PRD_000828
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.46Å | 1.41Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | C6 | sing | 1.53Å | 1.56Å | |
| C4 | O2 | doub | 1.21Å | 1.24Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | C7 | sing | 1.47Å | 1.49Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C7 | C9 | sing | 1.53Å | 1.61Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | O3 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.51Å | 1.42Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | O4 | doub | 1.21Å | 1.35Å | |
| C10 | N3 | sing | 1.35Å | 1.29Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| N4 | C11 | sing | 1.47Å | 1.41Å | |
| N4 | H17 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.56Å | |
| C11 | C13 | sing | 1.53Å | 1.49Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | O5 | doub | 1.21Å | 1.19Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.50Å | |
| C14 | C16 | sing | 1.53Å | 1.51Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| N5 | C17 | sing | 1.47Å | 1.47Å | |
| N5 | H28 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.54Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| C17 | C20 | sing | 1.53Å | 1.49Å | |
| C18 | O6 | doub | 1.21Å | 1.26Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| N6 | C21 | sing | 1.47Å | 1.48Å | |
| N6 | C25 | sing | 1.47Å | 1.50Å | |
| C21 | C22 | sing | 1.51Å | 1.48Å | |
| C21 | C23 | sing | 1.54Å | 1.54Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | O7 | doub | 1.21Å | 1.24Å | |
| C23 | C24 | sing | 1.55Å | 1.53Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.55Å | 1.42Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| N7 | C26 | sing | 1.46Å | 1.45Å | |
| N7 | H42 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C26 | C28 | sing | 1.53Å | 1.50Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | O8 | doub | 1.21Å | 1.22Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C28 | H45 | sing | 1.09Å | 1.10Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å | |
| N8 | C29 | sing | 1.47Å | 1.45Å | |
| N8 | H47 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.51Å | 1.53Å | |
| C29 | C31 | sing | 1.53Å | 1.50Å | |
| C29 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | O9 | doub | 1.21Å | 1.25Å | |
| C31 | C32 | sing | 1.53Å | 1.49Å | |
| C31 | C33 | sing | 1.53Å | 1.52Å | |
| C31 | H49 | sing | 1.09Å | 1.10Å | |
| C32 | H50 | sing | 1.09Å | 1.10Å | |
| C32 | H51 | sing | 1.09Å | 1.10Å | |
| C32 | H52 | sing | 1.09Å | 1.10Å | |
| C33 | H53 | sing | 1.09Å | 1.10Å | |
| C33 | H54 | sing | 1.09Å | 1.10Å | |
| C33 | H55 | sing | 1.09Å | 1.10Å | |
| N9 | C34 | sing | 1.46Å | 1.49Å | |
| N9 | H56 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.51Å | 1.54Å | |
| C34 | C36 | sing | 1.53Å | 1.52Å | |
| C34 | C37 | sing | 1.53Å | 1.49Å | |
| C35 | O10 | doub | 1.21Å | 1.25Å | |
| C36 | H57 | sing | 1.09Å | 1.10Å | |
| C36 | H58 | sing | 1.09Å | 1.10Å | |
| C36 | H59 | sing | 1.09Å | 1.10Å | |
| C37 | H60 | sing | 1.09Å | 1.10Å | |
| C37 | H61 | sing | 1.09Å | 1.10Å | |
| C37 | H62 | sing | 1.09Å | 1.10Å | |
| N10 | C38 | sing | 1.47Å | 1.46Å | |
| N10 | C42 | sing | 1.47Å | 1.49Å | |
| C38 | C39 | sing | 1.51Å | 1.50Å | |
| C38 | C40 | sing | 1.54Å | 1.55Å | |
| C38 | H63 | sing | 1.09Å | 1.10Å | |
| C39 | O11 | doub | 1.21Å | 1.23Å | |
| C40 | C41 | sing | 1.55Å | 1.52Å | |
| C40 | H64 | sing | 1.09Å | 1.10Å | |
| C40 | H65 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.55Å | 1.44Å | |
| C41 | H66 | sing | 1.09Å | 1.10Å | |
| C41 | H67 | sing | 1.09Å | 1.10Å | |
| C42 | H68 | sing | 1.09Å | 1.10Å | |
| C42 | H69 | sing | 1.09Å | 1.10Å | |
| N11 | C43 | sing | 1.47Å | 1.46Å | |
| N11 | H70 | sing | 0.97Å | 1.00Å | |
| C43 | C44 | sing | 1.51Å | 1.52Å | |
| C43 | C45 | sing | 1.53Å | 1.54Å | |
| C43 | C46 | sing | 1.53Å | 1.51Å | |
| C44 | O12 | doub | 1.21Å | 1.23Å | |
| C45 | H71 | sing | 1.09Å | 1.10Å | |
| C45 | H72 | sing | 1.09Å | 1.10Å | |
| C45 | H73 | sing | 1.09Å | 1.10Å | |
| C46 | H74 | sing | 1.09Å | 1.10Å | |
| C46 | H75 | sing | 1.09Å | 1.10Å | |
| C46 | H76 | sing | 1.09Å | 1.10Å | |
| N12 | C47 | sing | 1.46Å | 1.44Å | |
| N12 | H77 | sing | 0.97Å | 1.00Å | |
| C47 | C48 | sing | 1.51Å | 1.52Å | |
| C47 | C49 | sing | 1.53Å | 1.53Å | |
| C47 | H78 | sing | 1.09Å | 1.10Å | |
| C48 | O13 | doub | 1.21Å | 1.24Å | |
| C49 | C50 | sing | 1.53Å | 1.53Å | |
| C49 | H79 | sing | 1.09Å | 1.10Å | |
| C49 | H80 | sing | 1.09Å | 1.10Å | |
| C50 | C51 | sing | 1.53Å | 1.50Å | |
| C50 | C52 | sing | 1.53Å | 1.52Å | |
| C50 | H81 | sing | 1.09Å | 1.10Å | |
| C51 | H82 | sing | 1.09Å | 1.10Å | |
| C51 | H83 | sing | 1.09Å | 1.10Å | |
| C51 | H84 | sing | 1.09Å | 1.10Å | |
| C52 | H85 | sing | 1.09Å | 1.10Å | |
| C52 | H86 | sing | 1.09Å | 1.10Å | |
| C52 | H87 | sing | 1.09Å | 1.10Å | |
| N13 | C53 | sing | 1.47Å | 1.45Å | |
| N13 | H88 | sing | 0.97Å | 1.00Å | |
| C53 | C54 | sing | 1.51Å | 1.58Å | |
| C53 | C55 | sing | 1.53Å | 1.54Å | |
| C53 | C56 | sing | 1.53Å | 1.67Å | |
| C54 | O14 | doub | 1.21Å | 1.28Å | |
| C55 | H89 | sing | 1.09Å | 1.10Å | |
| C55 | H90 | sing | 1.09Å | 1.10Å | |
| C55 | H91 | sing | 1.09Å | 1.10Å | |
| C56 | H92 | sing | 1.09Å | 1.10Å | |
| C56 | H93 | sing | 1.09Å | 1.10Å | |
| C56 | H94 | sing | 1.09Å | 1.10Å | |
| N14 | C57 | sing | 1.47Å | 1.45Å | |
| N14 | C61 | sing | 1.47Å | 1.46Å | |
| C57 | C58 | sing | 1.51Å | 1.50Å | |
| C57 | C59 | sing | 1.54Å | 1.54Å | |
| C57 | H95 | sing | 1.09Å | 1.10Å | |
| C58 | O15 | doub | 1.21Å | 1.27Å | |
| C59 | C60 | sing | 1.55Å | 1.46Å | |
| C59 | H96 | sing | 1.09Å | 1.10Å | |
| C59 | H97 | sing | 1.09Å | 1.10Å | |
| C60 | C61 | sing | 1.55Å | 1.42Å | |
| C60 | H98 | sing | 1.09Å | 1.10Å | |
| C60 | H99 | sing | 1.09Å | 1.10Å | |
| C61 | H100 | sing | 1.09Å | 1.10Å | |
| C61 | H101 | sing | 1.09Å | 1.10Å | |
| N15 | C62 | sing | 1.47Å | 1.45Å | |
| N15 | H102 | sing | 0.97Å | 1.00Å | |
| C62 | C63 | sing | 1.53Å | 1.47Å | |
| C62 | C64 | sing | 1.53Å | 1.55Å | |
| C62 | H103 | sing | 1.09Å | 1.10Å | |
| C63 | O16 | sing | 1.43Å | 1.23Å | |
| C63 | H104 | sing | 1.09Å | 1.10Å | |
| C63 | H105 | sing | 1.09Å | 1.10Å | |
| C64 | C65 | sing | 1.53Å | 1.54Å | |
| C64 | H106 | sing | 1.09Å | 1.10Å | |
| C64 | H107 | sing | 1.09Å | 1.10Å | |
| C65 | C66 | sing | 1.53Å | 1.50Å | |
| C65 | C67 | sing | 1.53Å | 1.55Å | |
| C65 | H108 | sing | 1.09Å | 1.10Å | |
| C66 | H109 | sing | 1.09Å | 1.10Å | |
| C66 | H110 | sing | 1.09Å | 1.10Å | |
| C66 | H111 | sing | 1.09Å | 1.10Å | |
| C67 | H112 | sing | 1.09Å | 1.10Å | |
| C67 | H113 | sing | 1.09Å | 1.10Å | |
| C67 | H114 | sing | 1.09Å | 1.10Å | |
| O16 | H115 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C4 | N2 | sing | 1.35Å | 1.34Å | |
| C8 | N4 | sing | 1.35Å | 1.35Å | |
| C12 | N5 | sing | 1.35Å | 1.35Å | |
| C18 | N6 | sing | 1.35Å | 1.34Å | |
| C22 | N7 | sing | 1.35Å | 1.34Å | |
| C27 | N8 | sing | 1.35Å | 1.36Å | |
| C30 | N9 | sing | 1.35Å | 1.30Å | |
| C35 | N10 | sing | 1.35Å | 1.33Å | |
| C39 | N11 | sing | 1.35Å | 1.33Å | |
| C44 | N12 | sing | 1.35Å | 1.35Å | |
| C48 | N13 | sing | 1.35Å | 1.31Å | |
| C54 | N14 | sing | 1.35Å | 1.31Å | |
| C58 | N15 | sing | 1.35Å | 1.27Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.1° | 120.0° |
| O1 | C1 | N1 | 122.8° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.4° | 109.5° |
| C2 | C1 | N1 | 116.1° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 118.7° | 120.0° |
| N1 | C3 | C4 | 112.1° | 109.5° |
| N1 | C3 | C5 | 107.0° | 109.5° |
| N1 | C3 | C6 | 109.3° | 109.4° |
| C3 | N1 | C1 | 122.6° | 120.0° |
| H4 | N1 | C1 | 118.7° | 120.0° |
| C4 | C3 | C5 | 106.3° | 109.5° |
| C4 | C3 | C6 | 108.6° | 109.5° |
| C3 | C4 | O2 | 123.0° | 120.0° |
| C3 | C4 | N2 | 117.5° | 120.0° |
| C5 | C3 | C6 | 113.6° | 109.5° |
| C3 | C5 | H5 | 109.5° | 109.5° |
| C3 | C5 | H6 | 109.4° | 109.5° |
| C3 | C5 | H7 | 109.5° | 109.5° |
| C3 | C6 | H8 | 109.5° | 109.5° |
| C3 | C6 | H9 | 109.5° | 109.4° |
| C3 | C6 | H10 | 109.5° | 109.5° |
| O2 | C4 | N2 | 119.5° | 120.0° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H5 | C5 | H7 | 109.4° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H8 | C6 | H10 | 109.4° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| C7 | N2 | H11 | 119.3° | 120.0° |
| N2 | C7 | C8 | 112.9° | 109.5° |
| N2 | C7 | C9 | 115.0° | 109.4° |
| N2 | C7 | H12 | 107.9° | 109.5° |
| C7 | N2 | C4 | 121.4° | 120.0° |
| H11 | N2 | C4 | 119.3° | 120.0° |
| C8 | C7 | C9 | 106.6° | 109.5° |
| C8 | C7 | H12 | 107.7° | 109.5° |
| C7 | C8 | O3 | 120.2° | 120.0° |
| C7 | C8 | N4 | 116.9° | 120.0° |
| C9 | C7 | H12 | 106.5° | 109.5° |
| C7 | C9 | C10 | 115.0° | 109.5° |
| C7 | C9 | H13 | 108.1° | 109.5° |
| C7 | C9 | H14 | 108.1° | 109.5° |
| O3 | C8 | N4 | 122.9° | 120.0° |
| C10 | C9 | H13 | 108.1° | 109.5° |
| C10 | C9 | H14 | 108.1° | 109.4° |
| C9 | C10 | O4 | 115.0° | 120.0° |
| C9 | C10 | N3 | 121.0° | 120.0° |
| H13 | C9 | H14 | 109.5° | 109.5° |
| O4 | C10 | N3 | 123.8° | 120.0° |
| C10 | N3 | H15 | 120.0° | 119.9° |
| C10 | N3 | H16 | 120.0° | 120.0° |
| H15 | N3 | H16 | 120.0° | 120.1° |
| C11 | N4 | H17 | 118.9° | 120.0° |
| N4 | C11 | C12 | 113.8° | 109.5° |
| N4 | C11 | C13 | 111.7° | 109.5° |
| N4 | C11 | H18 | 108.0° | 109.5° |
| C11 | N4 | C8 | 122.3° | 120.0° |
| H17 | N4 | C8 | 118.9° | 120.0° |
| C12 | C11 | C13 | 109.6° | 109.5° |
| C12 | C11 | H18 | 106.2° | 109.5° |
| C11 | C12 | O5 | 120.6° | 120.0° |
| C11 | C12 | N5 | 115.3° | 120.0° |
| C13 | C11 | H18 | 107.1° | 109.4° |
| C11 | C13 | C14 | 115.2° | 109.5° |
| C11 | C13 | H19 | 108.0° | 109.5° |
| C11 | C13 | H20 | 108.0° | 109.5° |
| O5 | C12 | N5 | 123.6° | 120.0° |
| C14 | C13 | H19 | 108.0° | 109.5° |
| C14 | C13 | H20 | 108.0° | 109.5° |
| C13 | C14 | C15 | 111.4° | 109.5° |
| C13 | C14 | C16 | 112.3° | 109.5° |
| C13 | C14 | H21 | 108.2° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| C15 | C14 | C16 | 108.2° | 109.5° |
| C15 | C14 | H21 | 108.4° | 109.5° |
| C14 | C15 | H22 | 109.5° | 109.5° |
| C14 | C15 | H23 | 109.5° | 109.5° |
| C14 | C15 | H24 | 109.5° | 109.5° |
| C16 | C14 | H21 | 108.3° | 109.5° |
| C14 | C16 | H25 | 109.5° | 109.5° |
| C14 | C16 | H26 | 109.5° | 109.5° |
| C14 | C16 | H27 | 109.5° | 109.4° |
| H22 | C15 | H23 | 109.5° | 109.4° |
| H22 | C15 | H24 | 109.5° | 109.4° |
| H23 | C15 | H24 | 109.5° | 109.4° |
| H25 | C16 | H26 | 109.5° | 109.5° |
| H25 | C16 | H27 | 109.5° | 109.5° |
| H26 | C16 | H27 | 109.4° | 109.5° |
| C17 | N5 | H28 | 118.5° | 120.0° |
| N5 | C17 | C18 | 111.4° | 109.5° |
| N5 | C17 | C19 | 109.0° | 109.5° |
| N5 | C17 | C20 | 109.3° | 109.4° |
| C17 | N5 | C12 | 122.9° | 120.0° |
| H28 | N5 | C12 | 118.5° | 120.0° |
| C18 | C17 | C19 | 105.8° | 109.5° |
| C18 | C17 | C20 | 109.4° | 109.5° |
| C17 | C18 | O6 | 117.7° | 120.0° |
| C17 | C18 | N6 | 123.0° | 120.0° |
| C19 | C17 | C20 | 111.9° | 109.5° |
| C17 | C19 | H29 | 109.5° | 109.4° |
| C17 | C19 | H30 | 109.5° | 109.5° |
| C17 | C19 | H31 | 109.4° | 109.5° |
| C17 | C20 | H32 | 109.5° | 109.5° |
| C17 | C20 | H33 | 109.5° | 109.5° |
| C17 | C20 | H34 | 109.5° | 109.5° |
| O6 | C18 | N6 | 119.3° | 120.0° |
| H29 | C19 | H30 | 109.5° | 109.5° |
| H29 | C19 | H31 | 109.5° | 109.4° |
| H30 | C19 | H31 | 109.5° | 109.6° |
| H32 | C20 | H33 | 109.4° | 109.5° |
| H32 | C20 | H34 | 109.5° | 109.4° |
| H33 | C20 | H34 | 109.5° | 109.5° |
| C21 | N6 | C25 | 109.2° | 108.7° |
| N6 | C21 | C22 | 115.8° | 109.9° |
| N6 | C21 | C23 | 102.6° | 107.3° |
| N6 | C21 | H35 | 108.6° | 109.9° |
| C21 | N6 | C18 | 117.9° | 125.6° |
| N6 | C25 | C24 | 105.5° | 104.7° |
| N6 | C25 | H40 | 110.5° | 110.4° |
| N6 | C25 | H41 | 110.5° | 110.3° |
| C25 | N6 | C18 | 132.6° | 125.7° |
| C22 | C21 | C23 | 113.0° | 109.9° |
| C22 | C21 | H35 | 108.6° | 109.8° |
| C21 | C22 | O7 | 119.5° | 120.0° |
| C21 | C22 | N7 | 119.3° | 120.0° |
| C23 | C21 | H35 | 107.9° | 110.0° |
| C21 | C23 | C24 | 103.1° | 102.9° |
| C21 | C23 | H36 | 111.0° | 110.7° |
| C21 | C23 | H37 | 111.0° | 110.7° |
| O7 | C22 | N7 | 121.3° | 120.0° |
| C24 | C23 | H36 | 111.1° | 110.7° |
| C24 | C23 | H37 | 111.1° | 110.7° |
| C23 | C24 | C25 | 103.1° | 101.5° |
| C23 | C24 | H38 | 111.0° | 111.0° |
| C23 | C24 | H39 | 111.0° | 111.0° |
| H36 | C23 | H37 | 109.5° | 110.8° |
| C25 | C24 | H38 | 111.1° | 111.2° |
| C25 | C24 | H39 | 111.1° | 110.9° |
| C24 | C25 | H40 | 110.5° | 110.5° |
| C24 | C25 | H41 | 110.5° | 110.3° |
| H38 | C24 | H39 | 109.5° | 110.9° |
| H40 | C25 | H41 | 109.4° | 110.4° |
| C26 | N7 | H42 | 119.2° | 120.0° |
| N7 | C26 | C27 | 113.8° | 109.5° |
| N7 | C26 | C28 | 109.5° | 109.5° |
| N7 | C26 | H43 | 108.4° | 109.5° |
| C26 | N7 | C22 | 121.5° | 120.0° |
| H42 | N7 | C22 | 119.3° | 120.0° |
| C27 | C26 | C28 | 109.7° | 109.5° |
| C27 | C26 | H43 | 107.4° | 109.5° |
| C26 | C27 | O8 | 119.1° | 120.0° |
| C26 | C27 | N8 | 118.2° | 120.0° |
| C28 | C26 | H43 | 107.8° | 109.5° |
| C26 | C28 | H44 | 109.5° | 109.5° |
| C26 | C28 | H45 | 109.5° | 109.5° |
| C26 | C28 | H46 | 109.5° | 109.5° |
| O8 | C27 | N8 | 122.7° | 120.0° |
| H44 | C28 | H45 | 109.4° | 109.5° |
| H44 | C28 | H46 | 109.5° | 109.4° |
| H45 | C28 | H46 | 109.5° | 109.4° |
| C29 | N8 | H47 | 120.0° | 120.0° |
| N8 | C29 | C30 | 113.1° | 109.4° |
| N8 | C29 | C31 | 119.4° | 109.4° |
| N8 | C29 | H48 | 106.0° | 109.4° |
| C29 | N8 | C27 | 120.0° | 120.0° |
| H47 | N8 | C27 | 120.0° | 120.0° |
| C30 | C29 | C31 | 106.6° | 109.5° |
| C30 | C29 | H48 | 105.1° | 109.5° |
| C29 | C30 | O9 | 119.2° | 120.0° |
| C29 | C30 | N9 | 118.0° | 120.0° |
| C31 | C29 | H48 | 105.5° | 109.5° |
| C29 | C31 | C32 | 108.6° | 109.5° |
| C29 | C31 | C33 | 107.8° | 109.5° |
| C29 | C31 | H49 | 109.2° | 109.5° |
| O9 | C30 | N9 | 122.8° | 120.0° |
| C32 | C31 | C33 | 113.1° | 109.5° |
| C32 | C31 | H49 | 109.3° | 109.4° |
| C31 | C32 | H50 | 109.5° | 109.5° |
| C31 | C32 | H51 | 109.5° | 109.5° |
| C31 | C32 | H52 | 109.5° | 109.5° |
| C33 | C31 | H49 | 108.8° | 109.5° |
| C31 | C33 | H53 | 109.5° | 109.5° |
| C31 | C33 | H54 | 109.5° | 109.5° |
| C31 | C33 | H55 | 109.5° | 109.5° |
| H50 | C32 | H51 | 109.5° | 109.4° |
| H50 | C32 | H52 | 109.4° | 109.5° |
| H51 | C32 | H52 | 109.4° | 109.5° |
| H53 | C33 | H54 | 109.5° | 109.4° |
| H53 | C33 | H55 | 109.5° | 109.5° |
| H54 | C33 | H55 | 109.5° | 109.5° |
| C34 | N9 | H56 | 118.7° | 120.0° |
| N9 | C34 | C35 | 111.1° | 109.5° |
| N9 | C34 | C36 | 108.4° | 109.5° |
| N9 | C34 | C37 | 107.6° | 109.5° |
| C34 | N9 | C30 | 122.6° | 120.0° |
| H56 | N9 | C30 | 118.7° | 120.0° |
| C35 | C34 | C36 | 107.8° | 109.5° |
| C35 | C34 | C37 | 111.3° | 109.4° |
| C34 | C35 | O10 | 117.6° | 120.1° |
| C34 | C35 | N10 | 122.5° | 120.0° |
| C36 | C34 | C37 | 110.6° | 109.5° |
| C34 | C36 | H57 | 109.5° | 109.5° |
| C34 | C36 | H58 | 109.5° | 109.5° |
| C34 | C36 | H59 | 109.5° | 109.5° |
| C34 | C37 | H60 | 109.5° | 109.5° |
| C34 | C37 | H61 | 109.5° | 109.5° |
| C34 | C37 | H62 | 109.5° | 109.5° |
| O10 | C35 | N10 | 119.9° | 119.9° |
| H57 | C36 | H58 | 109.5° | 109.4° |
| H57 | C36 | H59 | 109.5° | 109.5° |
| H58 | C36 | H59 | 109.5° | 109.4° |
| H60 | C37 | H61 | 109.5° | 109.5° |
| H60 | C37 | H62 | 109.4° | 109.5° |
| H61 | C37 | H62 | 109.4° | 109.4° |
| C38 | N10 | C42 | 109.2° | 108.7° |
| N10 | C38 | C39 | 114.7° | 109.9° |
| N10 | C38 | C40 | 104.3° | 107.3° |
| N10 | C38 | H63 | 109.7° | 109.9° |
| C38 | N10 | C35 | 118.3° | 125.7° |
| N10 | C42 | C41 | 105.7° | 104.7° |
| N10 | C42 | H68 | 110.4° | 110.4° |
| N10 | C42 | H69 | 110.4° | 110.4° |
| C42 | N10 | C35 | 131.4° | 125.6° |
| C39 | C38 | C40 | 110.2° | 109.9° |
| C39 | C38 | H63 | 109.2° | 109.9° |
| C38 | C39 | O11 | 118.5° | 120.0° |
| C38 | C39 | N11 | 117.9° | 120.0° |
| C40 | C38 | H63 | 108.6° | 110.0° |
| C38 | C40 | C41 | 101.8° | 102.9° |
| C38 | C40 | H64 | 111.4° | 110.7° |
| C38 | C40 | H65 | 111.4° | 110.7° |
| O11 | C39 | N11 | 123.6° | 120.0° |
| C41 | C40 | H64 | 111.3° | 110.7° |
| C41 | C40 | H65 | 111.3° | 110.7° |
| C40 | C41 | C42 | 105.1° | 101.5° |
| C40 | C41 | H66 | 110.6° | 111.0° |
| C40 | C41 | H67 | 110.6° | 111.0° |
| H64 | C40 | H65 | 109.5° | 110.8° |
| C42 | C41 | H66 | 110.6° | 111.2° |
| C42 | C41 | H67 | 110.5° | 110.9° |
| C41 | C42 | H68 | 110.4° | 110.4° |
| C41 | C42 | H69 | 110.4° | 110.4° |
| H66 | C41 | H67 | 109.4° | 110.9° |
| H68 | C42 | H69 | 109.5° | 110.4° |
| C43 | N11 | H70 | 118.6° | 120.0° |
| N11 | C43 | C44 | 110.8° | 109.5° |
| N11 | C43 | C45 | 107.8° | 109.5° |
| N11 | C43 | C46 | 110.6° | 109.5° |
| C43 | N11 | C39 | 122.8° | 120.0° |
| H70 | N11 | C39 | 118.6° | 120.0° |
| C44 | C43 | C45 | 107.0° | 109.5° |
| C44 | C43 | C46 | 108.7° | 109.5° |
| C43 | C44 | O12 | 120.8° | 120.0° |
| C43 | C44 | N12 | 117.8° | 120.0° |
| C45 | C43 | C46 | 111.9° | 109.4° |
| C43 | C45 | H71 | 109.5° | 109.4° |
| C43 | C45 | H72 | 109.5° | 109.4° |
| C43 | C45 | H73 | 109.5° | 109.4° |
| C43 | C46 | H74 | 109.5° | 109.4° |
| C43 | C46 | H75 | 109.4° | 109.5° |
| C43 | C46 | H76 | 109.5° | 109.5° |
| O12 | C44 | N12 | 121.3° | 120.0° |
| H71 | C45 | H72 | 109.5° | 109.6° |
| H71 | C45 | H73 | 109.4° | 109.5° |
| H72 | C45 | H73 | 109.5° | 109.5° |
| H74 | C46 | H75 | 109.5° | 109.5° |
| H74 | C46 | H76 | 109.4° | 109.4° |
| H75 | C46 | H76 | 109.5° | 109.5° |
| C47 | N12 | H77 | 119.1° | 120.0° |
| N12 | C47 | C48 | 113.7° | 109.5° |
| N12 | C47 | C49 | 110.3° | 109.4° |
| N12 | C47 | H78 | 108.7° | 109.5° |
| C47 | N12 | C44 | 121.8° | 120.0° |
| H77 | N12 | C44 | 119.1° | 120.0° |
| C48 | C47 | C49 | 108.8° | 109.5° |
| C48 | C47 | H78 | 107.6° | 109.5° |
| C47 | C48 | O13 | 118.5° | 120.0° |
| C47 | C48 | N13 | 118.7° | 120.0° |
| C49 | C47 | H78 | 107.5° | 109.4° |
| C47 | C49 | C50 | 115.4° | 109.5° |
| C47 | C49 | H79 | 108.0° | 109.4° |
| C47 | C49 | H80 | 108.0° | 109.4° |
| O13 | C48 | N13 | 122.7° | 120.0° |
| C50 | C49 | H79 | 107.9° | 109.5° |
| C50 | C49 | H80 | 108.0° | 109.5° |
| C49 | C50 | C51 | 112.0° | 109.5° |
| C49 | C50 | C52 | 111.7° | 109.5° |
| C49 | C50 | H81 | 107.1° | 109.4° |
| H79 | C49 | H80 | 109.5° | 109.4° |
| C51 | C50 | C52 | 110.9° | 109.5° |
| C51 | C50 | H81 | 107.4° | 109.4° |
| C50 | C51 | H82 | 109.5° | 109.4° |
| C50 | C51 | H83 | 109.4° | 109.4° |
| C50 | C51 | H84 | 109.5° | 109.5° |
| C52 | C50 | H81 | 107.3° | 109.5° |
| C50 | C52 | H85 | 109.5° | 109.5° |
| C50 | C52 | H86 | 109.5° | 109.5° |
| C50 | C52 | H87 | 109.5° | 109.4° |
| H82 | C51 | H83 | 109.5° | 109.4° |
| H82 | C51 | H84 | 109.4° | 109.5° |
| H83 | C51 | H84 | 109.5° | 109.5° |
| H85 | C52 | H86 | 109.5° | 109.5° |
| H85 | C52 | H87 | 109.5° | 109.4° |
| H86 | C52 | H87 | 109.4° | 109.5° |
| C53 | N13 | H88 | 117.4° | 120.0° |
| N13 | C53 | C54 | 111.7° | 109.5° |
| N13 | C53 | C55 | 111.0° | 109.4° |
| N13 | C53 | C56 | 102.1° | 109.5° |
| C53 | N13 | C48 | 125.2° | 120.0° |
| H88 | N13 | C48 | 117.4° | 120.0° |
| C54 | C53 | C55 | 108.8° | 109.5° |
| C54 | C53 | C56 | 107.0° | 109.5° |
| C53 | C54 | O14 | 114.1° | 120.0° |
| C53 | C54 | N14 | 122.5° | 120.0° |
| C55 | C53 | C56 | 116.2° | 109.5° |
| C53 | C55 | H89 | 109.5° | 109.5° |
| C53 | C55 | H90 | 109.5° | 109.5° |
| C53 | C55 | H91 | 109.5° | 109.4° |
| C53 | C56 | H92 | 109.5° | 109.5° |
| C53 | C56 | H93 | 109.4° | 109.5° |
| C53 | C56 | H94 | 109.5° | 109.4° |
| O14 | C54 | N14 | 123.4° | 120.0° |
| H89 | C55 | H90 | 109.4° | 109.4° |
| H89 | C55 | H91 | 109.5° | 109.5° |
| H90 | C55 | H91 | 109.5° | 109.5° |
| H92 | C56 | H93 | 109.5° | 109.5° |
| H92 | C56 | H94 | 109.5° | 109.4° |
| H93 | C56 | H94 | 109.4° | 109.5° |
| C57 | N14 | C61 | 111.6° | 108.7° |
| N14 | C57 | C58 | 113.9° | 109.8° |
| N14 | C57 | C59 | 102.5° | 107.3° |
| N14 | C57 | H95 | 111.0° | 109.9° |
| C57 | N14 | C54 | 118.7° | 125.7° |
| N14 | C61 | C60 | 105.8° | 104.7° |
| N14 | C61 | H100 | 110.4° | 110.4° |
| N14 | C61 | H101 | 110.4° | 110.3° |
| C61 | N14 | C54 | 129.2° | 125.7° |
| C58 | C57 | C59 | 109.1° | 109.9° |
| C58 | C57 | H95 | 110.3° | 109.9° |
| C57 | C58 | O15 | 113.7° | 120.0° |
| C57 | C58 | N15 | 121.3° | 120.0° |
| C59 | C57 | H95 | 109.7° | 110.0° |
| C57 | C59 | C60 | 107.1° | 103.0° |
| C57 | C59 | H96 | 110.0° | 110.7° |
| C57 | C59 | H97 | 110.1° | 110.7° |
| O15 | C58 | N15 | 125.0° | 120.0° |
| C60 | C59 | H96 | 110.1° | 110.7° |
| C60 | C59 | H97 | 110.1° | 110.7° |
| C59 | C60 | C61 | 107.2° | 101.5° |
| C59 | C60 | H98 | 110.1° | 111.1° |
| C59 | C60 | H99 | 110.1° | 111.0° |
| H96 | C59 | H97 | 109.5° | 110.8° |
| C61 | C60 | H98 | 110.0° | 111.1° |
| C61 | C60 | H99 | 110.0° | 110.9° |
| C60 | C61 | H100 | 110.4° | 110.5° |
| C60 | C61 | H101 | 110.4° | 110.4° |
| H98 | C60 | H99 | 109.4° | 110.9° |
| H100 | C61 | H101 | 109.5° | 110.4° |
| C62 | N15 | H102 | 116.4° | 120.0° |
| N15 | C62 | C63 | 108.5° | 109.5° |
| N15 | C62 | C64 | 110.9° | 109.4° |
| N15 | C62 | H103 | 109.3° | 109.5° |
| C62 | N15 | C58 | 127.2° | 120.0° |
| H102 | N15 | C58 | 116.4° | 120.1° |
| C63 | C62 | C64 | 110.9° | 109.5° |
| C63 | C62 | H103 | 109.1° | 109.5° |
| C62 | C63 | O16 | 119.8° | 109.5° |
| C62 | C63 | H104 | 106.8° | 109.5° |
| C62 | C63 | H105 | 106.9° | 109.5° |
| C64 | C62 | H103 | 108.1° | 109.5° |
| C62 | C64 | C65 | 118.5° | 109.5° |
| C62 | C64 | H106 | 107.2° | 109.5° |
| C62 | C64 | H107 | 107.2° | 109.5° |
| O16 | C63 | H104 | 106.8° | 109.5° |
| O16 | C63 | H105 | 106.8° | 109.5° |
| C63 | O16 | H115 | 109.5° | 114.0° |
| H104 | C63 | H105 | 109.5° | 109.4° |
| C65 | C64 | H106 | 107.2° | 109.4° |
| C65 | C64 | H107 | 107.2° | 109.4° |
| C64 | C65 | C66 | 109.9° | 109.5° |
| C64 | C65 | C67 | 112.4° | 109.5° |
| C64 | C65 | H108 | 110.0° | 109.5° |
| H106 | C64 | H107 | 109.5° | 109.5° |
| C66 | C65 | C67 | 104.0° | 109.4° |
| C66 | C65 | H108 | 110.5° | 109.5° |
| C65 | C66 | H109 | 109.5° | 109.4° |
| C65 | C66 | H110 | 109.5° | 109.5° |
| C65 | C66 | H111 | 109.5° | 109.5° |
| C67 | C65 | H108 | 109.8° | 109.5° |
| C65 | C67 | H112 | 109.5° | 109.5° |
| C65 | C67 | H113 | 109.5° | 109.5° |
| C65 | C67 | H114 | 109.4° | 109.5° |
| H109 | C66 | H110 | 109.5° | 109.5° |
| H109 | C66 | H111 | 109.4° | 109.5° |
| H110 | C66 | H111 | 109.5° | 109.5° |
| H112 | C67 | H113 | 109.4° | 109.4° |
| H112 | C67 | H114 | 109.5° | 109.4° |
| H113 | C67 | H114 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 168.9° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 119.9° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 11.0° | 0.0° |
| O1 | C1 | N1 | H4 | 169.0° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 119.9° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 179.6° | 179.7° |
| C2 | C1 | N1 | H4 | 0.4° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.1° |
| H1 | C2 | C1 | N1 | 168.9° | 179.6° |
| H2 | C2 | C1 | N1 | 48.9° | 59.8° |
| H3 | C2 | C1 | N1 | 71.1° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 116.6° | 120.0° |
| N1 | C3 | C4 | C6 | 120.8° | 120.0° |
| N1 | C3 | C5 | C6 | 120.7° | 120.0° |
| N1 | C3 | C4 | O2 | 148.5° | 145.0° |
| N1 | C3 | C5 | H5 | 180.0° | 60.0° |
| N1 | C3 | C5 | H6 | 60.0° | 180.0° |
| N1 | C3 | C5 | H7 | 60.0° | 60.0° |
| N1 | C3 | C6 | H8 | 180.0° | 60.0° |
| N1 | C3 | C6 | H9 | 60.0° | 180.0° |
| N1 | C3 | C6 | H10 | 60.0° | 60.0° |
| N1 | C3 | C4 | N2 | 32.3° | 35.0° |
| H4 | N1 | C3 | C4 | 121.9° | 0.0° |
| H4 | N1 | C3 | C5 | 5.8° | 120.0° |
| H4 | N1 | C3 | C6 | 117.7° | 120.0° |
| C4 | C3 | C5 | C6 | 119.4° | 120.0° |
| C3 | C4 | O2 | N2 | 179.2° | 180.0° |
| C4 | C3 | C5 | H5 | 60.1° | 180.0° |
| C4 | C3 | C5 | H6 | 179.9° | 60.0° |
| C4 | C3 | C5 | H7 | 59.9° | 60.0° |
| C4 | C3 | C6 | H8 | 57.5° | 60.0° |
| C4 | C3 | C6 | H9 | 62.5° | 60.0° |
| C4 | C3 | C6 | H10 | 177.5° | 180.0° |
| C3 | C4 | N2 | C7 | 179.1° | 175.0° |
| C3 | C4 | N2 | H11 | 0.9° | 5.0° |
| C4 | C3 | N1 | C1 | 58.1° | 180.0° |
| C5 | C3 | C4 | O2 | 95.0° | 25.0° |
| C3 | C5 | H5 | H6 | 120.0° | 120.0° |
| C3 | C5 | H5 | H7 | 120.0° | 120.0° |
| C3 | C5 | H6 | H7 | 120.0° | 120.0° |
| C5 | C3 | C6 | H8 | 60.5° | 180.0° |
| C5 | C3 | C6 | H9 | 179.5° | 60.0° |
| C5 | C3 | C6 | H10 | 59.4° | 60.0° |
| C5 | C3 | N1 | C1 | 174.2° | 60.0° |
| C5 | C3 | C4 | N2 | 84.3° | 155.0° |
| C6 | C3 | C4 | O2 | 27.7° | 95.0° |
| C6 | C3 | C5 | H5 | 59.3° | 60.0° |
| C6 | C3 | C5 | H6 | 60.7° | 60.0° |
| C6 | C3 | C5 | H7 | 179.3° | 180.0° |
| C3 | C6 | H8 | H9 | 120.0° | 120.0° |
| C3 | C6 | H8 | H10 | 120.0° | 120.0° |
| C3 | C6 | H9 | H10 | 120.0° | 120.0° |
| C6 | C3 | N1 | C1 | 62.3° | 60.0° |
| C6 | C3 | C4 | N2 | 153.1° | 85.0° |
| O2 | C4 | N2 | C7 | 0.2° | 5.1° |
| O2 | C4 | N2 | H11 | 179.8° | 175.0° |
| H5 | C5 | H6 | H7 | 119.9° | 120.0° |
| H8 | C6 | H9 | H10 | 120.0° | 120.0° |
| C7 | N2 | H11 | C4 | 180.0° | 180.0° |
| N2 | C7 | C8 | C9 | 127.2° | 119.9° |
| N2 | C7 | C8 | H12 | 118.9° | 120.1° |
| N2 | C7 | C9 | H12 | 119.4° | 120.0° |
| N2 | C7 | C8 | O3 | 162.0° | 0.0° |
| N2 | C7 | C9 | C10 | 51.7° | 64.3° |
| N2 | C7 | C9 | H13 | 69.1° | 55.7° |
| N2 | C7 | C9 | H14 | 172.5° | 175.8° |
| N2 | C7 | C8 | N4 | 18.2° | 179.9° |
| H11 | N2 | C7 | C8 | 118.3° | 98.4° |
| H11 | N2 | C7 | C9 | 4.3° | 21.5° |
| H11 | N2 | C7 | H12 | 122.8° | 141.5° |
| C8 | C7 | C9 | H12 | 114.7° | 120.0° |
| C7 | C8 | O3 | N4 | 179.7° | 180.0° |
| C8 | C7 | C9 | C10 | 177.6° | 175.7° |
| C8 | C7 | C9 | H13 | 56.8° | 64.2° |
| C8 | C7 | C9 | H14 | 61.6° | 55.8° |
| C7 | C8 | N4 | C11 | 178.9° | 180.0° |
| C7 | C8 | N4 | H17 | 1.1° | 0.1° |
| C8 | C7 | N2 | C4 | 61.6° | 81.5° |
| C9 | C7 | C8 | O3 | 70.8° | 120.0° |
| C7 | C9 | C10 | H13 | 120.8° | 120.1° |
| C7 | C9 | C10 | H14 | 120.8° | 120.0° |
| C7 | C9 | H13 | H14 | 117.5° | 120.0° |
| C7 | C9 | C10 | O4 | 72.9° | 5.5° |
| C7 | C9 | C10 | N3 | 101.8° | 174.4° |
| C9 | C7 | N2 | C4 | 175.8° | 158.5° |
| C9 | C7 | C8 | N4 | 108.9° | 60.0° |
| H12 | C7 | C8 | O3 | 43.1° | 120.0° |
| H12 | C7 | C9 | C10 | 67.7° | 55.7° |
| H12 | C7 | C9 | H13 | 171.5° | 175.8° |
| H12 | C7 | C9 | H14 | 53.1° | 64.2° |
| H12 | C7 | N2 | C4 | 57.2° | 38.5° |
| H12 | C7 | C8 | N4 | 137.2° | 60.0° |
| O3 | C8 | N4 | C11 | 0.8° | 0.1° |
| O3 | C8 | N4 | H17 | 179.2° | 180.0° |
| C10 | C9 | H13 | H14 | 117.5° | 119.9° |
| C9 | C10 | O4 | N3 | 174.5° | 179.9° |
| C9 | C10 | N3 | H15 | 174.2° | 0.1° |
| C9 | C10 | N3 | H16 | 5.8° | 180.0° |
| H13 | C9 | C10 | O4 | 47.9° | 125.5° |
| H13 | C9 | C10 | N3 | 137.4° | 54.4° |
| H14 | C9 | C10 | O4 | 166.3° | 114.5° |
| H14 | C9 | C10 | N3 | 19.0° | 65.6° |
| O4 | C10 | N3 | H15 | 0.0° | 180.0° |
| O4 | C10 | N3 | H16 | 180.0° | 0.0° |
| C10 | N3 | H15 | H16 | 180.0° | 180.0° |
| C11 | N4 | H17 | C8 | 180.0° | 179.9° |
| N4 | C11 | C12 | C13 | 126.0° | 120.1° |
| N4 | C11 | C12 | H18 | 118.7° | 120.0° |
| N4 | C11 | C13 | H18 | 118.0° | 120.0° |
| N4 | C11 | C12 | O5 | 176.8° | 0.0° |
| N4 | C11 | C13 | C14 | 53.4° | 65.0° |
| N4 | C11 | C13 | H19 | 67.5° | 55.0° |
| N4 | C11 | C13 | H20 | 174.2° | 175.0° |
| N4 | C11 | C12 | N5 | 3.7° | 179.9° |
| H17 | N4 | C11 | C12 | 87.6° | 25.1° |
| H17 | N4 | C11 | C13 | 37.2° | 95.0° |
| H17 | N4 | C11 | H18 | 154.7° | 145.1° |
| C12 | C11 | C13 | H18 | 114.8° | 120.0° |
| C11 | C12 | O5 | N5 | 172.5° | 180.0° |
| C12 | C11 | C13 | C14 | 179.5° | 175.0° |
| C12 | C11 | C13 | H19 | 59.7° | 65.1° |
| C12 | C11 | C13 | H20 | 58.6° | 55.0° |
| C11 | C12 | N5 | C17 | 179.3° | 180.0° |
| C11 | C12 | N5 | H28 | 0.6° | 0.0° |
| C12 | C11 | N4 | C8 | 92.4° | 155.0° |
| C13 | C11 | C12 | O5 | 57.3° | 120.0° |
| C11 | C13 | C14 | H19 | 120.8° | 120.0° |
| C11 | C13 | C14 | H20 | 120.8° | 120.0° |
| C11 | C13 | H19 | H20 | 117.4° | 120.0° |
| C11 | C13 | C14 | C15 | 178.6° | 175.0° |
| C11 | C13 | C14 | C16 | 57.0° | 65.0° |
| C11 | C13 | C14 | H21 | 62.4° | 55.0° |
| C13 | C11 | N4 | C8 | 142.8° | 84.9° |
| C13 | C11 | C12 | N5 | 129.7° | 60.0° |
| H18 | C11 | C12 | O5 | 58.1° | 120.0° |
| H18 | C11 | C13 | C14 | 64.7° | 55.0° |
| H18 | C11 | C13 | H19 | 174.5° | 175.0° |
| H18 | C11 | C13 | H20 | 56.2° | 65.0° |
| H18 | C11 | N4 | C8 | 25.3° | 35.0° |
| H18 | C11 | C12 | N5 | 115.0° | 59.9° |
| O5 | C12 | N5 | C17 | 6.5° | 0.1° |
| O5 | C12 | N5 | H28 | 173.5° | 180.0° |
| C14 | C13 | H19 | H20 | 117.4° | 120.0° |
| C13 | C14 | C15 | C16 | 123.9° | 120.0° |
| C13 | C14 | C15 | H21 | 118.9° | 120.0° |
| C13 | C14 | C16 | H21 | 119.4° | 120.0° |
| C13 | C14 | C15 | H22 | 180.0° | 60.0° |
| C13 | C14 | C15 | H23 | 60.0° | 180.0° |
| C13 | C14 | C15 | H24 | 60.0° | 60.0° |
| C13 | C14 | C16 | H25 | 180.0° | 60.0° |
| C13 | C14 | C16 | H26 | 60.0° | 60.0° |
| C13 | C14 | C16 | H27 | 60.0° | 180.0° |
| H19 | C13 | C14 | C15 | 60.6° | 55.0° |
| H19 | C13 | C14 | C16 | 177.9° | 175.0° |
| H19 | C13 | C14 | H21 | 58.5° | 64.9° |
| H20 | C13 | C14 | C15 | 57.7° | 65.0° |
| H20 | C13 | C14 | C16 | 63.8° | 55.0° |
| H20 | C13 | C14 | H21 | 176.8° | 175.0° |
| C15 | C14 | C16 | H21 | 117.3° | 120.0° |
| C14 | C15 | H22 | H23 | 120.0° | 120.0° |
| C14 | C15 | H22 | H24 | 120.0° | 120.0° |
| C14 | C15 | H23 | H24 | 120.0° | 120.0° |
| C15 | C14 | C16 | H25 | 56.7° | 60.0° |
| C15 | C14 | C16 | H26 | 63.4° | 180.0° |
| C15 | C14 | C16 | H27 | 176.7° | 60.0° |
| C16 | C14 | C15 | H22 | 56.1° | 60.0° |
| C16 | C14 | C15 | H23 | 176.1° | 60.0° |
| C16 | C14 | C15 | H24 | 63.9° | 180.0° |
| C14 | C16 | H25 | H26 | 120.0° | 120.0° |
| C14 | C16 | H25 | H27 | 120.0° | 119.9° |
| C14 | C16 | H26 | H27 | 120.0° | 119.9° |
| H21 | C14 | C15 | H22 | 61.1° | 180.0° |
| H21 | C14 | C15 | H23 | 58.9° | 60.0° |
| H21 | C14 | C15 | H24 | 178.9° | 60.0° |
| H21 | C14 | C16 | H25 | 60.6° | 180.0° |
| H21 | C14 | C16 | H26 | 179.3° | 60.0° |
| H21 | C14 | C16 | H27 | 59.4° | 60.0° |
| H22 | C15 | H23 | H24 | 120.0° | 119.9° |
| H25 | C16 | H26 | H27 | 120.0° | 120.1° |
| C17 | N5 | H28 | C12 | 180.0° | 179.9° |
| N5 | C17 | C18 | C19 | 118.4° | 120.0° |
| N5 | C17 | C18 | C20 | 121.0° | 119.9° |
| N5 | C17 | C19 | C20 | 121.1° | 120.0° |
| N5 | C17 | C18 | O6 | 148.1° | 115.3° |
| N5 | C17 | C19 | H29 | 180.0° | 60.0° |
| N5 | C17 | C19 | H30 | 60.0° | 179.9° |
| N5 | C17 | C19 | H31 | 60.0° | 60.0° |
| N5 | C17 | C20 | H32 | 180.0° | 60.0° |
| N5 | C17 | C20 | H33 | 60.0° | 180.0° |
| N5 | C17 | C20 | H34 | 60.0° | 60.0° |
| N5 | C17 | C18 | N6 | 32.3° | 64.7° |
| H28 | N5 | C17 | C18 | 126.9° | 4.5° |
| H28 | N5 | C17 | C19 | 10.5° | 115.5° |
| H28 | N5 | C17 | C20 | 112.1° | 124.5° |
| C18 | C17 | C19 | C20 | 119.0° | 120.0° |
| C17 | C18 | O6 | N6 | 179.6° | 180.0° |
| C18 | C17 | C19 | H29 | 60.1° | 180.0° |
| C18 | C17 | C19 | H30 | 179.9° | 60.0° |
| C18 | C17 | C19 | H31 | 59.9° | 60.1° |
| C18 | C17 | C20 | H32 | 57.8° | 60.0° |
| C18 | C17 | C20 | H33 | 62.2° | 60.0° |
| C18 | C17 | C20 | H34 | 177.8° | 180.0° |
| C17 | C18 | N6 | C21 | 176.5° | 175.6° |
| C17 | C18 | N6 | C25 | 11.0° | 4.1° |
| C18 | C17 | N5 | C12 | 53.1° | 175.6° |
| C19 | C17 | C18 | O6 | 93.6° | 4.8° |
| C17 | C19 | H29 | H30 | 120.0° | 120.0° |
| C17 | C19 | H29 | H31 | 120.0° | 120.0° |
| C17 | C19 | H30 | H31 | 120.0° | 120.0° |
| C19 | C17 | C20 | H32 | 59.1° | 180.0° |
| C19 | C17 | C20 | H33 | 179.1° | 60.0° |
| C19 | C17 | C20 | H34 | 60.9° | 60.0° |
| C19 | C17 | N5 | C12 | 169.5° | 64.4° |
| C19 | C17 | C18 | N6 | 86.0° | 175.2° |
| C20 | C17 | C18 | O6 | 27.1° | 124.8° |
| C20 | C17 | C19 | H29 | 58.9° | 60.0° |
| C20 | C17 | C19 | H30 | 61.1° | 60.0° |
| C20 | C17 | C19 | H31 | 178.9° | 179.9° |
| C17 | C20 | H32 | H33 | 120.0° | 120.0° |
| C17 | C20 | H32 | H34 | 120.0° | 120.0° |
| C17 | C20 | H33 | H34 | 120.0° | 120.0° |
| C20 | C17 | N5 | C12 | 67.9° | 55.6° |
| C20 | C17 | C18 | N6 | 153.3° | 55.2° |
| O6 | C18 | N6 | C21 | 3.9° | 4.4° |
| O6 | C18 | N6 | C25 | 168.6° | 175.9° |
| H29 | C19 | H30 | H31 | 120.0° | 120.0° |
| H32 | C20 | H33 | H34 | 120.0° | 120.0° |
| C21 | N6 | C25 | C18 | 173.0° | 179.7° |
| N6 | C21 | C22 | C23 | 117.9° | 117.8° |
| N6 | C21 | C22 | H35 | 122.4° | 121.1° |
| N6 | C21 | C23 | H35 | 114.5° | 119.6° |
| N6 | C21 | C22 | O7 | 158.5° | 0.0° |
| N6 | C21 | C23 | C24 | 29.0° | 22.2° |
| N6 | C21 | C23 | H36 | 89.9° | 140.6° |
| N6 | C21 | C23 | H37 | 148.0° | 96.2° |
| C21 | N6 | C25 | C24 | 18.0° | 24.5° |
| C21 | N6 | C25 | H40 | 137.4° | 94.5° |
| C21 | N6 | C25 | H41 | 101.3° | 143.2° |
| N6 | C21 | C22 | N7 | 22.2° | 180.0° |
| C25 | N6 | C21 | C22 | 131.5° | 120.7° |
| C25 | N6 | C21 | C23 | 7.9° | 1.3° |
| C25 | N6 | C21 | H35 | 106.1° | 118.3° |
| N6 | C25 | C24 | C23 | 36.0° | 37.3° |
| N6 | C25 | C24 | H40 | 119.4° | 118.9° |
| N6 | C25 | C24 | H41 | 119.4° | 118.7° |
| N6 | C25 | C24 | H38 | 155.0° | 80.8° |
| N6 | C25 | C24 | H39 | 82.9° | 155.3° |
| N6 | C25 | H40 | H41 | 121.8° | 122.3° |
| C22 | C21 | C23 | H35 | 120.0° | 121.0° |
| C21 | C22 | O7 | N7 | 179.3° | 180.0° |
| C22 | C21 | C23 | C24 | 154.5° | 97.3° |
| C22 | C21 | C23 | H36 | 35.5° | 21.1° |
| C22 | C21 | C23 | H37 | 86.5° | 144.4° |
| C21 | C22 | N7 | C26 | 179.7° | 180.0° |
| C21 | C22 | N7 | H42 | 0.3° | 0.0° |
| C22 | C21 | N6 | C18 | 54.4° | 59.6° |
| C23 | C21 | C22 | O7 | 83.6° | 117.8° |
| C21 | C23 | C24 | H36 | 119.0° | 118.4° |
| C21 | C23 | C24 | H37 | 119.0° | 118.3° |
| C21 | C23 | H36 | H37 | 122.9° | 123.2° |
| C21 | C23 | C24 | C25 | 41.1° | 35.7° |
| C21 | C23 | C24 | H38 | 160.1° | 82.6° |
| C21 | C23 | C24 | H39 | 77.9° | 153.5° |
| C23 | C21 | N6 | C18 | 177.9° | 179.0° |
| C23 | C21 | C22 | N7 | 95.8° | 62.1° |
| H35 | C21 | C22 | O7 | 36.0° | 121.1° |
| H35 | C21 | C23 | C24 | 85.5° | 141.7° |
| H35 | C21 | C23 | H36 | 155.5° | 99.9° |
| H35 | C21 | C23 | H37 | 33.5° | 23.4° |
| H35 | C21 | N6 | C18 | 68.1° | 61.4° |
| H35 | C21 | C22 | N7 | 144.6° | 59.0° |
| O7 | C22 | N7 | C26 | 0.9° | 0.0° |
| O7 | C22 | N7 | H42 | 179.0° | 180.0° |
| C24 | C23 | H36 | H37 | 123.0° | 123.3° |
| C23 | C24 | C25 | H38 | 119.0° | 118.1° |
| C23 | C24 | C25 | H39 | 119.0° | 118.0° |
| C23 | C24 | H38 | H39 | 122.9° | 124.0° |
| C23 | C24 | C25 | H40 | 155.4° | 81.6° |
| C23 | C24 | C25 | H41 | 83.3° | 156.0° |
| H36 | C23 | C24 | C25 | 77.9° | 154.0° |
| H36 | C23 | C24 | H38 | 41.1° | 35.8° |
| H36 | C23 | C24 | H39 | 163.1° | 88.1° |
| H37 | C23 | C24 | C25 | 160.1° | 82.7° |
| H37 | C23 | C24 | H38 | 81.0° | 159.1° |
| H37 | C23 | C24 | H39 | 41.1° | 35.2° |
| C25 | C24 | H38 | H39 | 123.0° | 123.9° |
| C24 | C25 | H40 | H41 | 121.9° | 122.3° |
| C24 | C25 | N6 | C18 | 154.9° | 155.8° |
| H38 | C24 | C25 | H40 | 85.6° | 160.3° |
| H38 | C24 | C25 | H41 | 35.6° | 38.0° |
| H39 | C24 | C25 | H40 | 36.4° | 36.4° |
| H39 | C24 | C25 | H41 | 157.7° | 86.0° |
| H40 | C25 | N6 | C18 | 35.6° | 85.2° |
| H41 | C25 | N6 | C18 | 85.7° | 37.1° |
| C26 | N7 | H42 | C22 | 180.0° | 180.0° |
| N7 | C26 | C27 | C28 | 123.1° | 120.0° |
| N7 | C26 | C27 | H43 | 120.0° | 120.0° |
| N7 | C26 | C28 | H43 | 117.7° | 120.0° |
| N7 | C26 | C27 | O8 | 155.0° | 0.0° |
| N7 | C26 | C28 | H44 | 180.0° | 60.0° |
| N7 | C26 | C28 | H45 | 60.0° | 180.0° |
| N7 | C26 | C28 | H46 | 60.0° | 60.0° |
| N7 | C26 | C27 | N8 | 26.5° | 180.0° |
| H42 | N7 | C26 | C27 | 123.0° | 25.0° |
| H42 | N7 | C26 | C28 | 0.2° | 95.0° |
| H42 | N7 | C26 | H43 | 117.6° | 145.0° |
| C27 | C26 | C28 | H43 | 116.7° | 120.0° |
| C26 | C27 | O8 | N8 | 178.4° | 180.0° |
| C27 | C26 | C28 | H44 | 54.4° | 60.0° |
| C27 | C26 | C28 | H45 | 174.4° | 60.0° |
| C27 | C26 | C28 | H46 | 65.6° | 180.0° |
| C26 | C27 | N8 | C29 | 177.4° | 180.0° |
| C26 | C27 | N8 | H47 | 2.6° | 0.1° |
| C27 | C26 | N7 | C22 | 57.0° | 155.0° |
| C28 | C26 | C27 | O8 | 81.9° | 120.0° |
| C26 | C28 | H44 | H45 | 120.0° | 120.1° |
| C26 | C28 | H44 | H46 | 120.0° | 120.0° |
| C26 | C28 | H45 | H46 | 120.0° | 120.0° |
| C28 | C26 | N7 | C22 | 179.8° | 85.0° |
| C28 | C26 | C27 | N8 | 96.6° | 60.0° |
| H43 | C26 | C27 | O8 | 35.0° | 120.0° |
| H43 | C26 | C28 | H44 | 62.3° | 180.0° |
| H43 | C26 | C28 | H45 | 57.7° | 60.0° |
| H43 | C26 | C28 | H46 | 177.7° | 60.0° |
| H43 | C26 | N7 | C22 | 62.4° | 35.0° |
| H43 | C26 | C27 | N8 | 146.5° | 60.0° |
| O8 | C27 | N8 | C29 | 4.2° | 0.0° |
| O8 | C27 | N8 | H47 | 175.8° | 179.9° |
| H44 | C28 | H45 | H46 | 120.0° | 119.9° |
| C29 | N8 | H47 | C27 | 180.0° | 179.9° |
| N8 | C29 | C30 | C31 | 133.2° | 120.0° |
| N8 | C29 | C30 | H48 | 115.2° | 120.0° |
| N8 | C29 | C31 | H48 | 119.0° | 120.0° |
| N8 | C29 | C30 | O9 | 170.4° | 1.1° |
| N8 | C29 | C31 | C32 | 62.9° | 61.3° |
| N8 | C29 | C31 | C33 | 60.0° | 58.7° |
| N8 | C29 | C31 | H49 | 178.0° | 178.8° |
| N8 | C29 | C30 | N9 | 10.1° | 178.8° |
| H47 | N8 | C29 | C30 | 89.6° | 25.0° |
| H47 | N8 | C29 | C31 | 37.0° | 94.9° |
| H47 | N8 | C29 | H48 | 155.8° | 145.1° |
| C30 | C29 | C31 | H48 | 111.4° | 120.1° |
| C29 | C30 | O9 | N9 | 179.5° | 180.0° |
| C30 | C29 | C31 | C32 | 167.5° | 178.7° |
| C30 | C29 | C31 | C33 | 69.6° | 61.2° |
| C30 | C29 | C31 | H49 | 48.4° | 58.8° |
| C29 | C30 | N9 | C34 | 173.9° | 175.2° |
| C29 | C30 | N9 | H56 | 6.1° | 4.8° |
| C30 | C29 | N8 | C27 | 90.4° | 155.0° |
| C31 | C29 | C30 | O9 | 56.5° | 118.8° |
| C29 | C31 | C32 | C33 | 119.6° | 120.0° |
| C29 | C31 | C32 | H49 | 119.0° | 120.0° |
| C29 | C31 | C33 | H49 | 118.3° | 120.0° |
| C29 | C31 | C32 | H50 | 180.0° | 65.4° |
| C29 | C31 | C32 | H51 | 60.0° | 174.6° |
| C29 | C31 | C32 | H52 | 60.0° | 54.6° |
| C29 | C31 | C33 | H53 | 180.0° | 60.0° |
| C29 | C31 | C33 | H54 | 60.0° | 180.0° |
| C29 | C31 | C33 | H55 | 60.0° | 60.0° |
| C31 | C29 | N8 | C27 | 143.0° | 85.0° |
| C31 | C29 | C30 | N9 | 123.1° | 61.2° |
| H48 | C29 | C30 | O9 | 55.2° | 121.1° |
| H48 | C29 | C31 | C32 | 56.1° | 58.7° |
| H48 | C29 | C31 | C33 | 179.0° | 178.7° |
| H48 | C29 | C31 | H49 | 63.0° | 61.3° |
| H48 | C29 | N8 | C27 | 24.2° | 35.0° |
| H48 | C29 | C30 | N9 | 125.3° | 58.9° |
| O9 | C30 | N9 | C34 | 5.6° | 4.7° |
| O9 | C30 | N9 | H56 | 174.4° | 175.2° |
| C32 | C31 | C33 | H49 | 121.6° | 119.9° |
| C31 | C32 | H50 | H51 | 120.0° | 120.0° |
| C31 | C32 | H50 | H52 | 120.0° | 120.0° |
| C31 | C32 | H51 | H52 | 120.0° | 120.1° |
| C32 | C31 | C33 | H53 | 59.9° | 180.0° |
| C32 | C31 | C33 | H54 | 60.1° | 60.0° |
| C32 | C31 | C33 | H55 | 179.9° | 60.0° |
| C33 | C31 | C32 | H50 | 60.4° | 54.6° |
| C33 | C31 | C32 | H51 | 179.6° | 65.3° |
| C33 | C31 | C32 | H52 | 59.6° | 174.6° |
| C31 | C33 | H53 | H54 | 120.0° | 120.0° |
| C31 | C33 | H53 | H55 | 120.0° | 120.1° |
| C31 | C33 | H54 | H55 | 120.0° | 120.1° |
| H49 | C31 | C32 | H50 | 61.0° | 174.6° |
| H49 | C31 | C32 | H51 | 59.0° | 54.7° |
| H49 | C31 | C32 | H52 | 179.0° | 65.4° |
| H49 | C31 | C33 | H53 | 61.7° | 60.0° |
| H49 | C31 | C33 | H54 | 178.3° | 59.9° |
| H49 | C31 | C33 | H55 | 58.3° | 180.0° |
| H50 | C32 | H51 | H52 | 119.9° | 120.0° |
| H53 | C33 | H54 | H55 | 120.0° | 120.0° |
| C34 | N9 | H56 | C30 | 180.0° | 179.9° |
| N9 | C34 | C35 | C36 | 118.7° | 120.0° |
| N9 | C34 | C35 | C37 | 119.9° | 120.0° |
| N9 | C34 | C36 | C37 | 117.7° | 120.0° |
| N9 | C34 | C35 | O10 | 144.6° | 137.3° |
| N9 | C34 | C36 | H57 | 180.0° | 60.0° |
| N9 | C34 | C36 | H58 | 60.0° | 180.0° |
| N9 | C34 | C36 | H59 | 60.0° | 60.0° |
| N9 | C34 | C37 | H60 | 180.0° | 60.0° |
| N9 | C34 | C37 | H61 | 60.0° | 180.0° |
| N9 | C34 | C37 | H62 | 60.0° | 60.1° |
| N9 | C34 | C35 | N10 | 36.9° | 42.6° |
| H56 | N9 | C34 | C35 | 127.6° | 2.3° |
| H56 | N9 | C34 | C36 | 9.3° | 117.7° |
| H56 | N9 | C34 | C37 | 110.3° | 122.2° |
| C35 | C34 | C36 | C37 | 121.9° | 120.0° |
| C34 | C35 | O10 | N10 | 178.6° | 179.9° |
| C35 | C34 | C36 | H57 | 59.6° | 180.0° |
| C35 | C34 | C36 | H58 | 179.6° | 60.0° |
| C35 | C34 | C36 | H59 | 60.4° | 60.0° |
| C35 | C34 | C37 | H60 | 58.0° | 60.0° |
| C35 | C34 | C37 | H61 | 62.0° | 60.0° |
| C35 | C34 | C37 | H62 | 178.0° | 180.0° |
| C34 | C35 | N10 | C38 | 176.9° | 174.1° |
| C34 | C35 | N10 | C42 | 10.3° | 6.3° |
| C35 | C34 | N9 | C30 | 52.4° | 177.8° |
| C36 | C34 | C35 | O10 | 96.7° | 17.3° |
| C34 | C36 | H57 | H58 | 120.0° | 120.0° |
| C34 | C36 | H57 | H59 | 120.0° | 120.0° |
| C34 | C36 | H58 | H59 | 120.0° | 120.0° |
| C36 | C34 | C37 | H60 | 61.8° | 180.0° |
| C36 | C34 | C37 | H61 | 178.2° | 60.0° |
| C36 | C34 | C37 | H62 | 58.2° | 60.0° |
| C36 | C34 | N9 | C30 | 170.7° | 62.2° |
| C36 | C34 | C35 | N10 | 81.8° | 162.6° |
| C37 | C34 | C35 | O10 | 24.7° | 102.7° |
| C37 | C34 | C36 | H57 | 62.3° | 60.0° |
| C37 | C34 | C36 | H58 | 57.7° | 60.0° |
| C37 | C34 | C36 | H59 | 177.7° | 180.0° |
| C34 | C37 | H60 | H61 | 120.0° | 120.0° |
| C34 | C37 | H60 | H62 | 120.0° | 120.0° |
| C34 | C37 | H61 | H62 | 120.0° | 120.0° |
| C37 | C34 | N9 | C30 | 69.7° | 57.9° |
| C37 | C34 | C35 | N10 | 156.8° | 77.4° |
| O10 | C35 | N10 | C38 | 1.6° | 5.9° |
| O10 | C35 | N10 | C42 | 168.2° | 173.8° |
| H57 | C36 | H58 | H59 | 120.0° | 120.0° |
| H60 | C37 | H61 | H62 | 119.9° | 120.0° |
| C38 | N10 | C42 | C35 | 167.5° | 179.7° |
| N10 | C38 | C39 | C40 | 117.3° | 117.9° |
| N10 | C38 | C39 | H63 | 123.5° | 121.0° |
| N10 | C38 | C40 | H63 | 116.9° | 119.5° |
| N10 | C38 | C39 | O11 | 157.7° | 0.0° |
| N10 | C38 | C40 | C41 | 29.1° | 22.2° |
| N10 | C38 | C40 | H64 | 89.6° | 140.5° |
| N10 | C38 | C40 | H65 | 147.9° | 96.1° |
| C38 | N10 | C42 | C41 | 12.7° | 24.4° |
| C38 | N10 | C42 | H68 | 132.1° | 94.4° |
| C38 | N10 | C42 | H69 | 106.7° | 143.2° |
| N10 | C38 | C39 | N11 | 23.7° | 180.0° |
| C42 | N10 | C38 | C39 | 131.6° | 120.7° |
| C42 | N10 | C38 | C40 | 11.0° | 1.3° |
| C42 | N10 | C38 | H63 | 105.1° | 118.3° |
| N10 | C42 | C41 | C40 | 31.6° | 37.3° |
| N10 | C42 | C41 | H68 | 119.4° | 118.8° |
| N10 | C42 | C41 | H69 | 119.4° | 118.8° |
| N10 | C42 | C41 | H66 | 150.9° | 80.8° |
| N10 | C42 | C41 | H67 | 87.7° | 155.3° |
| N10 | C42 | H68 | H69 | 121.8° | 122.3° |
| C39 | C38 | C40 | H63 | 119.5° | 121.1° |
| C38 | C39 | O11 | N11 | 178.6° | 180.0° |
| C39 | C38 | C40 | C41 | 152.7° | 97.3° |
| C39 | C38 | C40 | H64 | 34.0° | 21.1° |
| C39 | C38 | C40 | H65 | 88.5° | 144.4° |
| C38 | C39 | N11 | C43 | 179.3° | 180.0° |
| C38 | C39 | N11 | H70 | 0.7° | 0.0° |
| C39 | C38 | N10 | C35 | 59.0° | 59.6° |
| C40 | C38 | C39 | O11 | 85.0° | 117.9° |
| C38 | C40 | C41 | H64 | 118.8° | 118.4° |
| C38 | C40 | C41 | H65 | 118.8° | 118.4° |
| C38 | C40 | H64 | H65 | 123.6° | 123.3° |
| C38 | C40 | C41 | C42 | 37.7° | 35.6° |
| C38 | C40 | C41 | H66 | 157.0° | 82.6° |
| C38 | C40 | C41 | H67 | 81.6° | 153.6° |
| C40 | C38 | N10 | C35 | 179.6° | 179.0° |
| C40 | C38 | C39 | N11 | 93.6° | 62.2° |
| H63 | C38 | C39 | O11 | 34.1° | 121.0° |
| H63 | C38 | C40 | C41 | 87.8° | 141.7° |
| H63 | C38 | C40 | H64 | 153.5° | 100.0° |
| H63 | C38 | C40 | H65 | 31.0° | 23.3° |
| H63 | C38 | N10 | C35 | 64.3° | 61.4° |
| H63 | C38 | C39 | N11 | 147.2° | 59.0° |
| O11 | C39 | N11 | C43 | 2.1° | 0.1° |
| O11 | C39 | N11 | H70 | 177.9° | 180.0° |
| C41 | C40 | H64 | H65 | 123.5° | 123.2° |
| C40 | C41 | C42 | H66 | 119.3° | 118.1° |
| C40 | C41 | C42 | H67 | 119.3° | 118.0° |
| C40 | C41 | H66 | H67 | 122.0° | 123.9° |
| C40 | C41 | C42 | H68 | 151.0° | 81.5° |
| C40 | C41 | C42 | H69 | 87.8° | 156.1° |
| H64 | C40 | C41 | C42 | 81.1° | 154.0° |
| H64 | C40 | C41 | H66 | 38.2° | 35.8° |
| H64 | C40 | C41 | H67 | 159.6° | 88.0° |
| H65 | C40 | C41 | C42 | 156.4° | 82.7° |
| H65 | C40 | C41 | H66 | 84.2° | 159.1° |
| H65 | C40 | C41 | H67 | 37.1° | 35.2° |
| C42 | C41 | H66 | H67 | 122.0° | 123.9° |
| C41 | C42 | H68 | H69 | 121.7° | 122.4° |
| C41 | C42 | N10 | C35 | 154.8° | 155.9° |
| H66 | C41 | C42 | H68 | 89.7° | 160.4° |
| H66 | C41 | C42 | H69 | 31.5° | 38.0° |
| H67 | C41 | C42 | H68 | 31.6° | 36.5° |
| H67 | C41 | C42 | H69 | 152.9° | 85.9° |
| H68 | C42 | N10 | C35 | 35.5° | 85.3° |
| H69 | C42 | N10 | C35 | 85.8° | 37.1° |
| C43 | N11 | H70 | C39 | 180.0° | 180.0° |
| N11 | C43 | C44 | C45 | 117.3° | 120.0° |
| N11 | C43 | C44 | C46 | 121.7° | 120.0° |
| N11 | C43 | C45 | C46 | 121.9° | 120.0° |
| N11 | C43 | C44 | O12 | 159.3° | 145.0° |
| N11 | C43 | C45 | H71 | 180.0° | 60.0° |
| N11 | C43 | C45 | H72 | 60.0° | 180.0° |
| N11 | C43 | C45 | H73 | 60.0° | 60.0° |
| N11 | C43 | C46 | H74 | 180.0° | 60.0° |
| N11 | C43 | C46 | H75 | 60.0° | 180.0° |
| N11 | C43 | C46 | H76 | 60.0° | 59.9° |
| N11 | C43 | C44 | N12 | 22.6° | 35.0° |
| H70 | N11 | C43 | C44 | 122.1° | 0.0° |
| H70 | N11 | C43 | C45 | 5.4° | 120.0° |
| H70 | N11 | C43 | C46 | 117.3° | 120.1° |
| C44 | C43 | C45 | C46 | 118.9° | 120.0° |
| C43 | C44 | O12 | N12 | 178.0° | 180.0° |
| C44 | C43 | C45 | H71 | 60.8° | 180.0° |
| C44 | C43 | C45 | H72 | 179.2° | 60.0° |
| C44 | C43 | C45 | H73 | 59.2° | 60.0° |
| C44 | C43 | C46 | H74 | 58.2° | 60.0° |
| C44 | C43 | C46 | H75 | 61.8° | 60.0° |
| C44 | C43 | C46 | H76 | 178.2° | 180.0° |
| C43 | C44 | N12 | C47 | 179.6° | 180.0° |
| C43 | C44 | N12 | H77 | 0.5° | 0.0° |
| C44 | C43 | N11 | C39 | 57.9° | 180.0° |
| C45 | C43 | C44 | O12 | 83.4° | 24.9° |
| C43 | C45 | H71 | H72 | 120.0° | 120.0° |
| C43 | C45 | H71 | H73 | 120.0° | 119.9° |
| C43 | C45 | H72 | H73 | 120.0° | 119.9° |
| C45 | C43 | C46 | H74 | 59.7° | 180.0° |
| C45 | C43 | C46 | H75 | 179.7° | 60.0° |
| C45 | C43 | C46 | H76 | 60.3° | 60.1° |
| C45 | C43 | N11 | C39 | 174.6° | 60.0° |
| C45 | C43 | C44 | N12 | 94.7° | 155.0° |
| C46 | C43 | C44 | O12 | 37.6° | 95.0° |
| C46 | C43 | C45 | H71 | 58.2° | 60.0° |
| C46 | C43 | C45 | H72 | 61.9° | 60.0° |
| C46 | C43 | C45 | H73 | 178.1° | 180.0° |
| C43 | C46 | H74 | H75 | 120.0° | 120.0° |
| C43 | C46 | H74 | H76 | 120.0° | 120.0° |
| C43 | C46 | H75 | H76 | 120.0° | 120.1° |
| C46 | C43 | N11 | C39 | 62.7° | 60.0° |
| C46 | C43 | C44 | N12 | 144.3° | 85.0° |
| O12 | C44 | N12 | C47 | 2.4° | 0.0° |
| O12 | C44 | N12 | H77 | 177.6° | 179.9° |
| H71 | C45 | H72 | H73 | 120.0° | 120.1° |
| H74 | C46 | H75 | H76 | 120.0° | 120.0° |
| C47 | N12 | H77 | C44 | 180.0° | 179.9° |
| N12 | C47 | C48 | C49 | 123.3° | 120.0° |
| N12 | C47 | C48 | H78 | 120.5° | 120.0° |
| N12 | C47 | C49 | H78 | 118.4° | 119.9° |
| N12 | C47 | C48 | O13 | 172.9° | 0.0° |
| N12 | C47 | C49 | C50 | 58.0° | 65.0° |
| N12 | C47 | C49 | H79 | 62.9° | 55.1° |
| N12 | C47 | C49 | H80 | 178.8° | 175.0° |
| N12 | C47 | C48 | N13 | 4.3° | 180.0° |
| H77 | N12 | C47 | C48 | 96.2° | 24.9° |
| H77 | N12 | C47 | C49 | 26.3° | 95.1° |
| H77 | N12 | C47 | H78 | 143.9° | 145.0° |
| C48 | C47 | C49 | H78 | 116.3° | 120.0° |
| C47 | C48 | O13 | N13 | 177.1° | 179.9° |
| C48 | C47 | C49 | C50 | 176.7° | 175.0° |
| C48 | C47 | C49 | H79 | 62.5° | 65.0° |
| C48 | C47 | C49 | H80 | 55.8° | 54.9° |
| C47 | C48 | N13 | C53 | 179.6° | 180.0° |
| C47 | C48 | N13 | H88 | 0.5° | 0.1° |
| C48 | C47 | N12 | C44 | 83.8° | 155.0° |
| C49 | C47 | C48 | O13 | 63.8° | 120.0° |
| C47 | C49 | C50 | H79 | 120.9° | 120.0° |
| C47 | C49 | C50 | H80 | 120.9° | 120.0° |
| C47 | C49 | H79 | H80 | 117.3° | 119.9° |
| C47 | C49 | C50 | C51 | 179.7° | 175.0° |
| C47 | C49 | C50 | C52 | 54.5° | 65.0° |
| C47 | C49 | C50 | H81 | 62.7° | 55.0° |
| C49 | C47 | N12 | C44 | 153.7° | 85.0° |
| C49 | C47 | C48 | N13 | 119.0° | 60.0° |
| H78 | C47 | C48 | O13 | 52.4° | 120.0° |
| H78 | C47 | C49 | C50 | 60.4° | 54.9° |
| H78 | C47 | C49 | H79 | 178.8° | 175.0° |
| H78 | C47 | C49 | H80 | 60.5° | 65.1° |
| H78 | C47 | N12 | C44 | 36.0° | 34.9° |
| H78 | C47 | C48 | N13 | 124.8° | 60.0° |
| O13 | C48 | N13 | C53 | 2.5° | 0.1° |
| O13 | C48 | N13 | H88 | 177.5° | 180.0° |
| C50 | C49 | H79 | H80 | 117.3° | 120.0° |
| C49 | C50 | C51 | C52 | 125.7° | 120.1° |
| C49 | C50 | C51 | H81 | 117.4° | 119.9° |
| C49 | C50 | C52 | H81 | 117.1° | 120.0° |
| C49 | C50 | C51 | H82 | 180.0° | 60.1° |
| C49 | C50 | C51 | H83 | 60.0° | 180.0° |
| C49 | C50 | C51 | H84 | 60.0° | 59.9° |
| C49 | C50 | C52 | H85 | 180.0° | 59.9° |
| C49 | C50 | C52 | H86 | 60.0° | 180.0° |
| C49 | C50 | C52 | H87 | 60.0° | 60.0° |
| H79 | C49 | C50 | C51 | 59.4° | 54.9° |
| H79 | C49 | C50 | C52 | 175.4° | 175.0° |
| H79 | C49 | C50 | H81 | 58.2° | 65.0° |
| H80 | C49 | C50 | C51 | 58.9° | 65.1° |
| H80 | C49 | C50 | C52 | 66.3° | 55.0° |
| H80 | C49 | C50 | H81 | 176.5° | 175.0° |
| C51 | C50 | C52 | H81 | 117.0° | 120.0° |
| C50 | C51 | H82 | H83 | 120.0° | 119.9° |
| C50 | C51 | H82 | H84 | 120.0° | 120.1° |
| C50 | C51 | H83 | H84 | 120.0° | 120.1° |
| C51 | C50 | C52 | H85 | 54.2° | 180.0° |
| C51 | C50 | C52 | H86 | 65.9° | 60.0° |
| C51 | C50 | C52 | H87 | 174.2° | 60.1° |
| C52 | C50 | C51 | H82 | 54.3° | 60.0° |
| C52 | C50 | C51 | H83 | 174.4° | 59.9° |
| C52 | C50 | C51 | H84 | 65.6° | 180.0° |
| C50 | C52 | H85 | H86 | 120.0° | 120.1° |
| C50 | C52 | H85 | H87 | 120.0° | 119.9° |
| C50 | C52 | H86 | H87 | 120.0° | 120.0° |
| H81 | C50 | C51 | H82 | 62.6° | 180.0° |
| H81 | C50 | C51 | H83 | 57.4° | 60.1° |
| H81 | C50 | C51 | H84 | 177.4° | 60.0° |
| H81 | C50 | C52 | H85 | 62.9° | 60.0° |
| H81 | C50 | C52 | H86 | 177.1° | 60.0° |
| H81 | C50 | C52 | H87 | 57.2° | 180.0° |
| H82 | C51 | H83 | H84 | 120.0° | 120.0° |
| H85 | C52 | H86 | H87 | 120.0° | 119.9° |
| C53 | N13 | H88 | C48 | 180.0° | 179.9° |
| N13 | C53 | C54 | C55 | 122.8° | 120.0° |
| N13 | C53 | C54 | C56 | 111.0° | 120.0° |
| N13 | C53 | C55 | C56 | 116.0° | 120.0° |
| N13 | C53 | C54 | O14 | 137.7° | 130.8° |
| N13 | C53 | C55 | H89 | 180.0° | 60.0° |
| N13 | C53 | C55 | H90 | 60.0° | 180.0° |
| N13 | C53 | C55 | H91 | 60.0° | 60.0° |
| N13 | C53 | C56 | H92 | 180.0° | 60.0° |
| N13 | C53 | C56 | H93 | 60.0° | 180.0° |
| N13 | C53 | C56 | H94 | 60.0° | 60.0° |
| N13 | C53 | C54 | N14 | 42.6° | 49.1° |
| H88 | N13 | C53 | C54 | 133.2° | 4.6° |
| H88 | N13 | C53 | C55 | 11.6° | 115.4° |
| H88 | N13 | C53 | C56 | 112.8° | 124.6° |
| C54 | C53 | C55 | C56 | 120.8° | 120.0° |
| C53 | C54 | O14 | N14 | 179.7° | 180.0° |
| C54 | C53 | C55 | H89 | 56.8° | 180.0° |
| C54 | C53 | C55 | H90 | 176.8° | 60.0° |
| C54 | C53 | C55 | H91 | 63.2° | 60.0° |
| C54 | C53 | C56 | H92 | 62.5° | 60.0° |
| C54 | C53 | C56 | H93 | 57.5° | 60.0° |
| C54 | C53 | C56 | H94 | 177.4° | 180.0° |
| C53 | C54 | N14 | C57 | 178.9° | 176.5° |
| C53 | C54 | N14 | C61 | 7.4° | 3.1° |
| C54 | C53 | N13 | C48 | 46.9° | 175.3° |
| C55 | C53 | C54 | O14 | 99.6° | 10.9° |
| C53 | C55 | H89 | H90 | 120.0° | 120.0° |
| C53 | C55 | H89 | H91 | 120.0° | 120.0° |
| C53 | C55 | H90 | H91 | 120.0° | 120.0° |
| C55 | C53 | C56 | H92 | 59.2° | 179.9° |
| C55 | C53 | C56 | H93 | 179.1° | 60.0° |
| C55 | C53 | C56 | H94 | 60.9° | 60.0° |
| C55 | C53 | N13 | C48 | 168.4° | 64.7° |
| C55 | C53 | C54 | N14 | 80.1° | 169.1° |
| C56 | C53 | C54 | O14 | 26.7° | 109.2° |
| C56 | C53 | C55 | H89 | 64.0° | 60.0° |
| C56 | C53 | C55 | H90 | 56.0° | 60.0° |
| C56 | C53 | C55 | H91 | 176.0° | 180.0° |
| C53 | C56 | H92 | H93 | 120.0° | 120.0° |
| C53 | C56 | H92 | H94 | 120.0° | 119.9° |
| C53 | C56 | H93 | H94 | 120.0° | 120.0° |
| C56 | C53 | N13 | C48 | 67.2° | 55.3° |
| C56 | C53 | C54 | N14 | 153.6° | 70.8° |
| O14 | C54 | N14 | C57 | 0.7° | 3.5° |
| O14 | C54 | N14 | C61 | 172.3° | 176.9° |
| H89 | C55 | H90 | H91 | 120.0° | 120.0° |
| H92 | C56 | H93 | H94 | 120.0° | 120.0° |
| C57 | N14 | C61 | C54 | 172.0° | 179.7° |
| N14 | C57 | C58 | C59 | 113.8° | 117.8° |
| N14 | C57 | C58 | H95 | 125.6° | 121.0° |
| N14 | C57 | C59 | H95 | 118.1° | 119.5° |
| N14 | C57 | C58 | O15 | 172.0° | 0.0° |
| N14 | C57 | C59 | C60 | 11.8° | 22.2° |
| N14 | C57 | C59 | H96 | 107.8° | 140.5° |
| N14 | C57 | C59 | H97 | 131.5° | 96.2° |
| C57 | N14 | C61 | C60 | 17.3° | 24.5° |
| C57 | N14 | C61 | H100 | 136.7° | 94.5° |
| C57 | N14 | C61 | H101 | 102.1° | 143.2° |
| N14 | C57 | C58 | N15 | 8.0° | 180.0° |
| C61 | N14 | C57 | C58 | 114.5° | 120.8° |
| C61 | N14 | C57 | C59 | 3.1° | 1.3° |
| C61 | N14 | C57 | H95 | 120.2° | 118.3° |
| N14 | C61 | C60 | C59 | 24.4° | 37.3° |
| N14 | C61 | C60 | H100 | 119.4° | 118.9° |
| N14 | C61 | C60 | H101 | 119.4° | 118.7° |
| N14 | C61 | C60 | H98 | 144.1° | 80.8° |
| N14 | C61 | C60 | H99 | 95.3° | 155.3° |
| N14 | C61 | H100 | H101 | 121.7° | 122.2° |
| C58 | C57 | C59 | H95 | 120.9° | 121.1° |
| C57 | C58 | O15 | N15 | 180.0° | 180.0° |
| C58 | C57 | C59 | C60 | 132.9° | 97.2° |
| C58 | C57 | C59 | H96 | 13.3° | 21.1° |
| C58 | C57 | C59 | H97 | 107.5° | 144.4° |
| C57 | C58 | N15 | C62 | 174.4° | 180.0° |
| C57 | C58 | N15 | H102 | 5.6° | 0.0° |
| C58 | C57 | N14 | C54 | 72.5° | 59.6° |
| C59 | C57 | C58 | O15 | 74.2° | 117.8° |
| C57 | C59 | C60 | H96 | 119.6° | 118.4° |
| C57 | C59 | C60 | H97 | 119.6° | 118.4° |
| C57 | C59 | H96 | H97 | 121.1° | 123.2° |
| C57 | C59 | C60 | C61 | 23.0° | 35.7° |
| C57 | C59 | C60 | H98 | 142.6° | 82.5° |
| C57 | C59 | C60 | H99 | 96.7° | 153.6° |
| C59 | C57 | N14 | C54 | 169.9° | 179.0° |
| C59 | C57 | C58 | N15 | 105.8° | 62.2° |
| H95 | C57 | C58 | O15 | 46.4° | 121.0° |
| H95 | C57 | C59 | C60 | 106.2° | 141.7° |
| H95 | C57 | C59 | H96 | 134.2° | 99.9° |
| H95 | C57 | C59 | H97 | 13.4° | 23.3° |
| H95 | C57 | N14 | C54 | 52.7° | 61.4° |
| H95 | C57 | C58 | N15 | 133.7° | 59.0° |
| O15 | C58 | N15 | C62 | 5.5° | 0.0° |
| O15 | C58 | N15 | H102 | 174.4° | 180.0° |
| C60 | C59 | H96 | H97 | 121.1° | 123.2° |
| C59 | C60 | C61 | H98 | 119.7° | 118.1° |
| C59 | C60 | C61 | H99 | 119.7° | 118.0° |
| C59 | C60 | H98 | H99 | 121.1° | 124.0° |
| C59 | C60 | C61 | H100 | 143.8° | 81.5° |
| C59 | C60 | C61 | H101 | 95.0° | 156.0° |
| H96 | C59 | C60 | C61 | 96.7° | 154.0° |
| H96 | C59 | C60 | H98 | 23.0° | 35.8° |
| H96 | C59 | C60 | H99 | 143.7° | 88.1° |
| H97 | C59 | C60 | C61 | 142.6° | 82.7° |
| H97 | C59 | C60 | H98 | 97.8° | 159.1° |
| H97 | C59 | C60 | H99 | 22.9° | 35.2° |
| C61 | C60 | H98 | H99 | 121.0° | 123.9° |
| C60 | C61 | H100 | H101 | 121.7° | 122.4° |
| C60 | C61 | N14 | C54 | 154.7° | 155.8° |
| H98 | C60 | C61 | H100 | 96.5° | 160.3° |
| H98 | C60 | C61 | H101 | 24.7° | 37.9° |
| H99 | C60 | C61 | H100 | 24.1° | 36.4° |
| H99 | C60 | C61 | H101 | 145.3° | 86.0° |
| H100 | C61 | N14 | C54 | 35.3° | 85.2° |
| H101 | C61 | N14 | C54 | 85.9° | 37.1° |
| C62 | N15 | H102 | C58 | 180.0° | 180.0° |
| N15 | C62 | C63 | C64 | 122.0° | 120.0° |
| N15 | C62 | C63 | H103 | 119.0° | 120.0° |
| N15 | C62 | C64 | H103 | 119.8° | 120.0° |
| N15 | C62 | C63 | O16 | 71.6° | 65.0° |
| N15 | C62 | C63 | H104 | 167.0° | 55.0° |
| N15 | C62 | C63 | H105 | 49.9° | 175.0° |
| N15 | C62 | C64 | C65 | 68.6° | 63.7° |
| N15 | C62 | C64 | H106 | 52.6° | 56.3° |
| N15 | C62 | C64 | H107 | 170.1° | 176.4° |
| H102 | N15 | C62 | C63 | 67.8° | 95.0° |
| H102 | N15 | C62 | C64 | 54.2° | 25.0° |
| H102 | N15 | C62 | H103 | 173.3° | 145.0° |
| C63 | C62 | C64 | H103 | 119.6° | 120.1° |
| C62 | C63 | O16 | H104 | 121.4° | 120.1° |
| C62 | C63 | O16 | H105 | 121.5° | 120.0° |
| C62 | C63 | H104 | H105 | 115.4° | 120.0° |
| C63 | C62 | C64 | C65 | 170.8° | 176.3° |
| C63 | C62 | C64 | H106 | 67.9° | 63.7° |
| C63 | C62 | C64 | H107 | 49.6° | 56.4° |
| C62 | C63 | O16 | H115 | 180.0° | 180.0° |
| C63 | C62 | N15 | C58 | 112.2° | 85.0° |
| C64 | C62 | C63 | O16 | 166.4° | 54.9° |
| C64 | C62 | C63 | H104 | 45.0° | 175.0° |
| C64 | C62 | C63 | H105 | 72.1° | 65.0° |
| C62 | C64 | C65 | H106 | 121.3° | 120.0° |
| C62 | C64 | C65 | H107 | 121.3° | 120.0° |
| C62 | C64 | H106 | H107 | 115.9° | 120.0° |
| C62 | C64 | C65 | C66 | 66.9° | 175.3° |
| C62 | C64 | C65 | C67 | 177.8° | 64.7° |
| C62 | C64 | C65 | H108 | 55.0° | 55.3° |
| C64 | C62 | N15 | C58 | 125.8° | 155.0° |
| H103 | C62 | C63 | O16 | 47.4° | 175.0° |
| H103 | C62 | C63 | H104 | 74.0° | 65.0° |
| H103 | C62 | C63 | H105 | 168.9° | 55.0° |
| H103 | C62 | C64 | C65 | 51.2° | 56.3° |
| H103 | C62 | C64 | H106 | 172.5° | 176.3° |
| H103 | C62 | C64 | H107 | 70.0° | 63.7° |
| H103 | C62 | N15 | C58 | 6.7° | 35.0° |
| O16 | C63 | H104 | H105 | 115.3° | 120.0° |
| H104 | C63 | O16 | H115 | 58.6° | 60.0° |
| H105 | C63 | O16 | H115 | 58.5° | 60.0° |
| C65 | C64 | H106 | H107 | 115.9° | 119.9° |
| C64 | C65 | C66 | C67 | 120.6° | 120.0° |
| C64 | C65 | C66 | H108 | 121.6° | 120.0° |
| C64 | C65 | C67 | H108 | 122.8° | 120.0° |
| C64 | C65 | C66 | H109 | 180.0° | 175.1° |
| C64 | C65 | C66 | H110 | 60.0° | 55.1° |
| C64 | C65 | C66 | H111 | 60.0° | 64.9° |
| C64 | C65 | C67 | H112 | 180.0° | 60.0° |
| C64 | C65 | C67 | H113 | 60.0° | 180.0° |
| C64 | C65 | C67 | H114 | 60.0° | 60.0° |
| H106 | C64 | C65 | C66 | 54.4° | 55.3° |
| H106 | C64 | C65 | C67 | 61.0° | 175.2° |
| H106 | C64 | C65 | H108 | 176.3° | 64.8° |
| H107 | C64 | C65 | C66 | 171.9° | 64.7° |
| H107 | C64 | C65 | C67 | 56.5° | 55.2° |
| H107 | C64 | C65 | H108 | 66.2° | 175.2° |
| C66 | C65 | C67 | H108 | 118.3° | 120.0° |
| C65 | C66 | H109 | H110 | 120.0° | 120.0° |
| C65 | C66 | H109 | H111 | 120.0° | 120.0° |
| C65 | C66 | H110 | H111 | 120.0° | 120.0° |
| C66 | C65 | C67 | H112 | 61.1° | 180.0° |
| C66 | C65 | C67 | H113 | 58.9° | 60.0° |
| C66 | C65 | C67 | H114 | 178.8° | 60.0° |
| C67 | C65 | C66 | H109 | 59.4° | 64.9° |
| C67 | C65 | C66 | H110 | 179.4° | 175.1° |
| C67 | C65 | C66 | H111 | 60.6° | 55.1° |
| C65 | C67 | H112 | H113 | 120.0° | 120.0° |
| C65 | C67 | H112 | H114 | 120.0° | 120.1° |
| C65 | C67 | H113 | H114 | 120.0° | 120.1° |
| H108 | C65 | C66 | H109 | 58.4° | 55.0° |
| H108 | C65 | C66 | H110 | 61.6° | 65.0° |
| H108 | C65 | C66 | H111 | 178.4° | 175.0° |
| H108 | C65 | C67 | H112 | 57.2° | 60.0° |
| H108 | C65 | C67 | H113 | 177.2° | 59.9° |
| H108 | C65 | C67 | H114 | 62.8° | 180.0° |
| H109 | C66 | H110 | H111 | 119.9° | 120.0° |
| H112 | C67 | H113 | H114 | 120.0° | 119.9° |
