PRD_002532
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | C10 | sing | 1.47Å | 1.45Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.26Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | C11 | sing | 1.47Å | 1.46Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | C13 | sing | 1.53Å | 1.54Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | O2 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | C16 | sing | 1.53Å | 1.51Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| N3 | C17 | sing | 1.46Å | 1.46Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | O3 | doub | 1.21Å | 1.23Å | |
| C19 | O4 | sing | 1.43Å | 1.42Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| O4 | H28 | sing | 0.97Å | 0.95Å | |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| N5 | C24 | sing | 1.35Å | 1.45Å | |
| C24 | O5 | doub | 1.21Å | 1.19Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C25 | C21 | sing | 1.51Å | 1.53Å | |
| C25 | O6 | doub | 1.21Å | 1.18Å | |
| C21 | N4 | sing | 1.47Å | 1.47Å | |
| C20 | N4 | sing | 1.47Å | 1.47Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| N5 | H37 | sing | 0.97Å | 1.00Å | |
| N5 | H38 | sing | 0.97Å | 1.00Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C26 | N6 | sing | 1.46Å | 1.45Å | |
| C26 | C31 | sing | 1.51Å | 1.53Å | |
| C31 | O7 | doub | 1.21Å | 1.19Å | |
| N6 | H39 | sing | 0.97Å | 1.00Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C30 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| N7 | C32 | sing | 1.46Å | 1.46Å | |
| N7 | H50 | sing | 0.97Å | 1.00Å | |
| C32 | C33 | sing | 1.51Å | 1.53Å | |
| C32 | C34 | sing | 1.53Å | 1.56Å | |
| C32 | H51 | sing | 1.09Å | 1.10Å | |
| C33 | O8 | doub | 1.21Å | 1.23Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | C36 | sing | 1.53Å | 1.53Å | |
| C34 | H52 | sing | 1.09Å | 1.10Å | |
| C35 | C37 | sing | 1.53Å | 1.52Å | |
| C35 | H53 | sing | 1.09Å | 1.10Å | |
| C35 | H54 | sing | 1.09Å | 1.10Å | |
| C36 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| C36 | H57 | sing | 1.09Å | 1.10Å | |
| C37 | H58 | sing | 1.09Å | 1.10Å | |
| C37 | H59 | sing | 1.09Å | 1.10Å | |
| C37 | H60 | sing | 1.09Å | 1.10Å | |
| N8 | C38 | sing | 1.46Å | 1.46Å | |
| N8 | H61 | sing | 0.97Å | 1.00Å | |
| C38 | C39 | sing | 1.51Å | 1.52Å | |
| C38 | C40 | sing | 1.53Å | 1.53Å | |
| C38 | H62 | sing | 1.09Å | 1.10Å | |
| C39 | O9 | doub | 1.21Å | 1.23Å | |
| C40 | O10 | sing | 1.43Å | 1.42Å | |
| C40 | H63 | sing | 1.09Å | 1.10Å | |
| C40 | H64 | sing | 1.09Å | 1.10Å | |
| O10 | H65 | sing | 0.97Å | 0.95Å | |
| N9 | C41 | sing | 1.47Å | 1.46Å | |
| N9 | H66 | sing | 0.97Å | 1.00Å | |
| C41 | C42 | sing | 1.53Å | 1.54Å | |
| C41 | C44 | sing | 1.51Å | 1.53Å | |
| C41 | H67 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 1.51Å | |
| C42 | O11 | sing | 1.45Å | 1.43Å | |
| C42 | H68 | sing | 1.09Å | 1.10Å | |
| C43 | H69 | sing | 1.09Å | 1.10Å | |
| C43 | H70 | sing | 1.09Å | 1.10Å | |
| C43 | H71 | sing | 1.09Å | 1.10Å | |
| C44 | O12 | doub | 1.21Å | 1.22Å | |
| N10 | C45 | sing | 1.48Å | 1.46Å | |
| N10 | H72 | sing | 0.97Å | 1.00Å | |
| C45 | C46 | sing | 1.51Å | 1.53Å | |
| C45 | C47 | sing | 1.53Å | 1.51Å | |
| C45 | H73 | sing | 1.09Å | 1.10Å | |
| C46 | O13 | doub | 1.21Å | 1.23Å | |
| C47 | H74 | sing | 1.09Å | 1.10Å | |
| C47 | H75 | sing | 1.09Å | 1.10Å | |
| C47 | H76 | sing | 1.09Å | 1.10Å | |
| N11 | C48 | sing | 1.49Å | 1.46Å | |
| N11 | H77 | sing | 0.97Å | 1.00Å | |
| C48 | C49 | sing | 1.51Å | 1.52Å | |
| C48 | C50 | sing | 1.53Å | 1.53Å | |
| C48 | H78 | sing | 1.09Å | 1.10Å | |
| C49 | O14 | doub | 1.21Å | 1.23Å | |
| C50 | C51 | sing | 1.53Å | 1.53Å | |
| C50 | H79 | sing | 1.09Å | 1.10Å | |
| C50 | H80 | sing | 1.09Å | 1.10Å | |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| C51 | H81 | sing | 1.09Å | 1.10Å | |
| C51 | H82 | sing | 1.09Å | 1.10Å | |
| C52 | C53 | sing | 1.53Å | 1.52Å | |
| C52 | H83 | sing | 1.09Å | 1.10Å | |
| C52 | H84 | sing | 1.09Å | 1.10Å | |
| C53 | N12 | sing | 1.47Å | 1.49Å | |
| C53 | H85 | sing | 1.09Å | 1.10Å | |
| C53 | H86 | sing | 1.09Å | 1.10Å | |
| N12 | H87 | sing | 1.01Å | 1.00Å | |
| N12 | H88 | sing | 1.01Å | 1.00Å | |
| N12 | H89 | sing | 1.01Å | 1.00Å | |
| N13 | C54 | sing | 1.48Å | 1.45Å | |
| N13 | H90 | sing | 0.97Å | 1.00Å | |
| C54 | C55 | sing | 1.51Å | 1.52Å | |
| C54 | C56 | sing | 1.53Å | 1.54Å | |
| C54 | H91 | sing | 1.09Å | 1.10Å | |
| C55 | O15 | doub | 1.21Å | 1.23Å | |
| C56 | C57 | sing | 1.53Å | 1.53Å | |
| C56 | C58 | sing | 1.53Å | 1.53Å | |
| C56 | H92 | sing | 1.09Å | 1.10Å | |
| C57 | C59 | sing | 1.53Å | 1.51Å | |
| C57 | H93 | sing | 1.09Å | 1.10Å | |
| C57 | H94 | sing | 1.09Å | 1.10Å | |
| C58 | H95 | sing | 1.09Å | 1.10Å | |
| C58 | H96 | sing | 1.09Å | 1.10Å | |
| C58 | H97 | sing | 1.09Å | 1.10Å | |
| C59 | H98 | sing | 1.09Å | 1.10Å | |
| C59 | H99 | sing | 1.09Å | 1.10Å | |
| C59 | H100 | sing | 1.09Å | 1.10Å | |
| C2 | N2 | sing | 1.35Å | 1.33Å | |
| C12 | N3 | sing | 1.35Å | 1.33Å | |
| C18 | N4 | sing | 1.35Å | 1.34Å | |
| C25 | N6 | sing | 1.35Å | 1.33Å | |
| C31 | N7 | sing | 1.35Å | 1.33Å | |
| C33 | N8 | sing | 1.35Å | 1.33Å | |
| C39 | N9 | sing | 1.35Å | 1.33Å | |
| C44 | N10 | sing | 1.37Å | 1.33Å | |
| O11 | C55 | sing | 1.34Å | 1.33Å | |
| C46 | N11 | sing | 1.37Å | 1.33Å | |
| C49 | N13 | sing | 1.37Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C10 | 115.6° | 111.0° |
| C1 | N1 | H1 | 107.9° | 111.0° |
| N1 | C1 | C2 | 104.5° | 109.5° |
| N1 | C1 | C3 | 115.8° | 109.5° |
| N1 | C1 | H2 | 110.4° | 109.5° |
| C10 | N1 | H1 | 107.9° | 111.0° |
| N1 | C10 | H10 | 109.5° | 109.5° |
| N1 | C10 | H11 | 109.5° | 109.5° |
| N1 | C10 | H12 | 109.5° | 109.5° |
| C2 | C1 | C3 | 106.9° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C1 | C2 | O1 | 119.4° | 119.9° |
| C1 | C2 | N2 | 117.7° | 120.0° |
| C3 | C1 | H2 | 109.4° | 109.4° |
| C1 | C3 | C4 | 106.9° | 109.4° |
| C1 | C3 | H3 | 110.1° | 109.5° |
| C1 | C3 | H4 | 110.1° | 109.4° |
| O1 | C2 | N2 | 122.9° | 120.1° |
| C4 | C3 | H3 | 110.1° | 109.4° |
| C4 | C3 | H4 | 110.1° | 109.5° |
| C3 | C4 | C5 | 120.2° | 120.0° |
| C3 | C4 | C6 | 119.9° | 119.9° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| C5 | C4 | C6 | 119.9° | 120.0° |
| C4 | C5 | C7 | 120.0° | 120.0° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C4 | C6 | C8 | 120.1° | 120.0° |
| C4 | C6 | H6 | 120.0° | 120.0° |
| C7 | C5 | H5 | 120.0° | 120.0° |
| C5 | C7 | C9 | 120.0° | 120.0° |
| C5 | C7 | H7 | 120.0° | 120.0° |
| C8 | C6 | H6 | 120.0° | 120.0° |
| C6 | C8 | C9 | 120.0° | 120.0° |
| C6 | C8 | H8 | 120.0° | 120.0° |
| C9 | C7 | H7 | 120.0° | 120.0° |
| C7 | C9 | C8 | 120.0° | 120.0° |
| C7 | C9 | H9 | 120.0° | 120.0° |
| C9 | C8 | H8 | 120.0° | 120.0° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| H10 | C10 | H11 | 109.4° | 109.4° |
| H10 | C10 | H12 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.4° | 109.4° |
| C11 | N2 | H13 | 119.7° | 120.0° |
| N2 | C11 | C12 | 108.7° | 109.5° |
| N2 | C11 | C13 | 112.4° | 109.4° |
| N2 | C11 | H14 | 109.1° | 109.5° |
| C11 | N2 | C2 | 120.6° | 120.0° |
| H13 | N2 | C2 | 119.7° | 120.0° |
| C12 | C11 | C13 | 110.2° | 109.5° |
| C12 | C11 | H14 | 108.2° | 109.5° |
| C11 | C12 | O2 | 120.8° | 120.0° |
| C11 | C12 | N3 | 116.1° | 120.0° |
| C13 | C11 | H14 | 108.0° | 109.5° |
| C11 | C13 | C14 | 111.3° | 109.5° |
| C11 | C13 | C15 | 109.7° | 109.5° |
| C11 | C13 | H15 | 108.3° | 109.4° |
| O2 | C12 | N3 | 123.1° | 120.0° |
| C14 | C13 | C15 | 110.6° | 109.5° |
| C14 | C13 | H15 | 108.4° | 109.4° |
| C13 | C14 | C16 | 114.1° | 109.5° |
| C13 | C14 | H16 | 108.3° | 109.4° |
| C13 | C14 | H17 | 108.3° | 109.5° |
| C15 | C13 | H15 | 108.5° | 109.5° |
| C13 | C15 | H18 | 109.5° | 109.5° |
| C13 | C15 | H19 | 109.5° | 109.5° |
| C13 | C15 | H20 | 109.5° | 109.5° |
| C16 | C14 | H16 | 108.3° | 109.4° |
| C16 | C14 | H17 | 108.3° | 109.5° |
| C14 | C16 | H21 | 109.5° | 109.5° |
| C14 | C16 | H22 | 109.5° | 109.5° |
| C14 | C16 | H23 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.4° | 109.4° |
| H18 | C15 | H20 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.4° |
| H21 | C16 | H23 | 109.5° | 109.4° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| C17 | N3 | H24 | 119.0° | 120.1° |
| N3 | C17 | C18 | 109.2° | 109.4° |
| N3 | C17 | C19 | 110.6° | 109.5° |
| N3 | C17 | H25 | 109.5° | 109.5° |
| C17 | N3 | C12 | 122.1° | 120.0° |
| H24 | N3 | C12 | 118.9° | 119.9° |
| C18 | C17 | C19 | 110.5° | 109.5° |
| C18 | C17 | H25 | 108.5° | 109.5° |
| C17 | C18 | O3 | 119.4° | 120.0° |
| C17 | C18 | N4 | 118.6° | 120.0° |
| C19 | C17 | H25 | 108.5° | 109.5° |
| C17 | C19 | O4 | 111.3° | 109.5° |
| C17 | C19 | H26 | 109.0° | 109.5° |
| C17 | C19 | H27 | 109.0° | 109.4° |
| O3 | C18 | N4 | 122.1° | 120.0° |
| O4 | C19 | H26 | 109.0° | 109.5° |
| O4 | C19 | H27 | 109.0° | 109.5° |
| C19 | O4 | H28 | 109.5° | 114.0° |
| H26 | C19 | H27 | 109.5° | 109.5° |
| C24 | C23 | C22 | 111.1° | 109.5° |
| C23 | C24 | N5 | 121.1° | 120.0° |
| C23 | C24 | O5 | 119.4° | 120.0° |
| C24 | C23 | H35 | 109.1° | 109.5° |
| C24 | C23 | H36 | 109.1° | 109.5° |
| C23 | C22 | C21 | 107.4° | 109.5° |
| C23 | C22 | H33 | 110.0° | 109.5° |
| C23 | C22 | H34 | 110.0° | 109.4° |
| C22 | C23 | H35 | 109.1° | 109.5° |
| C22 | C23 | H36 | 109.0° | 109.4° |
| N5 | C24 | O5 | 119.5° | 120.0° |
| C24 | N5 | H37 | 120.0° | 120.0° |
| C24 | N5 | H38 | 120.0° | 120.0° |
| C22 | C21 | C25 | 110.0° | 109.5° |
| C22 | C21 | N4 | 112.3° | 109.5° |
| C22 | C21 | H32 | 106.8° | 109.4° |
| C21 | C22 | H33 | 110.0° | 109.5° |
| C21 | C22 | H34 | 110.0° | 109.5° |
| C21 | C25 | O6 | 122.2° | 120.0° |
| C25 | C21 | N4 | 113.1° | 109.5° |
| C25 | C21 | H32 | 106.8° | 109.5° |
| C21 | C25 | N6 | 114.5° | 120.0° |
| O6 | C25 | N6 | 123.3° | 120.0° |
| C21 | N4 | C20 | 111.8° | 120.0° |
| N4 | C21 | H32 | 107.5° | 109.5° |
| C21 | N4 | C18 | 119.9° | 120.0° |
| N4 | C20 | H29 | 109.5° | 109.5° |
| N4 | C20 | H30 | 109.4° | 109.5° |
| N4 | C20 | H31 | 109.5° | 109.4° |
| C20 | N4 | C18 | 128.2° | 120.0° |
| H29 | C20 | H30 | 109.5° | 109.4° |
| H29 | C20 | H31 | 109.4° | 109.5° |
| H30 | C20 | H31 | 109.5° | 109.5° |
| H33 | C22 | H34 | 109.5° | 109.5° |
| H35 | C23 | H36 | 109.5° | 109.5° |
| H37 | N5 | H38 | 120.0° | 120.0° |
| C28 | C27 | C29 | 108.6° | 109.5° |
| C28 | C27 | C26 | 109.7° | 109.5° |
| C28 | C27 | H41 | 108.8° | 109.5° |
| C27 | C28 | H42 | 109.5° | 109.5° |
| C27 | C28 | H43 | 109.5° | 109.5° |
| C27 | C28 | H44 | 109.5° | 109.5° |
| C29 | C27 | C26 | 112.3° | 109.5° |
| C27 | C29 | C30 | 111.7° | 109.5° |
| C29 | C27 | H41 | 108.8° | 109.4° |
| C27 | C29 | H45 | 108.9° | 109.5° |
| C27 | C29 | H46 | 108.9° | 109.5° |
| C27 | C26 | N6 | 110.8° | 109.5° |
| C27 | C26 | C31 | 107.8° | 109.5° |
| C27 | C26 | H40 | 110.0° | 109.5° |
| C26 | C27 | H41 | 108.7° | 109.5° |
| C30 | C29 | H45 | 108.9° | 109.5° |
| C30 | C29 | H46 | 108.9° | 109.4° |
| C29 | C30 | H47 | 109.5° | 109.5° |
| C29 | C30 | H48 | 109.5° | 109.5° |
| C29 | C30 | H49 | 109.5° | 109.4° |
| N6 | C26 | C31 | 106.9° | 109.5° |
| C26 | N6 | H39 | 118.2° | 120.0° |
| N6 | C26 | H40 | 111.1° | 109.5° |
| C26 | N6 | C25 | 123.7° | 120.0° |
| C26 | C31 | O7 | 119.2° | 120.0° |
| C31 | C26 | H40 | 110.1° | 109.4° |
| C26 | C31 | N7 | 117.8° | 120.0° |
| O7 | C31 | N7 | 123.0° | 120.0° |
| H39 | N6 | C25 | 118.1° | 120.0° |
| H42 | C28 | H43 | 109.5° | 109.4° |
| H42 | C28 | H44 | 109.5° | 109.5° |
| H43 | C28 | H44 | 109.5° | 109.5° |
| H45 | C29 | H46 | 109.5° | 109.5° |
| H47 | C30 | H48 | 109.5° | 109.5° |
| H47 | C30 | H49 | 109.5° | 109.5° |
| H48 | C30 | H49 | 109.4° | 109.5° |
| C32 | N7 | H50 | 119.5° | 119.9° |
| N7 | C32 | C33 | 111.4° | 109.5° |
| N7 | C32 | C34 | 111.5° | 109.5° |
| N7 | C32 | H51 | 108.3° | 109.5° |
| C32 | N7 | C31 | 120.9° | 120.0° |
| H50 | N7 | C31 | 119.5° | 120.0° |
| C33 | C32 | C34 | 110.6° | 109.5° |
| C33 | C32 | H51 | 107.6° | 109.5° |
| C32 | C33 | O8 | 121.0° | 119.9° |
| C32 | C33 | N8 | 115.9° | 120.0° |
| C34 | C32 | H51 | 107.2° | 109.4° |
| C32 | C34 | C35 | 111.6° | 109.4° |
| C32 | C34 | C36 | 110.6° | 109.4° |
| C32 | C34 | H52 | 107.6° | 109.5° |
| O8 | C33 | N8 | 123.1° | 120.1° |
| C35 | C34 | C36 | 110.9° | 109.5° |
| C35 | C34 | H52 | 108.0° | 109.5° |
| C34 | C35 | C37 | 113.9° | 109.5° |
| C34 | C35 | H53 | 108.3° | 109.4° |
| C34 | C35 | H54 | 108.4° | 109.5° |
| C36 | C34 | H52 | 108.0° | 109.5° |
| C34 | C36 | H55 | 109.5° | 109.5° |
| C34 | C36 | H56 | 109.5° | 109.5° |
| C34 | C36 | H57 | 109.4° | 109.5° |
| C37 | C35 | H53 | 108.4° | 109.5° |
| C37 | C35 | H54 | 108.3° | 109.6° |
| C35 | C37 | H58 | 109.5° | 109.5° |
| C35 | C37 | H59 | 109.5° | 109.4° |
| C35 | C37 | H60 | 109.5° | 109.5° |
| H53 | C35 | H54 | 109.5° | 109.5° |
| H55 | C36 | H56 | 109.4° | 109.5° |
| H55 | C36 | H57 | 109.5° | 109.5° |
| H56 | C36 | H57 | 109.5° | 109.4° |
| H58 | C37 | H59 | 109.5° | 109.5° |
| H58 | C37 | H60 | 109.5° | 109.5° |
| H59 | C37 | H60 | 109.5° | 109.5° |
| C38 | N8 | H61 | 118.9° | 120.0° |
| N8 | C38 | C39 | 111.2° | 109.5° |
| N8 | C38 | C40 | 110.7° | 109.5° |
| N8 | C38 | H62 | 109.1° | 109.5° |
| C38 | N8 | C33 | 122.3° | 120.0° |
| H61 | N8 | C33 | 118.8° | 120.0° |
| C39 | C38 | C40 | 109.4° | 109.5° |
| C39 | C38 | H62 | 108.2° | 109.5° |
| C38 | C39 | O9 | 120.6° | 120.1° |
| C38 | C39 | N9 | 116.4° | 120.0° |
| C40 | C38 | H62 | 108.2° | 109.4° |
| C38 | C40 | O10 | 110.8° | 109.5° |
| C38 | C40 | H63 | 109.1° | 109.5° |
| C38 | C40 | H64 | 109.1° | 109.5° |
| O9 | C39 | N9 | 123.0° | 119.9° |
| O10 | C40 | H63 | 109.2° | 109.4° |
| O10 | C40 | H64 | 109.1° | 109.5° |
| C40 | O10 | H65 | 109.5° | 114.0° |
| H63 | C40 | H64 | 109.5° | 109.5° |
| C41 | N9 | H66 | 119.3° | 120.0° |
| N9 | C41 | C42 | 112.5° | 109.5° |
| N9 | C41 | C44 | 110.5° | 109.5° |
| N9 | C41 | H67 | 108.5° | 109.5° |
| C41 | N9 | C39 | 121.3° | 120.0° |
| H66 | N9 | C39 | 119.3° | 120.0° |
| C42 | C41 | C44 | 110.0° | 109.3° |
| C42 | C41 | H67 | 107.5° | 109.5° |
| C41 | C42 | C43 | 110.7° | 109.5° |
| C41 | C42 | O11 | 110.4° | 109.3° |
| C41 | C42 | H68 | 108.3° | 109.5° |
| C44 | C41 | H67 | 107.7° | 109.5° |
| C41 | C44 | O12 | 120.5° | 120.5° |
| C41 | C44 | N10 | 116.7° | 119.0° |
| C43 | C42 | O11 | 109.0° | 109.5° |
| C43 | C42 | H68 | 108.7° | 109.5° |
| C42 | C43 | H69 | 109.5° | 109.5° |
| C42 | C43 | H70 | 109.4° | 109.5° |
| C42 | C43 | H71 | 109.5° | 109.5° |
| O11 | C42 | H68 | 109.8° | 109.5° |
| C42 | O11 | C55 | 131.2° | 117.1° |
| H69 | C43 | H70 | 109.5° | 109.5° |
| H69 | C43 | H71 | 109.5° | 109.4° |
| H70 | C43 | H71 | 109.5° | 109.5° |
| O12 | C44 | N10 | 122.8° | 120.5° |
| C45 | N10 | H72 | 119.0° | 122.3° |
| N10 | C45 | C46 | 112.2° | 108.5° |
| N10 | C45 | C47 | 110.2° | 109.6° |
| N10 | C45 | H73 | 108.6° | 109.6° |
| C45 | N10 | C44 | 122.0° | 115.4° |
| H72 | N10 | C44 | 119.0° | 122.3° |
| C46 | C45 | C47 | 109.9° | 109.7° |
| C46 | C45 | H73 | 107.8° | 109.6° |
| C45 | C46 | O13 | 120.6° | 120.8° |
| C45 | C46 | N11 | 116.4° | 118.4° |
| C47 | C45 | H73 | 108.0° | 109.8° |
| C45 | C47 | H74 | 109.5° | 109.5° |
| C45 | C47 | H75 | 109.5° | 109.5° |
| C45 | C47 | H76 | 109.5° | 109.5° |
| O13 | C46 | N11 | 123.0° | 120.8° |
| H74 | C47 | H75 | 109.5° | 109.5° |
| H74 | C47 | H76 | 109.5° | 109.4° |
| H75 | C47 | H76 | 109.4° | 109.4° |
| C48 | N11 | H77 | 118.6° | 123.2° |
| N11 | C48 | C49 | 112.5° | 108.1° |
| N11 | C48 | C50 | 110.4° | 109.7° |
| N11 | C48 | H78 | 109.0° | 109.8° |
| C48 | N11 | C46 | 122.8° | 113.6° |
| H77 | N11 | C46 | 118.6° | 123.2° |
| C49 | C48 | C50 | 108.7° | 109.7° |
| C49 | C48 | H78 | 108.2° | 109.7° |
| C48 | C49 | O14 | 120.0° | 120.6° |
| C48 | C49 | N13 | 117.1° | 118.8° |
| C50 | C48 | H78 | 108.0° | 109.7° |
| C48 | C50 | C51 | 116.2° | 109.5° |
| C48 | C50 | H79 | 107.8° | 109.5° |
| C48 | C50 | H80 | 107.8° | 109.5° |
| O14 | C49 | N13 | 122.9° | 120.6° |
| C51 | C50 | H79 | 107.8° | 109.5° |
| C51 | C50 | H80 | 107.8° | 109.5° |
| C50 | C51 | C52 | 114.8° | 109.5° |
| C50 | C51 | H81 | 108.1° | 109.4° |
| C50 | C51 | H82 | 108.1° | 109.5° |
| H79 | C50 | H80 | 109.5° | 109.5° |
| C52 | C51 | H81 | 108.1° | 109.5° |
| C52 | C51 | H82 | 108.1° | 109.5° |
| C51 | C52 | C53 | 110.2° | 109.5° |
| C51 | C52 | H83 | 109.3° | 109.5° |
| C51 | C52 | H84 | 109.3° | 109.5° |
| H81 | C51 | H82 | 109.5° | 109.5° |
| C53 | C52 | H83 | 109.3° | 109.4° |
| C53 | C52 | H84 | 109.3° | 109.4° |
| C52 | C53 | N12 | 112.7° | 109.5° |
| C52 | C53 | H85 | 108.7° | 109.5° |
| C52 | C53 | H86 | 108.7° | 109.4° |
| H83 | C52 | H84 | 109.5° | 109.4° |
| N12 | C53 | H85 | 108.6° | 109.5° |
| N12 | C53 | H86 | 108.7° | 109.5° |
| C53 | N12 | H87 | 109.5° | 109.5° |
| C53 | N12 | H88 | 109.5° | 109.5° |
| C53 | N12 | H89 | 109.5° | 109.5° |
| H85 | C53 | H86 | 109.5° | 109.4° |
| H87 | N12 | H88 | 109.5° | 109.4° |
| H87 | N12 | H89 | 109.5° | 109.5° |
| H88 | N12 | H89 | 109.5° | 109.4° |
| C54 | N13 | H90 | 118.5° | 122.2° |
| N13 | C54 | C55 | 106.8° | 108.5° |
| N13 | C54 | C56 | 110.5° | 109.6° |
| N13 | C54 | H91 | 109.9° | 109.6° |
| C54 | N13 | C49 | 123.1° | 115.6° |
| H90 | N13 | C49 | 118.4° | 122.2° |
| C55 | C54 | C56 | 112.1° | 109.6° |
| C55 | C54 | H91 | 108.9° | 109.7° |
| C54 | C55 | O15 | 120.5° | 120.0° |
| C54 | C55 | O11 | 115.9° | 119.9° |
| C56 | C54 | H91 | 108.6° | 109.8° |
| C54 | C56 | C57 | 109.5° | 109.4° |
| C54 | C56 | C58 | 110.6° | 109.5° |
| C54 | C56 | H92 | 108.6° | 109.5° |
| O15 | C55 | O11 | 123.5° | 120.1° |
| C57 | C56 | C58 | 110.9° | 109.5° |
| C57 | C56 | H92 | 108.6° | 109.5° |
| C56 | C57 | C59 | 114.2° | 109.4° |
| C56 | C57 | H93 | 108.3° | 109.5° |
| C56 | C57 | H94 | 108.3° | 109.5° |
| C58 | C56 | H92 | 108.6° | 109.5° |
| C56 | C58 | H95 | 109.5° | 109.5° |
| C56 | C58 | H96 | 109.5° | 109.5° |
| C56 | C58 | H97 | 109.5° | 109.5° |
| C59 | C57 | H93 | 108.3° | 109.4° |
| C59 | C57 | H94 | 108.3° | 109.5° |
| C57 | C59 | H98 | 109.5° | 109.4° |
| C57 | C59 | H99 | 109.5° | 109.4° |
| C57 | C59 | H100 | 109.5° | 109.5° |
| H93 | C57 | H94 | 109.5° | 109.5° |
| H95 | C58 | H96 | 109.4° | 109.5° |
| H95 | C58 | H97 | 109.5° | 109.5° |
| H96 | C58 | H97 | 109.5° | 109.4° |
| H98 | C59 | H99 | 109.5° | 109.5° |
| H98 | C59 | H100 | 109.5° | 109.5° |
| H99 | C59 | H100 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C10 | H1 | 120.9° | 123.9° |
| N1 | C1 | C2 | C3 | 123.3° | 120.0° |
| N1 | C1 | C2 | H2 | 118.2° | 120.1° |
| N1 | C1 | C3 | H2 | 125.6° | 120.0° |
| N1 | C1 | C2 | O1 | 56.5° | 25.2° |
| N1 | C1 | C3 | C4 | 171.0° | 65.0° |
| N1 | C1 | C3 | H3 | 69.4° | 175.0° |
| N1 | C1 | C3 | H4 | 51.4° | 54.9° |
| C1 | N1 | C10 | H10 | 180.0° | 175.0° |
| C1 | N1 | C10 | H11 | 60.0° | 55.1° |
| C1 | N1 | C10 | H12 | 60.0° | 64.9° |
| N1 | C1 | C2 | N2 | 123.4° | 154.8° |
| C10 | N1 | C1 | C2 | 167.7° | 80.5° |
| C10 | N1 | C1 | C3 | 50.4° | 159.5° |
| C10 | N1 | C1 | H2 | 74.7° | 39.5° |
| N1 | C10 | H10 | H11 | 120.0° | 120.0° |
| N1 | C10 | H10 | H12 | 120.0° | 120.0° |
| N1 | C10 | H11 | H12 | 120.0° | 120.0° |
| H1 | N1 | C1 | C2 | 46.8° | 155.6° |
| H1 | N1 | C1 | C3 | 70.6° | 35.6° |
| H1 | N1 | C1 | H2 | 164.4° | 84.3° |
| H1 | N1 | C10 | H10 | 59.1° | 61.0° |
| H1 | N1 | C10 | H11 | 179.1° | 179.0° |
| H1 | N1 | C10 | H12 | 60.9° | 59.0° |
| C2 | C1 | C3 | H2 | 118.5° | 120.0° |
| C1 | C2 | O1 | N2 | 179.9° | 180.0° |
| C2 | C1 | C3 | C4 | 73.1° | 175.0° |
| C2 | C1 | C3 | H3 | 46.5° | 55.0° |
| C2 | C1 | C3 | H4 | 167.3° | 65.1° |
| C1 | C2 | N2 | C11 | 173.6° | 180.0° |
| C1 | C2 | N2 | H13 | 6.4° | 0.0° |
| C3 | C1 | C2 | O1 | 66.8° | 94.8° |
| C1 | C3 | C4 | H3 | 119.6° | 120.0° |
| C1 | C3 | C4 | H4 | 119.6° | 119.9° |
| C1 | C3 | H3 | H4 | 121.2° | 120.0° |
| C1 | C3 | C4 | C5 | 100.7° | 90.0° |
| C1 | C3 | C4 | C6 | 78.6° | 90.3° |
| C3 | C1 | C2 | N2 | 113.3° | 85.2° |
| H2 | C1 | C2 | O1 | 174.7° | 145.3° |
| H2 | C1 | C3 | C4 | 45.4° | 55.0° |
| H2 | C1 | C3 | H3 | 165.0° | 65.0° |
| H2 | C1 | C3 | H4 | 74.2° | 175.0° |
| H2 | C1 | C2 | N2 | 5.2° | 34.7° |
| O1 | C2 | N2 | C11 | 6.3° | 0.0° |
| O1 | C2 | N2 | H13 | 173.7° | 180.0° |
| C4 | C3 | H3 | H4 | 121.1° | 120.0° |
| C3 | C4 | C5 | C6 | 179.4° | 179.7° |
| C3 | C4 | C5 | C7 | 179.7° | 180.0° |
| C3 | C4 | C5 | H5 | 0.3° | 0.0° |
| C3 | C4 | C6 | C8 | 179.8° | 180.0° |
| C3 | C4 | C6 | H6 | 0.2° | 0.0° |
| H3 | C3 | C4 | C5 | 18.9° | 30.0° |
| H3 | C3 | C4 | C6 | 161.7° | 149.7° |
| H4 | C3 | C4 | C5 | 139.7° | 150.0° |
| H4 | C3 | C4 | C6 | 41.0° | 29.7° |
| C4 | C5 | C7 | H5 | 180.0° | 179.9° |
| C5 | C4 | C6 | C8 | 0.4° | 0.3° |
| C5 | C4 | C6 | H6 | 179.6° | 179.7° |
| C4 | C5 | C7 | C9 | 0.1° | 0.0° |
| C4 | C5 | C7 | H7 | 179.9° | 180.0° |
| C6 | C4 | C5 | C7 | 0.3° | 0.3° |
| C6 | C4 | C5 | H5 | 179.7° | 179.7° |
| C4 | C6 | C8 | H6 | 180.0° | 180.0° |
| C4 | C6 | C8 | C9 | 0.2° | 0.0° |
| C4 | C6 | C8 | H8 | 179.8° | 180.0° |
| C5 | C7 | C9 | H7 | 180.0° | 179.9° |
| C5 | C7 | C9 | C8 | 0.1° | 0.3° |
| C5 | C7 | C9 | H9 | 179.9° | 180.0° |
| H5 | C5 | C7 | C9 | 179.9° | 180.0° |
| H5 | C5 | C7 | H7 | 0.1° | 0.1° |
| C6 | C8 | C9 | C7 | 0.0° | 0.3° |
| C6 | C8 | C9 | H8 | 180.0° | 180.0° |
| C6 | C8 | C9 | H9 | 180.0° | 180.0° |
| H6 | C6 | C8 | C9 | 179.8° | 180.0° |
| H6 | C6 | C8 | H8 | 0.2° | 0.0° |
| C7 | C9 | C8 | H9 | 180.0° | 179.7° |
| C7 | C9 | C8 | H8 | 180.0° | 179.7° |
| H7 | C7 | C9 | C8 | 179.9° | 179.7° |
| H7 | C7 | C9 | H9 | 0.1° | 0.0° |
| H8 | C8 | C9 | H9 | 0.0° | 0.0° |
| H10 | C10 | H11 | H12 | 120.0° | 120.0° |
| C11 | N2 | H13 | C2 | 180.0° | 180.0° |
| N2 | C11 | C12 | C13 | 123.7° | 120.0° |
| N2 | C11 | C12 | H14 | 118.3° | 120.0° |
| N2 | C11 | C13 | H14 | 120.4° | 120.0° |
| N2 | C11 | C12 | O2 | 60.5° | 0.0° |
| N2 | C11 | C13 | C14 | 47.4° | 60.1° |
| N2 | C11 | C13 | C15 | 170.1° | 60.0° |
| N2 | C11 | C13 | H15 | 71.6° | 180.0° |
| N2 | C11 | C12 | N3 | 119.7° | 180.0° |
| H13 | N2 | C11 | C12 | 107.1° | 25.0° |
| H13 | N2 | C11 | C13 | 15.2° | 95.0° |
| H13 | N2 | C11 | H14 | 135.0° | 145.0° |
| C12 | C11 | C13 | H14 | 118.1° | 120.0° |
| C11 | C12 | O2 | N3 | 179.8° | 180.0° |
| C12 | C11 | C13 | C14 | 168.9° | 59.9° |
| C12 | C11 | C13 | C15 | 68.4° | 180.0° |
| C12 | C11 | C13 | H15 | 49.9° | 60.0° |
| C11 | C12 | N3 | C17 | 179.4° | 180.0° |
| C11 | C12 | N3 | H24 | 0.6° | 0.0° |
| C12 | C11 | N2 | C2 | 72.8° | 155.0° |
| C13 | C11 | C12 | O2 | 63.2° | 120.0° |
| C11 | C13 | C14 | C15 | 122.2° | 120.0° |
| C11 | C13 | C14 | H15 | 119.0° | 119.9° |
| C11 | C13 | C15 | H15 | 118.1° | 120.0° |
| C11 | C13 | C14 | C16 | 65.3° | 175.0° |
| C11 | C13 | C14 | H16 | 55.4° | 65.1° |
| C11 | C13 | C14 | H17 | 174.0° | 54.9° |
| C11 | C13 | C15 | H18 | 180.0° | 179.9° |
| C11 | C13 | C15 | H19 | 60.0° | 60.0° |
| C11 | C13 | C15 | H20 | 60.0° | 60.0° |
| C13 | C11 | N2 | C2 | 164.8° | 85.0° |
| C13 | C11 | C12 | N3 | 116.6° | 60.0° |
| H14 | C11 | C12 | O2 | 178.8° | 120.0° |
| H14 | C11 | C13 | C14 | 73.0° | 180.0° |
| H14 | C11 | C13 | C15 | 49.7° | 60.0° |
| H14 | C11 | C13 | H15 | 168.0° | 60.1° |
| H14 | C11 | N2 | C2 | 45.0° | 35.0° |
| H14 | C11 | C12 | N3 | 1.3° | 60.0° |
| O2 | C12 | N3 | C17 | 0.8° | 0.0° |
| O2 | C12 | N3 | H24 | 179.2° | 180.0° |
| C14 | C13 | C15 | H15 | 118.8° | 120.0° |
| C13 | C14 | C16 | H16 | 120.7° | 119.9° |
| C13 | C14 | C16 | H17 | 120.7° | 120.0° |
| C13 | C14 | H16 | H17 | 117.9° | 120.0° |
| C14 | C13 | C15 | H18 | 56.9° | 60.0° |
| C14 | C13 | C15 | H19 | 176.9° | 180.0° |
| C14 | C13 | C15 | H20 | 63.1° | 60.0° |
| C13 | C14 | C16 | H21 | 180.0° | 180.0° |
| C13 | C14 | C16 | H22 | 60.0° | 60.1° |
| C13 | C14 | C16 | H23 | 60.0° | 60.0° |
| C15 | C13 | C14 | C16 | 56.8° | 65.0° |
| C15 | C13 | C14 | H16 | 177.5° | 54.9° |
| C15 | C13 | C14 | H17 | 63.8° | 175.0° |
| C13 | C15 | H18 | H19 | 120.0° | 120.0° |
| C13 | C15 | H18 | H20 | 120.0° | 120.0° |
| C13 | C15 | H19 | H20 | 120.0° | 120.0° |
| H15 | C13 | C14 | C16 | 175.7° | 55.1° |
| H15 | C13 | C14 | H16 | 63.6° | 175.0° |
| H15 | C13 | C14 | H17 | 55.1° | 65.0° |
| H15 | C13 | C15 | H18 | 61.9° | 59.9° |
| H15 | C13 | C15 | H19 | 58.1° | 60.0° |
| H15 | C13 | C15 | H20 | 178.1° | 180.0° |
| C16 | C14 | H16 | H17 | 117.9° | 120.1° |
| C14 | C16 | H21 | H22 | 120.0° | 120.0° |
| C14 | C16 | H21 | H23 | 120.0° | 120.1° |
| C14 | C16 | H22 | H23 | 120.0° | 120.1° |
| H16 | C14 | C16 | H21 | 59.3° | 60.1° |
| H16 | C14 | C16 | H22 | 179.3° | 180.0° |
| H16 | C14 | C16 | H23 | 60.7° | 59.9° |
| H17 | C14 | C16 | H21 | 59.4° | 60.0° |
| H17 | C14 | C16 | H22 | 60.7° | 60.0° |
| H17 | C14 | C16 | H23 | 179.3° | 180.0° |
| H18 | C15 | H19 | H20 | 120.0° | 120.0° |
| H21 | C16 | H22 | H23 | 120.0° | 119.9° |
| C17 | N3 | H24 | C12 | 180.0° | 180.0° |
| N3 | C17 | C18 | C19 | 121.9° | 120.0° |
| N3 | C17 | C18 | H25 | 119.3° | 120.0° |
| N3 | C17 | C19 | H25 | 120.1° | 120.0° |
| N3 | C17 | C18 | O3 | 74.0° | 0.0° |
| N3 | C17 | C19 | O4 | 171.8° | 64.9° |
| N3 | C17 | C19 | H26 | 68.0° | 175.0° |
| N3 | C17 | C19 | H27 | 51.5° | 55.0° |
| N3 | C17 | C18 | N4 | 105.1° | 180.0° |
| H24 | N3 | C17 | C18 | 60.3° | 25.0° |
| H24 | N3 | C17 | C19 | 61.6° | 95.0° |
| H24 | N3 | C17 | H25 | 178.9° | 145.0° |
| C18 | C17 | C19 | H25 | 118.8° | 120.0° |
| C17 | C18 | O3 | N4 | 179.1° | 180.0° |
| C18 | C17 | C19 | O4 | 50.7° | 55.0° |
| C18 | C17 | C19 | H26 | 171.0° | 65.0° |
| C18 | C17 | C19 | H27 | 69.6° | 175.0° |
| C17 | C18 | N4 | C21 | 179.1° | 180.0° |
| C17 | C18 | N4 | C20 | 2.0° | 0.0° |
| C18 | C17 | N3 | C12 | 119.8° | 155.0° |
| C19 | C17 | C18 | O3 | 47.9° | 120.0° |
| C17 | C19 | O4 | H26 | 120.3° | 120.0° |
| C17 | C19 | O4 | H27 | 120.3° | 120.0° |
| C17 | C19 | H26 | H27 | 119.2° | 120.0° |
| C17 | C19 | O4 | H28 | 180.0° | 180.0° |
| C19 | C17 | N3 | C12 | 118.4° | 85.0° |
| C19 | C17 | C18 | N4 | 133.0° | 60.0° |
| H25 | C17 | C18 | O3 | 166.7° | 120.0° |
| H25 | C17 | C19 | O4 | 68.1° | 175.0° |
| H25 | C17 | C19 | H26 | 52.2° | 55.0° |
| H25 | C17 | C19 | H27 | 171.6° | 65.0° |
| H25 | C17 | N3 | C12 | 1.1° | 35.0° |
| H25 | C17 | C18 | N4 | 14.2° | 60.0° |
| O3 | C18 | N4 | C21 | 1.8° | 0.0° |
| O3 | C18 | N4 | C20 | 178.9° | 180.0° |
| O4 | C19 | H26 | H27 | 119.1° | 120.0° |
| H26 | C19 | O4 | H28 | 59.7° | 60.0° |
| H27 | C19 | O4 | H28 | 59.7° | 60.1° |
| C24 | C23 | C22 | H35 | 120.3° | 120.1° |
| C24 | C23 | C22 | H36 | 120.2° | 119.9° |
| C23 | C24 | N5 | O5 | 179.8° | 179.9° |
| C24 | C23 | C22 | C21 | 178.3° | 180.0° |
| C24 | C23 | C22 | H33 | 62.0° | 59.9° |
| C24 | C23 | C22 | H34 | 58.7° | 60.1° |
| C24 | C23 | H35 | H36 | 119.2° | 120.0° |
| C23 | C24 | N5 | H37 | 179.8° | 0.0° |
| C23 | C24 | N5 | H38 | 0.2° | 180.0° |
| C22 | C23 | C24 | N5 | 16.7° | 180.0° |
| C22 | C23 | C24 | O5 | 163.5° | 0.1° |
| C23 | C22 | C21 | H33 | 119.7° | 120.0° |
| C23 | C22 | C21 | H34 | 119.7° | 119.9° |
| C23 | C22 | C21 | C25 | 107.1° | 175.0° |
| C23 | C22 | C21 | N4 | 126.0° | 65.0° |
| C23 | C22 | C21 | H32 | 8.4° | 55.0° |
| C23 | C22 | H33 | H34 | 120.9° | 119.9° |
| C22 | C23 | H35 | H36 | 119.2° | 119.9° |
| N5 | C24 | C23 | H35 | 137.0° | 60.0° |
| N5 | C24 | C23 | H36 | 103.5° | 60.1° |
| C24 | N5 | H37 | H38 | 180.0° | 180.0° |
| O5 | C24 | C23 | H35 | 43.2° | 119.9° |
| O5 | C24 | C23 | H36 | 76.3° | 120.0° |
| O5 | C24 | N5 | H37 | 0.0° | 180.0° |
| O5 | C24 | N5 | H38 | 180.0° | 0.1° |
| C22 | C21 | C25 | N4 | 126.5° | 120.0° |
| C22 | C21 | C25 | H32 | 115.5° | 120.0° |
| C22 | C21 | C25 | O6 | 70.6° | 120.0° |
| C22 | C21 | N4 | H32 | 117.2° | 120.0° |
| C22 | C21 | N4 | C20 | 55.8° | 60.0° |
| C21 | C22 | H33 | H34 | 121.0° | 120.0° |
| C21 | C22 | C23 | H35 | 58.1° | 59.9° |
| C21 | C22 | C23 | H36 | 61.4° | 60.1° |
| C22 | C21 | N4 | C18 | 121.8° | 120.0° |
| C22 | C21 | C25 | N6 | 109.1° | 60.0° |
| C21 | C25 | O6 | N6 | 179.7° | 180.0° |
| C25 | C21 | N4 | H32 | 117.6° | 120.0° |
| C25 | C21 | N4 | C20 | 69.4° | 60.0° |
| C25 | C21 | C22 | H33 | 133.3° | 55.0° |
| C25 | C21 | C22 | H34 | 12.6° | 65.1° |
| C21 | C25 | N6 | C26 | 177.0° | 180.0° |
| C21 | C25 | N6 | H39 | 3.0° | 0.0° |
| C25 | C21 | N4 | C18 | 113.0° | 120.0° |
| O6 | C25 | C21 | N4 | 55.8° | 0.0° |
| O6 | C25 | C21 | H32 | 173.9° | 120.0° |
| O6 | C25 | N6 | C26 | 2.7° | 0.0° |
| O6 | C25 | N6 | H39 | 177.3° | 180.0° |
| C21 | N4 | C20 | C18 | 177.3° | 180.0° |
| C21 | N4 | C20 | H29 | 180.0° | 90.0° |
| C21 | N4 | C20 | H30 | 60.0° | 29.9° |
| C21 | N4 | C20 | H31 | 60.0° | 150.0° |
| N4 | C21 | C22 | H33 | 6.4° | 175.0° |
| N4 | C21 | C22 | H34 | 114.3° | 55.0° |
| N4 | C21 | C25 | N6 | 124.4° | 180.0° |
| N4 | C20 | H29 | H30 | 120.0° | 120.0° |
| N4 | C20 | H29 | H31 | 120.0° | 119.9° |
| N4 | C20 | H30 | H31 | 120.0° | 120.0° |
| C20 | N4 | C21 | H32 | 173.0° | 180.0° |
| H29 | C20 | H30 | H31 | 120.0° | 120.0° |
| H29 | C20 | N4 | C18 | 2.7° | 90.0° |
| H30 | C20 | N4 | C18 | 117.3° | 150.0° |
| H31 | C20 | N4 | C18 | 122.7° | 30.0° |
| H32 | C21 | C22 | H33 | 111.3° | 65.0° |
| H32 | C21 | C22 | H34 | 128.1° | 174.9° |
| H32 | C21 | N4 | C18 | 4.6° | 0.0° |
| H32 | C21 | C25 | N6 | 6.4° | 60.0° |
| H33 | C22 | C23 | H35 | 177.8° | NaN° |
| H33 | C22 | C23 | H36 | 58.3° | 60.0° |
| H34 | C22 | C23 | H35 | 61.6° | 60.0° |
| H34 | C22 | C23 | H36 | 178.9° | 180.0° |
| C28 | C27 | C29 | C26 | 121.5° | 120.0° |
| C28 | C27 | C29 | H41 | 118.2° | 120.0° |
| C28 | C27 | C26 | H41 | 118.8° | 120.0° |
| C28 | C27 | C29 | C30 | 69.4° | 174.6° |
| C28 | C27 | C26 | N6 | 56.8° | 53.3° |
| C28 | C27 | C26 | C31 | 59.9° | 66.7° |
| C28 | C27 | C26 | H40 | 179.9° | 173.3° |
| C27 | C28 | H42 | H43 | 120.0° | 120.0° |
| C27 | C28 | H42 | H44 | 120.0° | 120.0° |
| C27 | C28 | H43 | H44 | 120.0° | 120.0° |
| C28 | C27 | C29 | H45 | 51.0° | 54.5° |
| C28 | C27 | C29 | H46 | 170.3° | 65.5° |
| C29 | C27 | C26 | H41 | 120.4° | 120.0° |
| C27 | C29 | C30 | H45 | 120.3° | 120.0° |
| C27 | C29 | C30 | H46 | 120.4° | 120.0° |
| C29 | C27 | C26 | N6 | 64.0° | 66.7° |
| C29 | C27 | C26 | C31 | 179.3° | 173.3° |
| C29 | C27 | C26 | H40 | 59.3° | 53.3° |
| C29 | C27 | C28 | H42 | 180.0° | 64.9° |
| C29 | C27 | C28 | H43 | 60.0° | 175.1° |
| C29 | C27 | C28 | H44 | 60.0° | 55.1° |
| C27 | C29 | H45 | H46 | 119.0° | 120.0° |
| C27 | C29 | C30 | H47 | 180.0° | 174.9° |
| C27 | C29 | C30 | H48 | 60.0° | 54.9° |
| C27 | C29 | C30 | H49 | 60.0° | 65.1° |
| C26 | C27 | C29 | C30 | 169.2° | 65.4° |
| C27 | C26 | N6 | C31 | 117.2° | 120.0° |
| C27 | C26 | N6 | H40 | 122.6° | 120.0° |
| C27 | C26 | C31 | H40 | 120.0° | 120.0° |
| C27 | C26 | C31 | O7 | 111.4° | 121.6° |
| C27 | C26 | N6 | H39 | 56.4° | 95.0° |
| C26 | C27 | C28 | H42 | 56.9° | 175.0° |
| C26 | C27 | C28 | H43 | 63.1° | 55.1° |
| C26 | C27 | C28 | H44 | 176.9° | 64.9° |
| C26 | C27 | C29 | H45 | 70.5° | 174.6° |
| C26 | C27 | C29 | H46 | 48.8° | 54.6° |
| C27 | C26 | N6 | C25 | 123.6° | 85.0° |
| C27 | C26 | C31 | N7 | 68.2° | 58.4° |
| C30 | C29 | C27 | H41 | 48.8° | 54.6° |
| C30 | C29 | H45 | H46 | 119.0° | 120.0° |
| C29 | C30 | H47 | H48 | 120.0° | 120.0° |
| C29 | C30 | H47 | H49 | 120.0° | 120.0° |
| C29 | C30 | H48 | H49 | 120.0° | 120.0° |
| N6 | C26 | C31 | H40 | 120.8° | 120.0° |
| N6 | C26 | C31 | O7 | 7.7° | 1.6° |
| C26 | N6 | H39 | C25 | 180.0° | 180.0° |
| N6 | C26 | C27 | H41 | 175.6° | 173.3° |
| N6 | C26 | C31 | N7 | 172.6° | 178.4° |
| C26 | C31 | O7 | N7 | 179.6° | 180.0° |
| C31 | C26 | N6 | H39 | 60.8° | 25.0° |
| C31 | C26 | C27 | H41 | 58.9° | 53.3° |
| C26 | C31 | N7 | C32 | 175.0° | 175.9° |
| C26 | C31 | N7 | H50 | 5.0° | 4.1° |
| C31 | C26 | N6 | C25 | 119.2° | 155.0° |
| O7 | C31 | C26 | H40 | 128.5° | 118.4° |
| O7 | C31 | N7 | C32 | 4.7° | 4.0° |
| O7 | C31 | N7 | H50 | 175.3° | 175.9° |
| H39 | N6 | C26 | H40 | 179.1° | 145.0° |
| H40 | C26 | C27 | H41 | 61.1° | 66.7° |
| H40 | C26 | N6 | C25 | 1.0° | 35.0° |
| H40 | C26 | C31 | N7 | 51.8° | 61.6° |
| H41 | C27 | C28 | H42 | 61.8° | 55.0° |
| H41 | C27 | C28 | H43 | 178.2° | 64.9° |
| H41 | C27 | C28 | H44 | 58.2° | 175.1° |
| H41 | C27 | C29 | H45 | 169.2° | 65.4° |
| H41 | C27 | C29 | H46 | 71.5° | 174.6° |
| H42 | C28 | H43 | H44 | 120.0° | 120.0° |
| H45 | C29 | C30 | H47 | 59.7° | 65.0° |
| H45 | C29 | C30 | H48 | 179.7° | 175.0° |
| H45 | C29 | C30 | H49 | 60.3° | 55.0° |
| H46 | C29 | C30 | H47 | 59.7° | 54.9° |
| H46 | C29 | C30 | H48 | 60.4° | 65.1° |
| H46 | C29 | C30 | H49 | 179.7° | 174.9° |
| H47 | C30 | H48 | H49 | 120.0° | 120.0° |
| C32 | N7 | H50 | C31 | 180.0° | 179.9° |
| N7 | C32 | C33 | C34 | 124.6° | 120.0° |
| N7 | C32 | C33 | H51 | 118.6° | 120.1° |
| N7 | C32 | C34 | H51 | 118.4° | 120.0° |
| N7 | C32 | C33 | O8 | 23.6° | 4.2° |
| N7 | C32 | C34 | C35 | 73.9° | 52.6° |
| N7 | C32 | C34 | C36 | 50.1° | 67.4° |
| N7 | C32 | C34 | H52 | 167.8° | 172.6° |
| N7 | C32 | C33 | N8 | 156.5° | 175.8° |
| H50 | N7 | C32 | C33 | 65.4° | 30.7° |
| H50 | N7 | C32 | C34 | 58.8° | 89.3° |
| H50 | N7 | C32 | H51 | 176.5° | 150.7° |
| C33 | C32 | C34 | H51 | 117.0° | 120.0° |
| C32 | C33 | O8 | N8 | 179.9° | 180.0° |
| C33 | C32 | C34 | C35 | 50.7° | 67.4° |
| C33 | C32 | C34 | C36 | 174.7° | 172.6° |
| C33 | C32 | C34 | H52 | 67.6° | 52.6° |
| C32 | C33 | N8 | C38 | 178.9° | 175.0° |
| C32 | C33 | N8 | H61 | 1.1° | 5.0° |
| C33 | C32 | N7 | C31 | 114.7° | 149.2° |
| C34 | C32 | C33 | O8 | 101.0° | 124.2° |
| C32 | C34 | C35 | C36 | 123.8° | 119.9° |
| C32 | C34 | C35 | H52 | 118.1° | 120.0° |
| C32 | C34 | C36 | H52 | 117.5° | 120.0° |
| C32 | C34 | C35 | C37 | 174.9° | 68.7° |
| C32 | C34 | C35 | H53 | 64.5° | 171.3° |
| C32 | C34 | C35 | H54 | 54.2° | 51.4° |
| C32 | C34 | C36 | H55 | 180.0° | 55.0° |
| C32 | C34 | C36 | H56 | 60.0° | 175.1° |
| C32 | C34 | C36 | H57 | 60.0° | 65.0° |
| C34 | C32 | N7 | C31 | 121.2° | 90.8° |
| C34 | C32 | C33 | N8 | 78.9° | 55.8° |
| H51 | C32 | C33 | O8 | 142.2° | 115.9° |
| H51 | C32 | C34 | C35 | 167.7° | 172.6° |
| H51 | C32 | C34 | C36 | 68.4° | 52.6° |
| H51 | C32 | C34 | H52 | 49.4° | 67.4° |
| H51 | C32 | N7 | C31 | 3.5° | 29.2° |
| H51 | C32 | C33 | N8 | 37.8° | 64.1° |
| O8 | C33 | N8 | C38 | 1.0° | 5.0° |
| O8 | C33 | N8 | H61 | 179.0° | 175.0° |
| C35 | C34 | C36 | H52 | 118.1° | 120.0° |
| C34 | C35 | C37 | H53 | 120.6° | 119.9° |
| C34 | C35 | C37 | H54 | 120.6° | 120.0° |
| C34 | C35 | H53 | H54 | 118.0° | 119.9° |
| C35 | C34 | C36 | H55 | 55.7° | 64.9° |
| C35 | C34 | C36 | H56 | 175.6° | 55.2° |
| C35 | C34 | C36 | H57 | 64.4° | 175.1° |
| C34 | C35 | C37 | H58 | 180.0° | 169.5° |
| C34 | C35 | C37 | H59 | 60.0° | 70.6° |
| C34 | C35 | C37 | H60 | 60.0° | 49.4° |
| C36 | C34 | C35 | C37 | 61.4° | 171.4° |
| C36 | C34 | C35 | H53 | 59.3° | 51.4° |
| C36 | C34 | C35 | H54 | 178.0° | 68.5° |
| C34 | C36 | H55 | H56 | 120.0° | 120.1° |
| C34 | C36 | H55 | H57 | 120.0° | 120.0° |
| C34 | C36 | H56 | H57 | 120.0° | 119.9° |
| H52 | C34 | C35 | C37 | 56.7° | 51.3° |
| H52 | C34 | C35 | H53 | 177.4° | 68.7° |
| H52 | C34 | C35 | H54 | 63.9° | 171.4° |
| H52 | C34 | C36 | H55 | 62.4° | 175.1° |
| H52 | C34 | C36 | H56 | 57.5° | 64.9° |
| H52 | C34 | C36 | H57 | 177.5° | 55.0° |
| C37 | C35 | H53 | H54 | 118.0° | 120.1° |
| C35 | C37 | H58 | H59 | 120.0° | 119.9° |
| C35 | C37 | H58 | H60 | 120.0° | 120.1° |
| C35 | C37 | H59 | H60 | 120.0° | 120.0° |
| H53 | C35 | C37 | H58 | 59.3° | 49.6° |
| H53 | C35 | C37 | H59 | 179.4° | 169.5° |
| H53 | C35 | C37 | H60 | 60.6° | 70.5° |
| H54 | C35 | C37 | H58 | 59.4° | 70.5° |
| H54 | C35 | C37 | H59 | 60.6° | 49.5° |
| H54 | C35 | C37 | H60 | 179.4° | 169.4° |
| H55 | C36 | H56 | H57 | 120.0° | 120.0° |
| H58 | C37 | H59 | H60 | 120.0° | 120.0° |
| C38 | N8 | H61 | C33 | 180.0° | 180.0° |
| N8 | C38 | C39 | C40 | 122.6° | 120.0° |
| N8 | C38 | C39 | H62 | 119.8° | 120.0° |
| N8 | C38 | C40 | H62 | 119.4° | 120.0° |
| N8 | C38 | C39 | O9 | 154.5° | 0.0° |
| N8 | C38 | C40 | O10 | 76.6° | 65.1° |
| N8 | C38 | C40 | H63 | 163.2° | 175.0° |
| N8 | C38 | C40 | H64 | 43.6° | 55.0° |
| N8 | C38 | C39 | N9 | 26.0° | 180.0° |
| H61 | N8 | C38 | C39 | 45.1° | 25.0° |
| H61 | N8 | C38 | C40 | 76.8° | 95.0° |
| H61 | N8 | C38 | H62 | 164.4° | 145.0° |
| C39 | C38 | C40 | H62 | 117.7° | 120.0° |
| C38 | C39 | O9 | N9 | 179.5° | 180.0° |
| C39 | C38 | C40 | O10 | 46.3° | 55.0° |
| C39 | C38 | C40 | H63 | 73.9° | 65.0° |
| C39 | C38 | C40 | H64 | 166.5° | 175.0° |
| C38 | C39 | N9 | C41 | 173.9° | 180.0° |
| C38 | C39 | N9 | H66 | 6.1° | 0.0° |
| C39 | C38 | N8 | C33 | 134.9° | 155.0° |
| C40 | C38 | C39 | O9 | 82.9° | 120.0° |
| C38 | C40 | O10 | H63 | 120.2° | 120.0° |
| C38 | C40 | O10 | H64 | 120.2° | 120.1° |
| C38 | C40 | H63 | H64 | 119.3° | 120.1° |
| C38 | C40 | O10 | H65 | 180.0° | 180.0° |
| C40 | C38 | N8 | C33 | 103.2° | 85.0° |
| C40 | C38 | C39 | N9 | 96.6° | 60.0° |
| H62 | C38 | C39 | O9 | 34.7° | 120.0° |
| H62 | C38 | C40 | O10 | 164.0° | 175.0° |
| H62 | C38 | C40 | H63 | 43.8° | 55.0° |
| H62 | C38 | C40 | H64 | 75.8° | 65.0° |
| H62 | C38 | N8 | C33 | 15.7° | 35.0° |
| H62 | C38 | C39 | N9 | 145.8° | 60.0° |
| O9 | C39 | N9 | C41 | 5.6° | 0.0° |
| O9 | C39 | N9 | H66 | 174.4° | 180.0° |
| O10 | C40 | H63 | H64 | 119.4° | 120.0° |
| H63 | C40 | O10 | H65 | 59.8° | 60.1° |
| H64 | C40 | O10 | H65 | 59.8° | 59.9° |
| C41 | N9 | H66 | C39 | 180.0° | 179.9° |
| N9 | C41 | C42 | C44 | 123.6° | 120.0° |
| N9 | C41 | C42 | H67 | 119.4° | 120.0° |
| N9 | C41 | C44 | H67 | 118.4° | 120.1° |
| N9 | C41 | C42 | C43 | 57.0° | 4.8° |
| N9 | C41 | C42 | O11 | 63.8° | 115.2° |
| N9 | C41 | C42 | H68 | 176.1° | 124.8° |
| N9 | C41 | C44 | O12 | 159.9° | 134.9° |
| N9 | C41 | C44 | N10 | 21.1° | 45.1° |
| H66 | N9 | C41 | C42 | 56.5° | 65.2° |
| H66 | N9 | C41 | C44 | 66.8° | 54.7° |
| H66 | N9 | C41 | H67 | 175.3° | 174.8° |
| C42 | C41 | C44 | H67 | 116.8° | 120.0° |
| C41 | C42 | C43 | O11 | 121.6° | 119.8° |
| C41 | C42 | C43 | H68 | 118.8° | 120.0° |
| C41 | C42 | O11 | H68 | 119.3° | 119.9° |
| C41 | C42 | C43 | H69 | 180.0° | 64.6° |
| C41 | C42 | C43 | H70 | 60.0° | 175.4° |
| C41 | C42 | C43 | H71 | 60.0° | 55.4° |
| C42 | C41 | C44 | O12 | 35.1° | 15.0° |
| C42 | C41 | N9 | C39 | 123.5° | 114.9° |
| C42 | C41 | C44 | N10 | 145.9° | 165.0° |
| C41 | C42 | O11 | C55 | 149.8° | 115.3° |
| C44 | C41 | C42 | C43 | 179.4° | 124.7° |
| C44 | C41 | C42 | O11 | 59.9° | 4.8° |
| C44 | C41 | C42 | H68 | 60.3° | 115.2° |
| C41 | C44 | O12 | N10 | 178.9° | 180.0° |
| C41 | C44 | N10 | C45 | 179.7° | 180.0° |
| C41 | C44 | N10 | H72 | 0.3° | 0.0° |
| C44 | C41 | N9 | C39 | 113.2° | 125.3° |
| H67 | C41 | C42 | C43 | 62.4° | 115.3° |
| H67 | C41 | C42 | O11 | 176.8° | 124.8° |
| H67 | C41 | C42 | H68 | 56.7° | 4.8° |
| H67 | C41 | C44 | O12 | 81.7° | 105.0° |
| H67 | C41 | N9 | C39 | 4.7° | 5.1° |
| H67 | C41 | C44 | N10 | 97.3° | 75.0° |
| C43 | C42 | O11 | H68 | 118.9° | 120.1° |
| C42 | C43 | H69 | H70 | 120.0° | 120.0° |
| C42 | C43 | H69 | H71 | 120.0° | 120.0° |
| C42 | C43 | H70 | H71 | 120.0° | 120.0° |
| C43 | C42 | O11 | C55 | 88.4° | 124.7° |
| O11 | C42 | C43 | H69 | 58.4° | 175.6° |
| O11 | C42 | C43 | H70 | 61.6° | 55.6° |
| O11 | C42 | C43 | H71 | 178.4° | 64.4° |
| C42 | O11 | C55 | C54 | 172.7° | 178.5° |
| C42 | O11 | C55 | O15 | 9.7° | 1.6° |
| H68 | C42 | C43 | H69 | 61.2° | 55.5° |
| H68 | C42 | C43 | H70 | 178.8° | 64.5° |
| H68 | C42 | C43 | H71 | 58.9° | 175.4° |
| H68 | C42 | O11 | C55 | 30.6° | 4.6° |
| H69 | C43 | H70 | H71 | 120.0° | 119.9° |
| O12 | C44 | N10 | C45 | 0.8° | 0.0° |
| O12 | C44 | N10 | H72 | 179.2° | 180.0° |
| C45 | N10 | H72 | C44 | 180.0° | 179.9° |
| N10 | C45 | C46 | C47 | 123.0° | 119.7° |
| N10 | C45 | C46 | H73 | 119.6° | 119.6° |
| N10 | C45 | C47 | H73 | 118.5° | 120.5° |
| N10 | C45 | C46 | O13 | 134.0° | 44.3° |
| N10 | C45 | C47 | H74 | 180.0° | 60.0° |
| N10 | C45 | C47 | H75 | 60.0° | 180.0° |
| N10 | C45 | C47 | H76 | 60.0° | 60.0° |
| N10 | C45 | C46 | N11 | 47.0° | 135.7° |
| H72 | N10 | C45 | C46 | 123.6° | 175.4° |
| H72 | N10 | C45 | C47 | 0.8° | 64.9° |
| H72 | N10 | C45 | H73 | 117.3° | 55.7° |
| C46 | C45 | C47 | H73 | 117.4° | 120.5° |
| C45 | C46 | O13 | N11 | 178.8° | 180.0° |
| C46 | C45 | C47 | H74 | 55.8° | 59.0° |
| C46 | C45 | C47 | H75 | 175.8° | 61.0° |
| C46 | C45 | C47 | H76 | 64.2° | 179.0° |
| C45 | C46 | N11 | C48 | 175.7° | 178.8° |
| C45 | C46 | N11 | H77 | 4.3° | 1.3° |
| C46 | C45 | N10 | C44 | 56.4° | 4.6° |
| C47 | C45 | C46 | O13 | 103.0° | 164.0° |
| C45 | C47 | H74 | H75 | 120.0° | 120.0° |
| C45 | C47 | H74 | H76 | 120.0° | 120.1° |
| C45 | C47 | H75 | H76 | 120.0° | 120.1° |
| C47 | C45 | N10 | C44 | 179.2° | 115.2° |
| C47 | C45 | C46 | N11 | 76.0° | 16.0° |
| H73 | C45 | C46 | O13 | 14.5° | 75.3° |
| H73 | C45 | C47 | H74 | 61.5° | 179.5° |
| H73 | C45 | C47 | H75 | 58.5° | 59.5° |
| H73 | C45 | C47 | H76 | 178.5° | 60.5° |
| H73 | C45 | N10 | C44 | 62.7° | 124.2° |
| H73 | C45 | C46 | N11 | 166.6° | 104.7° |
| O13 | C46 | N11 | C48 | 5.4° | 1.1° |
| O13 | C46 | N11 | H77 | 174.6° | 178.7° |
| H74 | C47 | H75 | H76 | 120.0° | 119.9° |
| C48 | N11 | H77 | C46 | 180.0° | 179.9° |
| N11 | C48 | C49 | C50 | 122.6° | 119.6° |
| N11 | C48 | C49 | H78 | 120.4° | 119.7° |
| N11 | C48 | C50 | H78 | 119.0° | 120.7° |
| N11 | C48 | C49 | O14 | 135.8° | 79.2° |
| N11 | C48 | C50 | C51 | 51.6° | 65.0° |
| N11 | C48 | C50 | H79 | 69.4° | 55.0° |
| N11 | C48 | C50 | H80 | 172.6° | 175.0° |
| N11 | C48 | C49 | N13 | 43.8° | 100.8° |
| H77 | N11 | C48 | C49 | 74.3° | 120.0° |
| H77 | N11 | C48 | C50 | 47.2° | 0.4° |
| H77 | N11 | C48 | H78 | 165.6° | 120.3° |
| C49 | C48 | C50 | H78 | 117.1° | 120.7° |
| C48 | C49 | O14 | N13 | 179.6° | 180.0° |
| C49 | C48 | C50 | C51 | 175.4° | 176.4° |
| C49 | C48 | C50 | H79 | 54.5° | 63.6° |
| C49 | C48 | C50 | H80 | 63.6° | 56.4° |
| C48 | C49 | N13 | C54 | 178.0° | 178.5° |
| C48 | C49 | N13 | H90 | 2.0° | 1.4° |
| C49 | C48 | N11 | C46 | 105.7° | 60.1° |
| C50 | C48 | C49 | O14 | 101.6° | 40.4° |
| C48 | C50 | C51 | H79 | 121.0° | 120.0° |
| C48 | C50 | C51 | H80 | 121.0° | 120.0° |
| C48 | C50 | H79 | H80 | 117.0° | 120.0° |
| C48 | C50 | C51 | C52 | 44.3° | 180.0° |
| C48 | C50 | C51 | H81 | 76.5° | 60.0° |
| C48 | C50 | C51 | H82 | 165.1° | 60.0° |
| C50 | C48 | N11 | C46 | 132.8° | 179.7° |
| C50 | C48 | C49 | N13 | 78.8° | 139.6° |
| H78 | C48 | C49 | O14 | 15.4° | 161.1° |
| H78 | C48 | C50 | C51 | 67.4° | 55.7° |
| H78 | C48 | C50 | H79 | 171.6° | 175.7° |
| H78 | C48 | C50 | H80 | 53.6° | 64.3° |
| H78 | C48 | N11 | C46 | 14.4° | 59.6° |
| H78 | C48 | C49 | N13 | 164.2° | 18.9° |
| O14 | C49 | N13 | C54 | 1.6° | 1.5° |
| O14 | C49 | N13 | H90 | 178.4° | 178.6° |
| C51 | C50 | H79 | H80 | 116.9° | 120.0° |
| C50 | C51 | C52 | H81 | 120.8° | 119.9° |
| C50 | C51 | C52 | H82 | 120.8° | 120.0° |
| C50 | C51 | H81 | H82 | 117.5° | 120.0° |
| C50 | C51 | C52 | C53 | 149.1° | 180.0° |
| C50 | C51 | C52 | H83 | 90.8° | 60.0° |
| C50 | C51 | C52 | H84 | 28.9° | 60.0° |
| H79 | C50 | C51 | C52 | 165.3° | 60.0° |
| H79 | C50 | C51 | H81 | 44.5° | 180.0° |
| H79 | C50 | C51 | H82 | 73.9° | 60.0° |
| H80 | C50 | C51 | C52 | 76.7° | 60.0° |
| H80 | C50 | C51 | H81 | 162.5° | 60.0° |
| H80 | C50 | C51 | H82 | 44.1° | 180.0° |
| C52 | C51 | H81 | H82 | 117.6° | 120.1° |
| C51 | C52 | C53 | H83 | 120.1° | 120.1° |
| C51 | C52 | C53 | H84 | 120.1° | 120.0° |
| C51 | C52 | H83 | H84 | 119.7° | 120.1° |
| C51 | C52 | C53 | N12 | 176.6° | 180.0° |
| C51 | C52 | C53 | H85 | 62.9° | 60.0° |
| C51 | C52 | C53 | H86 | 56.1° | 60.0° |
| H81 | C51 | C52 | C53 | 28.3° | 60.0° |
| H81 | C51 | C52 | H83 | 148.4° | 179.9° |
| H81 | C51 | C52 | H84 | 91.9° | 59.9° |
| H82 | C51 | C52 | C53 | 90.2° | 60.0° |
| H82 | C51 | C52 | H83 | 29.9° | 60.0° |
| H82 | C51 | C52 | H84 | 149.7° | 180.0° |
| C53 | C52 | H83 | H84 | 119.7° | 119.9° |
| C52 | C53 | N12 | H85 | 120.5° | 120.0° |
| C52 | C53 | N12 | H86 | 120.5° | 120.0° |
| C52 | C53 | H85 | H86 | 118.5° | 120.0° |
| C52 | C53 | N12 | H87 | 180.0° | 180.0° |
| C52 | C53 | N12 | H88 | 60.0° | 60.0° |
| C52 | C53 | N12 | H89 | 60.0° | 60.0° |
| H83 | C52 | C53 | N12 | 56.5° | 59.9° |
| H83 | C52 | C53 | H85 | 177.0° | 180.0° |
| H83 | C52 | C53 | H86 | 64.0° | 60.1° |
| H84 | C52 | C53 | N12 | 63.2° | 60.0° |
| H84 | C52 | C53 | H85 | 57.2° | 60.0° |
| H84 | C52 | C53 | H86 | 176.3° | 180.0° |
| N12 | C53 | H85 | H86 | 118.5° | 120.0° |
| C53 | N12 | H87 | H88 | 120.0° | 120.0° |
| C53 | N12 | H87 | H89 | 120.0° | 120.1° |
| C53 | N12 | H88 | H89 | 120.0° | 120.0° |
| H85 | C53 | N12 | H87 | 59.5° | 60.0° |
| H85 | C53 | N12 | H88 | 179.5° | 180.0° |
| H85 | C53 | N12 | H89 | 60.5° | 60.1° |
| H86 | C53 | N12 | H87 | 59.5° | 60.0° |
| H86 | C53 | N12 | H88 | 60.5° | 60.0° |
| H86 | C53 | N12 | H89 | 179.5° | 180.0° |
| H87 | N12 | H88 | H89 | 120.0° | 120.0° |
| C54 | N13 | H90 | C49 | 180.0° | 180.0° |
| N13 | C54 | C55 | C56 | 121.2° | 119.6° |
| N13 | C54 | C55 | H91 | 118.6° | 119.7° |
| N13 | C54 | C56 | H91 | 120.7° | 120.5° |
| N13 | C54 | C55 | O15 | 137.7° | 106.0° |
| N13 | C54 | C56 | C57 | 64.9° | 61.0° |
| N13 | C54 | C56 | C58 | 172.6° | 179.0° |
| N13 | C54 | C56 | H92 | 53.5° | 59.0° |
| N13 | C54 | C55 | O11 | 44.7° | 74.1° |
| H90 | N13 | C54 | C55 | 76.1° | 73.0° |
| H90 | N13 | C54 | C56 | 46.0° | 167.3° |
| H90 | N13 | C54 | H91 | 165.9° | 46.7° |
| C55 | C54 | C56 | H91 | 120.4° | 120.6° |
| C54 | C55 | O15 | O11 | 177.5° | 179.9° |
| C55 | C54 | C56 | C57 | 176.2° | 179.9° |
| C55 | C54 | C56 | C58 | 53.6° | 60.1° |
| C55 | C54 | C56 | H92 | 65.4° | 59.9° |
| C55 | C54 | N13 | C49 | 103.9° | 106.9° |
| C56 | C54 | C55 | O15 | 101.2° | 134.3° |
| C54 | C56 | C57 | C58 | 122.4° | 120.0° |
| C54 | C56 | C57 | H92 | 118.4° | 120.0° |
| C54 | C56 | C58 | H92 | 119.0° | 120.0° |
| C54 | C56 | C57 | C59 | 170.3° | 172.4° |
| C54 | C56 | C57 | H93 | 69.0° | 67.7° |
| C54 | C56 | C57 | H94 | 49.6° | 52.4° |
| C54 | C56 | C58 | H95 | 180.0° | 175.3° |
| C54 | C56 | C58 | H96 | 60.0° | 64.7° |
| C54 | C56 | C58 | H97 | 60.0° | 55.2° |
| C56 | C54 | C55 | O11 | 76.5° | 45.6° |
| C56 | C54 | N13 | C49 | 134.0° | 12.7° |
| H91 | C54 | C55 | O15 | 19.1° | 13.7° |
| H91 | C54 | C56 | C57 | 55.8° | 59.5° |
| H91 | C54 | C56 | C58 | 66.8° | 60.5° |
| H91 | C54 | C56 | H92 | 174.2° | 179.5° |
| H91 | C54 | C55 | O11 | 163.3° | 166.2° |
| H91 | C54 | N13 | C49 | 14.1° | 133.3° |
| C57 | C56 | C58 | H92 | 119.3° | 120.0° |
| C56 | C57 | C59 | H93 | 120.7° | 119.9° |
| C56 | C57 | C59 | H94 | 120.7° | 120.0° |
| C56 | C57 | H93 | H94 | 117.8° | 120.1° |
| C57 | C56 | C58 | H95 | 58.3° | 55.3° |
| C57 | C56 | C58 | H96 | 178.3° | 175.3° |
| C57 | C56 | C58 | H97 | 61.7° | 64.7° |
| C56 | C57 | C59 | H98 | 180.0° | 180.0° |
| C56 | C57 | C59 | H99 | 60.0° | 60.0° |
| C56 | C57 | C59 | H100 | 60.0° | 60.0° |
| C58 | C56 | C57 | C59 | 67.4° | 67.6° |
| C58 | C56 | C57 | H93 | 53.4° | 52.3° |
| C58 | C56 | C57 | H94 | 171.9° | 172.3° |
| C56 | C58 | H95 | H96 | 120.0° | 120.0° |
| C56 | C58 | H95 | H97 | 120.0° | 120.1° |
| C56 | C58 | H96 | H97 | 120.0° | 120.0° |
| H92 | C56 | C57 | C59 | 51.9° | 52.4° |
| H92 | C56 | C57 | H93 | 172.6° | 172.3° |
| H92 | C56 | C57 | H94 | 68.8° | 67.6° |
| H92 | C56 | C58 | H95 | 60.9° | 64.7° |
| H92 | C56 | C58 | H96 | 59.0° | 55.3° |
| H92 | C56 | C58 | H97 | 179.0° | 175.3° |
| C59 | C57 | H93 | H94 | 117.9° | 120.0° |
| C57 | C59 | H98 | H99 | 120.0° | 120.0° |
| C57 | C59 | H98 | H100 | 120.0° | 120.0° |
| C57 | C59 | H99 | H100 | 120.0° | 120.0° |
| H93 | C57 | C59 | H98 | 59.3° | 60.0° |
| H93 | C57 | C59 | H99 | 179.3° | 180.0° |
| H93 | C57 | C59 | H100 | 60.7° | 59.9° |
| H94 | C57 | C59 | H98 | 59.3° | 60.0° |
| H94 | C57 | C59 | H99 | 60.7° | 60.0° |
| H94 | C57 | C59 | H100 | 179.3° | 179.9° |
| H95 | C58 | H96 | H97 | 120.0° | 120.0° |
| H98 | C59 | H99 | H100 | 120.0° | 120.0° |
