PRD_002311
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.20Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.46Å | 1.46Å | |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | C8 | sing | 1.51Å | 1.52Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | O2 | doub | 1.21Å | 1.22Å | |
| C9 | O3 | doub | 1.21Å | 1.22Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| N2 | C10 | sing | 1.47Å | 1.47Å | |
| N2 | C12 | sing | 1.47Å | 1.50Å | |
| C10 | C11 | sing | 1.54Å | 1.54Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | C14 | sing | 1.55Å | 1.55Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | C14 | sing | 1.55Å | 1.53Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C16 | sing | 1.46Å | 1.47Å | |
| O4 | C15 | doub | 1.21Å | 1.23Å | |
| O5 | C17 | sing | 1.45Å | 1.43Å | |
| C16 | C15 | sing | 1.50Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| N4 | C20 | sing | 1.48Å | 1.46Å | |
| N4 | H32 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | O6 | doub | 1.21Å | 1.23Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | O7 | doub | 1.21Å | 1.21Å | |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| N5 | C27 | sing | 1.46Å | 1.47Å | |
| N5 | C29 | sing | 1.46Å | 1.49Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | C31 | sing | 1.54Å | 1.56Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C28 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| N6 | C32 | sing | 1.48Å | 1.46Å | |
| N6 | H52 | sing | 0.97Å | 1.00Å | |
| C32 | C33 | sing | 1.51Å | 1.52Å | |
| C32 | C34 | sing | 1.53Å | 1.54Å | |
| C32 | H53 | sing | 1.09Å | 1.10Å | |
| C33 | O8 | doub | 1.21Å | 1.23Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | H54 | sing | 1.09Å | 1.10Å | |
| C34 | H55 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.50Å | |
| C35 | C37 | sing | 1.53Å | 1.53Å | |
| C35 | H56 | sing | 1.09Å | 1.10Å | |
| C36 | H57 | sing | 1.09Å | 1.10Å | |
| C36 | H58 | sing | 1.09Å | 1.10Å | |
| C36 | H59 | sing | 1.09Å | 1.10Å | |
| C37 | H60 | sing | 1.09Å | 1.10Å | |
| C37 | H61 | sing | 1.09Å | 1.10Å | |
| C37 | H62 | sing | 1.09Å | 1.10Å | |
| N7 | C38 | sing | 1.46Å | 1.46Å | |
| N7 | C39 | sing | 1.48Å | 1.46Å | |
| C38 | H63 | sing | 1.09Å | 1.10Å | |
| C38 | H64 | sing | 1.09Å | 1.10Å | |
| C38 | H65 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C39 | C43 | sing | 1.50Å | 1.52Å | |
| C39 | H66 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C40 | C42 | sing | 1.53Å | 1.53Å | |
| C40 | H67 | sing | 1.09Å | 1.10Å | |
| C41 | H68 | sing | 1.09Å | 1.10Å | |
| C41 | H69 | sing | 1.09Å | 1.10Å | |
| C41 | H70 | sing | 1.09Å | 1.10Å | |
| C42 | H71 | sing | 1.09Å | 1.10Å | |
| C42 | H72 | sing | 1.09Å | 1.10Å | |
| C42 | H73 | sing | 1.09Å | 1.10Å | |
| C43 | O9 | doub | 1.21Å | 1.21Å | |
| N8 | C44 | sing | 1.47Å | 1.46Å | |
| N8 | C48 | sing | 1.47Å | 1.48Å | |
| C44 | C45 | sing | 1.50Å | 1.53Å | |
| C44 | C46 | sing | 1.54Å | 1.53Å | |
| C44 | H74 | sing | 1.09Å | 1.10Å | |
| C45 | O10 | doub | 1.21Å | 1.23Å | |
| C46 | C47 | sing | 1.54Å | 1.48Å | |
| C46 | H75 | sing | 1.09Å | 1.10Å | |
| C46 | H76 | sing | 1.09Å | 1.10Å | |
| C47 | C48 | sing | 1.53Å | 1.50Å | |
| C47 | H77 | sing | 1.09Å | 1.10Å | |
| C47 | H78 | sing | 1.09Å | 1.10Å | |
| C48 | H79 | sing | 1.09Å | 1.10Å | |
| C48 | H80 | sing | 1.09Å | 1.10Å | |
| N9 | C49 | sing | 1.46Å | 1.46Å | |
| N9 | C50 | sing | 1.49Å | 1.47Å | |
| C50 | C51 | sing | 1.51Å | 1.52Å | |
| C50 | C52 | sing | 1.53Å | 1.53Å | |
| C51 | O11 | doub | 1.21Å | 1.21Å | |
| C52 | C53 | sing | 1.53Å | 1.53Å | |
| C53 | C54 | sing | 1.53Å | 1.52Å | |
| C53 | C55 | sing | 1.53Å | 1.52Å | |
| C49 | H81 | sing | 1.09Å | 1.10Å | |
| C49 | H82 | sing | 1.09Å | 1.10Å | |
| C49 | H83 | sing | 1.09Å | 1.10Å | |
| C50 | H84 | sing | 1.09Å | 1.10Å | |
| C52 | H85 | sing | 1.09Å | 1.10Å | |
| C52 | H86 | sing | 1.09Å | 1.10Å | |
| C53 | H87 | sing | 1.09Å | 1.10Å | |
| C54 | H88 | sing | 1.09Å | 1.10Å | |
| C54 | H89 | sing | 1.09Å | 1.10Å | |
| C54 | H90 | sing | 1.09Å | 1.10Å | |
| C55 | H91 | sing | 1.09Å | 1.10Å | |
| C55 | H92 | sing | 1.09Å | 1.10Å | |
| C55 | H93 | sing | 1.09Å | 1.10Å | |
| N10 | C56 | sing | 1.48Å | 1.45Å | |
| N10 | H94 | sing | 0.97Å | 1.00Å | |
| C56 | C57 | sing | 1.51Å | 1.52Å | |
| C56 | H95 | sing | 1.09Å | 1.10Å | |
| C56 | H96 | sing | 1.09Å | 1.10Å | |
| C57 | O12 | doub | 1.21Å | 1.24Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C8 | N2 | sing | 1.35Å | 1.33Å | |
| C9 | N3 | sing | 1.35Å | 1.33Å | |
| O5 | C57 | sing | 1.34Å | 1.37Å | |
| C15 | N4 | sing | 1.36Å | 1.33Å | |
| C21 | N5 | sing | 1.35Å | 1.33Å | |
| C26 | N6 | sing | 1.37Å | 1.33Å | |
| C33 | N7 | sing | 1.37Å | 1.33Å | |
| C43 | N8 | sing | 1.34Å | 1.34Å | |
| C45 | N9 | sing | 1.37Å | 1.33Å | |
| C51 | N10 | sing | 1.37Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.8° | 120.0° |
| O1 | C1 | N1 | 120.2° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.4° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C2 | C1 | N1 | 118.9° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.4° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | C4 | 114.4° | 120.0° |
| N1 | C3 | H4 | 109.5° | 109.5° |
| N1 | C3 | H5 | 109.4° | 109.5° |
| N1 | C3 | H6 | 109.5° | 109.5° |
| C3 | N1 | C1 | 123.5° | 120.0° |
| N1 | C4 | C5 | 111.5° | 109.4° |
| N1 | C4 | C8 | 111.0° | 109.5° |
| N1 | C4 | H7 | 108.4° | 109.4° |
| C4 | N1 | C1 | 122.1° | 120.0° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H4 | C3 | H6 | 109.4° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.4° |
| C5 | C4 | C8 | 110.7° | 109.5° |
| C5 | C4 | H7 | 107.4° | 109.5° |
| C4 | C5 | C6 | 111.8° | 109.5° |
| C4 | C5 | C7 | 112.2° | 109.5° |
| C4 | C5 | H8 | 107.3° | 109.5° |
| C8 | C4 | H7 | 107.7° | 109.5° |
| C4 | C8 | O2 | 122.6° | 120.0° |
| C4 | C8 | N2 | 115.0° | 120.0° |
| C6 | C5 | C7 | 110.1° | 109.5° |
| C6 | C5 | H8 | 107.6° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C5 | C6 | H10 | 109.5° | 109.4° |
| C5 | C6 | H11 | 109.5° | 109.5° |
| C7 | C5 | H8 | 107.6° | 109.5° |
| C5 | C7 | H12 | 109.5° | 109.5° |
| C5 | C7 | H13 | 109.5° | 109.5° |
| C5 | C7 | H14 | 109.4° | 109.5° |
| H9 | C6 | H10 | 109.4° | 109.5° |
| H9 | C6 | H11 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.4° |
| H12 | C7 | H13 | 109.4° | 109.5° |
| H12 | C7 | H14 | 109.5° | 109.4° |
| H13 | C7 | H14 | 109.5° | 109.4° |
| O2 | C8 | N2 | 122.4° | 120.0° |
| O3 | C9 | C10 | 121.3° | 120.0° |
| O3 | C9 | N3 | 121.9° | 119.9° |
| C9 | C10 | N2 | 109.8° | 109.9° |
| C9 | C10 | C11 | 113.0° | 109.9° |
| C9 | C10 | H15 | 109.0° | 109.9° |
| C10 | C9 | N3 | 116.8° | 120.0° |
| C10 | N2 | C12 | 106.9° | 108.7° |
| N2 | C10 | C11 | 106.6° | 107.3° |
| N2 | C10 | H15 | 109.6° | 109.9° |
| C10 | N2 | C8 | 122.0° | 125.7° |
| N2 | C12 | C14 | 105.3° | 104.7° |
| N2 | C12 | H18 | 110.5° | 110.4° |
| N2 | C12 | H19 | 110.5° | 110.4° |
| C12 | N2 | C8 | 130.5° | 125.6° |
| C11 | C10 | H15 | 108.7° | 110.0° |
| C10 | C11 | C14 | 101.7° | 103.0° |
| C10 | C11 | H16 | 111.4° | 110.8° |
| C10 | C11 | H17 | 111.3° | 110.7° |
| C14 | C11 | H16 | 111.4° | 110.7° |
| C14 | C11 | H17 | 111.4° | 110.7° |
| C11 | C14 | C12 | 99.8° | 101.5° |
| C11 | C14 | C13 | 112.1° | 111.1° |
| C11 | C14 | H23 | 110.2° | 111.0° |
| H16 | C11 | H17 | 109.5° | 110.7° |
| C14 | C12 | H18 | 110.5° | 110.5° |
| C14 | C12 | H19 | 110.5° | 110.3° |
| C12 | C14 | C13 | 113.2° | 110.9° |
| C12 | C14 | H23 | 110.5° | 111.2° |
| H18 | C12 | H19 | 109.5° | 110.4° |
| C14 | C13 | H20 | 109.5° | 109.4° |
| C14 | C13 | H21 | 109.4° | 109.5° |
| C14 | C13 | H22 | 109.5° | 109.5° |
| C13 | C14 | H23 | 110.6° | 110.9° |
| H20 | C13 | H21 | 109.5° | 109.5° |
| H20 | C13 | H22 | 109.4° | 109.4° |
| H21 | C13 | H22 | 109.4° | 109.5° |
| C19 | N3 | C16 | 118.4° | 120.0° |
| N3 | C19 | H29 | 109.5° | 109.5° |
| N3 | C19 | H30 | 109.5° | 109.5° |
| N3 | C19 | H31 | 109.5° | 109.5° |
| C19 | N3 | C9 | 122.3° | 120.0° |
| N3 | C16 | C15 | 114.3° | 109.4° |
| N3 | C16 | C17 | 114.5° | 109.4° |
| N3 | C16 | H24 | 106.2° | 109.4° |
| C16 | N3 | C9 | 119.3° | 120.0° |
| O4 | C15 | C16 | 123.0° | 120.5° |
| O4 | C15 | N4 | 122.7° | 120.5° |
| O5 | C17 | C16 | 109.5° | 109.3° |
| O5 | C17 | C18 | 110.5° | 109.5° |
| O5 | C17 | H25 | 108.8° | 109.5° |
| C17 | O5 | C57 | 121.0° | 117.1° |
| C15 | C16 | C17 | 109.8° | 109.7° |
| C15 | C16 | H24 | 105.7° | 109.4° |
| C16 | C15 | N4 | 114.3° | 119.0° |
| C17 | C16 | H24 | 105.5° | 109.4° |
| C16 | C17 | C18 | 112.7° | 109.5° |
| C16 | C17 | H25 | 107.4° | 109.5° |
| C18 | C17 | H25 | 107.7° | 109.5° |
| C17 | C18 | H26 | 109.5° | 109.5° |
| C17 | C18 | H27 | 109.5° | 109.4° |
| C17 | C18 | H28 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.4° | 109.4° |
| H26 | C18 | H28 | 109.5° | 109.5° |
| H27 | C18 | H28 | 109.5° | 109.5° |
| H29 | C19 | H30 | 109.5° | 109.5° |
| H29 | C19 | H31 | 109.5° | 109.4° |
| H30 | C19 | H31 | 109.5° | 109.5° |
| C20 | N4 | H32 | 119.2° | 122.2° |
| N4 | C20 | C21 | 109.9° | 108.7° |
| N4 | C20 | C22 | 110.3° | 109.6° |
| N4 | C20 | H33 | 109.2° | 109.6° |
| C20 | N4 | C15 | 121.6° | 115.6° |
| H32 | N4 | C15 | 119.2° | 122.2° |
| C21 | C20 | C22 | 111.0° | 109.6° |
| C21 | C20 | H33 | 108.2° | 109.6° |
| C20 | C21 | O6 | 120.5° | 120.0° |
| C20 | C21 | N5 | 117.1° | 120.0° |
| C22 | C20 | H33 | 108.2° | 109.7° |
| C20 | C22 | C23 | 115.3° | 109.5° |
| C20 | C22 | H34 | 108.0° | 109.4° |
| C20 | C22 | H35 | 108.0° | 109.4° |
| O6 | C21 | N5 | 122.4° | 120.0° |
| C23 | C22 | H34 | 108.0° | 109.5° |
| C23 | C22 | H35 | 108.0° | 109.5° |
| C22 | C23 | C24 | 110.2° | 109.5° |
| C22 | C23 | C25 | 110.7° | 109.5° |
| C22 | C23 | H36 | 108.3° | 109.4° |
| H34 | C22 | H35 | 109.5° | 109.5° |
| C24 | C23 | C25 | 110.4° | 109.5° |
| C24 | C23 | H36 | 108.6° | 109.5° |
| C23 | C24 | H37 | 109.5° | 109.5° |
| C23 | C24 | H38 | 109.5° | 109.4° |
| C23 | C24 | H39 | 109.5° | 109.5° |
| C25 | C23 | H36 | 108.5° | 109.5° |
| C23 | C25 | H40 | 109.5° | 109.5° |
| C23 | C25 | H41 | 109.4° | 109.5° |
| C23 | C25 | H42 | 109.5° | 109.5° |
| H37 | C24 | H38 | 109.5° | 109.5° |
| H37 | C24 | H39 | 109.5° | 109.5° |
| H38 | C24 | H39 | 109.5° | 109.5° |
| H40 | C25 | H41 | 109.5° | 109.5° |
| H40 | C25 | H42 | 109.5° | 109.4° |
| H41 | C25 | H42 | 109.5° | 109.4° |
| O7 | C26 | C27 | 120.9° | 120.3° |
| O7 | C26 | N6 | 122.2° | 120.3° |
| C26 | C27 | N5 | 112.2° | 109.8° |
| C26 | C27 | C28 | 112.1° | 109.9° |
| C26 | C27 | H43 | 108.2° | 109.7° |
| C27 | C26 | N6 | 116.9° | 119.5° |
| C27 | N5 | C29 | 107.6° | 109.5° |
| N5 | C27 | C28 | 107.5° | 108.1° |
| N5 | C27 | H43 | 108.8° | 109.6° |
| C27 | N5 | C21 | 121.0° | 125.3° |
| N5 | C29 | C31 | 106.2° | 108.0° |
| N5 | C29 | H46 | 110.3° | 109.7° |
| N5 | C29 | H47 | 110.3° | 109.8° |
| C29 | N5 | C21 | 126.7° | 125.2° |
| C28 | C27 | H43 | 107.9° | 109.7° |
| C27 | C28 | C31 | 103.7° | 106.0° |
| C27 | C28 | H44 | 110.9° | 110.2° |
| C27 | C28 | H45 | 110.9° | 110.2° |
| C31 | C28 | H44 | 110.9° | 110.1° |
| C31 | C28 | H45 | 110.9° | 110.1° |
| C28 | C31 | C29 | 101.5° | 104.5° |
| C28 | C31 | C30 | 110.7° | 110.4° |
| C28 | C31 | H51 | 110.1° | 110.5° |
| H44 | C28 | H45 | 109.5° | 110.2° |
| C31 | C29 | H46 | 110.3° | 109.8° |
| C31 | C29 | H47 | 110.3° | 109.8° |
| C29 | C31 | C30 | 113.1° | 110.4° |
| C29 | C31 | H51 | 110.5° | 110.4° |
| H46 | C29 | H47 | 109.4° | 109.7° |
| C31 | C30 | H48 | 109.5° | 109.5° |
| C31 | C30 | H49 | 109.5° | 109.5° |
| C31 | C30 | H50 | 109.4° | 109.5° |
| C30 | C31 | H51 | 110.5° | 110.4° |
| H48 | C30 | H49 | 109.5° | 109.4° |
| H48 | C30 | H50 | 109.5° | 109.5° |
| H49 | C30 | H50 | 109.5° | 109.5° |
| C32 | N6 | H52 | 119.5° | 122.3° |
| N6 | C32 | C33 | 109.8° | 109.6° |
| N6 | C32 | C34 | 111.8° | 109.5° |
| N6 | C32 | H53 | 109.2° | 109.5° |
| C32 | N6 | C26 | 121.0° | 115.4° |
| H52 | N6 | C26 | 119.5° | 122.3° |
| C33 | C32 | C34 | 109.2° | 109.4° |
| C33 | C32 | H53 | 108.5° | 109.4° |
| C32 | C33 | O8 | 120.3° | 120.8° |
| C32 | C33 | N7 | 116.6° | 118.4° |
| C34 | C32 | H53 | 108.3° | 109.4° |
| C32 | C34 | C35 | 122.5° | 109.4° |
| C32 | C34 | H54 | 106.1° | 109.5° |
| C32 | C34 | H55 | 106.1° | 109.5° |
| O8 | C33 | N7 | 123.0° | 120.8° |
| C35 | C34 | H54 | 106.1° | 109.4° |
| C35 | C34 | H55 | 106.1° | 109.5° |
| C34 | C35 | C36 | 111.6° | 109.5° |
| C34 | C35 | C37 | 109.3° | 109.4° |
| C34 | C35 | H56 | 108.6° | 109.5° |
| H54 | C34 | H55 | 109.5° | 109.5° |
| C36 | C35 | C37 | 110.0° | 109.5° |
| C36 | C35 | H56 | 108.8° | 109.5° |
| C35 | C36 | H57 | 109.5° | 109.5° |
| C35 | C36 | H58 | 109.5° | 109.5° |
| C35 | C36 | H59 | 109.5° | 109.5° |
| C37 | C35 | H56 | 108.6° | 109.4° |
| C35 | C37 | H60 | 109.5° | 109.5° |
| C35 | C37 | H61 | 109.4° | 109.4° |
| C35 | C37 | H62 | 109.5° | 109.5° |
| H57 | C36 | H58 | 109.5° | 109.4° |
| H57 | C36 | H59 | 109.4° | 109.4° |
| H58 | C36 | H59 | 109.5° | 109.5° |
| H60 | C37 | H61 | 109.5° | 109.4° |
| H60 | C37 | H62 | 109.5° | 109.5° |
| H61 | C37 | H62 | 109.5° | 109.5° |
| C38 | N7 | C39 | 115.3° | 122.0° |
| N7 | C38 | H63 | 109.5° | 109.5° |
| N7 | C38 | H64 | 109.5° | 109.5° |
| N7 | C38 | H65 | 109.5° | 109.5° |
| C38 | N7 | C33 | 123.7° | 122.0° |
| N7 | C39 | C40 | 111.2° | 109.4° |
| N7 | C39 | C43 | 112.4° | 109.4° |
| N7 | C39 | H66 | 108.1° | 109.5° |
| C39 | N7 | C33 | 120.8° | 116.1° |
| H63 | C38 | H64 | 109.5° | 109.5° |
| H63 | C38 | H65 | 109.5° | 109.4° |
| H64 | C38 | H65 | 109.5° | 109.4° |
| C40 | C39 | C43 | 110.3° | 109.5° |
| C40 | C39 | H66 | 107.2° | 109.5° |
| C39 | C40 | C41 | 111.9° | 109.5° |
| C39 | C40 | C42 | 110.8° | 109.5° |
| C39 | C40 | H67 | 107.6° | 109.5° |
| C43 | C39 | H66 | 107.4° | 109.5° |
| C39 | C43 | O9 | 121.7° | 119.3° |
| C39 | C43 | N8 | 116.7° | 121.3° |
| C41 | C40 | C42 | 110.7° | 109.5° |
| C41 | C40 | H67 | 107.8° | 109.4° |
| C40 | C41 | H68 | 109.5° | 109.5° |
| C40 | C41 | H69 | 109.4° | 109.5° |
| C40 | C41 | H70 | 109.5° | 109.5° |
| C42 | C40 | H67 | 107.8° | 109.5° |
| C40 | C42 | H71 | 109.5° | 109.5° |
| C40 | C42 | H72 | 109.5° | 109.5° |
| C40 | C42 | H73 | 109.5° | 109.5° |
| H68 | C41 | H69 | 109.5° | 109.5° |
| H68 | C41 | H70 | 109.5° | 109.5° |
| H69 | C41 | H70 | 109.4° | 109.4° |
| H71 | C42 | H72 | 109.5° | 109.5° |
| H71 | C42 | H73 | 109.4° | 109.5° |
| H72 | C42 | H73 | 109.5° | 109.4° |
| O9 | C43 | N8 | 121.6° | 119.4° |
| C44 | N8 | C48 | 111.5° | 108.6° |
| N8 | C44 | C45 | 111.9° | 109.3° |
| N8 | C44 | C46 | 102.5° | 107.3° |
| N8 | C44 | H74 | 111.1° | 109.6° |
| C44 | N8 | C43 | 128.4° | 125.3° |
| N8 | C48 | C47 | 103.6° | 107.9° |
| N8 | C48 | H79 | 110.9° | 109.8° |
| N8 | C48 | H80 | 110.9° | 109.8° |
| C48 | N8 | C43 | 120.1° | 126.1° |
| C45 | C44 | C46 | 111.0° | 111.2° |
| C45 | C44 | H74 | 110.1° | 110.0° |
| C44 | C45 | O10 | 119.5° | 120.4° |
| C44 | C45 | N9 | 117.9° | 119.3° |
| C46 | C44 | H74 | 110.1° | 109.4° |
| C44 | C46 | C47 | 103.5° | 104.6° |
| C44 | C46 | H75 | 111.0° | 110.4° |
| C44 | C46 | H76 | 110.9° | 110.4° |
| O10 | C45 | N9 | 122.6° | 120.3° |
| C47 | C46 | H75 | 110.9° | 110.5° |
| C47 | C46 | H76 | 111.0° | 110.4° |
| C46 | C47 | C48 | 106.6° | 106.4° |
| C46 | C47 | H77 | 110.2° | 110.0° |
| C46 | C47 | H78 | 110.2° | 110.1° |
| H75 | C46 | H76 | 109.5° | 110.4° |
| C48 | C47 | H77 | 110.2° | 110.1° |
| C48 | C47 | H78 | 110.2° | 110.1° |
| C47 | C48 | H79 | 111.0° | 109.8° |
| C47 | C48 | H80 | 110.9° | 109.8° |
| H77 | C47 | H78 | 109.5° | 110.0° |
| H79 | C48 | H80 | 109.5° | 109.7° |
| C49 | N9 | C50 | 112.7° | 123.7° |
| N9 | C49 | H81 | 109.5° | 109.5° |
| N9 | C49 | H82 | 109.4° | 109.5° |
| N9 | C49 | H83 | 109.5° | 109.5° |
| C49 | N9 | C45 | 126.6° | 123.7° |
| N9 | C50 | C51 | 112.8° | 109.5° |
| N9 | C50 | C52 | 112.0° | 109.5° |
| N9 | C50 | H84 | 107.5° | 109.5° |
| C50 | N9 | C45 | 120.0° | 112.7° |
| C51 | C50 | C52 | 110.7° | 109.5° |
| C50 | C51 | O11 | 121.2° | 121.4° |
| C51 | C50 | H84 | 106.9° | 109.5° |
| C50 | C51 | N10 | 116.0° | 117.2° |
| C50 | C52 | C53 | 115.3° | 109.5° |
| C52 | C50 | H84 | 106.7° | 109.4° |
| C50 | C52 | H85 | 108.0° | 109.4° |
| C50 | C52 | H86 | 108.0° | 109.5° |
| O11 | C51 | N10 | 122.9° | 121.4° |
| C52 | C53 | C54 | 110.9° | 109.4° |
| C52 | C53 | C55 | 111.3° | 109.4° |
| C53 | C52 | H85 | 108.0° | 109.5° |
| C53 | C52 | H86 | 108.0° | 109.5° |
| C52 | C53 | H87 | 107.9° | 109.5° |
| C54 | C53 | C55 | 110.6° | 109.4° |
| C54 | C53 | H87 | 108.1° | 109.5° |
| C53 | C54 | H88 | 109.5° | 109.5° |
| C53 | C54 | H89 | 109.4° | 109.5° |
| C53 | C54 | H90 | 109.5° | 109.5° |
| C55 | C53 | H87 | 108.0° | 109.5° |
| C53 | C55 | H91 | 109.5° | 109.4° |
| C53 | C55 | H92 | 109.5° | 109.4° |
| C53 | C55 | H93 | 109.5° | 109.5° |
| H81 | C49 | H82 | 109.5° | 109.5° |
| H81 | C49 | H83 | 109.4° | 109.5° |
| H82 | C49 | H83 | 109.5° | 109.5° |
| H85 | C52 | H86 | 109.5° | 109.5° |
| H88 | C54 | H89 | 109.5° | 109.4° |
| H88 | C54 | H90 | 109.5° | 109.4° |
| H89 | C54 | H90 | 109.5° | 109.4° |
| H91 | C55 | H92 | 109.5° | 109.5° |
| H91 | C55 | H93 | 109.5° | 109.5° |
| H92 | C55 | H93 | 109.4° | 109.5° |
| C56 | N10 | H94 | 119.2° | 121.9° |
| N10 | C56 | C57 | 111.5° | 108.4° |
| N10 | C56 | H95 | 109.0° | 109.7° |
| N10 | C56 | H96 | 108.9° | 109.7° |
| C56 | N10 | C51 | 121.6° | 116.0° |
| H94 | N10 | C51 | 119.2° | 122.1° |
| C57 | C56 | H95 | 108.9° | 109.7° |
| C57 | C56 | H96 | 109.0° | 109.7° |
| C56 | C57 | O12 | 121.8° | 120.1° |
| C56 | C57 | O5 | 117.7° | 119.7° |
| H95 | C56 | H96 | 109.5° | 109.7° |
| O12 | C57 | O5 | 117.3° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 178.6° | 179.8° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.1° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 179.8° | 180.0° |
| O1 | C1 | N1 | C4 | 1.1° | 0.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 119.9° |
| C2 | C1 | N1 | C3 | 1.6° | 0.2° |
| C2 | C1 | N1 | C4 | 177.5° | 179.7° |
| H1 | C2 | H2 | H3 | 119.9° | 120.0° |
| H1 | C2 | C1 | N1 | 178.6° | 179.8° |
| H2 | C2 | C1 | N1 | 61.4° | 59.7° |
| H3 | C2 | C1 | N1 | 58.6° | 60.2° |
| C3 | N1 | C4 | C1 | 179.2° | 179.9° |
| N1 | C3 | H4 | H5 | 120.0° | 120.0° |
| N1 | C3 | H4 | H6 | 120.0° | 120.1° |
| N1 | C3 | H5 | H6 | 120.0° | 120.0° |
| C3 | N1 | C4 | C5 | 72.6° | 72.0° |
| C3 | N1 | C4 | C8 | 51.3° | 48.0° |
| C3 | N1 | C4 | H7 | 169.4° | 168.0° |
| C4 | N1 | C3 | H4 | 180.0° | 92.4° |
| C4 | N1 | C3 | H5 | 60.0° | 27.5° |
| C4 | N1 | C3 | H6 | 60.0° | 147.5° |
| N1 | C4 | C5 | C8 | 124.1° | 120.0° |
| N1 | C4 | C5 | H7 | 118.6° | 120.0° |
| N1 | C4 | C8 | H7 | 118.5° | 120.0° |
| N1 | C4 | C5 | C6 | 170.4° | 44.4° |
| N1 | C4 | C5 | C7 | 46.1° | 75.7° |
| N1 | C4 | C5 | H8 | 71.9° | 164.4° |
| N1 | C4 | C8 | O2 | 96.7° | 7.6° |
| N1 | C4 | C8 | N2 | 82.5° | 172.5° |
| H4 | C3 | H5 | H6 | 120.0° | 119.9° |
| H4 | C3 | N1 | C1 | 0.8° | 87.5° |
| H5 | C3 | N1 | C1 | 120.8° | 152.5° |
| H6 | C3 | N1 | C1 | 119.2° | 32.5° |
| C5 | C4 | C8 | H7 | 117.2° | 120.1° |
| C4 | C5 | C6 | C7 | 125.5° | 120.0° |
| C4 | C5 | C6 | H8 | 117.6° | 120.0° |
| C4 | C5 | C7 | H8 | 117.8° | 120.0° |
| C4 | C5 | C6 | H9 | 180.0° | 65.1° |
| C4 | C5 | C6 | H10 | 60.0° | 174.9° |
| C4 | C5 | C6 | H11 | 60.0° | 55.0° |
| C4 | C5 | C7 | H12 | 180.0° | 54.6° |
| C4 | C5 | C7 | H13 | 60.0° | 174.7° |
| C4 | C5 | C7 | H14 | 60.0° | 65.4° |
| C5 | C4 | C8 | O2 | 27.6° | 112.4° |
| C5 | C4 | N1 | C1 | 106.5° | 108.0° |
| C5 | C4 | C8 | N2 | 153.1° | 67.5° |
| C8 | C4 | C5 | C6 | 65.6° | 164.3° |
| C8 | C4 | C5 | C7 | 170.1° | 44.3° |
| C8 | C4 | C5 | H8 | 52.2° | 75.7° |
| C4 | C8 | O2 | N2 | 179.2° | 179.9° |
| C4 | C8 | N2 | C10 | 175.8° | 175.4° |
| C4 | C8 | N2 | C12 | 5.3° | 4.3° |
| C8 | C4 | N1 | C1 | 129.5° | 132.0° |
| H7 | C4 | C5 | C6 | 51.8° | 75.6° |
| H7 | C4 | C5 | C7 | 72.5° | 164.4° |
| H7 | C4 | C5 | H8 | 169.5° | 44.4° |
| H7 | C4 | C8 | O2 | 144.8° | 127.5° |
| H7 | C4 | N1 | C1 | 11.4° | 12.0° |
| H7 | C4 | C8 | N2 | 35.9° | 52.5° |
| C6 | C5 | C7 | H8 | 117.0° | 120.0° |
| C5 | C6 | H9 | H10 | 120.0° | 120.0° |
| C5 | C6 | H9 | H11 | 120.0° | 120.0° |
| C5 | C6 | H10 | H11 | 120.0° | 119.9° |
| C6 | C5 | C7 | H12 | 54.8° | 174.6° |
| C6 | C5 | C7 | H13 | 65.2° | 65.3° |
| C6 | C5 | C7 | H14 | 174.8° | 54.6° |
| C7 | C5 | C6 | H9 | 54.6° | 55.0° |
| C7 | C5 | C6 | H10 | 174.5° | 65.0° |
| C7 | C5 | C6 | H11 | 65.4° | 175.0° |
| C5 | C7 | H12 | H13 | 120.0° | 120.0° |
| C5 | C7 | H12 | H14 | 120.0° | 120.0° |
| C5 | C7 | H13 | H14 | 120.0° | 120.0° |
| H8 | C5 | C6 | H9 | 62.4° | 175.0° |
| H8 | C5 | C6 | H10 | 57.6° | 55.0° |
| H8 | C5 | C6 | H11 | 177.6° | 65.0° |
| H8 | C5 | C7 | H12 | 62.2° | 65.4° |
| H8 | C5 | C7 | H13 | 177.8° | 54.7° |
| H8 | C5 | C7 | H14 | 57.8° | 174.7° |
| H9 | C6 | H10 | H11 | 120.0° | 120.1° |
| H12 | C7 | H13 | H14 | 120.0° | 119.9° |
| O2 | C8 | N2 | C10 | 3.5° | 4.7° |
| O2 | C8 | N2 | C12 | 174.0° | 175.7° |
| O3 | C9 | C10 | N3 | 179.5° | 179.9° |
| O3 | C9 | C10 | N2 | 27.1° | 18.6° |
| O3 | C9 | C10 | C11 | 91.8° | 99.2° |
| O3 | C9 | C10 | H15 | 147.2° | 139.6° |
| O3 | C9 | N3 | C19 | 178.8° | 180.0° |
| O3 | C9 | N3 | C16 | 4.2° | 0.1° |
| C9 | C10 | N2 | C11 | 122.7° | 119.4° |
| C9 | C10 | N2 | H15 | 119.7° | 121.0° |
| C9 | C10 | N2 | C12 | 115.9° | 120.7° |
| C9 | C10 | C11 | H15 | 121.2° | 121.1° |
| C9 | C10 | C11 | C14 | 89.2° | 97.2° |
| C9 | C10 | C11 | H16 | 29.6° | 21.1° |
| C9 | C10 | C11 | H17 | 152.0° | 144.4° |
| C10 | C9 | N3 | C19 | 1.7° | 0.1° |
| C10 | C9 | N3 | C16 | 175.3° | 180.0° |
| C9 | C10 | N2 | C8 | 71.7° | 59.6° |
| C10 | N2 | C12 | C8 | 171.6° | 179.7° |
| N2 | C10 | C11 | H15 | 118.1° | 119.5° |
| N2 | C10 | C11 | C14 | 31.5° | 22.2° |
| N2 | C10 | C11 | H16 | 150.2° | 140.6° |
| N2 | C10 | C11 | H17 | 87.3° | 96.2° |
| C10 | N2 | C12 | C14 | 21.1° | 24.4° |
| C10 | N2 | C12 | H18 | 98.2° | 94.5° |
| C10 | N2 | C12 | H19 | 140.5° | 143.2° |
| N2 | C10 | C9 | N3 | 153.4° | 161.5° |
| C12 | N2 | C10 | C11 | 6.9° | 1.3° |
| C12 | N2 | C10 | H15 | 124.4° | 118.2° |
| N2 | C12 | C14 | C11 | 39.7° | 37.3° |
| N2 | C12 | C14 | H18 | 119.3° | 118.9° |
| N2 | C12 | C14 | H19 | 119.3° | 118.8° |
| N2 | C12 | H18 | H19 | 121.9° | 122.3° |
| N2 | C12 | C14 | C13 | 159.0° | 155.3° |
| N2 | C12 | C14 | H23 | 76.4° | 80.8° |
| C10 | C11 | C14 | H16 | 118.8° | 118.4° |
| C10 | C11 | C14 | H17 | 118.7° | 118.4° |
| C10 | C11 | H16 | H17 | 123.6° | 123.3° |
| C10 | C11 | C14 | C12 | 42.8° | 35.6° |
| C10 | C11 | C14 | C13 | 162.9° | 153.6° |
| C10 | C11 | C14 | H23 | 73.5° | 82.6° |
| C11 | C10 | N2 | C8 | 165.6° | 179.0° |
| C11 | C10 | C9 | N3 | 87.7° | 80.7° |
| H15 | C10 | C11 | C14 | 149.6° | 141.6° |
| H15 | C10 | C11 | H16 | 91.6° | 100.0° |
| H15 | C10 | C11 | H17 | 30.8° | 23.3° |
| H15 | C10 | N2 | C8 | 48.1° | 61.4° |
| H15 | C10 | C9 | N3 | 33.3° | 40.5° |
| C14 | C11 | H16 | H17 | 123.6° | 123.1° |
| C11 | C14 | C12 | C13 | 119.3° | 118.1° |
| C11 | C14 | C12 | H23 | 116.1° | 118.1° |
| C11 | C14 | C12 | H18 | 79.6° | 81.6° |
| C11 | C14 | C12 | H19 | 159.1° | 156.1° |
| C11 | C14 | C13 | H23 | 123.4° | 123.9° |
| C11 | C14 | C13 | H20 | 180.0° | 60.0° |
| C11 | C14 | C13 | H21 | 60.0° | 180.0° |
| C11 | C14 | C13 | H22 | 60.0° | 59.9° |
| H16 | C11 | C14 | C12 | 161.6° | 154.1° |
| H16 | C11 | C14 | C13 | 78.4° | 88.0° |
| H16 | C11 | C14 | H23 | 45.2° | 35.8° |
| H17 | C11 | C14 | C12 | 75.9° | 82.7° |
| H17 | C11 | C14 | C13 | 44.1° | 35.2° |
| H17 | C11 | C14 | H23 | 167.8° | 159.0° |
| C14 | C12 | H18 | H19 | 121.9° | 122.3° |
| C12 | C14 | C13 | H23 | 124.6° | 124.1° |
| C12 | C14 | C13 | H20 | 68.0° | 52.1° |
| C12 | C14 | C13 | H21 | 171.9° | 68.0° |
| C12 | C14 | C13 | H22 | 52.0° | 172.0° |
| C14 | C12 | N2 | C8 | 167.3° | 155.9° |
| H18 | C12 | C14 | C13 | 39.7° | 36.5° |
| H18 | C12 | C14 | H23 | 164.3° | 160.3° |
| H18 | C12 | N2 | C8 | 73.4° | 85.2° |
| H19 | C12 | C14 | C13 | 81.6° | 85.9° |
| H19 | C12 | C14 | H23 | 43.0° | 38.0° |
| H19 | C12 | N2 | C8 | 47.9° | 37.1° |
| C14 | C13 | H20 | H21 | 120.0° | 120.1° |
| C14 | C13 | H20 | H22 | 120.0° | 120.0° |
| C14 | C13 | H21 | H22 | 120.0° | 120.0° |
| H20 | C13 | H21 | H22 | 120.0° | 119.9° |
| H20 | C13 | C14 | H23 | 56.6° | 176.1° |
| H21 | C13 | C14 | H23 | 63.5° | 56.1° |
| H22 | C13 | C14 | H23 | 176.6° | 63.9° |
| C19 | N3 | C16 | C9 | 177.2° | 179.9° |
| C19 | N3 | C16 | C15 | 68.8° | 51.3° |
| C19 | N3 | C16 | C17 | 59.1° | 68.9° |
| C19 | N3 | C16 | H24 | 175.1° | 171.2° |
| N3 | C19 | H29 | H30 | 120.0° | 120.0° |
| N3 | C19 | H29 | H31 | 120.0° | 120.0° |
| N3 | C19 | H30 | H31 | 120.0° | 120.0° |
| N3 | C16 | C15 | O4 | 13.5° | 93.4° |
| N3 | C16 | C17 | O5 | 72.1° | 26.0° |
| N3 | C16 | C15 | C17 | 130.2° | 120.1° |
| N3 | C16 | C15 | H24 | 116.4° | 119.9° |
| N3 | C16 | C17 | H24 | 116.4° | 119.9° |
| N3 | C16 | C17 | C18 | 51.3° | 94.0° |
| N3 | C16 | C17 | H25 | 169.9° | 146.0° |
| C16 | N3 | C19 | H29 | 180.0° | 87.3° |
| C16 | N3 | C19 | H30 | 60.0° | 32.8° |
| C16 | N3 | C19 | H31 | 60.0° | 152.8° |
| N3 | C16 | C15 | N4 | 166.3° | 86.6° |
| O4 | C15 | C16 | N4 | 179.8° | 180.0° |
| O4 | C15 | C16 | C17 | 116.8° | 26.7° |
| O4 | C15 | C16 | H24 | 129.9° | 146.7° |
| O4 | C15 | N4 | C20 | 10.1° | 0.0° |
| O4 | C15 | N4 | H32 | 169.9° | 180.0° |
| O5 | C17 | C16 | C15 | 58.1° | 94.0° |
| O5 | C17 | C16 | C18 | 123.4° | 120.0° |
| O5 | C17 | C16 | H25 | 118.0° | 119.9° |
| O5 | C17 | C16 | H24 | 171.5° | 146.0° |
| O5 | C17 | C18 | H25 | 118.8° | 120.1° |
| O5 | C17 | C18 | H26 | 180.0° | 86.8° |
| O5 | C17 | C18 | H27 | 60.0° | 153.2° |
| O5 | C17 | C18 | H28 | 60.0° | 33.2° |
| C17 | O5 | C57 | C56 | 174.4° | 179.3° |
| C17 | O5 | C57 | O12 | 13.9° | 0.7° |
| C15 | C16 | C17 | H24 | 113.4° | 120.0° |
| C15 | C16 | C17 | C18 | 178.5° | 146.0° |
| C15 | C16 | C17 | H25 | 60.0° | 25.9° |
| C16 | C15 | N4 | C20 | 170.1° | 180.0° |
| C16 | C15 | N4 | H32 | 10.0° | 0.0° |
| C15 | C16 | N3 | C9 | 108.4° | 128.8° |
| C16 | C17 | C18 | H25 | 118.3° | 120.0° |
| C16 | C17 | C18 | H26 | 57.1° | 153.3° |
| C16 | C17 | C18 | H27 | 62.9° | 33.3° |
| C16 | C17 | C18 | H28 | 177.1° | 86.7° |
| C17 | C16 | N3 | C9 | 123.7° | 111.0° |
| C16 | C17 | O5 | C57 | 145.9° | 138.0° |
| C17 | C16 | C15 | N4 | 63.4° | 153.3° |
| H24 | C16 | C17 | C18 | 65.0° | 26.0° |
| H24 | C16 | C17 | H25 | 53.5° | 94.1° |
| H24 | C16 | N3 | C9 | 7.7° | 8.9° |
| H24 | C16 | C15 | N4 | 49.9° | 33.3° |
| C17 | C18 | H26 | H27 | 120.0° | 119.9° |
| C17 | C18 | H26 | H28 | 120.0° | 120.0° |
| C17 | C18 | H27 | H28 | 120.0° | 120.0° |
| C18 | C17 | O5 | C57 | 89.3° | 18.0° |
| H25 | C17 | C18 | H26 | 61.2° | 33.2° |
| H25 | C17 | C18 | H27 | 178.8° | 86.7° |
| H25 | C17 | C18 | H28 | 58.8° | 153.3° |
| H25 | C17 | O5 | C57 | 28.8° | 102.0° |
| H26 | C18 | H27 | H28 | 120.0° | 120.0° |
| H29 | C19 | H30 | H31 | 120.0° | 120.0° |
| H29 | C19 | N3 | C9 | 2.9° | 92.8° |
| H30 | C19 | N3 | C9 | 117.1° | 147.2° |
| H31 | C19 | N3 | C9 | 122.9° | 27.2° |
| C20 | N4 | H32 | C15 | 180.0° | 180.0° |
| N4 | C20 | C21 | C22 | 122.3° | 119.8° |
| N4 | C20 | C21 | H33 | 119.1° | 119.8° |
| N4 | C20 | C22 | H33 | 119.4° | 120.4° |
| N4 | C20 | C21 | O6 | 20.5° | 25.2° |
| N4 | C20 | C22 | C23 | 66.6° | 167.9° |
| N4 | C20 | C22 | H34 | 54.2° | 47.9° |
| N4 | C20 | C22 | H35 | 172.5° | 72.1° |
| N4 | C20 | C21 | N5 | 159.8° | 154.7° |
| H32 | N4 | C20 | C21 | 120.7° | 86.7° |
| H32 | N4 | C20 | C22 | 2.0° | 153.6° |
| H32 | N4 | C20 | H33 | 120.8° | 33.1° |
| C21 | C20 | C22 | H33 | 118.6° | 120.4° |
| C20 | C21 | O6 | N5 | 179.6° | 179.9° |
| C21 | C20 | C22 | C23 | 171.4° | 72.9° |
| C21 | C20 | C22 | H34 | 67.8° | 167.0° |
| C21 | C20 | C22 | H35 | 50.5° | 47.1° |
| C20 | C21 | N5 | C27 | 171.3° | 179.9° |
| C20 | C21 | N5 | C29 | 18.4° | 0.1° |
| C21 | C20 | N4 | C15 | 59.3° | 93.3° |
| C22 | C20 | C21 | O6 | 101.7° | 94.6° |
| C20 | C22 | C23 | H34 | 120.8° | 120.0° |
| C20 | C22 | C23 | H35 | 120.9° | 120.0° |
| C20 | C22 | H34 | H35 | 117.3° | 119.9° |
| C20 | C22 | C23 | C24 | 164.8° | 60.8° |
| C20 | C22 | C23 | C25 | 72.8° | 179.2° |
| C20 | C22 | C23 | H36 | 46.1° | 59.2° |
| C22 | C20 | N4 | C15 | 177.9° | 26.4° |
| C22 | C20 | C21 | N5 | 77.9° | 85.5° |
| H33 | C20 | C21 | O6 | 139.6° | 144.9° |
| H33 | C20 | C22 | C23 | 52.7° | 47.5° |
| H33 | C20 | C22 | H34 | 173.6° | 72.5° |
| H33 | C20 | C22 | H35 | 68.1° | 167.5° |
| H33 | C20 | N4 | C15 | 59.2° | 146.9° |
| H33 | C20 | C21 | N5 | 40.7° | 35.0° |
| O6 | C21 | N5 | C27 | 9.1° | 0.0° |
| O6 | C21 | N5 | C29 | 161.9° | 180.0° |
| C23 | C22 | H34 | H35 | 117.3° | 120.0° |
| C22 | C23 | C24 | C25 | 122.7° | 120.0° |
| C22 | C23 | C24 | H36 | 118.5° | 119.9° |
| C22 | C23 | C25 | H36 | 118.8° | 120.0° |
| C22 | C23 | C24 | H37 | 180.0° | 65.2° |
| C22 | C23 | C24 | H38 | 60.0° | 174.8° |
| C22 | C23 | C24 | H39 | 60.0° | 54.8° |
| C22 | C23 | C25 | H40 | 180.0° | 59.9° |
| C22 | C23 | C25 | H41 | 60.0° | 180.0° |
| C22 | C23 | C25 | H42 | 60.0° | 60.0° |
| H34 | C22 | C23 | C24 | 43.9° | 59.2° |
| H34 | C22 | C23 | C25 | 166.4° | 60.8° |
| H34 | C22 | C23 | H36 | 74.8° | 179.2° |
| H35 | C22 | C23 | C24 | 74.4° | 179.2° |
| H35 | C22 | C23 | C25 | 48.1° | 59.2° |
| H35 | C22 | C23 | H36 | 166.9° | 60.8° |
| C24 | C23 | C25 | H36 | 118.9° | 120.0° |
| C23 | C24 | H37 | H38 | 120.0° | 120.0° |
| C23 | C24 | H37 | H39 | 120.0° | 120.0° |
| C23 | C24 | H38 | H39 | 120.0° | 120.0° |
| C24 | C23 | C25 | H40 | 57.7° | 180.0° |
| C24 | C23 | C25 | H41 | 62.4° | 60.0° |
| C24 | C23 | C25 | H42 | 177.7° | 60.0° |
| C25 | C23 | C24 | H37 | 57.3° | 54.8° |
| C25 | C23 | C24 | H38 | 177.3° | 65.2° |
| C25 | C23 | C24 | H39 | 62.7° | 174.8° |
| C23 | C25 | H40 | H41 | 120.0° | 120.1° |
| C23 | C25 | H40 | H42 | 120.0° | 120.0° |
| C23 | C25 | H41 | H42 | 120.0° | 120.0° |
| H36 | C23 | C24 | H37 | 61.5° | 174.9° |
| H36 | C23 | C24 | H38 | 58.5° | 54.8° |
| H36 | C23 | C24 | H39 | 178.5° | 65.1° |
| H36 | C23 | C25 | H40 | 61.2° | 60.0° |
| H36 | C23 | C25 | H41 | 178.8° | 60.0° |
| H36 | C23 | C25 | H42 | 58.8° | 180.0° |
| H37 | C24 | H38 | H39 | 120.0° | 120.0° |
| H40 | C25 | H41 | H42 | 120.0° | 119.9° |
| O7 | C26 | C27 | N6 | 180.0° | 179.9° |
| O7 | C26 | C27 | N5 | 130.3° | 60.0° |
| O7 | C26 | C27 | C28 | 9.2° | 58.8° |
| O7 | C26 | C27 | H43 | 109.6° | 179.5° |
| O7 | C26 | N6 | C32 | 3.1° | 2.2° |
| O7 | C26 | N6 | H52 | 176.9° | 177.8° |
| C26 | C27 | N5 | C28 | 123.6° | 119.9° |
| C26 | C27 | N5 | H43 | 119.7° | 120.6° |
| C26 | C27 | N5 | C29 | 125.7° | 122.3° |
| C26 | C27 | C28 | H43 | 119.0° | 120.8° |
| C26 | C27 | C28 | C31 | 103.5° | 109.8° |
| C26 | C27 | C28 | H44 | 15.6° | 9.3° |
| C26 | C27 | C28 | H45 | 137.5° | 131.1° |
| C27 | C26 | N6 | C32 | 176.9° | 177.8° |
| C27 | C26 | N6 | H52 | 3.1° | 2.3° |
| C26 | C27 | N5 | C21 | 76.8° | 57.7° |
| C27 | N5 | C29 | C21 | 155.8° | 180.0° |
| N5 | C27 | C28 | H43 | 117.2° | 119.4° |
| N5 | C27 | C28 | C31 | 20.3° | 10.0° |
| N5 | C27 | C28 | H44 | 139.3° | 129.1° |
| N5 | C27 | C28 | H45 | 98.8° | 109.1° |
| C27 | N5 | C29 | C31 | 24.4° | 14.0° |
| C27 | N5 | C29 | H46 | 95.1° | 105.6° |
| C27 | N5 | C29 | H47 | 143.9° | 133.7° |
| N5 | C27 | C26 | N6 | 49.6° | 120.1° |
| C29 | N5 | C27 | C28 | 2.1° | 2.4° |
| C29 | N5 | C27 | H43 | 114.6° | 117.1° |
| N5 | C29 | C31 | C28 | 36.0° | 19.7° |
| N5 | C29 | C31 | H46 | 119.5° | 119.6° |
| N5 | C29 | C31 | H47 | 119.5° | 119.7° |
| N5 | C29 | H46 | H47 | 121.5° | 120.7° |
| N5 | C29 | C31 | C30 | 154.7° | 138.5° |
| N5 | C29 | C31 | H51 | 80.8° | 99.1° |
| C27 | C28 | C31 | H44 | 119.1° | 119.1° |
| C27 | C28 | C31 | H45 | 119.1° | 119.2° |
| C27 | C28 | H44 | H45 | 122.7° | 121.8° |
| C27 | C28 | C31 | C29 | 33.7° | 17.8° |
| C27 | C28 | C31 | C30 | 154.1° | 136.6° |
| C27 | C28 | C31 | H51 | 83.4° | 101.0° |
| C28 | C27 | N5 | C21 | 159.5° | 177.6° |
| C28 | C27 | C26 | N6 | 170.7° | 121.2° |
| H43 | C27 | C28 | C31 | 137.5° | 129.4° |
| H43 | C27 | C28 | H44 | 103.4° | 111.5° |
| H43 | C27 | C28 | H45 | 18.4° | 10.3° |
| H43 | C27 | N5 | C21 | 42.9° | 62.9° |
| H43 | C27 | C26 | N6 | 70.4° | 0.4° |
| C31 | C28 | H44 | H45 | 122.7° | 121.7° |
| C28 | C31 | C29 | C30 | 118.7° | 118.8° |
| C28 | C31 | C29 | H51 | 116.8° | 118.8° |
| C28 | C31 | C29 | H46 | 83.5° | 99.9° |
| C28 | C31 | C29 | H47 | 155.5° | 139.4° |
| C28 | C31 | C30 | H51 | 122.3° | 122.5° |
| C28 | C31 | C30 | H48 | 180.0° | 60.0° |
| C28 | C31 | C30 | H49 | 60.0° | 179.9° |
| C28 | C31 | C30 | H50 | 60.0° | 60.0° |
| H44 | C28 | C31 | C29 | 152.8° | 136.9° |
| H44 | C28 | C31 | C30 | 86.8° | 104.3° |
| H44 | C28 | C31 | H51 | 35.7° | 18.2° |
| H45 | C28 | C31 | C29 | 85.3° | 101.4° |
| H45 | C28 | C31 | C30 | 35.0° | 17.4° |
| H45 | C28 | C31 | H51 | 157.6° | 139.9° |
| C31 | C29 | H46 | H47 | 121.5° | 120.8° |
| C29 | C31 | C30 | H51 | 124.5° | 122.4° |
| C29 | C31 | C30 | H48 | 66.8° | 55.1° |
| C29 | C31 | C30 | H49 | 173.2° | 64.8° |
| C29 | C31 | C30 | H50 | 53.2° | 175.1° |
| C31 | C29 | N5 | C21 | 179.9° | 166.0° |
| H46 | C29 | C31 | C30 | 35.2° | 18.9° |
| H46 | C29 | C31 | H51 | 159.7° | 141.3° |
| H46 | C29 | N5 | C21 | 60.6° | 74.4° |
| H47 | C29 | C31 | C30 | 85.8° | 101.8° |
| H47 | C29 | C31 | H51 | 38.7° | 20.6° |
| H47 | C29 | N5 | C21 | 60.4° | 46.3° |
| C31 | C30 | H48 | H49 | 120.0° | 120.0° |
| C31 | C30 | H48 | H50 | 120.0° | 120.0° |
| C31 | C30 | H49 | H50 | 119.9° | 120.1° |
| H48 | C30 | H49 | H50 | 120.0° | 120.0° |
| H48 | C30 | C31 | H51 | 57.7° | 177.6° |
| H49 | C30 | C31 | H51 | 62.3° | 57.6° |
| H50 | C30 | C31 | H51 | 177.7° | 62.5° |
| C32 | N6 | H52 | C26 | 180.0° | 180.0° |
| N6 | C32 | C33 | C34 | 122.9° | 120.1° |
| N6 | C32 | C33 | H53 | 119.3° | 120.1° |
| N6 | C32 | C34 | H53 | 120.4° | 120.0° |
| N6 | C32 | C33 | O8 | 51.8° | 16.9° |
| N6 | C32 | C34 | C35 | 79.6° | 57.1° |
| N6 | C32 | C34 | H54 | 42.2° | 177.1° |
| N6 | C32 | C34 | H55 | 158.6° | 62.9° |
| N6 | C32 | C33 | N7 | 128.0° | 163.2° |
| H52 | N6 | C32 | C33 | 107.0° | 17.0° |
| H52 | N6 | C32 | C34 | 14.4° | 137.0° |
| H52 | N6 | C32 | H53 | 134.2° | 103.0° |
| C33 | C32 | C34 | H53 | 117.9° | 119.9° |
| C32 | C33 | O8 | N7 | 179.8° | 179.9° |
| C33 | C32 | C34 | C35 | 158.7° | 63.0° |
| C33 | C32 | C34 | H54 | 79.5° | 57.0° |
| C33 | C32 | C34 | H55 | 37.0° | 177.0° |
| C32 | C33 | N7 | C38 | 9.0° | 12.6° |
| C32 | C33 | N7 | C39 | 175.1° | 167.5° |
| C33 | C32 | N6 | C26 | 73.0° | 163.0° |
| C34 | C32 | C33 | O8 | 71.1° | 136.9° |
| C32 | C34 | C35 | H54 | 121.8° | 120.0° |
| C32 | C34 | C35 | H55 | 121.8° | 120.0° |
| C32 | C34 | H54 | H55 | 114.1° | 120.1° |
| C32 | C34 | C35 | C36 | 68.1° | 60.2° |
| C32 | C34 | C35 | C37 | 170.1° | 179.8° |
| C32 | C34 | C35 | H56 | 51.8° | 59.9° |
| C34 | C32 | N6 | C26 | 165.7° | 43.0° |
| C34 | C32 | C33 | N7 | 109.1° | 43.2° |
| H53 | C32 | C33 | O8 | 171.1° | 103.2° |
| H53 | C32 | C34 | C35 | 40.8° | 177.1° |
| H53 | C32 | C34 | H54 | 162.6° | 62.9° |
| H53 | C32 | C34 | H55 | 81.0° | 57.1° |
| H53 | C32 | N6 | C26 | 45.8° | 77.0° |
| H53 | C32 | C33 | N7 | 8.7° | 76.7° |
| O8 | C33 | N7 | C38 | 170.9° | 167.5° |
| O8 | C33 | N7 | C39 | 5.0° | 12.4° |
| C35 | C34 | H54 | H55 | 114.2° | 120.0° |
| C34 | C35 | C36 | C37 | 121.5° | 120.0° |
| C34 | C35 | C36 | H56 | 119.8° | 120.0° |
| C34 | C35 | C37 | H56 | 118.3° | 119.9° |
| C34 | C35 | C36 | H57 | 180.0° | 173.5° |
| C34 | C35 | C36 | H58 | 60.0° | 66.5° |
| C34 | C35 | C36 | H59 | 60.0° | 53.5° |
| C34 | C35 | C37 | H60 | 180.0° | 60.0° |
| C34 | C35 | C37 | H61 | 60.0° | 180.0° |
| C34 | C35 | C37 | H62 | 60.0° | 60.0° |
| H54 | C34 | C35 | C36 | 53.7° | 59.8° |
| H54 | C34 | C35 | C37 | 68.1° | 60.2° |
| H54 | C34 | C35 | H56 | 173.6° | 179.9° |
| H55 | C34 | C35 | C36 | 170.2° | 179.8° |
| H55 | C34 | C35 | C37 | 48.3° | 59.8° |
| H55 | C34 | C35 | H56 | 69.9° | 60.2° |
| C36 | C35 | C37 | H56 | 118.9° | 120.1° |
| C35 | C36 | H57 | H58 | 120.0° | 120.0° |
| C35 | C36 | H57 | H59 | 120.0° | 120.0° |
| C35 | C36 | H58 | H59 | 120.0° | 120.0° |
| C36 | C35 | C37 | H60 | 57.2° | 180.0° |
| C36 | C35 | C37 | H61 | 62.8° | 60.0° |
| C36 | C35 | C37 | H62 | 177.2° | 60.0° |
| C37 | C35 | C36 | H57 | 58.5° | 53.5° |
| C37 | C35 | C36 | H58 | 178.5° | 173.5° |
| C37 | C35 | C36 | H59 | 61.5° | 66.5° |
| C35 | C37 | H60 | H61 | 120.0° | 119.9° |
| C35 | C37 | H60 | H62 | 120.0° | 120.1° |
| C35 | C37 | H61 | H62 | 120.0° | 120.0° |
| H56 | C35 | C36 | H57 | 60.3° | 66.5° |
| H56 | C35 | C36 | H58 | 59.8° | 53.5° |
| H56 | C35 | C36 | H59 | 179.8° | 173.5° |
| H56 | C35 | C37 | H60 | 61.7° | 59.9° |
| H56 | C35 | C37 | H61 | 178.3° | 60.1° |
| H56 | C35 | C37 | H62 | 58.3° | 180.0° |
| H57 | C36 | H58 | H59 | 119.9° | 119.9° |
| H60 | C37 | H61 | H62 | 120.0° | 120.0° |
| C38 | N7 | C39 | C33 | 176.2° | 179.9° |
| N7 | C38 | H63 | H64 | 120.0° | 120.1° |
| N7 | C38 | H63 | H65 | 120.0° | 120.0° |
| N7 | C38 | H64 | H65 | 120.0° | 120.0° |
| C38 | N7 | C39 | C40 | 59.4° | 52.5° |
| C38 | N7 | C39 | C43 | 64.8° | 67.4° |
| C38 | N7 | C39 | H66 | 176.8° | 172.6° |
| C39 | N7 | C38 | H63 | 180.0° | 118.6° |
| C39 | N7 | C38 | H64 | 60.0° | 1.5° |
| C39 | N7 | C38 | H65 | 60.0° | 121.4° |
| N7 | C39 | C40 | C43 | 125.4° | 119.9° |
| N7 | C39 | C40 | H66 | 118.0° | 120.0° |
| N7 | C39 | C43 | H66 | 118.8° | 120.0° |
| N7 | C39 | C40 | C41 | 61.4° | 76.5° |
| N7 | C39 | C40 | C42 | 174.5° | 43.5° |
| N7 | C39 | C40 | H67 | 56.9° | 163.6° |
| N7 | C39 | C43 | O9 | 71.9° | 53.1° |
| N7 | C39 | C43 | N8 | 109.0° | 127.0° |
| H63 | C38 | H64 | H65 | 120.0° | 119.9° |
| H63 | C38 | N7 | C33 | 3.9° | 61.3° |
| H64 | C38 | N7 | C33 | 123.9° | 178.6° |
| H65 | C38 | N7 | C33 | 116.1° | 58.7° |
| C40 | C39 | C43 | H66 | 116.5° | 120.1° |
| C39 | C40 | C41 | C42 | 124.1° | 120.0° |
| C39 | C40 | C41 | H67 | 118.2° | 120.0° |
| C39 | C40 | C42 | H67 | 117.5° | 120.1° |
| C39 | C40 | C41 | H68 | 180.0° | 55.0° |
| C39 | C40 | C41 | H69 | 60.0° | 175.1° |
| C39 | C40 | C41 | H70 | 60.0° | 65.0° |
| C39 | C40 | C42 | H71 | 180.0° | 54.8° |
| C39 | C40 | C42 | H72 | 60.0° | 174.8° |
| C39 | C40 | C42 | H73 | 60.0° | 65.3° |
| C40 | C39 | C43 | O9 | 52.7° | 173.0° |
| C40 | C39 | N7 | C33 | 116.8° | 127.5° |
| C40 | C39 | C43 | N8 | 126.3° | 7.1° |
| C43 | C39 | C40 | C41 | 173.3° | 163.6° |
| C43 | C39 | C40 | C42 | 49.2° | 76.4° |
| C43 | C39 | C40 | H67 | 68.5° | 43.7° |
| C39 | C43 | O9 | N8 | 179.0° | 179.9° |
| C39 | C43 | N8 | C44 | 1.5° | 179.5° |
| C39 | C43 | N8 | C48 | 179.5° | 0.1° |
| C43 | C39 | N7 | C33 | 119.1° | 112.5° |
| H66 | C39 | C40 | C41 | 56.6° | 43.5° |
| H66 | C39 | C40 | C42 | 67.5° | 163.5° |
| H66 | C39 | C40 | H67 | 174.9° | 76.4° |
| H66 | C39 | C43 | O9 | 169.2° | 66.9° |
| H66 | C39 | N7 | C33 | 0.6° | 7.5° |
| H66 | C39 | C43 | N8 | 9.8° | 113.0° |
| C41 | C40 | C42 | H67 | 117.7° | 119.9° |
| C40 | C41 | H68 | H69 | 120.0° | 120.0° |
| C40 | C41 | H68 | H70 | 120.0° | 120.0° |
| C40 | C41 | H69 | H70 | 120.0° | 119.9° |
| C41 | C40 | C42 | H71 | 55.2° | 174.8° |
| C41 | C40 | C42 | H72 | 175.3° | 65.2° |
| C41 | C40 | C42 | H73 | 64.8° | 54.8° |
| C42 | C40 | C41 | H68 | 55.9° | 65.0° |
| C42 | C40 | C41 | H69 | 64.1° | 55.0° |
| C42 | C40 | C41 | H70 | 175.9° | 175.0° |
| C40 | C42 | H71 | H72 | 120.0° | 120.1° |
| C40 | C42 | H71 | H73 | 120.0° | 120.0° |
| C40 | C42 | H72 | H73 | 120.0° | 120.0° |
| H67 | C40 | C41 | H68 | 61.8° | 175.0° |
| H67 | C40 | C41 | H69 | 178.2° | 64.9° |
| H67 | C40 | C41 | H70 | 58.2° | 55.0° |
| H67 | C40 | C42 | H71 | 62.5° | 65.3° |
| H67 | C40 | C42 | H72 | 57.5° | 54.8° |
| H67 | C40 | C42 | H73 | 177.5° | 174.7° |
| H68 | C41 | H69 | H70 | 120.0° | 120.0° |
| H71 | C42 | H72 | H73 | 120.0° | 120.0° |
| O9 | C43 | N8 | C44 | 177.6° | 0.6° |
| O9 | C43 | N8 | C48 | 0.4° | 179.9° |
| C44 | N8 | C48 | C43 | 178.3° | 179.6° |
| N8 | C44 | C45 | C46 | 113.8° | 118.3° |
| N8 | C44 | C45 | H74 | 124.0° | 120.4° |
| N8 | C44 | C46 | H74 | 118.2° | 118.8° |
| N8 | C44 | C45 | O10 | 3.1° | 31.1° |
| N8 | C44 | C46 | C47 | 33.2° | 21.7° |
| N8 | C44 | C46 | H75 | 152.2° | 97.2° |
| N8 | C44 | C46 | H76 | 85.9° | 140.5° |
| C44 | N8 | C48 | C47 | 0.2° | 14.2° |
| C44 | N8 | C48 | H79 | 119.3° | 105.3° |
| C44 | N8 | C48 | H80 | 118.8° | 133.9° |
| N8 | C44 | C45 | N9 | 177.1° | 148.9° |
| C48 | N8 | C44 | C45 | 98.2° | 143.4° |
| C48 | N8 | C44 | C46 | 20.8° | 22.7° |
| C48 | N8 | C44 | H74 | 138.3° | 96.0° |
| N8 | C48 | C47 | C46 | 21.6° | 0.3° |
| N8 | C48 | C47 | H79 | 119.0° | 119.6° |
| N8 | C48 | C47 | H80 | 119.0° | 119.7° |
| N8 | C48 | C47 | H77 | 98.0° | 119.0° |
| N8 | C48 | C47 | H78 | 141.1° | 119.6° |
| N8 | C48 | H79 | H80 | 122.7° | 120.7° |
| C45 | C44 | C46 | H74 | 122.2° | 121.7° |
| C44 | C45 | O10 | N9 | 179.9° | 179.9° |
| C45 | C44 | C46 | C47 | 86.5° | 141.2° |
| C45 | C44 | C46 | H75 | 32.6° | 22.4° |
| C45 | C44 | C46 | H76 | 154.5° | 100.0° |
| C44 | C45 | N9 | C49 | 17.7° | 50.3° |
| C44 | C45 | N9 | C50 | 172.4° | 129.7° |
| C45 | C44 | N8 | C43 | 83.6° | 36.2° |
| C46 | C44 | C45 | O10 | 110.8° | 87.2° |
| C44 | C46 | C47 | H75 | 119.0° | 118.8° |
| C44 | C46 | C47 | H76 | 119.0° | 118.8° |
| C44 | C46 | H75 | H76 | 122.8° | 122.4° |
| C44 | C46 | C47 | C48 | 34.4° | 12.8° |
| C44 | C46 | C47 | H77 | 85.2° | 132.1° |
| C44 | C46 | C47 | H78 | 153.9° | 106.5° |
| C46 | C44 | N8 | C43 | 157.3° | 156.9° |
| C46 | C44 | C45 | N9 | 69.1° | 92.8° |
| H74 | C44 | C45 | O10 | 127.1° | 151.5° |
| H74 | C44 | C46 | C47 | 151.4° | 97.2° |
| H74 | C44 | C46 | H75 | 89.6° | 144.0° |
| H74 | C44 | C46 | H76 | 32.3° | 21.7° |
| H74 | C44 | N8 | C43 | 39.8° | 84.4° |
| H74 | C44 | C45 | N9 | 53.1° | 28.5° |
| O10 | C45 | N9 | C49 | 162.4° | 129.7° |
| O10 | C45 | N9 | C50 | 7.4° | 50.3° |
| C47 | C46 | H75 | H76 | 122.8° | 122.4° |
| C46 | C47 | C48 | H77 | 119.6° | 119.3° |
| C46 | C47 | C48 | H78 | 119.5° | 119.3° |
| C46 | C47 | H77 | H78 | 121.3° | 121.4° |
| C46 | C47 | C48 | H79 | 97.5° | 119.3° |
| C46 | C47 | C48 | H80 | 140.6° | 120.0° |
| H75 | C46 | C47 | C48 | 153.4° | 106.0° |
| H75 | C46 | C47 | H77 | 33.9° | 13.3° |
| H75 | C46 | C47 | H78 | 87.0° | 134.7° |
| H76 | C46 | C47 | C48 | 84.6° | 131.6° |
| H76 | C46 | C47 | H77 | 155.8° | 109.1° |
| H76 | C46 | C47 | H78 | 34.9° | 12.3° |
| C48 | C47 | H77 | H78 | 121.3° | 121.5° |
| C47 | C48 | H79 | H80 | 122.8° | 120.8° |
| C47 | C48 | N8 | C43 | 178.1° | 165.3° |
| H77 | C47 | C48 | H79 | 143.0° | 121.4° |
| H77 | C47 | C48 | H80 | 21.0° | 0.7° |
| H78 | C47 | C48 | H79 | 22.0° | 0.0° |
| H78 | C47 | C48 | H80 | 99.9° | 120.8° |
| H79 | C48 | N8 | C43 | 59.0° | 75.1° |
| H80 | C48 | N8 | C43 | 62.9° | 45.7° |
| C49 | N9 | C50 | C45 | 171.2° | 180.0° |
| C49 | N9 | C50 | C51 | 50.1° | 71.7° |
| C49 | N9 | C50 | C52 | 75.6° | 168.2° |
| N9 | C49 | H81 | H82 | 120.0° | 120.0° |
| N9 | C49 | H81 | H83 | 120.0° | 120.0° |
| N9 | C49 | H82 | H83 | 120.0° | 120.0° |
| C49 | N9 | C50 | H84 | 167.6° | 48.3° |
| N9 | C50 | C51 | C52 | 126.4° | 120.1° |
| N9 | C50 | C51 | H84 | 117.8° | 120.0° |
| N9 | C50 | C52 | H84 | 117.3° | 119.9° |
| N9 | C50 | C51 | O11 | 127.5° | 0.3° |
| N9 | C50 | C52 | C53 | 50.6° | 100.4° |
| C50 | N9 | C49 | H81 | 180.0° | 180.0° |
| C50 | N9 | C49 | H82 | 60.0° | 60.1° |
| C50 | N9 | C49 | H83 | 60.0° | 60.0° |
| N9 | C50 | C52 | H85 | 171.4° | 139.6° |
| N9 | C50 | C52 | H86 | 70.2° | 19.6° |
| N9 | C50 | C51 | N10 | 52.2° | 179.6° |
| C51 | C50 | C52 | H84 | 115.9° | 120.0° |
| C50 | C51 | O11 | N10 | 179.7° | 180.0° |
| C51 | C50 | C52 | C53 | 177.4° | 139.5° |
| C51 | C50 | C52 | H85 | 61.8° | 19.5° |
| C51 | C50 | C52 | H86 | 56.6° | 100.5° |
| C50 | C51 | N10 | C56 | 175.5° | 179.9° |
| C50 | C51 | N10 | H94 | 4.5° | 0.0° |
| C51 | C50 | N9 | C45 | 121.1° | 108.3° |
| C52 | C50 | C51 | O11 | 1.2° | 120.4° |
| C50 | C52 | C53 | H85 | 120.8° | 120.0° |
| C50 | C52 | C53 | H86 | 120.9° | 120.0° |
| C50 | C52 | C53 | C54 | 175.6° | 177.5° |
| C50 | C52 | C53 | C55 | 60.8° | 62.6° |
| C50 | C52 | H85 | H86 | 117.4° | 120.0° |
| C50 | C52 | C53 | H87 | 57.5° | 57.5° |
| C52 | C50 | N9 | C45 | 113.2° | 11.7° |
| C52 | C50 | C51 | N10 | 178.5° | 59.6° |
| O11 | C51 | C50 | H84 | 114.6° | 119.7° |
| O11 | C51 | N10 | C56 | 4.8° | 0.0° |
| O11 | C51 | N10 | H94 | 175.2° | 180.0° |
| C52 | C53 | C54 | C55 | 124.0° | 119.9° |
| C52 | C53 | C54 | H87 | 118.0° | 120.0° |
| C52 | C53 | C55 | H87 | 118.3° | 120.1° |
| C53 | C52 | C50 | H84 | 66.7° | 19.5° |
| C53 | C52 | H85 | H86 | 117.4° | 120.1° |
| C52 | C53 | C54 | H88 | 180.0° | 66.2° |
| C52 | C53 | C54 | H89 | 60.0° | 173.8° |
| C52 | C53 | C54 | H90 | 60.0° | 53.9° |
| C52 | C53 | C55 | H91 | 180.0° | 87.6° |
| C52 | C53 | C55 | H92 | 60.0° | 152.4° |
| C52 | C53 | C55 | H93 | 60.0° | 32.4° |
| C54 | C53 | C55 | H87 | 118.0° | 120.0° |
| C54 | C53 | C52 | H85 | 63.5° | 57.5° |
| C54 | C53 | C52 | H86 | 54.8° | 62.5° |
| C53 | C54 | H88 | H89 | 120.0° | 120.0° |
| C53 | C54 | H88 | H90 | 120.0° | 120.1° |
| C53 | C54 | H89 | H90 | 120.0° | 120.1° |
| C54 | C53 | C55 | H91 | 56.3° | 152.4° |
| C54 | C53 | C55 | H92 | 176.3° | 32.5° |
| C54 | C53 | C55 | H93 | 63.7° | 87.6° |
| C55 | C53 | C52 | H85 | 60.0° | 177.5° |
| C55 | C53 | C52 | H86 | 178.3° | 57.4° |
| C55 | C53 | C54 | H88 | 56.0° | 53.8° |
| C55 | C53 | C54 | H89 | 64.0° | 66.2° |
| C55 | C53 | C54 | H90 | 176.1° | 173.8° |
| C53 | C55 | H91 | H92 | 120.0° | 119.9° |
| C53 | C55 | H91 | H93 | 120.0° | 120.0° |
| C53 | C55 | H92 | H93 | 120.0° | 120.0° |
| H81 | C49 | H82 | H83 | 120.0° | 120.0° |
| H81 | C49 | N9 | C45 | 9.5° | 0.0° |
| H82 | C49 | N9 | C45 | 129.5° | 120.0° |
| H83 | C49 | N9 | C45 | 110.5° | 120.0° |
| H84 | C50 | C52 | H85 | 54.1° | 100.4° |
| H84 | C50 | C52 | H86 | 172.5° | 139.6° |
| H84 | C50 | N9 | C45 | 3.6° | 131.7° |
| H84 | C50 | C51 | N10 | 65.7° | 60.3° |
| H85 | C52 | C53 | H87 | 178.3° | 62.5° |
| H86 | C52 | C53 | H87 | 63.4° | 177.5° |
| H87 | C53 | C54 | H88 | 61.9° | 173.8° |
| H87 | C53 | C54 | H89 | 178.1° | 53.8° |
| H87 | C53 | C54 | H90 | 58.1° | 66.2° |
| H87 | C53 | C55 | H91 | 61.8° | 32.4° |
| H87 | C53 | C55 | H92 | 58.3° | 87.5° |
| H87 | C53 | C55 | H93 | 178.2° | 152.4° |
| H88 | C54 | H89 | H90 | 120.0° | 119.9° |
| H91 | C55 | H92 | H93 | 120.0° | 120.0° |
| C56 | N10 | H94 | C51 | 180.0° | 179.9° |
| N10 | C56 | C57 | H95 | 120.3° | 119.7° |
| N10 | C56 | C57 | H96 | 120.3° | 119.7° |
| N10 | C56 | H95 | H96 | 119.0° | 120.6° |
| N10 | C56 | C57 | O12 | 36.7° | 132.4° |
| N10 | C56 | C57 | O5 | 163.7° | 47.6° |
| H94 | N10 | C56 | C57 | 120.7° | 19.2° |
| H94 | N10 | C56 | H95 | 0.5° | 100.5° |
| H94 | N10 | C56 | H96 | 119.0° | 138.9° |
| C57 | C56 | H95 | H96 | 119.1° | 120.5° |
| C56 | C57 | O12 | O5 | 159.7° | 180.0° |
| C57 | C56 | N10 | C51 | 59.3° | 160.7° |
| H95 | C56 | C57 | O12 | 83.6° | 12.7° |
| H95 | C56 | C57 | O5 | 76.0° | 167.3° |
| H95 | C56 | N10 | C51 | 179.6° | 79.5° |
| H96 | C56 | C57 | O12 | 157.0° | 107.9° |
| H96 | C56 | C57 | O5 | 43.5° | 72.2° |
| H96 | C56 | N10 | C51 | 61.0° | 41.0° |
