° |
| C42 | C44 | C45 | H65 | 121.0° | 120.0° |
| C42 | C44 | C45 | H66 | 121.0° | 120.0° |
| C42 | C44 | H65 | H66 | 116.9° | 120.0° |
| C42 | C44 | C45 | C46 | 123.0° | NaN° |
| C42 | C44 | C45 | H67 | 116.7° | 60.0° |
| C42 | C44 | C45 | H68 | 2.6° | 60.0° |
| C44 | C42 | N11 | C40 | 139.4° | 155.0° |
| C44 | C42 | C43 | N13 | 155.6° | 60.0° |
| H64 | C42 | C43 | O13 | 83.2° | 120.1° |
| H64 | C42 | C44 | C45 | 165.5° | 55.0° |
| H64 | C42 | C44 | H65 | 73.5° | 175.0° |
| H64 | C42 | C44 | H66 | 44.5° | 65.0° |
| H64 | C42 | N11 | C40 | 110.0° | 35.0° |
| H64 | C42 | C43 | N13 | 94.4° | 60.0° |
| O13 | C43 | N13 | C48 | 1.6° | 0.0° |
| O13 | C43 | N13 | H75 | 178.4° | 179.9° |
| C45 | C44 | H65 | H66 | 117.0° | 120.0° |
| C44 | C45 | C46 | H67 | 120.4° | 120.0° |
| C44 | C45 | C46 | H68 | 120.4° | 120.0° |
| C44 | C45 | H67 | H68 | 118.9° | 120.0° |
| C44 | C45 | C46 | C47 | 89.0° | NaN° |
| C44 | C45 | C46 | H69 | 150.4° | 60.1° |
| C44 | C45 | C46 | H70 | 31.5° | 60.0° |
| H65 | C44 | C45 | C46 | 2.0° | 60.0° |
| H65 | C44 | C45 | H67 | 122.4° | 180.0° |
| H65 | C44 | C45 | H68 | 118.4° | 60.0° |
| H66 | C44 | C45 | C46 | 116.1° | 60.0° |
| H66 | C44 | C45 | H67 | 4.3° | 60.0° |
| H66 | C44 | C45 | H68 | 123.6° | 180.0° |
| C46 | C45 | H67 | H68 | 118.8° | 120.0° |
| C45 | C46 | C47 | H69 | 120.6° | 120.0° |
| C45 | C46 | C47 | H70 | 120.5° | 120.0° |
| C45 | C46 | H69 | H70 | 118.3° | 120.1° |
| C45 | C46 | C47 | N12 | 53.7° | 180.0° |
| C45 | C46 | C47 | H71 | 173.9° | 60.0° |
| C45 | C46 | C47 | H72 | 66.4° | 60.0° |
| H67 | C45 | C46 | C47 | 31.4° | 60.0° |
| H67 | C45 | C46 | H69 | 89.2° | 180.0° |
| H67 | C45 | C46 | H70 | 151.9° | 60.0° |
| H68 | C45 | C46 | C47 | 150.6° | 60.0° |
| H68 | C45 | C46 | H69 | 30.0° | 60.0° |
| H68 | C45 | C46 | H70 | 88.9° | 180.0° |
| C47 | C46 | H69 | H70 | 118.3° | 120.0° |
| C46 | C47 | N12 | H71 | 120.1° | 120.0° |
| C46 | C47 | N12 | H72 | 120.2° | 120.0° |
| C46 | C47 | H71 | H72 | 119.6° | 120.0° |
| C46 | C47 | N12 | H73 | 64.4° | 60.0° |
| C46 | C47 | N12 | H74 | 52.2° | 60.0° |
| C46 | C47 | N12 | C30 | 173.9° | 180.0° |
| H69 | C46 | C47 | N12 | 66.8° | 60.0° |
| H69 | C46 | C47 | H71 | 53.3° | 180.0° |
| H69 | C46 | C47 | H72 | 173.0° | 60.0° |
| H70 | C46 | C47 | N12 | 174.3° | 60.0° |
| H70 | C46 | C47 | H71 | 65.6° | 60.0° |
| H70 | C46 | C47 | H72 | 54.1° | 179.9° |
| N12 | C47 | H71 | H72 | 119.6° | 120.0° |
| C47 | N12 | H73 | H74 | 114.4° | 120.0° |
| C47 | N12 | H73 | C30 | 131.3° | 120.0° |
| C47 | N12 | H74 | C30 | 131.3° | 120.0° |
| H71 | C47 | N12 | H73 | 175.5° | 60.0° |
| H71 | C47 | N12 | H74 | 68.0° | 180.0° |
| H71 | C47 | N12 | C30 | 53.7° | 60.0° |
| H72 | C47 | N12 | H73 | 55.8° | 180.0° |
| H72 | C47 | N12 | H74 | 172.4° | 60.0° |
| H72 | C47 | N12 | C30 | 65.9° | 60.0° |
| H73 | N12 | H74 | C30 | 114.4° | 120.1° |
| C48 | N13 | H75 | C43 | 180.0° | 180.0° |
| N13 | C48 | C49 | C50 | 125.3° | 120.0° |
| N13 | C48 | C49 | H76 | 117.7° | 120.0° |
| N13 | C48 | C50 | H76 | 131.9° | 120.0° |
| N13 | C48 | C49 | H77 | 180.0° | 60.0° |
| N13 | C48 | C49 | H78 | 60.0° | 60.0° |
| N13 | C48 | C49 | H79 | 60.0° | 180.0° |
| N13 | C48 | C50 | O14 | 22.0° | 0.0° |
| N13 | C48 | C50 | N14 | 161.6° | 180.0° |
| H75 | N13 | C48 | C49 | 83.5° | 95.0° |
| H75 | N13 | C48 | C50 | 27.7° | 25.0° |
| H75 | N13 | C48 | H76 | 159.2° | 145.0° |
| C49 | C48 | C50 | H76 | 117.4° | 120.1° |
| C48 | C49 | H77 | H78 | 120.0° | 120.0° |
| C48 | C49 | H77 | H79 | 120.0° | 119.9° |
| C48 | C49 | H78 | H79 | 120.0° | 120.0° |
| C49 | C48 | C50 | O14 | 88.8° | 120.0° |
| C49 | C48 | N13 | C43 | 96.5° | 85.0° |
| C49 | C48 | C50 | N14 | 87.6° | 60.0° |
| C50 | C48 | C49 | H77 | 54.8° | 59.9° |
| C50 | C48 | C49 | H78 | 65.3° | 179.9° |
| C50 | C48 | C49 | H79 | 174.8° | 60.0° |
| C48 | C50 | O14 | N14 | 176.5° | 179.9° |
| C48 | C50 | N14 | C51 | 3.6° | 180.0° |
| C48 | C50 | N14 | H80 | 176.4° | 0.0° |
| C50 | C48 | N13 | C43 | 152.3° | 155.0° |
| H76 | C48 | C49 | H77 | 62.3° | 180.0° |
| H76 | C48 | C49 | H78 | 177.7° | 60.0° |
| H76 | C48 | C49 | H79 | 57.7° | 60.1° |
| H76 | C48 | C50 | O14 | 153.9° | 119.9° |
| H76 | C48 | N13 | C43 | 20.8° | 35.0° |
| H76 | C48 | C50 | N14 | 29.7° | 60.0° |
| H77 | C49 | H78 | H79 | 120.0° | 120.0° |
| O14 | C50 | N14 | C51 | 179.9° | 0.0° |
| O14 | C50 | N14 | H80 | 0.0° | 180.0° |
| C51 | N14 | H80 | C50 | 180.0° | 180.0° |
| N14 | C51 | C52 | C53 | 118.7° | 120.0° |
| N14 | C51 | C52 | H81 | 125.0° | 120.0° |
| N14 | C51 | C53 | H81 | 119.2° | 120.0° |
| N14 | C51 | C52 | H82 | 180.0° | 60.0° |
| N14 | C51 | C52 | H83 | 60.0° | 60.0° |
| N14 | C51 | C52 | H84 | 60.0° | 180.0° |
| N14 | C51 | C53 | O15 | 177.5° | 0.0° |
| N14 | C51 | C53 | O16 | 3.7° | 180.0° |
| H80 | N14 | C51 | C52 | 114.0° | 95.0° |
| H80 | N14 | C51 | C53 | 2.7° | 25.0° |
| H80 | N14 | C51 | H81 | 121.4° | 145.0° |
| C52 | C51 | C53 | H81 | 116.3° | 119.9° |
| C51 | C52 | H82 | H83 | 120.0° | 120.0° |
| C51 | C52 | H82 | H84 | 120.0° | 120.0° |
| C51 | C52 | H83 | H84 | 119.9° | 119.9° |
| C52 | C51 | C53 | O15 | 58.1° | 120.0° |
| C52 | C51 | C53 | O16 | 120.7° | 60.0° |
| C52 | C51 | N14 | C50 | 66.1° | 85.0° |
| C53 | C51 | C52 | H82 | 61.3° | 60.0° |
| C53 | C51 | C52 | H83 | 58.7° | 180.0° |
| C53 | C51 | C52 | H84 | 178.6° | 60.0° |
| C51 | C53 | O15 | O16 | 178.8° | 180.0° |
| C51 | C53 | O16 | H85 | 178.7° | 180.0° |
| C53 | C51 | N14 | C50 | 177.3° | 155.0° |
| H81 | C51 | C52 | H82 | 55.1° | 180.0° |
| H81 | C51 | C52 | H83 | 175.1° | 60.0° |
| H81 | C51 | C52 | H84 | 65.0° | 59.9° |
| H81 | C51 | C53 | O15 | 58.3° | 120.0° |
| H81 | C51 | C53 | O16 | 123.0° | 60.0° |
| H81 | C51 | N14 | C50 | 58.6° | 35.0° |
| H82 | C52 | H83 | H84 | 120.1° | 120.1° |
| O15 | C53 | O16 | H85 | 0.0° | 0.0° |
