PRD_002561
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.46Å | 1.49Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C1 | C3 | sing | 1.53Å | 1.56Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.21Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| 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 | |
| N2 | C7 | sing | 1.46Å | 1.49Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.46Å | |
| C7 | C9 | sing | 1.53Å | 1.58Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | O2 | doub | 1.21Å | 1.19Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | O3 | doub | 1.21Å | 1.22Å | |
| C11 | O4 | sing | 1.34Å | 1.21Å | |
| O4 | H18 | sing | 0.97Å | 0.95Å | |
| N3 | C12 | sing | 1.46Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C15 | sing | 1.51Å | 1.58Å | |
| C13 | O5 | sing | 1.45Å | 1.45Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C15 | O6 | doub | 1.21Å | 1.23Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.55Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C16 | N4 | sing | 1.48Å | 1.48Å | |
| C16 | C21 | sing | 1.51Å | 1.54Å | |
| C21 | O7 | doub | 1.21Å | 1.23Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| N5 | C22 | sing | 1.48Å | 1.47Å | |
| N5 | H36 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.53Å | 1.56Å | |
| C22 | C27 | sing | 1.51Å | 1.57Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.49Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C24 | C26 | sing | 1.53Å | 1.54Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| C26 | H44 | sing | 1.09Å | 1.10Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| C26 | H46 | sing | 1.09Å | 1.10Å | |
| C27 | O8 | doub | 1.21Å | 1.24Å | |
| N6 | C28 | sing | 1.48Å | 1.47Å | |
| N6 | H47 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C28 | C30 | sing | 1.53Å | 1.47Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| C29 | O9 | doub | 1.21Å | 1.21Å | |
| C30 | O10 | sing | 1.43Å | 1.43Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| O10 | H51 | sing | 0.97Å | 0.95Å | |
| N7 | C31 | sing | 1.48Å | 1.51Å | |
| N7 | H52 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.55Å | |
| C31 | C33 | sing | 1.53Å | 1.52Å | |
| C31 | H53 | sing | 1.09Å | 1.10Å | |
| C32 | O11 | doub | 1.21Å | 1.22Å | |
| C33 | C34 | sing | 1.53Å | 1.57Å | |
| C33 | H54 | sing | 1.09Å | 1.10Å | |
| C33 | H55 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | C36 | sing | 1.53Å | 1.52Å | |
| C34 | H56 | sing | 1.09Å | 1.10Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H58 | sing | 1.09Å | 1.10Å | |
| C35 | H59 | sing | 1.09Å | 1.10Å | |
| C36 | H60 | sing | 1.09Å | 1.10Å | |
| C36 | H61 | sing | 1.09Å | 1.10Å | |
| C36 | H62 | sing | 1.09Å | 1.10Å | |
| N8 | C37 | sing | 1.48Å | 1.44Å | |
| N8 | H63 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.51Å | 1.54Å | |
| C37 | C39 | sing | 1.53Å | 1.51Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C38 | O12 | doub | 1.21Å | 1.24Å | |
| C39 | C40 | sing | 1.53Å | 1.60Å | |
| C39 | H65 | sing | 1.09Å | 1.10Å | |
| C39 | H66 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.57Å | |
| C40 | C42 | sing | 1.53Å | 1.51Å | |
| 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 | |
| N9 | C43 | sing | 1.48Å | 1.47Å | |
| N9 | H74 | sing | 0.97Å | 1.00Å | |
| C43 | C44 | sing | 1.51Å | 1.54Å | |
| C43 | C45 | sing | 1.53Å | 1.50Å | |
| C43 | H75 | sing | 1.09Å | 1.10Å | |
| C44 | O13 | doub | 1.21Å | 1.19Å | |
| C45 | O14 | sing | 1.43Å | 1.41Å | |
| C45 | H76 | sing | 1.09Å | 1.10Å | |
| C45 | H77 | sing | 1.09Å | 1.10Å | |
| O14 | H78 | sing | 0.97Å | 0.95Å | |
| N10 | C46 | sing | 1.48Å | 1.50Å | |
| N10 | H79 | sing | 0.97Å | 1.00Å | |
| C46 | C47 | sing | 1.51Å | 1.53Å | |
| C46 | C48 | sing | 1.53Å | 1.64Å | |
| C46 | H80 | sing | 1.09Å | 1.10Å | |
| C47 | O15 | doub | 1.21Å | 1.22Å | |
| C48 | C49 | sing | 1.53Å | 1.54Å | |
| C48 | C50 | sing | 1.53Å | 1.57Å | |
| C48 | H81 | sing | 1.09Å | 1.10Å | |
| C49 | H82 | sing | 1.09Å | 1.10Å | |
| C49 | H83 | sing | 1.09Å | 1.10Å | |
| C49 | H84 | sing | 1.09Å | 1.10Å | |
| C50 | H85 | sing | 1.09Å | 1.10Å | |
| C50 | H86 | sing | 1.09Å | 1.10Å | |
| C50 | H87 | sing | 1.09Å | 1.10Å | |
| C51 | C52 | sing | 1.51Å | 1.52Å | |
| C51 | O16 | doub | 1.21Å | 1.29Å | |
| C52 | C53 | sing | 1.53Å | 1.58Å | |
| C52 | H88 | sing | 1.09Å | 1.10Å | |
| C52 | H89 | sing | 1.09Å | 1.10Å | |
| C53 | C54 | sing | 1.53Å | 1.56Å | |
| C53 | O17 | sing | 1.43Å | 1.37Å | |
| C53 | H90 | sing | 1.09Å | 1.10Å | |
| C54 | C55 | sing | 1.53Å | 1.57Å | |
| C54 | H91 | sing | 1.09Å | 1.10Å | |
| C54 | H92 | sing | 1.09Å | 1.10Å | |
| C55 | C56 | sing | 1.53Å | 1.52Å | |
| C55 | H93 | sing | 1.09Å | 1.10Å | |
| C55 | H94 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | sing | 1.53Å | 1.52Å | |
| C56 | H95 | sing | 1.09Å | 1.10Å | |
| C56 | H96 | sing | 1.09Å | 1.10Å | |
| C57 | C58 | sing | 1.53Å | 1.53Å | |
| C57 | H97 | sing | 1.09Å | 1.10Å | |
| C57 | H98 | sing | 1.09Å | 1.10Å | |
| C58 | C59 | sing | 1.53Å | 1.55Å | |
| C58 | H99 | sing | 1.09Å | 1.10Å | |
| C58 | H100 | sing | 1.09Å | 1.10Å | |
| C59 | C60 | sing | 1.53Å | 1.52Å | |
| C59 | H101 | sing | 1.09Å | 1.10Å | |
| C59 | H102 | sing | 1.09Å | 1.10Å | |
| C60 | C61 | sing | 1.53Å | 1.62Å | |
| C60 | H103 | sing | 1.09Å | 1.10Å | |
| C60 | H104 | sing | 1.09Å | 1.10Å | |
| C61 | C62 | sing | 1.53Å | 1.46Å | |
| C61 | H105 | sing | 1.09Å | 1.10Å | |
| C61 | H106 | sing | 1.09Å | 1.10Å | |
| C62 | C63 | sing | 1.53Å | 1.60Å | |
| C62 | H107 | sing | 1.09Å | 1.10Å | |
| C62 | H108 | sing | 1.09Å | 1.10Å | |
| C63 | C64 | sing | 1.53Å | 1.57Å | |
| C63 | H109 | sing | 1.09Å | 1.10Å | |
| C63 | H110 | sing | 1.09Å | 1.10Å | |
| C64 | H111 | sing | 1.09Å | 1.10Å | |
| C64 | H112 | sing | 1.09Å | 1.10Å | |
| C64 | H113 | sing | 1.09Å | 1.10Å | |
| O17 | H114 | sing | 0.97Å | 0.95Å | |
| C2 | N2 | sing | 1.35Å | 1.42Å | |
| C8 | N3 | sing | 1.35Å | 1.38Å | |
| C15 | N4 | sing | 1.36Å | 1.35Å | |
| O5 | C47 | sing | 1.34Å | 1.34Å | |
| C21 | N5 | sing | 1.37Å | 1.37Å | |
| C27 | N6 | sing | 1.36Å | 1.41Å | |
| C29 | N7 | sing | 1.37Å | 1.42Å | |
| C32 | N8 | sing | 1.36Å | 1.37Å | |
| C38 | N9 | sing | 1.37Å | 1.39Å | |
| C44 | N10 | sing | 1.36Å | 1.36Å | |
| N1 | C51 | sing | 1.35Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 116.3° | 120.0° |
| N1 | C1 | C2 | 114.6° | 109.5° |
| N1 | C1 | C3 | 111.6° | 109.5° |
| N1 | C1 | H2 | 104.5° | 109.5° |
| C1 | N1 | C51 | 127.4° | 120.0° |
| H1 | N1 | C51 | 116.3° | 120.0° |
| C2 | C1 | C3 | 116.2° | 109.5° |
| C2 | C1 | H2 | 104.5° | 109.4° |
| C1 | C2 | O1 | 119.7° | 120.0° |
| C1 | C2 | N2 | 118.1° | 120.0° |
| C3 | C1 | H2 | 103.8° | 109.5° |
| C1 | C3 | C4 | 114.3° | 109.5° |
| C1 | C3 | H3 | 108.3° | 109.5° |
| C1 | C3 | H4 | 108.3° | 109.5° |
| O1 | C2 | N2 | 121.9° | 120.0° |
| C4 | C3 | H3 | 108.3° | 109.5° |
| C4 | C3 | H4 | 108.3° | 109.5° |
| C3 | C4 | C5 | 108.0° | 109.5° |
| C3 | C4 | C6 | 108.7° | 109.5° |
| C3 | C4 | H5 | 110.4° | 109.5° |
| H3 | C3 | H4 | 109.4° | 109.4° |
| C5 | C4 | C6 | 109.5° | 109.5° |
| C5 | C4 | H5 | 110.1° | 109.5° |
| C4 | C5 | H6 | 109.5° | 109.5° |
| C4 | C5 | H7 | 109.5° | 109.4° |
| C4 | C5 | H8 | 109.4° | 109.5° |
| C6 | C4 | H5 | 110.1° | 109.5° |
| C4 | C6 | H9 | 109.5° | 109.5° |
| C4 | C6 | H10 | 109.5° | 109.5° |
| C4 | C6 | H11 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H6 | C5 | H8 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.4° | 109.5° |
| H9 | C6 | H11 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.4° |
| C7 | N2 | H12 | 117.8° | 120.0° |
| N2 | C7 | C8 | 113.3° | 109.5° |
| N2 | C7 | C9 | 102.5° | 109.5° |
| N2 | C7 | H13 | 108.0° | 109.5° |
| C7 | N2 | C2 | 124.4° | 120.0° |
| H12 | N2 | C2 | 117.8° | 120.0° |
| C8 | C7 | C9 | 117.3° | 109.5° |
| C8 | C7 | H13 | 108.3° | 109.5° |
| C7 | C8 | O2 | 119.2° | 120.0° |
| C7 | C8 | N3 | 119.1° | 120.0° |
| C9 | C7 | H13 | 106.9° | 109.5° |
| C7 | C9 | C10 | 116.8° | 109.5° |
| C7 | C9 | H14 | 107.6° | 109.4° |
| C7 | C9 | H15 | 107.6° | 109.5° |
| O2 | C8 | N3 | 121.4° | 120.0° |
| C10 | C9 | H14 | 107.6° | 109.5° |
| C10 | C9 | H15 | 107.6° | 109.5° |
| C9 | C10 | C11 | 117.1° | 109.5° |
| C9 | C10 | H16 | 107.5° | 109.5° |
| C9 | C10 | H17 | 107.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.4° |
| C11 | C10 | H16 | 107.5° | 109.5° |
| C11 | C10 | H17 | 107.5° | 109.5° |
| C10 | C11 | O3 | 119.1° | 120.0° |
| C10 | C11 | O4 | 123.3° | 120.0° |
| H16 | C10 | H17 | 109.5° | 109.4° |
| O3 | C11 | O4 | 117.4° | 120.0° |
| C11 | O4 | H18 | 109.5° | 117.0° |
| N3 | C12 | C13 | 111.4° | 109.5° |
| N3 | C12 | C15 | 109.2° | 109.5° |
| C12 | N3 | H19 | 118.8° | 120.0° |
| N3 | C12 | H20 | 110.0° | 109.5° |
| C12 | N3 | C8 | 122.5° | 120.0° |
| C13 | C12 | C15 | 107.0° | 109.4° |
| C12 | C13 | O5 | 107.6° | 109.6° |
| C12 | C13 | C14 | 114.3° | 109.5° |
| C13 | C12 | H20 | 109.9° | 109.5° |
| C12 | C13 | H21 | 109.2° | 109.4° |
| C12 | C15 | O6 | 127.3° | 120.5° |
| C15 | C12 | H20 | 109.3° | 109.5° |
| C12 | C15 | N4 | 114.1° | 119.1° |
| O5 | C13 | C14 | 106.5° | 109.4° |
| O5 | C13 | H21 | 110.3° | 109.4° |
| C13 | O5 | C47 | 124.6° | 116.9° |
| C14 | C13 | H21 | 109.0° | 109.4° |
| C13 | C14 | H22 | 109.5° | 109.5° |
| C13 | C14 | H23 | 109.5° | 109.5° |
| C13 | C14 | H24 | 109.5° | 109.4° |
| O6 | C15 | N4 | 118.6° | 120.4° |
| H19 | N3 | C8 | 118.8° | 120.0° |
| H22 | C14 | H23 | 109.5° | 109.5° |
| H22 | C14 | H24 | 109.4° | 109.4° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| C18 | C17 | C19 | 107.6° | 109.5° |
| C18 | C17 | C16 | 109.1° | 109.5° |
| C18 | C17 | H27 | 108.6° | 109.4° |
| C17 | C18 | H28 | 109.5° | 109.5° |
| C17 | C18 | H29 | 109.5° | 109.5° |
| C17 | C18 | H30 | 109.5° | 109.4° |
| C19 | C17 | C16 | 113.9° | 109.5° |
| C17 | C19 | C20 | 113.8° | 109.4° |
| C19 | C17 | H27 | 108.9° | 109.5° |
| C17 | C19 | H31 | 108.4° | 109.5° |
| C17 | C19 | H32 | 108.4° | 109.5° |
| C17 | C16 | N4 | 110.1° | 109.6° |
| C17 | C16 | C21 | 118.9° | 109.6° |
| C17 | C16 | H26 | 106.4° | 109.7° |
| C16 | C17 | H27 | 108.6° | 109.5° |
| C20 | C19 | H31 | 108.4° | 109.5° |
| C20 | C19 | H32 | 108.4° | 109.5° |
| C19 | C20 | H33 | 109.5° | 109.5° |
| C19 | C20 | H34 | 109.5° | 109.5° |
| C19 | C20 | H35 | 109.5° | 109.5° |
| N4 | C16 | C21 | 107.3° | 108.9° |
| C16 | N4 | H25 | 115.3° | 121.8° |
| N4 | C16 | H26 | 107.1° | 109.6° |
| C16 | N4 | C15 | 129.4° | 116.6° |
| C16 | C21 | O7 | 119.5° | 120.5° |
| C21 | C16 | H26 | 106.4° | 109.5° |
| C16 | C21 | N5 | 120.5° | 119.0° |
| O7 | C21 | N5 | 119.8° | 120.5° |
| H25 | N4 | C15 | 115.3° | 121.6° |
| H28 | C18 | H29 | 109.5° | 109.4° |
| H28 | C18 | H30 | 109.5° | 109.5° |
| H29 | C18 | H30 | 109.5° | 109.5° |
| H31 | C19 | H32 | 109.5° | 109.5° |
| H33 | C20 | H34 | 109.5° | 109.4° |
| H33 | C20 | H35 | 109.4° | 109.5° |
| H34 | C20 | H35 | 109.5° | 109.5° |
| C22 | N5 | H36 | 116.5° | 122.2° |
| N5 | C22 | C23 | 107.3° | 109.6° |
| N5 | C22 | C27 | 114.8° | 108.8° |
| N5 | C22 | H37 | 109.2° | 109.6° |
| C22 | N5 | C21 | 127.0° | 115.5° |
| H36 | N5 | C21 | 116.5° | 122.3° |
| C23 | C22 | C27 | 109.4° | 109.6° |
| C23 | C22 | H37 | 108.0° | 109.6° |
| C22 | C23 | C24 | 114.8° | 109.5° |
| C22 | C23 | H38 | 108.1° | 109.5° |
| C22 | C23 | H39 | 108.1° | 109.5° |
| C27 | C22 | H37 | 107.9° | 109.7° |
| C22 | C27 | O8 | 121.5° | 120.4° |
| C22 | C27 | N6 | 118.1° | 119.2° |
| C24 | C23 | H38 | 108.1° | 109.5° |
| C24 | C23 | H39 | 108.1° | 109.4° |
| C23 | C24 | C25 | 109.5° | 109.4° |
| C23 | C24 | C26 | 107.6° | 109.5° |
| C23 | C24 | H40 | 110.8° | 109.5° |
| H38 | C23 | H39 | 109.5° | 109.5° |
| C25 | C24 | C26 | 108.3° | 109.4° |
| C25 | C24 | H40 | 110.5° | 109.4° |
| C24 | C25 | H41 | 109.5° | 109.5° |
| C24 | C25 | H42 | 109.5° | 109.5° |
| C24 | C25 | H43 | 109.4° | 109.5° |
| C26 | C24 | H40 | 110.0° | 109.5° |
| C24 | C26 | H44 | 109.5° | 109.4° |
| C24 | C26 | H45 | 109.5° | 109.4° |
| C24 | C26 | H46 | 109.5° | 109.5° |
| H41 | C25 | H42 | 109.5° | 109.4° |
| H41 | C25 | H43 | 109.5° | 109.5° |
| H42 | C25 | H43 | 109.5° | 109.5° |
| H44 | C26 | H45 | 109.4° | 109.5° |
| H44 | C26 | H46 | 109.5° | 109.4° |
| H45 | C26 | H46 | 109.5° | 109.5° |
| O8 | C27 | N6 | 120.3° | 120.4° |
| C28 | N6 | H47 | 117.7° | 121.7° |
| N6 | C28 | C29 | 113.0° | 108.8° |
| N6 | C28 | C30 | 106.7° | 109.5° |
| N6 | C28 | H48 | 108.0° | 109.6° |
| C28 | N6 | C27 | 124.7° | 116.6° |
| H47 | N6 | C27 | 117.7° | 121.7° |
| C29 | C28 | C30 | 113.5° | 109.6° |
| C29 | C28 | H48 | 107.4° | 109.6° |
| C28 | C29 | O9 | 115.9° | 120.7° |
| C28 | C29 | N7 | 123.9° | 118.7° |
| C30 | C28 | H48 | 108.0° | 109.7° |
| C28 | C30 | O10 | 112.7° | 109.5° |
| C28 | C30 | H49 | 108.7° | 109.5° |
| C28 | C30 | H50 | 108.7° | 109.5° |
| O9 | C29 | N7 | 119.9° | 120.6° |
| O10 | C30 | H49 | 108.6° | 109.5° |
| O10 | C30 | H50 | 108.7° | 109.4° |
| C30 | O10 | H51 | 109.5° | 114.1° |
| H49 | C30 | H50 | 109.4° | 109.4° |
| C31 | N7 | H52 | 113.6° | 122.3° |
| N7 | C31 | C32 | 111.2° | 108.5° |
| N7 | C31 | C33 | 104.2° | 109.6° |
| N7 | C31 | H53 | 110.0° | 109.6° |
| C31 | N7 | C29 | 132.8° | 115.5° |
| H52 | N7 | C29 | 113.6° | 122.2° |
| C32 | C31 | C33 | 111.8° | 109.6° |
| C32 | C31 | H53 | 109.5° | 109.6° |
| C31 | C32 | O11 | 118.5° | 120.5° |
| C31 | C32 | N8 | 120.4° | 119.1° |
| C33 | C31 | H53 | 109.9° | 109.8° |
| C31 | C33 | C34 | 122.1° | 109.5° |
| C31 | C33 | H54 | 106.2° | 109.4° |
| C31 | C33 | H55 | 106.2° | 109.4° |
| O11 | C32 | N8 | 120.8° | 120.4° |
| C34 | C33 | H54 | 106.2° | 109.5° |
| C34 | C33 | H55 | 106.2° | 109.5° |
| C33 | C34 | C35 | 109.1° | 109.5° |
| C33 | C34 | C36 | 112.0° | 109.5° |
| C33 | C34 | H56 | 108.2° | 109.5° |
| H54 | C33 | H55 | 109.4° | 109.5° |
| C35 | C34 | C36 | 110.0° | 109.4° |
| C35 | C34 | H56 | 108.7° | 109.5° |
| C34 | C35 | H57 | 109.5° | 109.5° |
| C34 | C35 | H58 | 109.5° | 109.5° |
| C34 | C35 | H59 | 109.5° | 109.4° |
| C36 | C34 | H56 | 108.7° | 109.4° |
| C34 | C36 | H60 | 109.5° | 109.4° |
| C34 | C36 | H61 | 109.5° | 109.4° |
| C34 | C36 | H62 | 109.5° | 109.4° |
| H57 | C35 | H58 | 109.4° | 109.5° |
| H57 | C35 | H59 | 109.5° | 109.5° |
| H58 | C35 | H59 | 109.5° | 109.4° |
| H60 | C36 | H61 | 109.5° | 109.5° |
| H60 | C36 | H62 | 109.5° | 109.5° |
| H61 | C36 | H62 | 109.5° | 109.5° |
| C37 | N8 | H63 | 119.6° | 121.7° |
| N8 | C37 | C38 | 113.8° | 108.9° |
| N8 | C37 | C39 | 109.6° | 109.6° |
| N8 | C37 | H64 | 108.4° | 109.6° |
| C37 | N8 | C32 | 120.9° | 116.6° |
| H63 | N8 | C32 | 119.6° | 121.7° |
| C38 | C37 | C39 | 110.0° | 109.6° |
| C38 | C37 | H64 | 107.2° | 109.6° |
| C37 | C38 | O12 | 122.3° | 120.6° |
| C37 | C38 | N9 | 117.1° | 118.9° |
| C39 | C37 | H64 | 107.5° | 109.6° |
| C37 | C39 | C40 | 111.0° | 109.5° |
| C37 | C39 | H65 | 109.1° | 109.4° |
| C37 | C39 | H66 | 109.1° | 109.5° |
| O12 | C38 | N9 | 120.2° | 120.6° |
| C40 | C39 | H65 | 109.1° | 109.5° |
| C40 | C39 | H66 | 109.1° | 109.5° |
| C39 | C40 | C41 | 114.2° | 109.5° |
| C39 | C40 | C42 | 114.7° | 109.5° |
| C39 | C40 | H67 | 106.7° | 109.5° |
| H65 | C39 | H66 | 109.5° | 109.5° |
| C41 | C40 | C42 | 105.9° | 109.5° |
| C41 | C40 | H67 | 107.1° | 109.4° |
| C40 | C41 | H68 | 109.5° | 109.5° |
| C40 | C41 | H69 | 109.5° | 109.5° |
| C40 | C41 | H70 | 109.4° | 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 | 109.4° | 109.5° |
| H68 | C41 | H69 | 109.5° | 109.5° |
| H68 | C41 | H70 | 109.5° | 109.5° |
| H69 | C41 | H70 | 109.5° | 109.4° |
| H71 | C42 | H72 | 109.4° | 109.5° |
| H71 | C42 | H73 | 109.5° | 109.4° |
| H72 | C42 | H73 | 109.5° | 109.5° |
| C43 | N9 | H74 | 117.0° | 122.3° |
| N9 | C43 | C44 | 113.5° | 108.8° |
| N9 | C43 | C45 | 112.8° | 109.6° |
| N9 | C43 | H75 | 108.1° | 109.6° |
| C43 | N9 | C38 | 125.9° | 115.4° |
| H74 | N9 | C38 | 117.0° | 122.2° |
| C44 | C43 | C45 | 107.2° | 109.6° |
| C44 | C43 | H75 | 107.2° | 109.6° |
| C43 | C44 | O13 | 120.7° | 120.4° |
| C43 | C44 | N10 | 117.0° | 119.1° |
| C45 | C43 | H75 | 107.7° | 109.7° |
| C43 | C45 | O14 | 109.2° | 109.5° |
| C43 | C45 | H76 | 109.5° | 109.5° |
| C43 | C45 | H77 | 109.5° | 109.5° |
| O13 | C44 | N10 | 121.0° | 120.5° |
| O14 | C45 | H76 | 109.5° | 109.5° |
| O14 | C45 | H77 | 109.5° | 109.5° |
| C45 | O14 | H78 | 109.5° | 114.0° |
| H76 | C45 | H77 | 109.5° | 109.5° |
| C46 | N10 | H79 | 117.6° | 121.6° |
| N10 | C46 | C47 | 109.2° | 109.0° |
| N10 | C46 | C48 | 111.4° | 109.5° |
| N10 | C46 | H80 | 107.8° | 109.6° |
| C46 | N10 | C44 | 124.8° | 116.7° |
| H79 | N10 | C44 | 117.6° | 121.7° |
| C47 | C46 | C48 | 114.5° | 109.5° |
| C47 | C46 | H80 | 107.4° | 109.6° |
| C46 | C47 | O15 | 124.7° | 120.0° |
| C46 | C47 | O5 | 114.8° | 120.1° |
| C48 | C46 | H80 | 106.2° | 109.6° |
| C46 | C48 | C49 | 114.3° | 109.5° |
| C46 | C48 | C50 | 111.6° | 109.5° |
| C46 | C48 | H81 | 106.3° | 109.5° |
| O15 | C47 | O5 | 119.1° | 120.0° |
| C49 | C48 | C50 | 109.8° | 109.5° |
| C49 | C48 | H81 | 107.3° | 109.5° |
| C48 | C49 | H82 | 109.5° | 109.4° |
| C48 | C49 | H83 | 109.5° | 109.5° |
| C48 | C49 | H84 | 109.4° | 109.5° |
| C50 | C48 | H81 | 107.0° | 109.4° |
| C48 | C50 | H85 | 109.5° | 109.5° |
| C48 | C50 | H86 | 109.5° | 109.5° |
| C48 | C50 | H87 | 109.5° | 109.4° |
| H82 | C49 | H83 | 109.5° | 109.5° |
| H82 | C49 | H84 | 109.5° | 109.5° |
| H83 | C49 | H84 | 109.5° | 109.5° |
| H85 | C50 | H86 | 109.5° | 109.5° |
| H85 | C50 | H87 | 109.5° | 109.5° |
| H86 | C50 | H87 | 109.5° | 109.4° |
| C52 | C51 | O16 | 124.3° | 120.0° |
| C51 | C52 | C53 | 111.6° | 109.4° |
| C51 | C52 | H88 | 108.9° | 109.5° |
| C51 | C52 | H89 | 108.9° | 109.5° |
| C52 | C51 | N1 | 114.6° | 120.0° |
| O16 | C51 | N1 | 121.0° | 120.0° |
| C53 | C52 | H88 | 108.9° | 109.5° |
| C53 | C52 | H89 | 109.0° | 109.5° |
| C52 | C53 | C54 | 116.6° | 109.5° |
| C52 | C53 | O17 | 100.6° | 109.5° |
| C52 | C53 | H90 | 106.9° | 109.4° |
| H88 | C52 | H89 | 109.5° | 109.5° |
| C54 | C53 | O17 | 115.8° | 109.5° |
| C54 | C53 | H90 | 107.0° | 109.4° |
| C53 | C54 | C55 | 114.2° | 109.5° |
| C53 | C54 | H91 | 108.3° | 109.5° |
| C53 | C54 | H92 | 108.2° | 109.4° |
| O17 | C53 | H90 | 109.5° | 109.5° |
| C53 | O17 | H114 | 109.5° | 114.0° |
| C55 | C54 | H91 | 108.2° | 109.5° |
| C55 | C54 | H92 | 108.3° | 109.5° |
| C54 | C55 | C56 | 117.1° | 109.4° |
| C54 | C55 | H93 | 107.5° | 109.5° |
| C54 | C55 | H94 | 107.5° | 109.5° |
| H91 | C54 | H92 | 109.5° | 109.4° |
| C56 | C55 | H93 | 107.5° | 109.5° |
| C56 | C55 | H94 | 107.5° | 109.5° |
| C55 | C56 | C57 | 112.5° | 109.5° |
| C55 | C56 | H95 | 108.7° | 109.5° |
| C55 | C56 | H96 | 108.7° | 109.5° |
| H93 | C55 | H94 | 109.5° | 109.5° |
| C57 | C56 | H95 | 108.7° | 109.5° |
| C57 | C56 | H96 | 108.7° | 109.4° |
| C56 | C57 | C58 | 115.7° | 109.5° |
| C56 | C57 | H97 | 107.9° | 109.5° |
| C56 | C57 | H98 | 107.9° | 109.5° |
| H95 | C56 | H96 | 109.5° | 109.4° |
| C58 | C57 | H97 | 107.9° | 109.5° |
| C58 | C57 | H98 | 107.9° | 109.5° |
| C57 | C58 | C59 | 118.6° | 109.5° |
| C57 | C58 | H99 | 107.1° | 109.5° |
| C57 | C58 | H100 | 107.1° | 109.5° |
| H97 | C57 | H98 | 109.5° | 109.5° |
| C59 | C58 | H99 | 107.2° | 109.4° |
| C59 | C58 | H100 | 107.2° | 109.5° |
| C58 | C59 | C60 | 111.2° | 109.5° |
| C58 | C59 | H101 | 109.0° | 109.4° |
| C58 | C59 | H102 | 109.0° | 109.5° |
| H99 | C58 | H100 | 109.5° | 109.5° |
| C60 | C59 | H101 | 109.0° | 109.5° |
| C60 | C59 | H102 | 109.1° | 109.5° |
| C59 | C60 | C61 | 114.9° | 109.5° |
| C59 | C60 | H103 | 108.1° | 109.5° |
| C59 | C60 | H104 | 108.1° | 109.5° |
| H101 | C59 | H102 | 109.5° | 109.5° |
| C61 | C60 | H103 | 108.1° | 109.5° |
| C61 | C60 | H104 | 108.1° | 109.5° |
| C60 | C61 | C62 | 115.1° | 109.5° |
| C60 | C61 | H105 | 108.0° | 109.5° |
| C60 | C61 | H106 | 108.0° | 109.4° |
| H103 | C60 | H104 | 109.5° | 109.4° |
| C62 | C61 | H105 | 108.1° | 109.5° |
| C62 | C61 | H106 | 108.0° | 109.5° |
| C61 | C62 | C63 | 108.6° | 109.4° |
| C61 | C62 | H107 | 109.7° | 109.5° |
| C61 | C62 | H108 | 109.7° | 109.5° |
| H105 | C61 | H106 | 109.5° | 109.5° |
| C63 | C62 | H107 | 109.7° | 109.5° |
| C63 | C62 | H108 | 109.7° | 109.5° |
| C62 | C63 | C64 | 111.2° | 109.4° |
| C62 | C63 | H109 | 109.0° | 109.5° |
| C62 | C63 | H110 | 109.0° | 109.5° |
| H107 | C62 | H108 | 109.5° | 109.4° |
| C64 | C63 | H109 | 109.0° | 109.5° |
| C64 | C63 | H110 | 109.0° | 109.5° |
| C63 | C64 | H111 | 109.5° | 109.5° |
| C63 | C64 | H112 | 109.5° | 109.5° |
| C63 | C64 | H113 | 109.5° | 109.5° |
| H109 | C63 | H110 | 109.5° | 109.5° |
| H111 | C64 | H112 | 109.4° | 109.4° |
| H111 | C64 | H113 | 109.4° | 109.5° |
| H112 | C64 | H113 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C51 | 180.0° | 179.7° |
| N1 | C1 | C2 | C3 | 132.5° | 120.0° |
| N1 | C1 | C2 | H2 | 113.7° | 120.0° |
| N1 | C1 | C3 | H2 | 112.0° | 120.0° |
| N1 | C1 | C2 | O1 | 129.7° | 0.0° |
| N1 | C1 | C3 | C4 | 50.6° | 65.0° |
| N1 | C1 | C3 | H3 | 70.1° | 55.0° |
| N1 | C1 | C3 | H4 | 171.3° | 175.0° |
| C1 | N1 | C51 | C52 | 164.5° | 180.0° |
| C1 | N1 | C51 | O16 | 19.8° | 0.0° |
| N1 | C1 | C2 | N2 | 43.4° | 180.0° |
| H1 | N1 | C1 | C2 | 121.1° | 25.0° |
| H1 | N1 | C1 | C3 | 104.2° | 95.0° |
| H1 | N1 | C1 | H2 | 7.3° | 144.9° |
| H1 | N1 | C51 | C52 | 15.5° | 0.3° |
| H1 | N1 | C51 | O16 | 160.2° | 179.7° |
| C2 | C1 | C3 | H2 | 114.2° | 120.0° |
| C1 | C2 | O1 | N2 | 172.9° | 179.9° |
| C2 | C1 | C3 | C4 | 175.5° | 175.0° |
| C2 | C1 | C3 | H3 | 63.8° | 65.0° |
| C2 | C1 | C3 | H4 | 54.8° | 55.0° |
| C1 | C2 | N2 | C7 | 175.0° | 180.0° |
| C1 | C2 | N2 | H12 | 5.1° | 0.0° |
| C2 | C1 | N1 | C51 | 58.9° | 154.7° |
| C3 | C1 | C2 | O1 | 2.7° | 120.0° |
| C1 | C3 | C4 | H3 | 120.7° | 120.0° |
| C1 | C3 | C4 | H4 | 120.7° | 120.0° |
| C1 | C3 | H3 | H4 | 117.8° | 120.0° |
| C1 | C3 | C4 | C5 | 166.8° | 175.0° |
| C1 | C3 | C4 | C6 | 74.6° | 65.0° |
| C1 | C3 | C4 | H5 | 46.4° | 55.0° |
| C3 | C1 | C2 | N2 | 175.9° | 60.0° |
| C3 | C1 | N1 | C51 | 75.8° | 85.3° |
| H2 | C1 | C2 | O1 | 116.5° | 120.0° |
| H2 | C1 | C3 | C4 | 61.4° | 55.0° |
| H2 | C1 | C3 | H3 | 177.9° | 175.0° |
| H2 | C1 | C3 | H4 | 59.4° | 65.0° |
| H2 | C1 | C2 | N2 | 70.4° | 60.0° |
| H2 | C1 | N1 | C51 | 172.7° | 34.7° |
| O1 | C2 | N2 | C7 | 2.0° | 0.0° |
| O1 | C2 | N2 | H12 | 178.0° | 179.9° |
| C4 | C3 | H3 | H4 | 117.8° | 120.0° |
| C3 | C4 | C5 | C6 | 118.2° | 120.0° |
| C3 | C4 | C5 | H5 | 120.6° | 120.0° |
| C3 | C4 | C6 | H5 | 121.1° | 120.0° |
| C3 | C4 | C5 | H6 | 180.0° | 60.0° |
| C3 | C4 | C5 | H7 | 60.0° | 180.0° |
| C3 | C4 | C5 | H8 | 60.0° | 60.0° |
| C3 | C4 | C6 | H9 | 180.0° | 60.0° |
| C3 | C4 | C6 | H10 | 60.0° | 60.0° |
| C3 | C4 | C6 | H11 | 60.0° | 180.0° |
| H3 | C3 | C4 | C5 | 46.1° | 55.0° |
| H3 | C3 | C4 | C6 | 164.7° | 175.0° |
| H3 | C3 | C4 | H5 | 74.3° | 65.1° |
| H4 | C3 | C4 | C5 | 72.5° | 65.0° |
| H4 | C3 | C4 | C6 | 46.2° | 55.0° |
| H4 | C3 | C4 | H5 | 167.1° | 175.0° |
| C5 | C4 | C6 | H5 | 121.2° | 120.0° |
| C4 | C5 | H6 | H7 | 120.0° | 119.9° |
| C4 | C5 | H6 | H8 | 120.0° | 120.0° |
| C4 | C5 | H7 | H8 | 120.0° | 120.0° |
| C5 | C4 | C6 | H9 | 62.2° | 60.0° |
| C5 | C4 | C6 | H10 | 57.7° | 180.0° |
| C5 | C4 | C6 | H11 | 177.7° | 60.0° |
| C6 | C4 | C5 | H6 | 61.8° | 60.0° |
| C6 | C4 | C5 | H7 | 178.1° | 60.0° |
| C6 | C4 | C5 | H8 | 58.2° | 180.0° |
| C4 | C6 | H9 | H10 | 120.0° | 120.0° |
| C4 | C6 | H9 | H11 | 120.0° | 120.0° |
| C4 | C6 | H10 | H11 | 120.0° | 120.0° |
| H5 | C4 | C5 | H6 | 59.4° | 180.0° |
| H5 | C4 | C5 | H7 | 60.7° | 60.0° |
| H5 | C4 | C5 | H8 | 179.4° | 60.0° |
| H5 | C4 | C6 | H9 | 58.9° | 180.0° |
| H5 | C4 | C6 | H10 | 178.9° | 60.0° |
| H5 | C4 | C6 | H11 | 61.1° | 60.0° |
| H6 | C5 | H7 | H8 | 120.0° | 120.0° |
| H9 | C6 | H10 | H11 | 120.0° | 120.0° |
| C7 | N2 | H12 | C2 | 180.0° | 180.0° |
| N2 | C7 | C8 | C9 | 119.1° | 120.0° |
| N2 | C7 | C8 | H13 | 119.8° | 120.0° |
| N2 | C7 | C9 | H13 | 113.4° | 120.0° |
| N2 | C7 | C8 | O2 | 139.5° | 0.0° |
| N2 | C7 | C9 | C10 | 70.8° | 65.0° |
| N2 | C7 | C9 | H14 | 50.3° | 175.0° |
| N2 | C7 | C9 | H15 | 168.2° | 55.0° |
| N2 | C7 | C8 | N3 | 35.0° | 180.0° |
| H12 | N2 | C7 | C8 | 117.0° | 25.0° |
| H12 | N2 | C7 | C9 | 10.4° | 95.0° |
| H12 | N2 | C7 | H13 | 123.1° | 145.0° |
| C8 | C7 | C9 | H13 | 121.9° | 120.0° |
| C7 | C8 | O2 | N3 | 174.4° | 180.0° |
| C8 | C7 | C9 | C10 | 53.9° | 175.0° |
| C8 | C7 | C9 | H14 | 175.0° | 55.0° |
| C8 | C7 | C9 | H15 | 67.1° | 65.0° |
| C7 | C8 | N3 | C12 | 171.2° | 180.0° |
| C7 | C8 | N3 | H19 | 8.8° | 0.0° |
| C8 | C7 | N2 | C2 | 63.1° | 155.0° |
| C9 | C7 | C8 | O2 | 101.3° | 120.0° |
| C7 | C9 | C10 | H14 | 121.0° | 120.0° |
| C7 | C9 | C10 | H15 | 121.1° | 120.0° |
| C7 | C9 | H14 | H15 | 116.7° | 119.9° |
| C7 | C9 | C10 | C11 | 67.6° | 180.0° |
| C7 | C9 | C10 | H16 | 171.3° | 60.0° |
| C7 | C9 | C10 | H17 | 53.5° | 59.9° |
| C9 | C7 | N2 | C2 | 169.6° | 85.0° |
| C9 | C7 | C8 | N3 | 84.1° | 60.0° |
| H13 | C7 | C8 | O2 | 19.8° | 120.0° |
| H13 | C7 | C9 | C10 | 175.8° | 55.0° |
| H13 | C7 | C9 | H14 | 63.2° | 65.0° |
| H13 | C7 | C9 | H15 | 54.7° | 175.0° |
| H13 | C7 | N2 | C2 | 56.9° | 35.0° |
| H13 | C7 | C8 | N3 | 154.8° | 60.0° |
| O2 | C8 | N3 | C12 | 14.4° | 0.1° |
| O2 | C8 | N3 | H19 | 165.7° | 180.0° |
| C10 | C9 | H14 | H15 | 116.7° | 120.1° |
| C9 | C10 | C11 | H16 | 121.1° | 120.0° |
| C9 | C10 | C11 | H17 | 121.1° | 120.0° |
| C9 | C10 | H16 | H17 | 116.5° | 120.0° |
| C9 | C10 | C11 | O3 | 33.4° | 0.0° |
| C9 | C10 | C11 | O4 | 141.7° | 180.0° |
| H14 | C9 | C10 | C11 | 53.5° | 60.0° |
| H14 | C9 | C10 | H16 | 67.6° | 180.0° |
| H14 | C9 | C10 | H17 | 174.6° | 60.0° |
| H15 | C9 | C10 | C11 | 171.3° | 60.0° |
| H15 | C9 | C10 | H16 | 50.2° | 60.0° |
| H15 | C9 | C10 | H17 | 67.6° | 180.0° |
| C11 | C10 | H16 | H17 | 116.5° | 120.0° |
| C10 | C11 | O3 | O4 | 175.4° | 180.0° |
| C10 | C11 | O4 | H18 | 175.2° | 180.0° |
| H16 | C10 | C11 | O3 | 87.7° | 120.0° |
| H16 | C10 | C11 | O4 | 97.2° | 60.0° |
| H17 | C10 | C11 | O3 | 154.5° | 120.1° |
| H17 | C10 | C11 | O4 | 20.6° | 60.0° |
| O3 | C11 | O4 | H18 | 0.0° | 0.0° |
| N3 | C12 | C13 | C15 | 119.2° | 120.0° |
| N3 | C12 | C13 | H20 | 122.2° | 120.0° |
| N3 | C12 | C15 | H20 | 120.4° | 120.1° |
| N3 | C12 | C13 | O5 | 173.7° | 69.4° |
| N3 | C12 | C13 | C14 | 55.7° | 50.7° |
| N3 | C12 | C15 | O6 | 140.1° | 69.8° |
| C12 | N3 | H19 | C8 | 180.0° | 179.9° |
| N3 | C12 | C13 | H21 | 66.6° | 170.6° |
| N3 | C12 | C15 | N4 | 38.5° | 110.1° |
| C13 | C12 | C15 | H20 | 119.0° | 120.0° |
| C12 | C13 | O5 | C14 | 122.9° | 120.1° |
| C12 | C13 | O5 | H21 | 119.0° | 120.0° |
| C12 | C13 | C14 | H21 | 122.4° | 119.9° |
| C13 | C12 | C15 | O6 | 99.3° | 50.1° |
| C13 | C12 | N3 | H19 | 8.5° | 25.0° |
| C12 | C13 | C14 | H22 | 180.0° | 60.0° |
| C12 | C13 | C14 | H23 | 60.0° | 180.0° |
| C12 | C13 | C14 | H24 | 60.0° | 60.0° |
| C13 | C12 | N3 | C8 | 171.5° | 155.0° |
| C13 | C12 | C15 | N4 | 82.1° | 129.9° |
| C12 | C13 | O5 | C47 | 111.1° | 138.1° |
| C15 | C12 | C13 | O5 | 67.1° | 170.6° |
| C15 | C12 | C13 | C14 | 174.9° | 69.3° |
| C12 | C15 | O6 | N4 | 178.5° | 180.0° |
| C15 | C12 | N3 | H19 | 109.4° | 94.9° |
| C15 | C12 | C13 | H21 | 52.6° | 50.6° |
| C12 | C15 | N4 | C16 | 169.7° | 176.1° |
| C12 | C15 | N4 | H25 | 10.3° | 3.9° |
| C15 | C12 | N3 | C8 | 70.7° | 85.1° |
| O5 | C13 | C14 | H21 | 119.0° | 119.9° |
| O5 | C13 | C12 | H20 | 51.5° | 50.6° |
| O5 | C13 | C14 | H22 | 61.4° | 60.2° |
| O5 | C13 | C14 | H23 | 178.6° | 59.9° |
| O5 | C13 | C14 | H24 | 58.6° | 179.9° |
| C13 | O5 | C47 | C46 | 173.6° | 178.9° |
| C13 | O5 | C47 | O15 | 6.4° | 1.2° |
| C14 | C13 | C12 | H20 | 66.5° | 170.7° |
| C13 | C14 | H22 | H23 | 120.0° | 120.1° |
| C13 | C14 | H22 | H24 | 120.0° | 120.0° |
| C13 | C14 | H23 | H24 | 120.0° | 120.0° |
| C14 | C13 | O5 | C47 | 126.0° | 101.8° |
| O6 | C15 | C12 | H20 | 19.7° | 170.1° |
| O6 | C15 | N4 | C16 | 9.0° | 3.9° |
| O6 | C15 | N4 | H25 | 171.0° | 176.1° |
| H19 | N3 | C12 | H20 | 130.7° | 145.0° |
| H20 | C12 | C13 | H21 | 171.2° | 69.4° |
| H20 | C12 | N3 | C8 | 49.3° | 35.0° |
| H20 | C12 | C15 | N4 | 158.9° | 9.9° |
| H21 | C13 | C14 | H22 | 57.6° | 179.9° |
| H21 | C13 | C14 | H23 | 62.4° | 60.1° |
| H21 | C13 | C14 | H24 | 177.6° | 59.9° |
| H21 | C13 | O5 | C47 | 7.9° | 18.1° |
| H22 | C14 | H23 | H24 | 120.0° | 120.0° |
| C18 | C17 | C19 | C16 | 121.1° | 120.0° |
| C18 | C17 | C19 | H27 | 117.5° | 120.0° |
| C18 | C17 | C16 | H27 | 118.2° | 120.0° |
| C18 | C17 | C19 | C20 | 62.8° | 62.0° |
| C18 | C17 | C16 | N4 | 68.5° | 55.4° |
| C18 | C17 | C16 | C21 | 167.1° | 174.8° |
| C18 | C17 | C16 | H26 | 47.2° | 65.0° |
| C17 | C18 | H28 | H29 | 120.0° | 120.0° |
| C17 | C18 | H28 | H30 | 120.0° | 120.0° |
| C17 | C18 | H29 | H30 | 120.0° | 120.0° |
| C18 | C17 | C19 | H31 | 57.8° | 58.0° |
| C18 | C17 | C19 | H32 | 176.6° | 178.1° |
| C19 | C17 | C16 | H27 | 121.6° | 120.0° |
| C17 | C19 | C20 | H31 | 120.6° | 120.0° |
| C17 | C19 | C20 | H32 | 120.6° | 120.0° |
| C19 | C17 | C16 | N4 | 171.3° | 175.4° |
| C19 | C17 | C16 | C21 | 46.9° | 65.2° |
| C19 | C17 | C16 | H26 | 73.0° | 55.1° |
| C19 | C17 | C18 | H28 | 180.0° | 60.0° |
| C19 | C17 | C18 | H29 | 60.0° | 180.0° |
| C19 | C17 | C18 | H30 | 60.0° | 60.0° |
| C17 | C19 | H31 | H32 | 118.1° | 120.0° |
| C17 | C19 | C20 | H33 | 180.0° | 65.1° |
| C17 | C19 | C20 | H34 | 60.0° | 175.0° |
| C17 | C19 | C20 | H35 | 60.0° | 54.9° |
| C16 | C17 | C19 | C20 | 176.1° | 178.0° |
| C17 | C16 | N4 | C21 | 130.9° | 119.8° |
| C17 | C16 | N4 | H26 | 115.3° | 120.4° |
| C17 | C16 | C21 | H26 | 119.9° | 120.4° |
| C17 | C16 | C21 | O7 | 121.3° | 38.0° |
| C17 | C16 | N4 | H25 | 17.0° | 98.0° |
| C16 | C17 | C18 | H28 | 55.9° | 180.0° |
| C16 | C17 | C18 | H29 | 64.1° | 60.0° |
| C16 | C17 | C18 | H30 | 175.9° | 60.0° |
| C16 | C17 | C19 | H31 | 63.3° | 62.0° |
| C16 | C17 | C19 | H32 | 55.5° | 58.1° |
| C17 | C16 | N4 | C15 | 163.1° | 82.1° |
| C17 | C16 | C21 | N5 | 63.0° | 142.0° |
| C20 | C19 | C17 | H27 | 54.7° | 58.0° |
| C20 | C19 | H31 | H32 | 118.0° | 120.0° |
| C19 | C20 | H33 | H34 | 120.0° | 120.0° |
| C19 | C20 | H33 | H35 | 120.0° | 120.0° |
| C19 | C20 | H34 | H35 | 120.0° | 120.0° |
| N4 | C16 | C21 | H26 | 114.3° | 119.8° |
| N4 | C16 | C21 | O7 | 113.0° | 81.9° |
| C16 | N4 | H25 | C15 | 180.0° | 179.9° |
| N4 | C16 | C17 | H27 | 49.7° | 64.6° |
| N4 | C16 | C21 | N5 | 62.7° | 98.1° |
| C16 | C21 | O7 | N5 | 175.7° | 180.0° |
| C21 | C16 | N4 | H25 | 113.9° | 21.8° |
| C21 | C16 | C17 | H27 | 74.7° | 54.8° |
| C16 | C21 | N5 | C22 | 178.6° | 180.0° |
| C16 | C21 | N5 | H36 | 1.4° | 0.1° |
| C21 | C16 | N4 | C15 | 66.1° | 158.1° |
| O7 | C21 | C16 | H26 | 1.4° | 158.3° |
| O7 | C21 | N5 | C22 | 5.7° | 0.1° |
| O7 | C21 | N5 | H36 | 174.3° | 179.8° |
| H25 | N4 | C16 | H26 | 132.2° | 141.6° |
| H26 | C16 | C17 | H27 | 165.4° | 175.1° |
| H26 | C16 | N4 | C15 | 47.8° | 38.3° |
| H26 | C16 | C21 | N5 | 177.0° | 21.7° |
| H27 | C17 | C18 | H28 | 62.3° | 60.0° |
| H27 | C17 | C18 | H29 | 177.7° | 60.0° |
| H27 | C17 | C18 | H30 | 57.7° | 180.0° |
| H27 | C17 | C19 | H31 | 175.4° | 178.0° |
| H27 | C17 | C19 | H32 | 65.9° | 61.9° |
| H28 | C18 | H29 | H30 | 120.0° | 120.0° |
| H31 | C19 | C20 | H33 | 59.4° | 54.9° |
| H31 | C19 | C20 | H34 | 179.4° | 65.0° |
| H31 | C19 | C20 | H35 | 60.6° | 174.9° |
| H32 | C19 | C20 | H33 | 59.4° | 175.0° |
| H32 | C19 | C20 | H34 | 60.6° | 55.0° |
| H32 | C19 | C20 | H35 | 179.4° | 65.1° |
| H33 | C20 | H34 | H35 | 120.0° | 120.0° |
| C22 | N5 | H36 | C21 | 180.0° | 179.9° |
| N5 | C22 | C23 | C27 | 125.2° | 119.3° |
| N5 | C22 | C23 | H37 | 117.6° | 120.3° |
| N5 | C22 | C27 | H37 | 122.1° | 119.9° |
| N5 | C22 | C23 | C24 | 84.1° | 61.3° |
| N5 | C22 | C23 | H38 | 155.2° | 58.7° |
| N5 | C22 | C23 | H39 | 36.7° | 178.7° |
| N5 | C22 | C27 | O8 | 159.5° | 58.3° |
| N5 | C22 | C27 | N6 | 16.4° | 121.7° |
| H36 | N5 | C22 | C23 | 2.1° | 135.0° |
| H36 | N5 | C22 | C27 | 124.0° | 15.3° |
| H36 | N5 | C22 | H37 | 114.7° | 104.7° |
| C23 | C22 | C27 | H37 | 117.2° | 120.3° |
| C22 | C23 | C24 | H38 | 120.8° | 120.0° |
| C22 | C23 | C24 | H39 | 120.8° | 120.0° |
| C22 | C23 | H38 | H39 | 117.6° | 120.0° |
| C22 | C23 | C24 | C25 | 176.6° | 70.2° |
| C22 | C23 | C24 | C26 | 65.9° | 169.8° |
| C22 | C23 | C24 | H40 | 54.4° | 49.7° |
| C23 | C22 | C27 | O8 | 79.8° | 178.1° |
| C23 | C22 | N5 | C21 | 177.8° | 45.1° |
| C23 | C22 | C27 | N6 | 104.3° | 1.9° |
| C27 | C22 | C23 | C24 | 150.8° | 57.9° |
| C27 | C22 | C23 | H38 | 30.0° | 178.0° |
| C27 | C22 | C23 | H39 | 88.5° | 62.0° |
| C22 | C27 | O8 | N6 | 175.8° | 180.0° |
| C22 | C27 | N6 | C28 | 175.8° | 179.7° |
| C22 | C27 | N6 | H47 | 4.2° | 0.4° |
| C27 | C22 | N5 | C21 | 56.0° | 164.8° |
| H37 | C22 | C23 | C24 | 33.6° | 178.4° |
| H37 | C22 | C23 | H38 | 87.2° | 61.6° |
| H37 | C22 | C23 | H39 | 154.3° | 58.4° |
| H37 | C22 | C27 | O8 | 37.4° | 61.6° |
| H37 | C22 | N5 | C21 | 65.3° | 75.2° |
| H37 | C22 | C27 | N6 | 138.5° | 118.4° |
| C24 | C23 | H38 | H39 | 117.6° | 120.0° |
| C23 | C24 | C25 | C26 | 117.1° | 120.0° |
| C23 | C24 | C25 | H40 | 122.4° | 120.0° |
| C23 | C24 | C26 | H40 | 120.9° | 120.1° |
| C23 | C24 | C25 | H41 | 180.0° | 58.4° |
| C23 | C24 | C25 | H42 | 60.0° | 61.5° |
| C23 | C24 | C25 | H43 | 60.0° | 178.4° |
| C23 | C24 | C26 | H44 | 180.0° | 60.0° |
| C23 | C24 | C26 | H45 | 60.0° | 180.0° |
| C23 | C24 | C26 | H46 | 60.0° | 59.9° |
| H38 | C23 | C24 | C25 | 62.6° | 49.8° |
| H38 | C23 | C24 | C26 | 54.9° | 70.2° |
| H38 | C23 | C24 | H40 | 175.2° | 169.8° |
| H39 | C23 | C24 | C25 | 55.8° | 169.8° |
| H39 | C23 | C24 | C26 | 173.4° | 49.8° |
| H39 | C23 | C24 | H40 | 66.3° | 70.2° |
| C25 | C24 | C26 | H40 | 120.9° | 120.0° |
| C24 | C25 | H41 | H42 | 120.0° | 120.0° |
| C24 | C25 | H41 | H43 | 120.0° | 120.0° |
| C24 | C25 | H42 | H43 | 120.0° | 120.1° |
| C25 | C24 | C26 | H44 | 61.7° | 180.0° |
| C25 | C24 | C26 | H45 | 178.3° | 60.0° |
| C25 | C24 | C26 | H46 | 58.3° | 60.0° |
| C26 | C24 | C25 | H41 | 62.9° | 178.4° |
| C26 | C24 | C25 | H42 | 57.1° | 58.4° |
| C26 | C24 | C25 | H43 | 177.1° | 61.6° |
| C24 | C26 | H44 | H45 | 120.0° | 120.0° |
| C24 | C26 | H44 | H46 | 120.0° | 120.0° |
| C24 | C26 | H45 | H46 | 120.0° | 120.0° |
| H40 | C24 | C25 | H41 | 57.6° | 61.6° |
| H40 | C24 | C25 | H42 | 177.6° | 178.5° |
| H40 | C24 | C25 | H43 | 62.4° | 58.4° |
| H40 | C24 | C26 | H44 | 59.1° | 60.0° |
| H40 | C24 | C26 | H45 | 60.9° | 59.9° |
| H40 | C24 | C26 | H46 | 179.1° | 180.0° |
| H41 | C25 | H42 | H43 | 120.0° | 120.0° |
| H44 | C26 | H45 | H46 | 120.0° | 120.0° |
| O8 | C27 | N6 | C28 | 0.1° | 0.4° |
| O8 | C27 | N6 | H47 | 179.9° | 179.6° |
| C28 | N6 | H47 | C27 | 180.0° | 179.9° |
| N6 | C28 | C29 | C30 | 121.7° | 119.8° |
| N6 | C28 | C29 | H48 | 119.0° | 119.8° |
| N6 | C28 | C30 | H48 | 115.9° | 120.3° |
| N6 | C28 | C29 | O9 | 156.9° | 37.1° |
| N6 | C28 | C30 | O10 | 60.9° | 65.0° |
| N6 | C28 | C30 | H49 | 178.6° | 55.0° |
| N6 | C28 | C30 | H50 | 59.6° | 175.0° |
| N6 | C28 | C29 | N7 | 17.1° | 142.9° |
| H47 | N6 | C28 | C29 | 96.5° | 32.8° |
| H47 | N6 | C28 | C30 | 28.9° | 87.0° |
| H47 | N6 | C28 | H48 | 144.9° | 152.7° |
| C29 | C28 | C30 | H48 | 118.9° | 120.4° |
| C28 | C29 | O9 | N7 | 174.3° | 180.0° |
| C29 | C28 | C30 | O10 | 173.9° | 54.3° |
| C29 | C28 | C30 | H49 | 53.4° | 174.3° |
| C29 | C28 | C30 | H50 | 65.6° | 65.7° |
| C28 | C29 | N7 | C31 | 179.1° | 179.9° |
| C28 | C29 | N7 | H52 | 1.0° | 0.2° |
| C29 | C28 | N6 | C27 | 83.5° | 147.1° |
| C30 | C28 | C29 | O9 | 35.2° | 82.7° |
| C28 | C30 | O10 | H49 | 120.5° | 120.1° |
| C28 | C30 | O10 | H50 | 120.5° | 120.0° |
| C28 | C30 | H49 | H50 | 118.5° | 120.0° |
| C28 | C30 | O10 | H51 | 77.2° | 180.0° |
| C30 | C28 | N6 | C27 | 151.0° | 93.1° |
| C30 | C28 | C29 | N7 | 138.9° | 97.3° |
| H48 | C28 | C29 | O9 | 84.1° | 156.9° |
| H48 | C28 | C30 | O10 | 55.0° | 174.7° |
| H48 | C28 | C30 | H49 | 65.5° | 65.3° |
| H48 | C28 | C30 | H50 | 175.5° | 54.7° |
| H48 | C28 | N6 | C27 | 35.1° | 27.2° |
| H48 | C28 | C29 | N7 | 101.8° | 23.1° |
| O9 | C29 | N7 | C31 | 7.1° | 0.1° |
| O9 | C29 | N7 | H52 | 172.8° | 179.8° |
| O10 | C30 | H49 | H50 | 118.5° | 119.9° |
| H49 | C30 | O10 | H51 | 162.3° | 59.9° |
| H50 | C30 | O10 | H51 | 43.3° | 60.0° |
| C31 | N7 | H52 | C29 | 180.0° | 179.9° |
| N7 | C31 | C32 | C33 | 116.1° | 119.7° |
| N7 | C31 | C32 | H53 | 121.8° | 119.7° |
| N7 | C31 | C33 | H53 | 117.9° | 120.5° |
| N7 | C31 | C32 | O11 | 154.4° | 37.9° |
| N7 | C31 | C33 | C34 | 68.1° | 62.9° |
| N7 | C31 | C33 | H54 | 53.7° | 57.1° |
| N7 | C31 | C33 | H55 | 170.1° | 177.1° |
| N7 | C31 | C32 | N8 | 32.3° | 142.2° |
| H52 | N7 | C31 | C32 | 93.2° | 44.5° |
| H52 | N7 | C31 | C33 | 27.5° | 75.2° |
| H52 | N7 | C31 | H53 | 145.3° | 164.2° |
| C32 | C31 | C33 | H53 | 121.9° | 120.5° |
| C31 | C32 | O11 | N8 | 173.4° | 179.9° |
| C32 | C31 | C33 | C34 | 171.6° | 178.0° |
| C32 | C31 | C33 | H54 | 66.6° | 61.9° |
| C32 | C31 | C33 | H55 | 49.8° | 58.0° |
| C31 | C32 | N8 | C37 | 176.2° | 179.7° |
| C31 | C32 | N8 | H63 | 3.8° | 0.2° |
| C32 | C31 | N7 | C29 | 86.8° | 135.6° |
| C33 | C31 | C32 | O11 | 89.5° | 81.8° |
| C31 | C33 | C34 | H54 | 121.8° | 120.0° |
| C31 | C33 | C34 | H55 | 121.8° | 120.0° |
| C31 | C33 | H54 | H55 | 114.3° | 119.9° |
| C31 | C33 | C34 | C35 | 173.5° | 175.6° |
| C31 | C33 | C34 | C36 | 51.4° | 64.5° |
| C31 | C33 | C34 | H56 | 68.4° | 55.5° |
| C33 | C31 | N7 | C29 | 152.5° | 104.7° |
| C33 | C31 | C32 | N8 | 83.8° | 98.1° |
| H53 | C31 | C32 | O11 | 32.5° | 157.6° |
| H53 | C31 | C33 | C34 | 49.7° | 57.6° |
| H53 | C31 | C33 | H54 | 171.5° | 177.6° |
| H53 | C31 | C33 | H55 | 72.0° | 62.5° |
| H53 | C31 | N7 | C29 | 34.7° | 15.9° |
| H53 | C31 | C32 | N8 | 154.1° | 22.4° |
| O11 | C32 | N8 | C37 | 2.9° | 0.4° |
| O11 | C32 | N8 | H63 | 177.0° | 179.7° |
| C34 | C33 | H54 | H55 | 114.3° | 120.1° |
| C33 | C34 | C35 | C36 | 123.3° | 120.0° |
| C33 | C34 | C35 | H56 | 117.8° | 120.0° |
| C33 | C34 | C36 | H56 | 119.5° | 120.0° |
| C33 | C34 | C35 | H57 | 180.0° | 65.0° |
| C33 | C34 | C35 | H58 | 60.0° | 175.0° |
| C33 | C34 | C35 | H59 | 60.0° | 55.1° |
| C33 | C34 | C36 | H60 | 180.0° | 60.0° |
| C33 | C34 | C36 | H61 | 60.0° | 180.0° |
| C33 | C34 | C36 | H62 | 60.0° | 60.0° |
| H54 | C33 | C34 | C35 | 64.8° | 55.6° |
| H54 | C33 | C34 | C36 | 173.2° | 175.5° |
| H54 | C33 | C34 | H56 | 53.3° | 64.5° |
| H55 | C33 | C34 | C35 | 51.7° | 64.5° |
| H55 | C33 | C34 | C36 | 70.3° | 55.5° |
| H55 | C33 | C34 | H56 | 169.8° | 175.5° |
| C35 | C34 | C36 | H56 | 119.0° | 120.0° |
| C34 | C35 | H57 | H58 | 120.0° | 120.0° |
| C34 | C35 | H57 | H59 | 120.0° | 120.0° |
| C34 | C35 | H58 | H59 | 120.0° | 119.9° |
| C35 | C34 | C36 | H60 | 58.5° | 180.0° |
| C35 | C34 | C36 | H61 | 61.5° | 60.0° |
| C35 | C34 | C36 | H62 | 178.5° | 60.0° |
| C36 | C34 | C35 | H57 | 56.8° | 55.0° |
| C36 | C34 | C35 | H58 | 176.7° | 65.0° |
| C36 | C34 | C35 | H59 | 63.3° | 175.1° |
| C34 | C36 | H60 | H61 | 120.0° | 120.0° |
| C34 | C36 | H60 | H62 | 120.0° | 119.9° |
| C34 | C36 | H61 | H62 | 120.0° | 120.0° |
| H56 | C34 | C35 | H57 | 62.2° | 175.0° |
| H56 | C34 | C35 | H58 | 57.8° | 55.0° |
| H56 | C34 | C35 | H59 | 177.8° | 65.0° |
| H56 | C34 | C36 | H60 | 60.5° | 60.0° |
| H56 | C34 | C36 | H61 | 179.5° | 60.0° |
| H56 | C34 | C36 | H62 | 59.5° | 180.0° |
| H57 | C35 | H58 | H59 | 120.0° | 120.0° |
| H60 | C36 | H61 | H62 | 120.0° | 120.1° |
| C37 | N8 | H63 | C32 | 180.0° | 179.9° |
| N8 | C37 | C38 | C39 | 123.5° | 119.8° |
| N8 | C37 | C38 | H64 | 119.9° | 119.8° |
| N8 | C37 | C39 | H64 | 117.7° | 120.3° |
| N8 | C37 | C38 | O12 | 155.0° | 42.0° |
| N8 | C37 | C39 | C40 | 149.8° | 65.8° |
| N8 | C37 | C39 | H65 | 29.5° | 174.2° |
| N8 | C37 | C39 | H66 | 90.0° | 54.3° |
| N8 | C37 | C38 | N9 | 18.3° | 138.0° |
| H63 | N8 | C37 | C38 | 97.8° | 32.9° |
| H63 | N8 | C37 | C39 | 26.0° | 152.7° |
| H63 | N8 | C37 | H64 | 143.1° | 87.0° |
| C38 | C37 | C39 | H64 | 116.4° | 120.3° |
| C37 | C38 | O12 | N9 | 173.1° | 179.9° |
| C38 | C37 | C39 | C40 | 84.3° | 53.6° |
| C38 | C37 | C39 | H65 | 155.4° | 66.3° |
| C38 | C37 | C39 | H66 | 35.9° | 173.7° |
| C37 | C38 | N9 | C43 | 174.7° | 179.8° |
| C37 | C38 | N9 | H74 | 5.3° | 0.1° |
| C38 | C37 | N8 | C32 | 82.3° | 147.0° |
| C39 | C37 | C38 | O12 | 81.5° | 161.8° |
| C37 | C39 | C40 | H65 | 120.2° | 120.0° |
| C37 | C39 | C40 | H66 | 120.2° | 120.0° |
| C37 | C39 | H65 | H66 | 119.3° | 120.0° |
| C37 | C39 | C40 | C41 | 68.8° | 178.9° |
| C37 | C39 | C40 | C42 | 168.7° | 61.1° |
| C37 | C39 | C40 | H67 | 49.4° | 58.9° |
| C39 | C37 | N8 | C32 | 154.0° | 27.2° |
| C39 | C37 | C38 | N9 | 105.2° | 18.1° |
| H64 | C37 | C38 | O12 | 35.1° | 77.9° |
| H64 | C37 | C39 | C40 | 32.1° | 173.9° |
| H64 | C37 | C39 | H65 | 88.1° | 53.9° |
| H64 | C37 | C39 | H66 | 152.3° | 66.0° |
| H64 | C37 | N8 | C32 | 36.9° | 93.1° |
| H64 | C37 | C38 | N9 | 138.2° | 102.2° |
| O12 | C38 | N9 | C43 | 1.2° | 0.2° |
| O12 | C38 | N9 | H74 | 178.8° | 179.8° |
| C40 | C39 | H65 | H66 | 119.3° | 120.0° |
| C39 | C40 | C41 | C42 | 127.2° | 120.0° |
| C39 | C40 | C41 | H67 | 118.0° | 120.0° |
| C39 | C40 | C42 | H67 | 118.7° | 120.0° |
| C39 | C40 | C41 | H68 | 180.0° | 60.0° |
| C39 | C40 | C41 | H69 | 60.0° | 180.0° |
| C39 | C40 | C41 | H70 | 60.0° | 60.0° |
| C39 | C40 | C42 | H71 | 180.0° | 57.1° |
| C39 | C40 | C42 | H72 | 60.0° | 177.2° |
| C39 | C40 | C42 | H73 | 60.0° | 62.8° |
| H65 | C39 | C40 | C41 | 51.4° | 58.9° |
| H65 | C39 | C40 | C42 | 71.1° | 178.9° |
| H65 | C39 | C40 | H67 | 169.6° | 61.0° |
| H66 | C39 | C40 | C41 | 171.0° | 61.1° |
| H66 | C39 | C40 | C42 | 48.5° | 58.9° |
| H66 | C39 | C40 | H67 | 70.8° | 179.0° |
| C41 | C40 | C42 | H67 | 114.4° | 120.0° |
| C40 | C41 | H68 | H69 | 120.0° | 120.0° |
| C40 | C41 | H68 | H70 | 120.0° | 120.0° |
| C40 | C41 | H69 | H70 | 119.9° | 120.0° |
| C41 | C40 | C42 | H71 | 53.1° | 177.1° |
| C41 | C40 | C42 | H72 | 66.9° | 62.9° |
| C41 | C40 | C42 | H73 | 173.1° | 57.2° |
| C42 | C40 | C41 | H68 | 52.8° | 60.0° |
| C42 | C40 | C41 | H69 | 172.8° | 60.0° |
| C42 | C40 | C41 | H70 | 67.2° | 180.0° |
| C40 | C42 | H71 | H72 | 120.0° | 120.0° |
| C40 | C42 | H71 | H73 | 120.0° | 120.0° |
| C40 | C42 | H72 | H73 | 120.0° | 120.0° |
| H67 | C40 | C41 | H68 | 62.0° | 180.0° |
| H67 | C40 | C41 | H69 | 58.0° | 60.0° |
| H67 | C40 | C41 | H70 | 178.0° | 59.9° |
| H67 | C40 | C42 | H71 | 61.3° | 62.9° |
| H67 | C40 | C42 | H72 | 178.7° | 57.1° |
| H67 | C40 | C42 | H73 | 58.7° | 177.1° |
| H68 | C41 | H69 | H70 | 120.0° | 120.0° |
| H71 | C42 | H72 | H73 | 120.0° | 120.0° |
| C43 | N9 | H74 | C38 | 180.0° | 180.0° |
| N9 | C43 | C44 | C45 | 125.3° | 119.8° |
| N9 | C43 | C44 | H75 | 119.3° | 119.8° |
| N9 | C43 | C45 | H75 | 119.2° | 120.4° |
| N9 | C43 | C44 | O13 | 176.3° | 57.1° |
| N9 | C43 | C45 | O14 | 65.0° | 172.3° |
| N9 | C43 | C45 | H76 | 175.1° | 52.3° |
| N9 | C43 | C45 | H77 | 55.0° | 67.7° |
| N9 | C43 | C44 | N10 | 9.1° | 122.9° |
| H74 | N9 | C43 | C44 | 100.2° | 30.4° |
| H74 | N9 | C43 | C45 | 22.0° | 150.2° |
| H74 | N9 | C43 | H75 | 141.0° | 89.4° |
| C44 | C43 | C45 | H75 | 115.1° | 120.3° |
| C43 | C44 | O13 | N10 | 166.7° | 179.9° |
| C44 | C43 | C45 | O14 | 169.4° | 53.0° |
| C44 | C43 | C45 | H76 | 49.4° | 67.0° |
| C44 | C43 | C45 | H77 | 70.7° | 173.0° |
| C43 | C44 | N10 | C46 | 176.2° | 178.6° |
| C43 | C44 | N10 | H79 | 3.8° | 1.5° |
| C44 | C43 | N9 | C38 | 79.8° | 149.6° |
| C45 | C43 | C44 | O13 | 58.4° | 176.9° |
| C43 | C45 | O14 | H76 | 119.9° | 120.0° |
| C43 | C45 | O14 | H77 | 119.9° | 120.0° |
| C43 | C45 | H76 | H77 | 120.2° | 120.0° |
| C43 | C45 | O14 | H78 | 180.0° | 180.0° |
| C45 | C43 | N9 | C38 | 158.0° | 29.8° |
| C45 | C43 | C44 | N10 | 134.3° | 3.1° |
| H75 | C43 | C44 | O13 | 57.0° | 62.7° |
| H75 | C43 | C45 | O14 | 54.3° | 67.3° |
| H75 | C43 | C45 | H76 | 65.7° | 172.7° |
| H75 | C43 | C45 | H77 | 174.2° | 52.7° |
| H75 | C43 | N9 | C38 | 39.0° | 90.6° |
| H75 | C43 | C44 | N10 | 110.2° | 117.3° |
| O13 | C44 | N10 | C46 | 16.6° | 1.5° |
| O13 | C44 | N10 | H79 | 163.4° | 178.5° |
| O14 | C45 | H76 | H77 | 120.1° | 120.0° |
| H76 | C45 | O14 | H78 | 60.1° | 60.0° |
| H77 | C45 | O14 | H78 | 60.1° | 60.0° |
| C46 | N10 | H79 | C44 | 180.0° | 179.9° |
| N10 | C46 | C47 | C48 | 125.7° | 119.8° |
| N10 | C46 | C47 | H80 | 116.6° | 119.9° |
| N10 | C46 | C48 | H80 | 117.1° | 120.3° |
| N10 | C46 | C47 | O15 | 82.8° | 59.3° |
| N10 | C46 | C48 | C49 | 73.0° | 173.2° |
| N10 | C46 | C48 | C50 | 52.4° | 53.2° |
| N10 | C46 | C48 | H81 | 168.8° | 66.8° |
| N10 | C46 | C47 | O5 | 83.6° | 120.7° |
| H79 | N10 | C46 | C47 | 51.2° | 82.6° |
| H79 | N10 | C46 | C48 | 76.2° | 157.6° |
| H79 | N10 | C46 | H80 | 167.6° | 37.3° |
| C47 | C46 | C48 | H80 | 118.3° | 120.2° |
| C46 | C47 | O15 | O5 | 165.9° | 180.0° |
| C47 | C46 | C48 | C49 | 162.4° | 67.3° |
| C47 | C46 | C48 | C50 | 72.1° | 172.7° |
| C47 | C46 | C48 | H81 | 44.2° | 52.8° |
| C47 | C46 | N10 | C44 | 128.7° | 97.3° |
| C48 | C46 | C47 | O15 | 42.9° | 60.5° |
| C46 | C48 | C49 | C50 | 126.4° | 120.0° |
| C46 | C48 | C49 | H81 | 117.6° | 120.0° |
| C46 | C48 | C50 | H81 | 115.9° | 120.0° |
| C46 | C48 | C49 | H82 | 180.0° | 60.0° |
| C46 | C48 | C49 | H83 | 60.0° | 180.0° |
| C46 | C48 | C49 | H84 | 60.0° | 60.0° |
| C46 | C48 | C50 | H85 | 180.0° | 60.0° |
| C46 | C48 | C50 | H86 | 60.0° | 180.0° |
| C46 | C48 | C50 | H87 | 60.0° | 60.0° |
| C48 | C46 | C47 | O5 | 150.7° | 119.5° |
| C48 | C46 | N10 | C44 | 103.8° | 22.5° |
| H80 | C46 | C47 | O15 | 160.6° | 179.2° |
| H80 | C46 | C48 | C49 | 44.1° | 53.0° |
| H80 | C46 | C48 | C50 | 169.5° | 67.1° |
| H80 | C46 | C48 | H81 | 74.1° | 173.0° |
| H80 | C46 | C47 | O5 | 33.0° | 0.8° |
| H80 | C46 | N10 | C44 | 12.4° | 142.8° |
| C49 | C48 | C50 | H81 | 116.2° | 120.0° |
| C48 | C49 | H82 | H83 | 120.0° | 120.0° |
| C48 | C49 | H82 | H84 | 120.0° | 120.0° |
| C48 | C49 | H83 | H84 | 120.0° | 120.0° |
| C49 | C48 | C50 | H85 | 52.1° | 180.0° |
| C49 | C48 | C50 | H86 | 67.9° | 59.9° |
| C49 | C48 | C50 | H87 | 172.1° | 60.0° |
| C50 | C48 | C49 | H82 | 53.6° | 60.0° |
| C50 | C48 | C49 | H83 | 173.6° | 60.0° |
| C50 | C48 | C49 | H84 | 66.4° | 180.0° |
| C48 | C50 | H85 | H86 | 120.0° | 120.1° |
| C48 | C50 | H85 | H87 | 120.0° | 120.0° |
| C48 | C50 | H86 | H87 | 120.0° | 120.0° |
| H81 | C48 | C49 | H82 | 62.4° | 180.0° |
| H81 | C48 | C49 | H83 | 57.6° | 60.0° |
| H81 | C48 | C49 | H84 | 177.6° | 60.0° |
| H81 | C48 | C50 | H85 | 64.0° | 60.0° |
| H81 | C48 | C50 | H86 | 176.0° | 60.0° |
| H81 | C48 | C50 | H87 | 56.0° | 180.0° |
| H82 | C49 | H83 | H84 | 120.0° | 120.0° |
| H85 | C50 | H86 | H87 | 120.0° | 120.0° |
| C52 | C51 | O16 | N1 | 175.3° | 180.0° |
| C51 | C52 | C53 | H88 | 120.3° | 120.0° |
| C51 | C52 | C53 | H89 | 120.3° | 120.0° |
| C51 | C52 | H88 | H89 | 119.0° | 120.0° |
| C51 | C52 | C53 | C54 | 59.6° | 175.0° |
| C51 | C52 | C53 | O17 | 174.2° | 65.0° |
| C51 | C52 | C53 | H90 | 59.9° | 55.1° |
| O16 | C51 | C52 | C53 | 46.4° | 0.1° |
| O16 | C51 | C52 | H88 | 166.7° | 119.9° |
| O16 | C51 | C52 | H89 | 74.0° | 120.0° |
| C53 | C52 | H88 | H89 | 119.1° | 120.0° |
| C52 | C53 | C54 | O17 | 118.1° | 120.1° |
| C52 | C53 | C54 | H90 | 119.5° | 119.9° |
| C52 | C53 | O17 | H90 | 112.3° | 120.0° |
| C52 | C53 | C54 | C55 | 171.2° | 175.0° |
| C52 | C53 | C54 | H91 | 50.5° | 54.9° |
| C52 | C53 | C54 | H92 | 68.1° | 65.0° |
| C52 | C53 | O17 | H114 | 180.0° | 60.0° |
| C53 | C52 | C51 | N1 | 138.1° | 180.0° |
| H88 | C52 | C53 | C54 | 60.7° | 55.0° |
| H88 | C52 | C53 | O17 | 65.5° | 175.1° |
| H88 | C52 | C53 | H90 | 179.8° | 64.9° |
| H88 | C52 | C51 | N1 | 17.8° | 60.1° |
| H89 | C52 | C53 | C54 | 180.0° | 65.0° |
| H89 | C52 | C53 | O17 | 53.9° | 55.0° |
| H89 | C52 | C53 | H90 | 60.4° | 175.1° |
| H89 | C52 | C51 | N1 | 101.5° | 60.0° |
| C54 | C53 | O17 | H90 | 121.1° | 120.0° |
| C53 | C54 | C55 | H91 | 120.7° | 120.0° |
| C53 | C54 | C55 | H92 | 120.7° | 120.0° |
| C53 | C54 | H91 | H92 | 117.8° | 119.9° |
| C53 | C54 | C55 | C56 | 68.1° | 180.0° |
| C53 | C54 | C55 | H93 | 170.8° | 60.0° |
| C53 | C54 | C55 | H94 | 53.0° | 60.1° |
| C54 | C53 | O17 | H114 | 53.3° | 60.1° |
| O17 | C53 | C54 | C55 | 70.7° | 65.0° |
| O17 | C53 | C54 | H91 | 168.6° | 175.0° |
| O17 | C53 | C54 | H92 | 50.0° | 55.0° |
| H90 | C53 | C54 | C55 | 51.7° | 55.1° |
| H90 | C53 | C54 | H91 | 69.0° | 65.0° |
| H90 | C53 | C54 | H92 | 172.4° | 175.1° |
| H90 | C53 | O17 | H114 | 67.7° | 180.0° |
| C55 | C54 | H91 | H92 | 117.8° | 120.0° |
| C54 | C55 | C56 | H93 | 121.1° | 120.0° |
| C54 | C55 | C56 | H94 | 121.1° | 120.0° |
| C54 | C55 | H93 | H94 | 116.5° | 120.0° |
| C54 | C55 | C56 | C57 | 170.4° | 180.0° |
| C54 | C55 | C56 | H95 | 69.1° | 60.0° |
| C54 | C55 | C56 | H96 | 50.0° | 60.0° |
| H91 | C54 | C55 | C56 | 52.6° | 60.0° |
| H91 | C54 | C55 | H93 | 68.5° | 180.0° |
| H91 | C54 | C55 | H94 | 173.6° | 60.0° |
| H92 | C54 | C55 | C56 | 171.2° | 60.0° |
| H92 | C54 | C55 | H93 | 50.1° | 60.0° |
| H92 | C54 | C55 | H94 | 67.7° | 180.0° |
| C56 | C55 | H93 | H94 | 116.5° | 120.0° |
| C55 | C56 | C57 | H95 | 120.5° | 120.1° |
| C55 | C56 | C57 | H96 | 120.5° | 120.0° |
| C55 | C56 | H95 | H96 | 118.6° | 120.1° |
| C55 | C56 | C57 | C58 | 173.2° | 180.0° |
| C55 | C56 | C57 | H97 | 65.9° | 60.0° |
| C55 | C56 | C57 | H98 | 52.3° | 60.0° |
| H93 | C55 | C56 | C57 | 49.3° | 60.0° |
| H93 | C55 | C56 | H95 | 169.8° | 180.0° |
| H93 | C55 | C56 | H96 | 71.1° | 60.0° |
| H94 | C55 | C56 | C57 | 68.5° | 60.0° |
| H94 | C55 | C56 | H95 | 52.0° | 60.0° |
| H94 | C55 | C56 | H96 | 171.1° | 180.0° |
| C57 | C56 | H95 | H96 | 118.6° | 119.9° |
| C56 | C57 | C58 | H97 | 120.9° | 120.0° |
| C56 | C57 | C58 | H98 | 120.9° | 120.0° |
| C56 | C57 | H97 | H98 | 117.2° | 120.0° |
| C56 | C57 | C58 | C59 | 160.1° | 180.0° |
| C56 | C57 | C58 | H99 | 38.8° | 60.0° |
| C56 | C57 | C58 | H100 | 78.6° | 60.0° |
| H95 | C56 | C57 | C58 | 52.7° | 59.9° |
| H95 | C56 | C57 | H97 | 173.6° | 179.9° |
| H95 | C56 | C57 | H98 | 68.2° | 60.1° |
| H96 | C56 | C57 | C58 | 66.3° | 60.0° |
| H96 | C56 | C57 | H97 | 54.6° | 60.0° |
| H96 | C56 | C57 | H98 | 172.7° | 179.9° |
| C58 | C57 | H97 | H98 | 117.2° | 120.0° |
| C57 | C58 | C59 | H99 | 121.3° | 120.0° |
| C57 | C58 | C59 | H100 | 121.3° | 120.0° |
| C57 | C58 | H99 | H100 | 115.8° | 120.0° |
| C57 | C58 | C59 | C60 | 175.4° | 180.0° |
| C57 | C58 | C59 | H101 | 64.3° | 60.0° |
| C57 | C58 | C59 | H102 | 55.1° | 60.0° |
| H97 | C57 | C58 | C59 | 79.0° | 60.0° |
| H97 | C57 | C58 | H99 | 159.7° | 180.0° |
| H97 | C57 | C58 | H100 | 42.3° | 60.0° |
| H98 | C57 | C58 | C59 | 39.2° | 60.0° |
| H98 | C57 | C58 | H99 | 82.1° | 60.0° |
| H98 | C57 | C58 | H100 | 160.5° | 180.0° |
| C59 | C58 | H99 | H100 | 115.9° | 120.0° |
| C58 | C59 | C60 | H101 | 120.2° | 119.9° |
| C58 | C59 | C60 | H102 | 120.2° | 120.0° |
| C58 | C59 | H101 | H102 | 119.2° | 120.0° |
| C58 | C59 | C60 | C61 | 177.3° | 180.0° |
| C58 | C59 | C60 | H103 | 56.5° | 60.0° |
| C58 | C59 | C60 | H104 | 61.9° | 60.0° |
| H99 | C58 | C59 | C60 | 54.1° | 60.0° |
| H99 | C58 | C59 | H101 | 174.4° | 180.0° |
| H99 | C58 | C59 | H102 | 66.2° | 60.0° |
| H100 | C58 | C59 | C60 | 63.3° | 60.0° |
| H100 | C58 | C59 | H101 | 56.9° | 60.0° |
| H100 | C58 | C59 | H102 | 176.4° | 180.0° |
| C60 | C59 | H101 | H102 | 119.3° | 120.0° |
| C59 | C60 | C61 | H103 | 120.8° | 120.0° |
| C59 | C60 | C61 | H104 | 120.8° | 120.0° |
| C59 | C60 | H103 | H104 | 117.5° | 120.0° |
| C59 | C60 | C61 | C62 | 178.7° | 180.0° |
| C59 | C60 | C61 | H105 | 60.4° | 60.0° |
| C59 | C60 | C61 | H106 | 57.9° | 60.0° |
| H101 | C59 | C60 | C61 | 62.5° | 60.0° |
| H101 | C59 | C60 | H103 | 176.7° | 179.9° |
| H101 | C59 | C60 | H104 | 58.3° | 60.0° |
| H102 | C59 | C60 | C61 | 57.0° | 60.0° |
| H102 | C59 | C60 | H103 | 63.8° | 60.0° |
| H102 | C59 | C60 | H104 | 177.8° | 180.0° |
| C61 | C60 | H103 | H104 | 117.5° | 120.0° |
| C60 | C61 | C62 | H105 | 120.8° | 120.0° |
| C60 | C61 | C62 | H106 | 120.8° | 119.9° |
| C60 | C61 | H105 | H106 | 117.4° | 119.9° |
| C60 | C61 | C62 | C63 | 163.2° | 180.0° |
| C60 | C61 | C62 | H107 | 77.0° | 60.0° |
| C60 | C61 | C62 | H108 | 43.3° | 60.0° |
| H103 | C60 | C61 | C62 | 57.9° | 60.0° |
| H103 | C60 | C61 | H105 | 178.8° | 180.0° |
| H103 | C60 | C61 | H106 | 62.9° | 60.0° |
| H104 | C60 | C61 | C62 | 60.5° | 60.0° |
| H104 | C60 | C61 | H105 | 60.4° | 60.0° |
| H104 | C60 | C61 | H106 | 178.7° | 180.0° |
| C62 | C61 | H105 | H106 | 117.5° | 120.1° |
| C61 | C62 | C63 | H107 | 119.9° | 120.0° |
| C61 | C62 | C63 | H108 | 119.8° | 120.0° |
| C61 | C62 | H107 | H108 | 120.4° | 120.0° |
| C61 | C62 | C63 | C64 | 177.1° | 180.0° |
| C61 | C62 | C63 | H109 | 62.7° | 60.0° |
| C61 | C62 | C63 | H110 | 56.8° | 60.0° |
| H105 | C61 | C62 | C63 | 42.4° | 60.0° |
| H105 | C61 | C62 | H107 | 162.2° | 180.0° |
| H105 | C61 | C62 | H108 | 77.5° | 60.0° |
| H106 | C61 | C62 | C63 | 76.0° | 60.1° |
| H106 | C61 | C62 | H107 | 43.8° | 60.0° |
| H106 | C61 | C62 | H108 | 164.1° | 179.9° |
| C63 | C62 | H107 | H108 | 120.4° | 120.0° |
| C62 | C63 | C64 | H109 | 120.3° | 120.0° |
| C62 | C63 | C64 | H110 | 120.3° | 120.0° |
| C62 | C63 | H109 | H110 | 119.2° | 120.1° |
| C62 | C63 | C64 | H111 | 180.0° | 180.0° |
| C62 | C63 | C64 | H112 | 60.0° | 60.0° |
| C62 | C63 | C64 | H113 | 60.0° | 60.0° |
| H107 | C62 | C63 | C64 | 57.2° | 60.0° |
| H107 | C62 | C63 | H109 | 177.5° | 180.0° |
| H107 | C62 | C63 | H110 | 63.0° | 60.0° |
| H108 | C62 | C63 | C64 | 63.1° | 60.0° |
| H108 | C62 | C63 | H109 | 57.2° | 60.0° |
| H108 | C62 | C63 | H110 | 176.7° | 180.0° |
| C64 | C63 | H109 | H110 | 119.2° | 120.0° |
| C63 | C64 | H111 | H112 | 120.0° | 120.0° |
| C63 | C64 | H111 | H113 | 120.0° | 120.0° |
| C63 | C64 | H112 | H113 | 120.0° | 120.0° |
| H109 | C63 | C64 | H111 | 59.8° | 60.0° |
| H109 | C63 | C64 | H112 | 179.7° | 180.0° |
| H109 | C63 | C64 | H113 | 60.2° | 60.0° |
| H110 | C63 | C64 | H111 | 59.7° | 60.0° |
| H110 | C63 | C64 | H112 | 60.2° | 60.0° |
| H110 | C63 | C64 | H113 | 179.7° | 180.0° |
| H111 | C64 | H112 | H113 | 120.0° | 119.9° |
