PRD_000766
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C3 | sing | 1.50Å | 1.51Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | O1 | doub | 1.22Å | 1.23Å | |
| N2 | C4 | sing | 1.47Å | 1.51Å | |
| N2 | C5 | sing | 1.48Å | 1.45Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C10 | sing | 1.50Å | 1.51Å | |
| C5 | H9 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | O2 | doub | 1.22Å | 1.22Å | |
| N3 | C11 | sing | 1.47Å | 1.50Å | |
| N3 | C12 | sing | 1.48Å | 1.46Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.54Å | 1.53Å | |
| C12 | C17 | sing | 1.50Å | 1.52Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C16 | sing | 1.53Å | 1.51Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | O3 | doub | 1.22Å | 1.23Å | |
| N4 | C18 | sing | 1.47Å | 1.53Å | |
| N4 | C19 | sing | 1.48Å | 1.47Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.54Å | 1.58Å | |
| C19 | C23 | sing | 1.50Å | 1.54Å | |
| C19 | H35 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | C22 | sing | 1.53Å | 1.56Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C22 | H40 | sing | 1.09Å | 1.10Å | |
| C22 | H41 | sing | 1.09Å | 1.10Å | |
| C22 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | O4 | doub | 1.22Å | 1.24Å | |
| N5 | C24 | sing | 1.47Å | 1.50Å | |
| N5 | C25 | sing | 1.49Å | 1.47Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.50Å | 1.55Å | |
| C25 | C27 | sing | 1.53Å | 1.54Å | |
| C25 | H46 | sing | 1.09Å | 1.10Å | |
| C26 | O5 | doub | 1.22Å | 1.23Å | |
| C27 | O6 | sing | 1.43Å | 1.43Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| O6 | H48 | sing | 0.97Å | 0.95Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C28 | C30 | sing | 1.53Å | 1.54Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.51Å | 1.53Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å | |
| C30 | H54 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | doub | 1.31Å | 1.34Å | |
| C31 | H55 | sing | 1.08Å | 1.08Å | |
| C32 | C33 | sing | 1.51Å | 1.51Å | |
| C32 | H56 | sing | 1.08Å | 1.08Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| C33 | H59 | sing | 1.09Å | 1.10Å | |
| N6 | C34 | sing | 1.48Å | 1.47Å | |
| N6 | H60 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.50Å | 1.53Å | |
| C34 | C36 | sing | 1.54Å | 1.53Å | |
| C34 | H61 | sing | 1.09Å | 1.10Å | |
| C35 | O7 | doub | 1.22Å | 1.23Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | H62 | sing | 1.09Å | 1.10Å | |
| C36 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C38 | O8 | sing | 1.43Å | 1.42Å | |
| C38 | H66 | sing | 1.09Å | 1.10Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| O8 | H68 | sing | 0.97Å | 0.95Å | |
| N7 | C39 | sing | 1.48Å | 1.46Å | |
| N7 | C41 | sing | 1.46Å | 1.51Å | |
| C39 | C40 | sing | 1.50Å | 1.52Å | |
| C39 | H69 | sing | 1.10Å | 1.10Å | |
| C39 | H70 | sing | 1.09Å | 1.10Å | |
| C40 | O9 | doub | 1.22Å | 1.24Å | |
| C41 | H71 | sing | 1.09Å | 1.10Å | |
| C41 | H72 | sing | 1.09Å | 1.10Å | |
| C41 | H73 | sing | 1.09Å | 1.10Å | |
| N8 | C42 | sing | 1.46Å | 1.50Å | |
| N8 | C43 | sing | 1.48Å | 1.47Å | |
| C42 | H74 | sing | 1.09Å | 1.10Å | |
| C42 | H75 | sing | 1.09Å | 1.10Å | |
| C42 | H76 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.53Å | 1.54Å | |
| C43 | C48 | sing | 1.50Å | 1.54Å | |
| C43 | H77 | sing | 1.09Å | 1.10Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C44 | H78 | sing | 1.09Å | 1.10Å | |
| C44 | H79 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.53Å | 1.55Å | |
| C45 | C47 | sing | 1.53Å | 1.52Å | |
| C45 | H80 | sing | 1.09Å | 1.10Å | |
| C46 | H81 | sing | 1.09Å | 1.10Å | |
| C46 | H82 | sing | 1.09Å | 1.10Å | |
| C46 | H83 | sing | 1.09Å | 1.10Å | |
| C47 | H84 | sing | 1.09Å | 1.10Å | |
| C47 | H85 | sing | 1.09Å | 1.10Å | |
| C47 | H86 | sing | 1.09Å | 1.10Å | |
| C48 | O10 | doub | 1.23Å | 1.24Å | |
| N9 | C49 | sing | 1.47Å | 1.46Å | |
| N9 | H87 | sing | 0.99Å | 1.00Å | |
| C49 | C50 | sing | 1.51Å | 1.53Å | |
| C49 | C51 | sing | 1.53Å | 1.53Å | |
| C49 | H88 | sing | 1.09Å | 1.10Å | |
| C50 | O11 | doub | 1.22Å | 1.24Å | |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| C51 | C53 | sing | 1.53Å | 1.50Å | |
| C51 | H89 | sing | 1.09Å | 1.10Å | |
| C52 | H90 | sing | 1.09Å | 1.10Å | |
| C52 | H91 | sing | 1.09Å | 1.10Å | |
| C52 | H92 | sing | 1.09Å | 1.10Å | |
| C53 | H93 | sing | 1.09Å | 1.10Å | |
| C53 | H94 | sing | 1.09Å | 1.10Å | |
| C53 | H95 | sing | 1.09Å | 1.10Å | |
| N10 | C54 | sing | 1.47Å | 1.50Å | |
| N10 | C55 | sing | 1.48Å | 1.46Å | |
| C54 | H96 | sing | 1.09Å | 1.10Å | |
| C54 | H97 | sing | 1.09Å | 1.10Å | |
| C54 | H98 | sing | 1.09Å | 1.10Å | |
| C55 | C56 | sing | 1.53Å | 1.54Å | |
| C55 | C60 | sing | 1.50Å | 1.52Å | |
| C55 | H99 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | sing | 1.53Å | 1.54Å | |
| C56 | H100 | sing | 1.09Å | 1.10Å | |
| C56 | H101 | sing | 1.09Å | 1.10Å | |
| C57 | C58 | sing | 1.53Å | 1.53Å | |
| C57 | C59 | sing | 1.53Å | 1.52Å | |
| C57 | H102 | sing | 1.09Å | 1.10Å | |
| C58 | H103 | sing | 1.09Å | 1.10Å | |
| C58 | H104 | sing | 1.09Å | 1.10Å | |
| C58 | H105 | sing | 1.09Å | 1.10Å | |
| C59 | H106 | sing | 1.09Å | 1.10Å | |
| C59 | H107 | sing | 1.09Å | 1.10Å | |
| C59 | H108 | sing | 1.09Å | 1.10Å | |
| C60 | O12 | doub | 1.22Å | 1.23Å | |
| N11 | C61 | sing | 1.48Å | 1.45Å | |
| N11 | H109 | sing | 0.97Å | 1.00Å | |
| C61 | C62 | sing | 1.51Å | 1.52Å | |
| C61 | C63 | sing | 1.53Å | 1.55Å | |
| C61 | H110 | sing | 1.09Å | 1.10Å | |
| C62 | O13 | doub | 1.21Å | 1.24Å | |
| C63 | H111 | sing | 1.09Å | 1.10Å | |
| C63 | H112 | sing | 1.09Å | 1.10Å | |
| C63 | H113 | sing | 1.09Å | 1.10Å | |
| N1 | C62 | sing | 1.35Å | 1.33Å | |
| C3 | N2 | sing | 1.36Å | 1.32Å | |
| C10 | N3 | sing | 1.37Å | 1.33Å | |
| C17 | N4 | sing | 1.36Å | 1.34Å | |
| C23 | N5 | sing | 1.36Å | 1.34Å | |
| C26 | N6 | sing | 1.36Å | 1.33Å | |
| C35 | N7 | sing | 1.36Å | 1.33Å | |
| C40 | N8 | sing | 1.36Å | 1.34Å | |
| C48 | N9 | sing | 1.35Å | 1.33Å | |
| C50 | N10 | sing | 1.36Å | 1.34Å | |
| C60 | N11 | sing | 1.36Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 119.0° | 119.4° |
| N1 | C1 | C2 | 109.9° | 108.6° |
| N1 | C1 | C3 | 110.5° | 109.0° |
| N1 | C1 | H2 | 109.4° | 108.9° |
| C1 | N1 | C62 | 122.0° | 120.1° |
| H1 | N1 | C62 | 119.0° | 120.5° |
| C2 | C1 | C3 | 110.1° | 109.7° |
| C2 | C1 | H2 | 108.4° | 109.8° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| C1 | C2 | H5 | 109.5° | 109.5° |
| C3 | C1 | H2 | 108.6° | 110.8° |
| C1 | C3 | O1 | 120.3° | 118.9° |
| C1 | C3 | N2 | 116.4° | 122.5° |
| H3 | C2 | H4 | 109.4° | 109.5° |
| H3 | C2 | H5 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| O1 | C3 | N2 | 123.3° | 118.6° |
| C4 | N2 | C5 | 114.2° | 120.3° |
| N2 | C4 | H6 | 109.5° | 109.5° |
| N2 | C4 | H7 | 109.5° | 109.5° |
| N2 | C4 | H8 | 109.5° | 109.5° |
| C4 | N2 | C3 | 126.3° | 120.1° |
| N2 | C5 | C6 | 110.1° | 108.3° |
| N2 | C5 | C10 | 111.1° | 109.1° |
| N2 | C5 | H9 | 109.0° | 109.8° |
| C5 | N2 | C3 | 119.5° | 119.6° |
| H6 | C4 | H7 | 109.5° | 109.4° |
| H6 | C4 | H8 | 109.4° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.4° |
| C6 | C5 | C10 | 110.2° | 109.3° |
| C6 | C5 | H9 | 108.0° | 109.2° |
| C5 | C6 | C7 | 116.2° | 109.5° |
| C5 | C6 | H10 | 107.8° | 109.5° |
| C5 | C6 | H11 | 107.8° | 109.5° |
| C10 | C5 | H9 | 108.3° | 111.1° |
| C5 | C10 | O2 | 120.3° | 119.4° |
| C5 | C10 | N3 | 117.2° | 121.0° |
| C7 | C6 | H10 | 107.8° | 109.4° |
| C7 | C6 | H11 | 107.7° | 109.4° |
| C6 | C7 | C8 | 109.4° | 109.5° |
| C6 | C7 | C9 | 110.4° | 109.5° |
| C6 | C7 | H12 | 108.6° | 109.4° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| C8 | C7 | C9 | 110.8° | 109.5° |
| C8 | C7 | H12 | 108.9° | 109.4° |
| C7 | C8 | H13 | 109.5° | 109.4° |
| C7 | C8 | H14 | 109.5° | 109.4° |
| C7 | C8 | H15 | 109.5° | 109.5° |
| C9 | C7 | H12 | 108.7° | 109.5° |
| C7 | C9 | H16 | 109.5° | 109.4° |
| C7 | C9 | H17 | 109.4° | 109.5° |
| C7 | C9 | H18 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.4° | 109.5° |
| H13 | C8 | H15 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.4° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| H16 | C9 | H18 | 109.5° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.5° |
| O2 | C10 | N3 | 122.4° | 119.6° |
| C11 | N3 | C12 | 117.2° | 121.8° |
| N3 | C11 | H19 | 109.5° | 109.5° |
| N3 | C11 | H20 | 109.5° | 109.5° |
| N3 | C11 | H21 | 109.5° | 109.4° |
| C11 | N3 | C10 | 124.2° | 122.6° |
| N3 | C12 | C13 | 110.5° | 109.1° |
| N3 | C12 | C17 | 111.8° | 110.1° |
| N3 | C12 | H22 | 108.6° | 108.9° |
| C12 | N3 | C10 | 118.5° | 115.6° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H19 | C11 | H21 | 109.5° | 109.4° |
| H20 | C11 | H21 | 109.4° | 109.5° |
| C13 | C12 | C17 | 110.1° | 108.1° |
| C13 | C12 | H22 | 107.8° | 108.6° |
| C12 | C13 | C14 | 119.6° | 109.5° |
| C12 | C13 | H23 | 106.9° | 109.5° |
| C12 | C13 | H24 | 106.9° | 109.4° |
| C17 | C12 | H22 | 107.9° | 112.0° |
| C12 | C17 | O3 | 119.3° | 118.9° |
| C12 | C17 | N4 | 116.3° | 122.2° |
| C14 | C13 | H23 | 106.9° | 109.5° |
| C14 | C13 | H24 | 106.9° | 109.5° |
| C13 | C14 | C15 | 105.8° | 109.5° |
| C13 | C14 | C16 | 113.9° | 109.5° |
| C13 | C14 | H25 | 109.1° | 109.4° |
| H23 | C13 | H24 | 109.5° | 109.4° |
| C15 | C14 | C16 | 109.1° | 109.5° |
| C15 | C14 | H25 | 109.3° | 109.5° |
| C14 | C15 | H26 | 109.5° | 109.5° |
| C14 | C15 | H27 | 109.5° | 109.5° |
| C14 | C15 | H28 | 109.5° | 109.5° |
| C16 | C14 | H25 | 109.4° | 109.5° |
| C14 | C16 | H29 | 109.5° | 109.5° |
| C14 | C16 | H30 | 109.5° | 109.5° |
| C14 | C16 | H31 | 109.5° | 109.4° |
| H26 | C15 | H27 | 109.5° | 109.4° |
| H26 | C15 | H28 | 109.4° | 109.5° |
| H27 | C15 | H28 | 109.5° | 109.5° |
| H29 | C16 | H30 | 109.4° | 109.5° |
| H29 | C16 | H31 | 109.5° | 109.5° |
| H30 | C16 | H31 | 109.4° | 109.5° |
| O3 | C17 | N4 | 122.4° | 118.8° |
| C18 | N4 | C19 | 114.1° | 119.9° |
| N4 | C18 | H32 | 109.5° | 109.5° |
| N4 | C18 | H33 | 109.5° | 109.5° |
| N4 | C18 | H34 | 109.5° | 109.5° |
| C18 | N4 | C17 | 125.9° | 123.5° |
| N4 | C19 | C20 | 112.6° | 108.2° |
| N4 | C19 | C23 | 110.3° | 109.5° |
| N4 | C19 | H35 | 108.6° | 109.3° |
| C19 | N4 | C17 | 119.5° | 116.5° |
| H32 | C18 | H33 | 109.4° | 109.4° |
| H32 | C18 | H34 | 109.4° | 109.5° |
| H33 | C18 | H34 | 109.5° | 109.4° |
| C20 | C19 | C23 | 110.2° | 108.9° |
| C20 | C19 | H35 | 107.3° | 108.6° |
| C19 | C20 | C21 | 109.8° | 109.4° |
| C19 | C20 | C22 | 111.0° | 109.4° |
| C19 | C20 | H36 | 108.7° | 109.4° |
| C23 | C19 | H35 | 107.7° | 112.3° |
| C19 | C23 | O4 | 120.1° | 118.9° |
| C19 | C23 | N5 | 117.2° | 121.9° |
| C21 | C20 | C22 | 109.1° | 109.5° |
| C21 | C20 | H36 | 109.2° | 109.5° |
| C20 | C21 | H37 | 109.5° | 109.5° |
| C20 | C21 | H38 | 109.5° | 109.4° |
| C20 | C21 | H39 | 109.5° | 109.5° |
| C22 | C20 | H36 | 109.0° | 109.5° |
| C20 | C22 | H40 | 109.5° | 109.5° |
| C20 | C22 | H41 | 109.5° | 109.4° |
| C20 | C22 | H42 | 109.5° | 109.5° |
| H37 | C21 | H38 | 109.4° | 109.5° |
| H37 | C21 | H39 | 109.5° | 109.5° |
| H38 | C21 | H39 | 109.5° | 109.5° |
| H40 | C22 | H41 | 109.4° | 109.5° |
| H40 | C22 | H42 | 109.5° | 109.5° |
| H41 | C22 | H42 | 109.5° | 109.5° |
| O4 | C23 | N5 | 122.2° | 119.2° |
| C24 | N5 | C25 | 116.3° | 121.3° |
| N5 | C24 | H43 | 109.5° | 109.4° |
| N5 | C24 | H44 | 109.5° | 109.5° |
| N5 | C24 | H45 | 109.5° | 109.5° |
| C24 | N5 | C23 | 122.2° | 123.6° |
| N5 | C25 | C26 | 115.5° | 110.1° |
| N5 | C25 | C27 | 112.3° | 108.6° |
| N5 | C25 | H46 | 106.8° | 109.1° |
| C25 | N5 | C23 | 119.5° | 115.0° |
| H43 | C24 | H44 | 109.4° | 109.5° |
| H43 | C24 | H45 | 109.5° | 109.5° |
| H44 | C24 | H45 | 109.5° | 109.5° |
| C26 | C25 | C27 | 109.7° | 110.8° |
| C26 | C25 | H46 | 105.9° | 109.1° |
| C25 | C26 | O5 | 120.8° | 119.9° |
| C25 | C26 | N6 | 116.0° | 120.9° |
| C27 | C25 | H46 | 106.0° | 109.2° |
| C25 | C27 | O6 | 109.1° | 109.5° |
| C25 | C27 | C28 | 112.7° | 109.5° |
| C25 | C27 | H47 | 108.0° | 109.5° |
| O5 | C26 | N6 | 122.5° | 119.2° |
| O6 | C27 | C28 | 109.5° | 109.5° |
| O6 | C27 | H47 | 109.5° | 109.5° |
| C27 | O6 | H48 | 109.5° | 114.0° |
| C28 | C27 | H47 | 108.0° | 109.4° |
| C27 | C28 | C29 | 111.4° | 109.5° |
| C27 | C28 | C30 | 109.4° | 109.5° |
| C27 | C28 | H49 | 108.7° | 109.5° |
| C29 | C28 | C30 | 109.8° | 109.5° |
| C29 | C28 | H49 | 108.7° | 109.5° |
| C28 | C29 | H50 | 109.5° | 109.5° |
| C28 | C29 | H51 | 109.4° | 109.5° |
| C28 | C29 | H52 | 109.5° | 109.5° |
| C30 | C28 | H49 | 108.8° | 109.4° |
| C28 | C30 | C31 | 115.0° | 109.5° |
| C28 | C30 | H53 | 108.1° | 109.5° |
| C28 | C30 | H54 | 108.1° | 109.5° |
| H50 | C29 | H51 | 109.5° | 109.5° |
| H50 | C29 | H52 | 109.5° | 109.5° |
| H51 | C29 | H52 | 109.5° | 109.4° |
| C31 | C30 | H53 | 108.1° | 109.5° |
| C31 | C30 | H54 | 108.1° | 109.5° |
| C30 | C31 | C32 | 120.1° | 120.0° |
| C30 | C31 | H55 | 119.9° | 120.0° |
| H53 | C30 | H54 | 109.5° | 109.4° |
| C32 | C31 | H55 | 120.0° | 120.0° |
| C31 | C32 | C33 | 119.3° | 120.0° |
| C31 | C32 | H56 | 120.3° | 120.0° |
| C33 | C32 | H56 | 120.3° | 120.0° |
| C32 | C33 | H57 | 109.5° | 109.4° |
| C32 | C33 | H58 | 109.5° | 109.5° |
| C32 | C33 | H59 | 109.5° | 109.5° |
| H57 | C33 | H58 | 109.5° | 109.5° |
| H57 | C33 | H59 | 109.4° | 109.5° |
| H58 | C33 | H59 | 109.5° | 109.5° |
| C34 | N6 | H60 | 118.5° | 119.3° |
| N6 | C34 | C35 | 109.6° | 109.0° |
| N6 | C34 | C36 | 110.4° | 109.1° |
| N6 | C34 | H61 | 110.4° | 110.0° |
| C34 | N6 | C26 | 122.9° | 118.0° |
| H60 | N6 | C26 | 118.5° | 122.6° |
| C35 | C34 | C36 | 107.5° | 108.5° |
| C35 | C34 | H61 | 109.5° | 111.5° |
| C34 | C35 | O7 | 118.8° | 119.0° |
| C34 | C35 | N7 | 118.9° | 122.0° |
| C36 | C34 | H61 | 109.4° | 108.8° |
| C34 | C36 | C37 | 115.8° | 109.5° |
| C34 | C36 | H62 | 107.9° | 109.5° |
| C34 | C36 | H63 | 107.9° | 109.4° |
| O7 | C35 | N7 | 121.7° | 119.0° |
| C37 | C36 | H62 | 107.9° | 109.5° |
| C37 | C36 | H63 | 107.9° | 109.5° |
| C36 | C37 | C38 | 111.2° | 109.5° |
| C36 | C37 | H64 | 109.0° | 109.5° |
| C36 | C37 | H65 | 109.1° | 109.4° |
| H62 | C36 | H63 | 109.5° | 109.4° |
| C38 | C37 | H64 | 109.1° | 109.5° |
| C38 | C37 | H65 | 109.0° | 109.5° |
| C37 | C38 | O8 | 113.4° | 109.5° |
| C37 | C38 | H66 | 108.5° | 109.5° |
| C37 | C38 | H67 | 108.5° | 109.5° |
| H64 | C37 | H65 | 109.5° | 109.5° |
| O8 | C38 | H66 | 108.5° | 109.5° |
| O8 | C38 | H67 | 108.5° | 109.4° |
| C38 | O8 | H68 | 109.5° | 114.0° |
| H66 | C38 | H67 | 109.5° | 109.5° |
| C39 | N7 | C41 | 112.6° | 122.4° |
| N7 | C39 | C40 | 112.6° | 110.6° |
| N7 | C39 | H69 | 108.7° | 107.7° |
| N7 | C39 | H70 | 108.7° | 110.0° |
| C39 | N7 | C35 | 118.4° | 114.3° |
| N7 | C41 | H71 | 109.5° | 109.4° |
| N7 | C41 | H72 | 109.5° | 109.5° |
| N7 | C41 | H73 | 109.5° | 109.5° |
| C41 | N7 | C35 | 128.7° | 123.3° |
| C40 | C39 | H69 | 108.7° | 108.6° |
| C40 | C39 | H70 | 108.7° | 111.8° |
| C39 | C40 | O9 | 118.1° | 119.3° |
| C39 | C40 | N8 | 117.7° | 122.2° |
| H69 | C39 | H70 | 109.4° | 108.0° |
| O9 | C40 | N8 | 122.1° | 118.5° |
| H71 | C41 | H72 | 109.5° | 109.5° |
| H71 | C41 | H73 | 109.4° | 109.5° |
| H72 | C41 | H73 | 109.4° | 109.5° |
| C42 | N8 | C43 | 112.8° | 120.9° |
| N8 | C42 | H74 | 109.5° | 109.5° |
| N8 | C42 | H75 | 109.4° | 109.4° |
| N8 | C42 | H76 | 109.5° | 109.5° |
| C42 | N8 | C40 | 126.7° | 123.3° |
| N8 | C43 | C44 | 111.9° | 109.4° |
| N8 | C43 | C48 | 110.2° | 109.3° |
| N8 | C43 | H77 | 109.2° | 108.8° |
| C43 | N8 | C40 | 120.4° | 115.8° |
| H74 | C42 | H75 | 109.5° | 109.4° |
| H74 | C42 | H76 | 109.5° | 109.5° |
| H75 | C42 | H76 | 109.5° | 109.4° |
| C44 | C43 | C48 | 108.6° | 110.4° |
| C44 | C43 | H77 | 108.4° | 109.4° |
| C43 | C44 | C45 | 119.8° | 109.5° |
| C43 | C44 | H78 | 106.8° | 109.5° |
| C43 | C44 | H79 | 106.9° | 109.5° |
| C48 | C43 | H77 | 108.4° | 109.5° |
| C43 | C48 | O10 | 120.3° | 118.3° |
| C43 | C48 | N9 | 116.7° | 121.3° |
| C45 | C44 | H78 | 106.8° | 109.5° |
| C45 | C44 | H79 | 106.8° | 109.5° |
| C44 | C45 | C46 | 110.9° | 109.5° |
| C44 | C45 | C47 | 109.1° | 109.5° |
| C44 | C45 | H80 | 108.6° | 109.5° |
| H78 | C44 | H79 | 109.5° | 109.5° |
| C46 | C45 | C47 | 111.2° | 109.5° |
| C46 | C45 | H80 | 108.4° | 109.5° |
| C45 | C46 | H81 | 109.5° | 109.5° |
| C45 | C46 | H82 | 109.5° | 109.5° |
| C45 | C46 | H83 | 109.5° | 109.5° |
| C47 | C45 | H80 | 108.7° | 109.5° |
| C45 | C47 | H84 | 109.5° | 109.5° |
| C45 | C47 | H85 | 109.5° | 109.5° |
| C45 | C47 | H86 | 109.5° | 109.5° |
| H81 | C46 | H82 | 109.5° | 109.5° |
| H81 | C46 | H83 | 109.4° | 109.5° |
| H82 | C46 | H83 | 109.5° | 109.5° |
| H84 | C47 | H85 | 109.5° | 109.5° |
| H84 | C47 | H86 | 109.5° | 109.5° |
| H85 | C47 | H86 | 109.4° | 109.4° |
| O10 | C48 | N9 | 123.0° | 120.3° |
| C49 | N9 | H87 | 119.1° | 118.6° |
| N9 | C49 | C50 | 108.0° | 109.2° |
| N9 | C49 | C51 | 110.7° | 111.2° |
| N9 | C49 | H88 | 110.2° | 108.4° |
| C49 | N9 | C48 | 121.9° | 122.2° |
| H87 | N9 | C48 | 119.0° | 119.2° |
| C50 | C49 | C51 | 109.2° | 109.2° |
| C50 | C49 | H88 | 109.3° | 110.1° |
| C49 | C50 | O11 | 119.6° | 119.3° |
| C49 | C50 | N10 | 117.4° | 121.4° |
| C51 | C49 | H88 | 109.3° | 108.6° |
| C49 | C51 | C52 | 109.9° | 109.5° |
| C49 | C51 | C53 | 109.9° | 109.4° |
| C49 | C51 | H89 | 108.5° | 109.5° |
| O11 | C50 | N10 | 122.8° | 119.3° |
| C52 | C51 | C53 | 110.9° | 109.5° |
| C52 | C51 | H89 | 108.7° | 109.5° |
| C51 | C52 | H90 | 109.5° | 109.5° |
| C51 | C52 | H91 | 109.5° | 109.5° |
| C51 | C52 | H92 | 109.5° | 109.5° |
| C53 | C51 | H89 | 108.9° | 109.5° |
| C51 | C53 | H93 | 109.5° | 109.5° |
| C51 | C53 | H94 | 109.5° | 109.4° |
| C51 | C53 | H95 | 109.5° | 109.5° |
| H90 | C52 | H91 | 109.4° | 109.5° |
| H90 | C52 | H92 | 109.4° | 109.4° |
| H91 | C52 | H92 | 109.5° | 109.5° |
| H93 | C53 | H94 | 109.5° | 109.5° |
| H93 | C53 | H95 | 109.4° | 109.5° |
| H94 | C53 | H95 | 109.5° | 109.4° |
| C54 | N10 | C55 | 112.9° | 120.6° |
| N10 | C54 | H96 | 109.5° | 109.5° |
| N10 | C54 | H97 | 109.5° | 109.5° |
| N10 | C54 | H98 | 109.5° | 109.5° |
| C54 | N10 | C50 | 125.9° | 123.6° |
| N10 | C55 | C56 | 111.7° | 109.5° |
| N10 | C55 | C60 | 112.8° | 109.5° |
| N10 | C55 | H99 | 107.8° | 109.2° |
| C55 | N10 | C50 | 119.7° | 115.8° |
| H96 | C54 | H97 | 109.5° | 109.5° |
| H96 | C54 | H98 | 109.4° | 109.4° |
| H97 | C54 | H98 | 109.5° | 109.4° |
| C56 | C55 | C60 | 110.4° | 110.0° |
| C56 | C55 | H99 | 106.8° | 109.0° |
| C55 | C56 | C57 | 118.9° | 109.5° |
| C55 | C56 | H100 | 107.0° | 109.4° |
| C55 | C56 | H101 | 107.1° | 109.5° |
| C60 | C55 | H99 | 107.1° | 109.5° |
| C55 | C60 | O12 | 120.3° | 119.9° |
| C55 | C60 | N11 | 113.6° | 119.9° |
| C57 | C56 | H100 | 107.1° | 109.5° |
| C57 | C56 | H101 | 107.1° | 109.5° |
| C56 | C57 | C58 | 109.8° | 109.5° |
| C56 | C57 | C59 | 111.6° | 109.5° |
| C56 | C57 | H102 | 107.9° | 109.5° |
| H100 | C56 | H101 | 109.5° | 109.5° |
| C58 | C57 | C59 | 111.3° | 109.5° |
| C58 | C57 | H102 | 108.0° | 109.5° |
| C57 | C58 | H103 | 109.5° | 109.5° |
| C57 | C58 | H104 | 109.5° | 109.5° |
| C57 | C58 | H105 | 109.5° | 109.5° |
| C59 | C57 | H102 | 108.2° | 109.5° |
| C57 | C59 | H106 | 109.5° | 109.5° |
| C57 | C59 | H107 | 109.5° | 109.5° |
| C57 | C59 | H108 | 109.5° | 109.4° |
| H103 | C58 | H104 | 109.5° | 109.4° |
| H103 | C58 | H105 | 109.4° | 109.5° |
| H104 | C58 | H105 | 109.5° | 109.5° |
| H106 | C59 | H107 | 109.5° | 109.5° |
| H106 | C59 | H108 | 109.5° | 109.4° |
| H107 | C59 | H108 | 109.4° | 109.5° |
| O12 | C60 | N11 | 122.3° | 120.3° |
| C61 | N11 | H109 | 119.0° | 121.4° |
| N11 | C61 | C62 | 109.8° | 109.2° |
| N11 | C61 | C63 | 109.8° | 109.7° |
| N11 | C61 | H110 | 109.9° | 109.6° |
| C61 | N11 | C60 | 122.0° | 115.8° |
| H109 | N11 | C60 | 119.0° | 122.8° |
| C62 | C61 | C63 | 109.7° | 109.9° |
| C62 | C61 | H110 | 109.0° | 109.3° |
| C61 | C62 | O13 | 119.8° | 119.4° |
| C61 | C62 | N1 | 113.8° | 120.5° |
| C63 | C61 | H110 | 108.7° | 109.2° |
| C61 | C63 | H111 | 109.5° | 109.5° |
| C61 | C63 | H112 | 109.4° | 109.4° |
| C61 | C63 | H113 | 109.5° | 109.5° |
| O13 | C62 | N1 | 122.9° | 120.0° |
| H111 | C63 | H112 | 109.5° | 109.5° |
| H111 | C63 | H113 | 109.5° | 109.4° |
| H112 | C63 | H113 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C62 | 180.0° | 179.6° |
| N1 | C1 | C2 | C3 | 121.9° | 119.0° |
| N1 | C1 | C2 | H2 | 119.4° | 118.9° |
| N1 | C1 | C3 | H2 | 120.0° | 119.8° |
| N1 | C1 | C2 | H3 | 180.0° | 47.5° |
| N1 | C1 | C2 | H4 | 60.0° | 167.6° |
| N1 | C1 | C2 | H5 | 60.0° | 72.4° |
| N1 | C1 | C3 | O1 | 42.3° | 34.8° |
| C1 | N1 | C62 | C61 | 178.1° | 176.2° |
| C1 | N1 | C62 | O13 | 19.2° | 4.0° |
| N1 | C1 | C3 | N2 | 135.3° | 145.1° |
| H1 | N1 | C1 | C2 | 28.6° | 80.3° |
| H1 | N1 | C1 | C3 | 93.1° | 39.2° |
| H1 | N1 | C1 | H2 | 147.4° | 160.2° |
| H1 | N1 | C62 | C61 | 2.0° | 4.2° |
| H1 | N1 | C62 | O13 | 160.8° | 175.6° |
| C2 | C1 | C3 | H2 | 118.5° | 121.4° |
| C1 | C2 | H3 | H4 | 120.0° | 120.0° |
| C1 | C2 | H3 | H5 | 120.0° | 119.9° |
| C1 | C2 | H4 | H5 | 120.0° | 120.0° |
| C2 | C1 | C3 | O1 | 79.2° | 84.0° |
| C2 | C1 | N1 | C62 | 151.4° | 99.3° |
| C2 | C1 | C3 | N2 | 103.2° | 96.2° |
| C3 | C1 | C2 | H3 | 58.1° | 166.6° |
| C3 | C1 | C2 | H4 | 61.9° | 73.4° |
| C3 | C1 | C2 | H5 | 178.1° | 46.7° |
| C1 | C3 | O1 | N2 | 177.4° | 179.9° |
| C1 | C3 | N2 | C4 | 1.8° | 170.6° |
| C1 | C3 | N2 | C5 | 179.0° | 9.8° |
| C3 | C1 | N1 | C62 | 86.9° | 141.3° |
| H2 | C1 | C2 | H3 | 60.5° | 71.4° |
| H2 | C1 | C2 | H4 | 179.5° | 48.7° |
| H2 | C1 | C2 | H5 | 59.5° | 168.7° |
| H2 | C1 | C3 | O1 | 162.3° | 154.6° |
| H2 | C1 | N1 | C62 | 32.6° | 20.3° |
| H2 | C1 | C3 | N2 | 15.3° | 25.3° |
| H3 | C2 | H4 | H5 | 120.0° | 120.0° |
| O1 | C3 | N2 | C4 | 179.4° | 9.2° |
| O1 | C3 | N2 | C5 | 3.4° | 170.4° |
| C4 | N2 | C5 | C3 | 177.5° | 179.6° |
| N2 | C4 | H6 | H7 | 120.0° | 120.0° |
| N2 | C4 | H6 | H8 | 120.0° | 120.1° |
| N2 | C4 | H7 | H8 | 120.0° | 120.1° |
| C4 | N2 | C5 | C6 | 70.0° | 33.9° |
| C4 | N2 | C5 | C10 | 52.4° | 84.9° |
| C4 | N2 | C5 | H9 | 171.7° | 153.1° |
| C5 | N2 | C4 | H6 | 180.0° | 179.5° |
| C5 | N2 | C4 | H7 | 60.0° | 59.6° |
| C5 | N2 | C4 | H8 | 60.0° | 60.4° |
| N2 | C5 | C6 | C10 | 122.9° | 118.7° |
| N2 | C5 | C6 | H9 | 119.0° | 119.6° |
| N2 | C5 | C10 | H9 | 119.7° | 121.2° |
| N2 | C5 | C6 | C7 | 63.7° | 65.0° |
| N2 | C5 | C6 | H10 | 57.3° | 55.0° |
| N2 | C5 | C6 | H11 | 175.3° | 175.0° |
| N2 | C5 | C10 | O2 | 107.2° | 33.5° |
| N2 | C5 | C10 | N3 | 76.2° | 148.0° |
| H6 | C4 | H7 | H8 | 120.0° | 120.0° |
| H6 | C4 | N2 | C3 | 2.7° | 0.1° |
| H7 | C4 | N2 | C3 | 122.7° | 120.0° |
| H8 | C4 | N2 | C3 | 117.3° | 120.0° |
| C6 | C5 | C10 | H9 | 117.9° | 120.6° |
| C5 | C6 | C7 | H10 | 121.0° | 120.0° |
| C5 | C6 | C7 | H11 | 121.0° | 120.0° |
| C5 | C6 | H10 | H11 | 116.9° | 120.1° |
| C5 | C6 | C7 | C8 | 174.1° | 175.0° |
| C5 | C6 | C7 | C9 | 63.7° | 65.0° |
| C5 | C6 | C7 | H12 | 55.3° | 55.0° |
| C6 | C5 | C10 | O2 | 15.1° | 84.7° |
| C6 | C5 | N2 | C3 | 107.5° | 146.5° |
| C6 | C5 | C10 | N3 | 161.5° | 93.7° |
| C10 | C5 | C6 | C7 | 173.3° | 176.3° |
| C10 | C5 | C6 | H10 | 65.7° | 63.8° |
| C10 | C5 | C6 | H11 | 52.4° | 56.3° |
| C5 | C10 | O2 | N3 | 176.5° | 178.5° |
| C5 | C10 | N3 | C11 | 4.3° | 16.3° |
| C5 | C10 | N3 | C12 | 179.8° | 163.5° |
| C10 | C5 | N2 | C3 | 130.1° | 94.7° |
| H9 | C5 | C6 | C7 | 55.2° | 54.6° |
| H9 | C5 | C6 | H10 | 176.2° | 174.6° |
| H9 | C5 | C6 | H11 | 65.8° | 65.4° |
| H9 | C5 | C10 | O2 | 133.1° | 154.7° |
| H9 | C5 | N2 | C3 | 10.8° | 27.3° |
| H9 | C5 | C10 | N3 | 43.6° | 26.8° |
| C7 | C6 | H10 | H11 | 116.9° | 119.9° |
| C6 | C7 | C8 | C9 | 121.9° | 120.0° |
| C6 | C7 | C8 | H12 | 118.6° | 119.9° |
| C6 | C7 | C9 | H12 | 119.0° | 120.0° |
| C6 | C7 | C8 | H13 | 180.0° | 60.0° |
| C6 | C7 | C8 | H14 | 60.0° | 180.0° |
| C6 | C7 | C8 | H15 | 60.0° | 60.0° |
| C6 | C7 | C9 | H16 | 180.0° | 60.0° |
| C6 | C7 | C9 | H17 | 60.0° | 60.0° |
| C6 | C7 | C9 | H18 | 60.0° | 180.0° |
| H10 | C6 | C7 | C8 | 53.1° | 55.0° |
| H10 | C6 | C7 | C9 | 175.2° | 175.0° |
| H10 | C6 | C7 | H12 | 65.7° | 65.0° |
| H11 | C6 | C7 | C8 | 64.9° | 65.0° |
| H11 | C6 | C7 | C9 | 57.2° | 55.0° |
| H11 | C6 | C7 | H12 | 176.3° | 175.0° |
| C8 | C7 | C9 | H12 | 119.7° | 120.0° |
| C7 | C8 | H13 | H14 | 120.0° | 119.9° |
| C7 | C8 | H13 | H15 | 120.0° | 120.0° |
| C7 | C8 | H14 | H15 | 120.0° | 120.0° |
| C8 | C7 | C9 | H16 | 58.6° | 60.0° |
| C8 | C7 | C9 | H17 | 61.3° | 180.0° |
| C8 | C7 | C9 | H18 | 178.7° | 60.0° |
| C9 | C7 | C8 | H13 | 58.1° | 60.0° |
| C9 | C7 | C8 | H14 | 178.1° | 60.0° |
| C9 | C7 | C8 | H15 | 61.9° | 180.0° |
| C7 | C9 | H16 | H17 | 120.0° | 120.0° |
| C7 | C9 | H16 | H18 | 120.0° | 120.0° |
| C7 | C9 | H17 | H18 | 120.0° | 120.0° |
| H12 | C7 | C8 | H13 | 61.4° | 180.0° |
| H12 | C7 | C8 | H14 | 58.6° | 60.1° |
| H12 | C7 | C8 | H15 | 178.6° | 60.0° |
| H12 | C7 | C9 | H16 | 61.0° | 180.0° |
| H12 | C7 | C9 | H17 | 179.0° | 60.0° |
| H12 | C7 | C9 | H18 | 59.0° | 60.0° |
| H13 | C8 | H14 | H15 | 120.0° | 120.1° |
| H16 | C9 | H17 | H18 | 120.0° | 120.0° |
| O2 | C10 | N3 | C11 | 179.2° | 162.2° |
| O2 | C10 | N3 | C12 | 3.7° | 18.1° |
| C11 | N3 | C12 | C10 | 175.8° | 179.8° |
| N3 | C11 | H19 | H20 | 120.0° | 120.1° |
| N3 | C11 | H19 | H21 | 120.0° | 119.9° |
| N3 | C11 | H20 | H21 | 120.0° | 120.0° |
| C11 | N3 | C12 | C13 | 52.4° | 119.4° |
| C11 | N3 | C12 | C17 | 70.7° | 0.9° |
| C11 | N3 | C12 | H22 | 170.4° | 122.3° |
| C12 | N3 | C11 | H19 | 180.0° | 179.7° |
| C12 | N3 | C11 | H20 | 60.0° | 60.2° |
| C12 | N3 | C11 | H21 | 60.0° | 59.8° |
| N3 | C12 | C13 | C17 | 124.0° | 119.8° |
| N3 | C12 | C13 | H22 | 118.6° | 118.6° |
| N3 | C12 | C17 | H22 | 119.4° | 121.4° |
| N3 | C12 | C13 | C14 | 65.7° | 80.6° |
| N3 | C12 | C13 | H23 | 55.8° | 39.4° |
| N3 | C12 | C13 | H24 | 172.9° | 159.4° |
| N3 | C12 | C17 | O3 | 0.3° | 64.6° |
| N3 | C12 | C17 | N4 | 164.4° | 117.3° |
| H19 | C11 | H20 | H21 | 120.0° | 120.0° |
| H19 | C11 | N3 | C10 | 4.4° | 0.0° |
| H20 | C11 | N3 | C10 | 124.4° | 120.0° |
| H21 | C11 | N3 | C10 | 115.6° | 120.0° |
| C13 | C12 | C17 | H22 | 117.4° | 119.5° |
| C12 | C13 | C14 | H23 | 121.5° | 120.1° |
| C12 | C13 | C14 | H24 | 121.4° | 120.0° |
| C12 | C13 | H23 | H24 | 115.4° | 119.9° |
| C12 | C13 | C14 | C15 | 173.5° | 107.5° |
| C12 | C13 | C14 | C16 | 53.6° | 132.4° |
| C12 | C13 | C14 | H25 | 69.0° | 12.4° |
| C13 | C12 | C17 | O3 | 123.5° | 54.5° |
| C13 | C12 | N3 | C10 | 123.4° | 60.4° |
| C13 | C12 | C17 | N4 | 72.3° | 123.6° |
| C17 | C12 | C13 | C14 | 170.3° | 159.6° |
| C17 | C12 | C13 | H23 | 68.2° | 80.3° |
| C17 | C12 | C13 | H24 | 48.9° | 39.6° |
| C12 | C17 | O3 | N4 | 163.2° | 178.2° |
| C12 | C17 | N4 | C18 | 11.0° | 0.4° |
| C12 | C17 | N4 | C19 | 177.9° | 179.5° |
| C17 | C12 | N3 | C10 | 113.5° | 178.9° |
| H22 | C12 | C13 | C14 | 52.9° | 38.0° |
| H22 | C12 | C13 | H23 | 174.4° | 158.0° |
| H22 | C12 | C13 | H24 | 68.5° | 82.1° |
| H22 | C12 | C17 | O3 | 119.1° | 174.0° |
| H22 | C12 | N3 | C10 | 5.4° | 57.9° |
| H22 | C12 | C17 | N4 | 45.1° | 4.1° |
| C14 | C13 | H23 | H24 | 115.4° | 120.0° |
| C13 | C14 | C15 | C16 | 123.0° | 120.0° |
| C13 | C14 | C15 | H25 | 117.4° | 119.9° |
| C13 | C14 | C16 | H25 | 122.4° | 119.9° |
| C13 | C14 | C15 | H26 | 180.0° | 61.6° |
| C13 | C14 | C15 | H27 | 60.0° | 58.4° |
| C13 | C14 | C15 | H28 | 60.0° | 178.4° |
| C13 | C14 | C16 | H29 | 180.0° | 50.4° |
| C13 | C14 | C16 | H30 | 60.0° | 170.4° |
| C13 | C14 | C16 | H31 | 60.0° | 69.6° |
| H23 | C13 | C14 | C15 | 65.1° | 12.5° |
| H23 | C13 | C14 | C16 | 175.0° | 107.5° |
| H23 | C13 | C14 | H25 | 52.5° | 132.5° |
| H24 | C13 | C14 | C15 | 52.0° | 132.5° |
| H24 | C13 | C14 | C16 | 67.9° | 12.4° |
| H24 | C13 | C14 | H25 | 169.6° | 107.6° |
| C15 | C14 | C16 | H25 | 119.6° | 120.0° |
| C14 | C15 | H26 | H27 | 120.0° | 120.0° |
| C14 | C15 | H26 | H28 | 120.0° | 120.0° |
| C14 | C15 | H27 | H28 | 120.0° | 120.0° |
| C15 | C14 | C16 | H29 | 62.0° | 170.4° |
| C15 | C14 | C16 | H30 | 58.0° | 69.6° |
| C15 | C14 | C16 | H31 | 178.0° | 50.4° |
| C16 | C14 | C15 | H26 | 57.0° | 178.4° |
| C16 | C14 | C15 | H27 | 177.0° | 61.7° |
| C16 | C14 | C15 | H28 | 62.9° | 58.4° |
| C14 | C16 | H29 | H30 | 120.0° | 120.0° |
| C14 | C16 | H29 | H31 | 120.0° | 120.0° |
| C14 | C16 | H30 | H31 | 120.0° | 120.0° |
| H25 | C14 | C15 | H26 | 62.6° | 58.4° |
| H25 | C14 | C15 | H27 | 57.4° | 178.3° |
| H25 | C14 | C15 | H28 | 177.4° | 61.6° |
| H25 | C14 | C16 | H29 | 57.6° | 69.6° |
| H25 | C14 | C16 | H30 | 177.6° | 50.5° |
| H25 | C14 | C16 | H31 | 62.4° | 170.4° |
| H26 | C15 | H27 | H28 | 120.0° | 120.0° |
| H29 | C16 | H30 | H31 | 120.0° | 120.0° |
| O3 | C17 | N4 | C18 | 152.6° | 177.7° |
| O3 | C17 | N4 | C19 | 18.5° | 2.4° |
| C18 | N4 | C19 | C17 | 172.1° | 179.9° |
| N4 | C18 | H32 | H33 | 120.0° | 120.0° |
| N4 | C18 | H32 | H34 | 120.0° | 120.1° |
| N4 | C18 | H33 | H34 | 120.0° | 120.0° |
| C18 | N4 | C19 | C20 | 56.9° | 15.1° |
| C18 | N4 | C19 | C23 | 66.7° | 103.5° |
| C18 | N4 | C19 | H35 | 175.5° | 133.1° |
| C19 | N4 | C18 | H32 | 180.0° | 174.5° |
| C19 | N4 | C18 | H33 | 60.0° | 54.6° |
| C19 | N4 | C18 | H34 | 60.0° | 65.4° |
| N4 | C19 | C20 | C23 | 123.6° | 119.0° |
| N4 | C19 | C20 | H35 | 119.4° | 118.5° |
| N4 | C19 | C23 | H35 | 118.3° | 121.5° |
| N4 | C19 | C20 | C21 | 169.3° | 168.1° |
| N4 | C19 | C20 | C22 | 48.6° | 71.9° |
| N4 | C19 | C20 | H36 | 71.2° | 48.1° |
| N4 | C19 | C23 | O4 | 95.0° | 69.9° |
| N4 | C19 | C23 | N5 | 77.2° | 110.7° |
| H32 | C18 | H33 | H34 | 120.0° | 120.0° |
| H32 | C18 | N4 | C17 | 8.5° | 5.5° |
| H33 | C18 | N4 | C17 | 128.5° | 125.5° |
| H34 | C18 | N4 | C17 | 111.5° | 114.5° |
| C20 | C19 | C23 | H35 | 116.7° | 120.3° |
| C19 | C20 | C21 | C22 | 121.8° | 120.0° |
| C19 | C20 | C21 | H36 | 119.2° | 119.9° |
| C19 | C20 | C22 | H36 | 119.7° | 119.9° |
| C19 | C20 | C21 | H37 | 180.0° | 60.0° |
| C19 | C20 | C21 | H38 | 60.0° | 180.0° |
| C19 | C20 | C21 | H39 | 60.0° | 60.0° |
| C19 | C20 | C22 | H40 | 180.0° | 65.0° |
| C19 | C20 | C22 | H41 | 60.0° | 175.0° |
| C19 | C20 | C22 | H42 | 60.0° | 55.0° |
| C20 | C19 | C23 | O4 | 29.9° | 48.3° |
| C20 | C19 | N4 | C17 | 115.3° | 164.9° |
| C20 | C19 | C23 | N5 | 157.9° | 131.2° |
| C23 | C19 | C20 | C21 | 67.1° | 49.1° |
| C23 | C19 | C20 | C22 | 172.2° | 169.1° |
| C23 | C19 | C20 | H36 | 52.3° | 70.8° |
| C19 | C23 | O4 | N5 | 171.8° | 179.5° |
| C19 | C23 | N5 | C24 | 17.0° | 6.2° |
| C19 | C23 | N5 | C25 | 179.7° | 172.4° |
| C23 | C19 | N4 | C17 | 121.2° | 76.5° |
| H35 | C19 | C20 | C21 | 49.9° | 73.4° |
| H35 | C19 | C20 | C22 | 70.8° | 46.6° |
| H35 | C19 | C20 | H36 | 169.4° | 166.6° |
| H35 | C19 | C23 | O4 | 146.7° | 168.6° |
| H35 | C19 | N4 | C17 | 3.4° | 46.8° |
| H35 | C19 | C23 | N5 | 41.1° | 10.9° |
| C21 | C20 | C22 | H36 | 119.2° | 120.1° |
| C20 | C21 | H37 | H38 | 120.0° | 119.9° |
| C20 | C21 | H37 | H39 | 120.0° | 120.0° |
| C20 | C21 | H38 | H39 | 120.0° | 120.0° |
| C21 | C20 | C22 | H40 | 58.8° | 175.0° |
| C21 | C20 | C22 | H41 | 61.1° | 55.0° |
| C21 | C20 | C22 | H42 | 178.8° | 65.0° |
| C22 | C20 | C21 | H37 | 58.2° | 59.9° |
| C22 | C20 | C21 | H38 | 178.2° | 60.0° |
| C22 | C20 | C21 | H39 | 61.8° | 180.0° |
| C20 | C22 | H40 | H41 | 120.0° | 120.0° |
| C20 | C22 | H40 | H42 | 120.0° | 120.0° |
| C20 | C22 | H41 | H42 | 120.0° | 120.0° |
| H36 | C20 | C21 | H37 | 60.8° | 180.0° |
| H36 | C20 | C21 | H38 | 59.2° | 60.1° |
| H36 | C20 | C21 | H39 | 179.1° | 59.9° |
| H36 | C20 | C22 | H40 | 60.4° | 54.9° |
| H36 | C20 | C22 | H41 | 179.7° | 65.1° |
| H36 | C20 | C22 | H42 | 59.7° | 175.0° |
| H37 | C21 | H38 | H39 | 120.0° | 120.0° |
| H40 | C22 | H41 | H42 | 120.0° | 120.0° |
| O4 | C23 | N5 | C24 | 171.0° | 173.2° |
| O4 | C23 | N5 | C25 | 7.7° | 8.2° |
| C24 | N5 | C25 | C23 | 164.2° | 178.6° |
| N5 | C24 | H43 | H44 | 120.0° | 120.0° |
| N5 | C24 | H43 | H45 | 120.0° | 120.0° |
| N5 | C24 | H44 | H45 | 120.0° | 120.0° |
| C24 | N5 | C25 | C26 | 61.3° | 32.4° |
| C24 | N5 | C25 | C27 | 65.5° | 89.1° |
| C24 | N5 | C25 | H46 | 178.8° | 152.1° |
| C25 | N5 | C24 | H43 | 180.0° | 178.5° |
| C25 | N5 | C24 | H44 | 60.0° | 61.5° |
| C25 | N5 | C24 | H45 | 60.0° | 58.5° |
| N5 | C25 | C26 | C27 | 128.1° | 120.1° |
| N5 | C25 | C26 | H46 | 118.0° | 119.7° |
| N5 | C25 | C27 | H46 | 116.2° | 118.8° |
| N5 | C25 | C26 | O5 | 3.2° | 38.1° |
| N5 | C25 | C27 | O6 | 72.5° | 37.0° |
| N5 | C25 | C27 | C28 | 49.3° | 83.0° |
| N5 | C25 | C27 | H47 | 168.5° | 157.0° |
| N5 | C25 | C26 | N6 | 173.9° | 143.4° |
| H43 | C24 | H44 | H45 | 120.0° | 120.0° |
| H43 | C24 | N5 | C23 | 16.2° | 0.0° |
| H44 | C24 | N5 | C23 | 103.8° | 120.0° |
| H45 | C24 | N5 | C23 | 136.2° | 120.0° |
| C26 | C25 | C27 | H46 | 113.9° | 120.2° |
| C25 | C26 | O5 | N6 | 170.1° | 178.5° |
| C26 | C25 | C27 | O6 | 57.4° | 84.0° |
| C26 | C25 | C27 | C28 | 179.2° | 156.0° |
| C26 | C25 | C27 | H47 | 61.6° | 36.0° |
| C25 | C26 | N6 | C34 | 178.2° | 170.7° |
| C25 | C26 | N6 | H60 | 1.8° | 11.0° |
| C26 | C25 | N5 | C23 | 103.0° | 149.0° |
| C27 | C25 | C26 | O5 | 131.3° | 158.2° |
| C25 | C27 | O6 | C28 | 123.8° | 120.0° |
| C25 | C27 | O6 | H47 | 118.0° | 120.0° |
| C25 | C27 | C28 | H47 | 119.3° | 120.0° |
| C25 | C27 | O6 | H48 | 170.9° | 60.0° |
| C25 | C27 | C28 | C29 | 55.2° | 56.6° |
| C25 | C27 | C28 | C30 | 176.8° | 176.6° |
| C25 | C27 | C28 | H49 | 64.5° | 63.4° |
| C27 | C25 | N5 | C23 | 130.2° | 89.6° |
| C27 | C25 | C26 | N6 | 58.0° | 23.3° |
| H46 | C25 | C26 | O5 | 114.8° | 81.5° |
| H46 | C25 | C27 | O6 | 171.3° | 155.8° |
| H46 | C25 | C27 | C28 | 66.9° | 35.8° |
| H46 | C25 | C27 | H47 | 52.3° | 84.2° |
| H46 | C25 | N5 | C23 | 14.5° | 29.3° |
| H46 | C25 | C26 | N6 | 56.0° | 97.0° |
| O5 | C26 | N6 | C34 | 7.6° | 10.8° |
| O5 | C26 | N6 | H60 | 172.4° | 167.5° |
| O6 | C27 | C28 | H47 | 119.1° | 120.0° |
| O6 | C27 | C28 | C29 | 176.9° | 176.6° |
| O6 | C27 | C28 | C30 | 61.6° | 63.4° |
| O6 | C27 | C28 | H49 | 57.1° | 56.6° |
| C28 | C27 | O6 | H48 | 65.3° | 60.0° |
| C27 | C28 | C29 | C30 | 121.3° | 120.0° |
| C27 | C28 | C29 | H49 | 119.7° | 120.0° |
| C27 | C28 | C30 | H49 | 118.7° | 120.0° |
| C27 | C28 | C29 | H50 | 180.0° | 55.1° |
| C27 | C28 | C29 | H51 | 60.0° | 64.9° |
| C27 | C28 | C29 | H52 | 60.0° | 175.2° |
| C27 | C28 | C30 | C31 | 62.6° | 141.8° |
| C27 | C28 | C30 | H53 | 176.6° | 98.3° |
| C27 | C28 | C30 | H54 | 58.2° | 21.7° |
| H47 | C27 | O6 | H48 | 52.9° | 180.0° |
| H47 | C27 | C28 | C29 | 64.0° | 63.4° |
| H47 | C27 | C28 | C30 | 57.5° | 56.6° |
| H47 | C27 | C28 | H49 | 176.3° | 176.6° |
| C29 | C28 | C30 | H49 | 118.8° | 119.9° |
| C28 | C29 | H50 | H51 | 120.0° | 120.0° |
| C28 | C29 | H50 | H52 | 120.0° | 120.0° |
| C28 | C29 | H51 | H52 | 120.0° | 120.0° |
| C29 | C28 | C30 | C31 | 59.9° | 21.7° |
| C29 | C28 | C30 | H53 | 60.9° | 141.7° |
| C29 | C28 | C30 | H54 | 179.3° | 98.3° |
| C30 | C28 | C29 | H50 | 58.6° | 64.9° |
| C30 | C28 | C29 | H51 | 61.4° | 175.1° |
| C30 | C28 | C29 | H52 | 178.7° | 55.1° |
| C28 | C30 | C31 | H53 | 120.8° | 120.0° |
| C28 | C30 | C31 | H54 | 120.8° | 120.0° |
| C28 | C30 | H53 | H54 | 117.5° | 120.0° |
| C28 | C30 | C31 | C32 | 122.9° | 120.6° |
| C28 | C30 | C31 | H55 | 57.1° | 59.4° |
| H49 | C28 | C29 | H50 | 60.3° | 175.1° |
| H49 | C28 | C29 | H51 | 179.7° | 55.1° |
| H49 | C28 | C29 | H52 | 59.7° | 64.8° |
| H49 | C28 | C30 | C31 | 178.8° | 98.2° |
| H49 | C28 | C30 | H53 | 58.0° | 21.8° |
| H49 | C28 | C30 | H54 | 60.4° | 141.7° |
| H50 | C29 | H51 | H52 | 120.0° | 120.0° |
| C31 | C30 | H53 | H54 | 117.5° | 120.0° |
| C30 | C31 | C32 | H55 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 179.8° | 171.9° |
| C30 | C31 | C32 | H56 | 0.2° | 8.1° |
| H53 | C30 | C31 | C32 | 116.3° | 0.6° |
| H53 | C30 | C31 | H55 | 63.7° | 179.4° |
| H54 | C30 | C31 | C32 | 2.1° | 119.4° |
| H54 | C30 | C31 | H55 | 177.9° | 60.7° |
| C31 | C32 | C33 | H56 | 180.0° | 180.0° |
| C31 | C32 | C33 | H57 | 180.0° | 175.2° |
| C31 | C32 | C33 | H58 | 60.0° | 64.8° |
| C31 | C32 | C33 | H59 | 60.0° | 55.2° |
| H55 | C31 | C32 | C33 | 0.2° | 8.1° |
| H55 | C31 | C32 | H56 | 179.8° | 171.9° |
| C32 | C33 | H57 | H58 | 120.0° | 120.0° |
| C32 | C33 | H57 | H59 | 120.0° | 120.0° |
| C32 | C33 | H58 | H59 | 120.0° | 120.1° |
| H56 | C32 | C33 | H57 | 0.1° | 4.8° |
| H56 | C32 | C33 | H58 | 120.0° | 115.1° |
| H56 | C32 | C33 | H59 | 120.0° | 124.8° |
| H57 | C33 | H58 | H59 | 120.0° | 120.0° |
| C34 | N6 | H60 | C26 | 180.0° | 178.2° |
| N6 | C34 | C35 | C36 | 120.0° | 118.6° |
| N6 | C34 | C35 | H61 | 121.2° | 121.7° |
| N6 | C34 | C36 | H61 | 121.6° | 120.0° |
| N6 | C34 | C35 | O7 | 94.6° | 84.5° |
| N6 | C34 | C36 | C37 | 49.7° | 179.1° |
| N6 | C34 | C36 | H62 | 71.2° | 59.0° |
| N6 | C34 | C36 | H63 | 170.6° | 60.9° |
| N6 | C34 | C35 | N7 | 93.9° | 95.8° |
| H60 | N6 | C34 | C35 | 62.8° | 15.1° |
| H60 | N6 | C34 | C36 | 55.4° | 103.1° |
| H60 | N6 | C34 | H61 | 176.5° | 137.6° |
| C35 | C34 | C36 | H61 | 118.8° | 121.4° |
| C34 | C35 | O7 | N7 | 171.3° | 179.7° |
| C35 | C34 | C36 | C37 | 169.2° | 62.4° |
| C35 | C34 | C36 | H62 | 48.3° | 177.6° |
| C35 | C34 | C36 | H63 | 69.9° | 57.7° |
| C34 | C35 | N7 | C39 | 179.6° | 175.5° |
| C34 | C35 | N7 | C41 | 7.1° | 4.9° |
| C35 | C34 | N6 | C26 | 117.2° | 166.6° |
| C36 | C34 | C35 | O7 | 25.4° | 34.1° |
| C34 | C36 | C37 | H62 | 120.9° | 120.0° |
| C34 | C36 | C37 | H63 | 120.9° | 120.0° |
| C34 | C36 | H62 | H63 | 117.1° | 120.0° |
| C34 | C36 | C37 | C38 | 170.1° | 175.0° |
| C34 | C36 | C37 | H64 | 69.6° | 55.0° |
| C34 | C36 | C37 | H65 | 49.9° | 65.0° |
| C36 | C34 | N6 | C26 | 124.6° | 75.2° |
| C36 | C34 | C35 | N7 | 146.1° | 145.6° |
| H61 | C34 | C35 | O7 | 144.2° | 153.8° |
| H61 | C34 | C36 | C37 | 71.9° | 59.0° |
| H61 | C34 | C36 | H62 | 167.1° | 61.0° |
| H61 | C34 | C36 | H63 | 49.0° | 179.1° |
| H61 | C34 | N6 | C26 | 3.5° | 44.0° |
| H61 | C34 | C35 | N7 | 27.3° | 25.9° |
| O7 | C35 | N7 | C39 | 9.2° | 4.2° |
| O7 | C35 | N7 | C41 | 178.4° | 175.4° |
| C37 | C36 | H62 | H63 | 117.1° | 120.0° |
| C36 | C37 | C38 | H64 | 120.3° | 120.0° |
| C36 | C37 | C38 | H65 | 120.3° | 120.0° |
| C36 | C37 | H64 | H65 | 119.2° | 120.0° |
| C36 | C37 | C38 | O8 | 61.7° | 180.0° |
| C36 | C37 | C38 | H66 | 177.7° | 60.0° |
| C36 | C37 | C38 | H67 | 58.9° | 60.0° |
| H62 | C36 | C37 | C38 | 49.1° | 64.9° |
| H62 | C36 | C37 | H64 | 169.4° | 175.1° |
| H62 | C36 | C37 | H65 | 71.1° | 55.1° |
| H63 | C36 | C37 | C38 | 69.0° | 55.0° |
| H63 | C36 | C37 | H64 | 51.3° | 65.0° |
| H63 | C36 | C37 | H65 | 170.7° | 175.0° |
| C38 | C37 | H64 | H65 | 119.2° | 120.0° |
| C37 | C38 | O8 | H66 | 120.6° | 120.0° |
| C37 | C38 | O8 | H67 | 120.6° | 120.0° |
| C37 | C38 | H66 | H67 | 118.2° | 120.0° |
| C37 | C38 | O8 | H68 | 180.0° | 179.9° |
| H64 | C37 | C38 | O8 | 58.5° | 60.0° |
| H64 | C37 | C38 | H66 | 62.0° | 180.0° |
| H64 | C37 | C38 | H67 | 179.1° | 60.0° |
| H65 | C37 | C38 | O8 | 178.0° | 60.0° |
| H65 | C37 | C38 | H66 | 57.4° | 60.0° |
| H65 | C37 | C38 | H67 | 61.4° | NaN° |
| O8 | C38 | H66 | H67 | 118.2° | 120.0° |
| H66 | C38 | O8 | H68 | 59.4° | 59.9° |
| H67 | C38 | O8 | H68 | 59.4° | 60.0° |
| C39 | N7 | C41 | C35 | 172.8° | 179.5° |
| N7 | C39 | C40 | H69 | 120.5° | 118.0° |
| N7 | C39 | C40 | H70 | 120.5° | 122.8° |
| N7 | C39 | H69 | H70 | 118.5° | 118.8° |
| N7 | C39 | C40 | O9 | 118.2° | 86.5° |
| C39 | N7 | C41 | H71 | 180.0° | 179.5° |
| C39 | N7 | C41 | H72 | 60.0° | 60.5° |
| C39 | N7 | C41 | H73 | 60.0° | 59.5° |
| N7 | C39 | C40 | N8 | 77.7° | 94.9° |
| C41 | N7 | C39 | C40 | 50.2° | 1.3° |
| C41 | N7 | C39 | H69 | 70.3° | 117.3° |
| C41 | N7 | C39 | H70 | 170.7° | 125.2° |
| N7 | C41 | H71 | H72 | 120.0° | 120.0° |
| N7 | C41 | H71 | H73 | 120.0° | 120.0° |
| N7 | C41 | H72 | H73 | 120.0° | 120.0° |
| C40 | C39 | H69 | H70 | 118.6° | 121.4° |
| C39 | C40 | O9 | N8 | 163.3° | 178.6° |
| C39 | C40 | N8 | C42 | 5.5° | 8.8° |
| C39 | C40 | N8 | C43 | 177.8° | 170.1° |
| C40 | C39 | N7 | C35 | 123.5° | 178.3° |
| H69 | C39 | C40 | O9 | 2.2° | 31.5° |
| H69 | C39 | N7 | C35 | 116.0° | 63.1° |
| H69 | C39 | C40 | N8 | 161.8° | 147.0° |
| H70 | C39 | C40 | O9 | 121.3° | 150.7° |
| H70 | C39 | N7 | C35 | 3.0° | 54.4° |
| H70 | C39 | C40 | N8 | 42.8° | 27.9° |
| O9 | C40 | N8 | C42 | 157.9° | 172.6° |
| O9 | C40 | N8 | C43 | 18.8° | 8.5° |
| H71 | C41 | H72 | H73 | 119.9° | 120.0° |
| H71 | C41 | N7 | C35 | 7.2° | 0.0° |
| H72 | C41 | N7 | C35 | 127.2° | 119.9° |
| H73 | C41 | N7 | C35 | 112.8° | 120.0° |
| C42 | N8 | C43 | C40 | 177.1° | 178.9° |
| N8 | C42 | H74 | H75 | 120.0° | 120.0° |
| N8 | C42 | H74 | H76 | 120.0° | 120.1° |
| N8 | C42 | H75 | H76 | 120.0° | 120.0° |
| C42 | N8 | C43 | C44 | 39.6° | 42.2° |
| C42 | N8 | C43 | C48 | 81.4° | 78.8° |
| C42 | N8 | C43 | H77 | 159.6° | 161.7° |
| C43 | N8 | C42 | H74 | 180.0° | 86.2° |
| C43 | N8 | C42 | H75 | 60.0° | 33.7° |
| C43 | N8 | C42 | H76 | 60.0° | 153.7° |
| N8 | C43 | C44 | C48 | 121.9° | 120.3° |
| N8 | C43 | C44 | H77 | 120.5° | 119.1° |
| N8 | C43 | C48 | H77 | 119.5° | 119.1° |
| N8 | C43 | C44 | C45 | 96.5° | 68.0° |
| N8 | C43 | C44 | H78 | 24.9° | 52.0° |
| N8 | C43 | C44 | H79 | 142.0° | 172.1° |
| N8 | C43 | C48 | O10 | 82.1° | 52.5° |
| N8 | C43 | C48 | N9 | 97.1° | 130.1° |
| H74 | C42 | H75 | H76 | 120.0° | 120.0° |
| H74 | C42 | N8 | C40 | 3.1° | 95.0° |
| H75 | C42 | N8 | C40 | 123.1° | 145.1° |
| H76 | C42 | N8 | C40 | 116.9° | 25.1° |
| C44 | C43 | C48 | H77 | 117.6° | 120.5° |
| C43 | C44 | C45 | H78 | 121.4° | 120.0° |
| C43 | C44 | C45 | H79 | 121.5° | 120.0° |
| C43 | C44 | H78 | H79 | 115.4° | 120.0° |
| C43 | C44 | C45 | C46 | 51.0° | 67.9° |
| C43 | C44 | C45 | C47 | 71.7° | 172.2° |
| C43 | C44 | C45 | H80 | 170.0° | 52.2° |
| C44 | C43 | C48 | O10 | 40.8° | 172.9° |
| C44 | C43 | N8 | C40 | 137.6° | 136.6° |
| C44 | C43 | C48 | N9 | 139.9° | 9.8° |
| C48 | C43 | C44 | C45 | 141.6° | 171.7° |
| C48 | C43 | C44 | H78 | 97.0° | 68.3° |
| C48 | C43 | C44 | H79 | 20.1° | 51.7° |
| C43 | C48 | O10 | N9 | 179.2° | 177.3° |
| C43 | C48 | N9 | C49 | 180.0° | 114.5° |
| C43 | C48 | N9 | H87 | 0.0° | 65.8° |
| C48 | C43 | N8 | C40 | 101.4° | 102.4° |
| H77 | C43 | C44 | C45 | 24.0° | 51.1° |
| H77 | C43 | C44 | H78 | 145.5° | 171.1° |
| H77 | C43 | C44 | H79 | 97.4° | 68.9° |
| H77 | C43 | C48 | O10 | 158.4° | 66.6° |
| H77 | C43 | N8 | C40 | 17.5° | 17.2° |
| H77 | C43 | C48 | N9 | 22.3° | 110.8° |
| C45 | C44 | H78 | H79 | 115.3° | 120.0° |
| C44 | C45 | C46 | C47 | 121.5° | 120.0° |
| C44 | C45 | C46 | H80 | 119.1° | 120.0° |
| C44 | C45 | C47 | H80 | 118.3° | 120.0° |
| C44 | C45 | C46 | H81 | 180.0° | 174.6° |
| C44 | C45 | C46 | H82 | 60.0° | 65.4° |
| C44 | C45 | C46 | H83 | 60.0° | 54.6° |
| C44 | C45 | C47 | H84 | 180.0° | 60.0° |
| C44 | C45 | C47 | H85 | 60.0° | 180.0° |
| C44 | C45 | C47 | H86 | 60.0° | 60.0° |
| H78 | C44 | C45 | C46 | 172.5° | 52.1° |
| H78 | C44 | C45 | C47 | 49.8° | 67.9° |
| H78 | C44 | C45 | H80 | 68.6° | 172.2° |
| H79 | C44 | C45 | C46 | 70.5° | 172.1° |
| H79 | C44 | C45 | C47 | 166.9° | 52.1° |
| H79 | C44 | C45 | H80 | 48.5° | 67.9° |
| C46 | C45 | C47 | H80 | 119.2° | 120.0° |
| C45 | C46 | H81 | H82 | 120.0° | 120.0° |
| C45 | C46 | H81 | H83 | 120.0° | 120.0° |
| C45 | C46 | H82 | H83 | 120.0° | 120.0° |
| C46 | C45 | C47 | H84 | 57.4° | 180.0° |
| C46 | C45 | C47 | H85 | 62.5° | 60.0° |
| C46 | C45 | C47 | H86 | 177.5° | 60.0° |
| C47 | C45 | C46 | H81 | 58.5° | 54.6° |
| C47 | C45 | C46 | H82 | 178.5° | 174.6° |
| C47 | C45 | C46 | H83 | 61.5° | 65.4° |
| C45 | C47 | H84 | H85 | 120.0° | 120.0° |
| C45 | C47 | H84 | H86 | 120.1° | 120.0° |
| C45 | C47 | H85 | H86 | 120.0° | 120.0° |
| H80 | C45 | C46 | H81 | 60.9° | 65.4° |
| H80 | C45 | C46 | H82 | 59.1° | 54.7° |
| H80 | C45 | C46 | H83 | 179.1° | 174.6° |
| H80 | C45 | C47 | H84 | 61.8° | 60.0° |
| H80 | C45 | C47 | H85 | 178.2° | 60.0° |
| H80 | C45 | C47 | H86 | 58.3° | 180.0° |
| H81 | C46 | H82 | H83 | 120.0° | 120.0° |
| H84 | C47 | H85 | H86 | 120.0° | 120.0° |
| O10 | C48 | N9 | C49 | 0.8° | 68.2° |
| O10 | C48 | N9 | H87 | 179.2° | 111.4° |
| C49 | N9 | H87 | C48 | 180.0° | 179.7° |
| N9 | C49 | C50 | C51 | 120.5° | 121.9° |
| N9 | C49 | C50 | H88 | 119.9° | 118.9° |
| N9 | C49 | C51 | H88 | 121.6° | 119.2° |
| N9 | C49 | C50 | O11 | 53.0° | 38.2° |
| N9 | C49 | C51 | C52 | 176.2° | 70.3° |
| N9 | C49 | C51 | C53 | 53.9° | 169.7° |
| N9 | C49 | C51 | H89 | 65.1° | 49.7° |
| N9 | C49 | C50 | N10 | 121.7° | 141.6° |
| H87 | N9 | C49 | C50 | 105.1° | 37.8° |
| H87 | N9 | C49 | C51 | 14.5° | 158.4° |
| H87 | N9 | C49 | H88 | 135.5° | 82.2° |
| C50 | C49 | C51 | H88 | 119.5° | 120.2° |
| C49 | C50 | O11 | N10 | 174.5° | 179.8° |
| C50 | C49 | C51 | C52 | 64.9° | 50.3° |
| C50 | C49 | C51 | C53 | 172.7° | 69.6° |
| C50 | C49 | C51 | H89 | 53.8° | 170.4° |
| C49 | C50 | N10 | C54 | 16.7° | 1.9° |
| C49 | C50 | N10 | C55 | 177.9° | 177.6° |
| C50 | C49 | N9 | C48 | 74.9° | 141.9° |
| C51 | C49 | C50 | O11 | 67.5° | 83.7° |
| C49 | C51 | C52 | C53 | 121.7° | 119.9° |
| C49 | C51 | C52 | H89 | 118.6° | 120.1° |
| C49 | C51 | C53 | H89 | 118.7° | 120.0° |
| C49 | C51 | C52 | H90 | 180.0° | 67.1° |
| C49 | C51 | C52 | H91 | 60.0° | 172.9° |
| C49 | C51 | C52 | H92 | 60.0° | 52.9° |
| C49 | C51 | C53 | H93 | 180.0° | 55.0° |
| C49 | C51 | C53 | H94 | 60.0° | 175.0° |
| C49 | C51 | C53 | H95 | 60.0° | 65.0° |
| C51 | C49 | N9 | C48 | 165.5° | 21.2° |
| C51 | C49 | C50 | N10 | 117.7° | 96.5° |
| H88 | C49 | C50 | O11 | 173.0° | 157.1° |
| H88 | C49 | C51 | C52 | 54.6° | 170.5° |
| H88 | C49 | C51 | C53 | 67.7° | 50.5° |
| H88 | C49 | C51 | H89 | 173.3° | 69.4° |
| H88 | C49 | N9 | C48 | 44.5° | 98.1° |
| H88 | C49 | C50 | N10 | 1.8° | 22.7° |
| O11 | C50 | N10 | C54 | 168.7° | 178.3° |
| O11 | C50 | N10 | C55 | 3.3° | 2.2° |
| C52 | C51 | C53 | H89 | 119.5° | 120.0° |
| C51 | C52 | H90 | H91 | 120.0° | 120.0° |
| C51 | C52 | H90 | H92 | 120.0° | 120.0° |
| C51 | C52 | H91 | H92 | 120.0° | 120.0° |
| C52 | C51 | C53 | H93 | 58.2° | 175.0° |
| C52 | C51 | C53 | H94 | 61.7° | 65.0° |
| C52 | C51 | C53 | H95 | 178.2° | 55.0° |
| C53 | C51 | C52 | H90 | 58.3° | 52.9° |
| C53 | C51 | C52 | H91 | 178.3° | 67.2° |
| C53 | C51 | C52 | H92 | 61.7° | 172.8° |
| C51 | C53 | H93 | H94 | 120.0° | 120.0° |
| C51 | C53 | H93 | H95 | 120.0° | 120.0° |
| C51 | C53 | H94 | H95 | 120.0° | 120.0° |
| H89 | C51 | C52 | H90 | 61.4° | 172.9° |
| H89 | C51 | C52 | H91 | 58.6° | 52.8° |
| H89 | C51 | C52 | H92 | 178.6° | 67.2° |
| H89 | C51 | C53 | H93 | 61.3° | 65.0° |
| H89 | C51 | C53 | H94 | 178.7° | 55.0° |
| H89 | C51 | C53 | H95 | 58.7° | 175.0° |
| H90 | C52 | H91 | H92 | 119.9° | 120.0° |
| H93 | C53 | H94 | H95 | 120.0° | 120.0° |
| C54 | N10 | C55 | C50 | 167.2° | 179.5° |
| N10 | C54 | H96 | H97 | 120.0° | 120.1° |
| N10 | C54 | H96 | H98 | 120.0° | 120.0° |
| N10 | C54 | H97 | H98 | 120.0° | 120.0° |
| C54 | N10 | C55 | C56 | 56.2° | 20.4° |
| C54 | N10 | C55 | C60 | 68.7° | 100.4° |
| C54 | N10 | C55 | H99 | 173.3° | 139.7° |
| C55 | N10 | C54 | H96 | 180.0° | 174.2° |
| C55 | N10 | C54 | H97 | 60.0° | 65.7° |
| C55 | N10 | C54 | H98 | 60.0° | 54.2° |
| N10 | C55 | C56 | C60 | 126.3° | 120.4° |
| N10 | C55 | C56 | H99 | 117.6° | 119.5° |
| N10 | C55 | C60 | H99 | 118.4° | 119.7° |
| N10 | C55 | C56 | C57 | 49.2° | 65.4° |
| N10 | C55 | C56 | H100 | 72.1° | 54.6° |
| N10 | C55 | C56 | H101 | 170.6° | 174.5° |
| N10 | C55 | C60 | O12 | 12.7° | 112.5° |
| N10 | C55 | C60 | N11 | 171.2° | 67.2° |
| H96 | C54 | H97 | H98 | 119.9° | 119.9° |
| H96 | C54 | N10 | C50 | 13.8° | 5.2° |
| H97 | C54 | N10 | C50 | 106.3° | 114.8° |
| H98 | C54 | N10 | C50 | 133.7° | 125.2° |
| C56 | C55 | C60 | H99 | 115.9° | 119.8° |
| C55 | C56 | C57 | H100 | 121.3° | 119.9° |
| C55 | C56 | C57 | H101 | 121.3° | 120.0° |
| C55 | C56 | H100 | H101 | 115.7° | 120.0° |
| C55 | C56 | C57 | C58 | 179.9° | 172.0° |
| C55 | C56 | C57 | C59 | 56.2° | 68.0° |
| C55 | C56 | C57 | H102 | 62.5° | 52.0° |
| C56 | C55 | C60 | O12 | 138.4° | 127.1° |
| C56 | C55 | N10 | C50 | 136.6° | 159.1° |
| C56 | C55 | C60 | N11 | 63.1° | 53.3° |
| C60 | C55 | C56 | C57 | 175.5° | 174.1° |
| C60 | C55 | C56 | H100 | 54.2° | 65.9° |
| C60 | C55 | C56 | H101 | 63.1° | 54.1° |
| C55 | C60 | O12 | N11 | 156.6° | 179.6° |
| C55 | C60 | N11 | C61 | 179.5° | 174.2° |
| C55 | C60 | N11 | H109 | 0.4° | 6.2° |
| C60 | C55 | N10 | C50 | 98.5° | 80.2° |
| H99 | C55 | C56 | C57 | 68.4° | 54.0° |
| H99 | C55 | C56 | H100 | 170.2° | 174.0° |
| H99 | C55 | C56 | H101 | 52.9° | 66.0° |
| H99 | C55 | C60 | O12 | 105.7° | 7.3° |
| H99 | C55 | N10 | C50 | 19.5° | 39.7° |
| H99 | C55 | C60 | N11 | 52.8° | 173.1° |
| C57 | C56 | H100 | H101 | 115.7° | 120.1° |
| C56 | C57 | C58 | C59 | 124.0° | 120.0° |
| C56 | C57 | C58 | H102 | 117.4° | 120.0° |
| C56 | C57 | C59 | H102 | 118.5° | 120.0° |
| C56 | C57 | C58 | H103 | 180.0° | 60.0° |
| C56 | C57 | C58 | H104 | 60.0° | 179.9° |
| C56 | C57 | C58 | H105 | 60.0° | 60.0° |
| C56 | C57 | C59 | H106 | 180.0° | 60.0° |
| C56 | C57 | C59 | H107 | 60.0° | 60.1° |
| C56 | C57 | C59 | H108 | 60.0° | 179.9° |
| H100 | C56 | C57 | C58 | 58.6° | 52.1° |
| H100 | C56 | C57 | C59 | 177.6° | 172.0° |
| H100 | C56 | C57 | H102 | 58.9° | 67.9° |
| H101 | C56 | C57 | C58 | 58.7° | 68.0° |
| H101 | C56 | C57 | C59 | 65.1° | 52.0° |
| H101 | C56 | C57 | H102 | 176.2° | 172.0° |
| C58 | C57 | C59 | H102 | 118.5° | 120.0° |
| C57 | C58 | H103 | H104 | 120.0° | 120.0° |
| C57 | C58 | H103 | H105 | 120.0° | 120.0° |
| C57 | C58 | H104 | H105 | 120.0° | 120.0° |
| C58 | C57 | C59 | H106 | 57.0° | 60.0° |
| C58 | C57 | C59 | H107 | 63.0° | 180.0° |
| C58 | C57 | C59 | H108 | 177.0° | 60.0° |
| C59 | C57 | C58 | H103 | 55.9° | 60.0° |
| C59 | C57 | C58 | H104 | 176.0° | 60.0° |
| C59 | C57 | C58 | H105 | 64.1° | 180.0° |
| C57 | C59 | H106 | H107 | 120.0° | 120.0° |
| C57 | C59 | H106 | H108 | 120.0° | 119.9° |
| C57 | C59 | H107 | H108 | 120.0° | 120.0° |
| H102 | C57 | C58 | H103 | 62.6° | 180.0° |
| H102 | C57 | C58 | H104 | 57.4° | 60.0° |
| H102 | C57 | C58 | H105 | 177.4° | 60.0° |
| H102 | C57 | C59 | H106 | 61.5° | 180.0° |
| H102 | C57 | C59 | H107 | 178.5° | 60.0° |
| H102 | C57 | C59 | H108 | 58.6° | 60.0° |
| H103 | C58 | H104 | H105 | 119.9° | 120.0° |
| H106 | C59 | H107 | H108 | 120.0° | 120.0° |
| O12 | C60 | N11 | C61 | 22.4° | 6.2° |
| O12 | C60 | N11 | H109 | 157.6° | 173.4° |
| C61 | N11 | H109 | C60 | 180.0° | 179.6° |
| N11 | C61 | C62 | C63 | 120.8° | 120.3° |
| N11 | C61 | C62 | H110 | 120.4° | 119.9° |
| N11 | C61 | C63 | H110 | 120.2° | 120.2° |
| N11 | C61 | C62 | O13 | 39.9° | 115.9° |
| N11 | C61 | C63 | H111 | 180.0° | 60.0° |
| N11 | C61 | C63 | H112 | 60.0° | 180.0° |
| N11 | C61 | C63 | H113 | 60.0° | 60.0° |
| N11 | C61 | C62 | N1 | 160.5° | 63.9° |
| H109 | N11 | C61 | C62 | 118.5° | 55.4° |
| H109 | N11 | C61 | C63 | 2.2° | 65.0° |
| H109 | N11 | C61 | H110 | 121.7° | 175.1° |
| C62 | C61 | C63 | H110 | 119.0° | 119.8° |
| C61 | C62 | O13 | N1 | 157.6° | 179.9° |
| C62 | C61 | C63 | H111 | 59.2° | 60.0° |
| C62 | C61 | C63 | H112 | 179.2° | 60.0° |
| C62 | C61 | C63 | H113 | 60.8° | 180.0° |
| C62 | C61 | N11 | C60 | 61.5° | 124.2° |
| C63 | C61 | C62 | O13 | 80.9° | 123.7° |
| C61 | C63 | H111 | H112 | 120.0° | 120.0° |
| C61 | C63 | H111 | H113 | 120.0° | 120.0° |
| C61 | C63 | H112 | H113 | 120.0° | 120.0° |
| C63 | C61 | C62 | N1 | 78.7° | 56.4° |
| C63 | C61 | N11 | C60 | 177.8° | 115.4° |
| H110 | C61 | C62 | O13 | 160.3° | 3.9° |
| H110 | C61 | C63 | H111 | 59.8° | 179.9° |
| H110 | C61 | C63 | H112 | 60.2° | 59.8° |
| H110 | C61 | C63 | H113 | 179.8° | 60.2° |
| H110 | C61 | C62 | N1 | 40.2° | 176.2° |
| H110 | C61 | N11 | C60 | 58.3° | 4.6° |
| H111 | C63 | H112 | H113 | 120.0° | 120.0° |
