PRD_000160
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.26Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.46Å | 1.46Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | C6 | sing | 1.53Å | 1.51Å | |
| 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 | 1.46Å | 1.44Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | O3 | doub | 1.21Å | 1.25Å | |
| N3 | C9 | sing | 1.47Å | 1.48Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | C11 | sing | 1.53Å | 1.52Å | |
| C9 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | O4 | doub | 1.21Å | 1.24Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| N4 | C13 | sing | 1.47Å | 1.46Å | |
| N4 | H21 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | O5 | doub | 1.21Å | 1.25Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.51Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| N5 | C19 | sing | 1.46Å | 1.47Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | O6 | doub | 1.21Å | 1.24Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| N6 | C23 | sing | 1.46Å | 1.47Å | |
| N6 | H39 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C23 | C25 | sing | 1.53Å | 1.50Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | O7 | doub | 1.21Å | 1.24Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.51Å | 1.50Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C26 | H44 | sing | 1.09Å | 1.10Å | |
| C27 | O8 | doub | 1.21Å | 1.21Å | |
| C27 | N7 | sing | 1.35Å | 1.32Å | |
| N7 | H45 | sing | 0.97Å | 1.00Å | |
| N7 | H46 | sing | 0.97Å | 1.00Å | |
| N8 | C28 | sing | 1.47Å | 1.48Å | |
| N8 | H47 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.51Å | 1.54Å | |
| C28 | C30 | sing | 1.53Å | 1.54Å | |
| C28 | C31 | sing | 1.53Å | 1.51Å | |
| C29 | O9 | doub | 1.21Å | 1.23Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| C31 | H52 | sing | 1.09Å | 1.10Å | |
| C31 | H53 | sing | 1.09Å | 1.10Å | |
| N9 | C32 | sing | 1.46Å | 1.48Å | |
| N9 | H54 | sing | 0.97Å | 1.00Å | |
| C32 | C33 | sing | 1.51Å | 1.54Å | |
| C32 | C34 | sing | 1.53Å | 1.53Å | |
| C32 | C35 | sing | 1.53Å | 1.52Å | |
| C33 | O10 | doub | 1.21Å | 1.23Å | |
| C34 | H55 | sing | 1.09Å | 1.10Å | |
| C34 | H56 | sing | 1.09Å | 1.10Å | |
| C34 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H58 | sing | 1.09Å | 1.10Å | |
| C35 | H59 | sing | 1.09Å | 1.10Å | |
| C35 | H60 | sing | 1.09Å | 1.10Å | |
| N10 | C36 | sing | 1.47Å | 1.46Å | |
| N10 | H61 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.51Å | 1.54Å | |
| C36 | C38 | sing | 1.53Å | 1.51Å | |
| C36 | C39 | sing | 1.53Å | 1.53Å | |
| C37 | O11 | doub | 1.21Å | 1.24Å | |
| C38 | H62 | sing | 1.09Å | 1.10Å | |
| C38 | H63 | sing | 1.09Å | 1.10Å | |
| C38 | H64 | sing | 1.09Å | 1.10Å | |
| C39 | H65 | sing | 1.09Å | 1.10Å | |
| C39 | H66 | sing | 1.09Å | 1.10Å | |
| C39 | H67 | sing | 1.09Å | 1.10Å | |
| N11 | C40 | sing | 1.47Å | 1.45Å | |
| N11 | H68 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | sing | 1.51Å | 1.52Å | |
| C40 | C42 | sing | 1.53Å | 1.51Å | |
| C40 | H69 | sing | 1.09Å | 1.10Å | |
| C41 | O12 | doub | 1.21Å | 1.24Å | |
| C42 | H70 | sing | 1.09Å | 1.10Å | |
| C42 | H71 | sing | 1.09Å | 1.10Å | |
| C42 | H72 | sing | 1.09Å | 1.10Å | |
| N12 | C43 | sing | 1.46Å | 1.45Å | |
| N12 | H73 | sing | 0.97Å | 1.00Å | |
| C43 | C44 | sing | 1.51Å | 1.52Å | |
| C43 | C45 | sing | 1.53Å | 1.53Å | |
| C43 | H74 | sing | 1.09Å | 1.10Å | |
| C44 | O13 | doub | 1.21Å | 1.24Å | |
| C45 | H75 | sing | 1.09Å | 1.10Å | |
| C45 | H76 | sing | 1.09Å | 1.10Å | |
| C45 | H77 | sing | 1.09Å | 1.10Å | |
| N13 | C46 | sing | 1.46Å | 1.46Å | |
| N13 | H78 | sing | 0.97Å | 1.00Å | |
| C46 | C47 | sing | 1.51Å | 1.54Å | |
| C46 | C48 | sing | 1.53Å | 1.54Å | |
| C46 | C49 | sing | 1.53Å | 1.54Å | |
| C47 | O14 | doub | 1.21Å | 1.23Å | |
| C48 | H79 | sing | 1.09Å | 1.10Å | |
| C48 | H80 | sing | 1.09Å | 1.10Å | |
| 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 | |
| N14 | C50 | sing | 1.47Å | 1.46Å | |
| N14 | C54 | sing | 1.47Å | 1.48Å | |
| C50 | C51 | sing | 1.51Å | 1.52Å | |
| C50 | C52 | sing | 1.54Å | 1.52Å | |
| C50 | H85 | sing | 1.09Å | 1.10Å | |
| C51 | O15 | doub | 1.21Å | 1.22Å | |
| C52 | C53 | sing | 1.55Å | 1.52Å | |
| C52 | H86 | sing | 1.09Å | 1.10Å | |
| C52 | H87 | sing | 1.09Å | 1.10Å | |
| C53 | C54 | sing | 1.55Å | 1.52Å | |
| C53 | H88 | sing | 1.09Å | 1.10Å | |
| C53 | H89 | sing | 1.09Å | 1.10Å | |
| C54 | H90 | sing | 1.09Å | 1.10Å | |
| C54 | H91 | sing | 1.09Å | 1.10Å | |
| N15 | C55 | sing | 1.46Å | 1.47Å | |
| N15 | H92 | sing | 0.97Å | 1.00Å | |
| C55 | C56 | sing | 1.51Å | 1.53Å | |
| C55 | C57 | sing | 1.53Å | 1.52Å | |
| C55 | H93 | sing | 1.09Å | 1.10Å | |
| C56 | O16 | doub | 1.21Å | 1.23Å | |
| C57 | C58 | sing | 1.53Å | 1.52Å | |
| C57 | H94 | sing | 1.09Å | 1.10Å | |
| C57 | H95 | sing | 1.09Å | 1.10Å | |
| C58 | C59 | sing | 1.53Å | 1.51Å | |
| C58 | C60 | sing | 1.53Å | 1.52Å | |
| C58 | H96 | sing | 1.09Å | 1.10Å | |
| C59 | H97 | sing | 1.09Å | 1.10Å | |
| C59 | H98 | sing | 1.09Å | 1.10Å | |
| C59 | H99 | sing | 1.09Å | 1.10Å | |
| C60 | H100 | sing | 1.09Å | 1.10Å | |
| C60 | H101 | sing | 1.09Å | 1.10Å | |
| C60 | H102 | sing | 1.09Å | 1.10Å | |
| N16 | C61 | sing | 1.47Å | 1.47Å | |
| N16 | H103 | sing | 0.97Å | 1.00Å | |
| C61 | C62 | sing | 1.51Å | 1.52Å | |
| C61 | C63 | sing | 1.53Å | 1.55Å | |
| C61 | C64 | sing | 1.53Å | 1.53Å | |
| C62 | O17 | doub | 1.21Å | 1.24Å | |
| C63 | H104 | sing | 1.09Å | 1.10Å | |
| C63 | H105 | sing | 1.09Å | 1.10Å | |
| C63 | H106 | sing | 1.09Å | 1.10Å | |
| C64 | H107 | sing | 1.09Å | 1.10Å | |
| C64 | H108 | sing | 1.09Å | 1.10Å | |
| C64 | H109 | sing | 1.09Å | 1.10Å | |
| N17 | C65 | sing | 1.46Å | 1.47Å | |
| N17 | H110 | sing | 0.97Å | 1.00Å | |
| C65 | C66 | sing | 1.51Å | 1.54Å | |
| C65 | C67 | sing | 1.53Å | 1.52Å | |
| C65 | C68 | sing | 1.53Å | 1.53Å | |
| C66 | O18 | doub | 1.21Å | 1.22Å | |
| C67 | H111 | sing | 1.09Å | 1.10Å | |
| C67 | H112 | sing | 1.09Å | 1.10Å | |
| C67 | H113 | sing | 1.09Å | 1.10Å | |
| C68 | H114 | sing | 1.09Å | 1.10Å | |
| C68 | H115 | sing | 1.09Å | 1.10Å | |
| C68 | H116 | sing | 1.09Å | 1.10Å | |
| N18 | C69 | sing | 1.46Å | 1.46Å | |
| N18 | H117 | sing | 0.97Å | 1.00Å | |
| C69 | C70 | sing | 1.51Å | 1.53Å | |
| C69 | C71 | sing | 1.53Å | 1.53Å | |
| C69 | H118 | sing | 1.09Å | 1.10Å | |
| C70 | O19 | doub | 1.21Å | 1.25Å | |
| C71 | C72 | sing | 1.53Å | 1.51Å | |
| C71 | H119 | sing | 1.09Å | 1.10Å | |
| C71 | H120 | sing | 1.09Å | 1.10Å | |
| C72 | C73 | sing | 1.51Å | 1.49Å | |
| C72 | H121 | sing | 1.09Å | 1.10Å | |
| C72 | H122 | sing | 1.09Å | 1.10Å | |
| C73 | O20 | doub | 1.21Å | 1.31Å | |
| C73 | N19 | sing | 1.35Å | 1.26Å | |
| N19 | H123 | sing | 0.97Å | 1.00Å | |
| N19 | H124 | sing | 0.97Å | 1.00Å | |
| N20 | C74 | sing | 1.47Å | 1.43Å | |
| N20 | H125 | sing | 0.97Å | 1.00Å | |
| C74 | C75 | sing | 1.53Å | 1.45Å | |
| C74 | C78 | sing | 1.53Å | 1.47Å | |
| C74 | H126 | sing | 1.09Å | 1.10Å | |
| C75 | C76 | sing | 1.53Å | 1.52Å | |
| C75 | C77 | sing | 1.53Å | 1.52Å | |
| C75 | H127 | sing | 1.09Å | 1.10Å | |
| C76 | H128 | sing | 1.09Å | 1.10Å | |
| C76 | H129 | sing | 1.09Å | 1.10Å | |
| C76 | H130 | sing | 1.09Å | 1.10Å | |
| C77 | H131 | sing | 1.09Å | 1.10Å | |
| C77 | H132 | sing | 1.09Å | 1.10Å | |
| C77 | H133 | sing | 1.09Å | 1.10Å | |
| C78 | O21 | sing | 1.43Å | 1.36Å | |
| C78 | H134 | sing | 1.09Å | 1.10Å | |
| C78 | H135 | sing | 1.09Å | 1.10Å | |
| O21 | H136 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C4 | N2 | sing | 1.35Å | 1.32Å | |
| C8 | N3 | sing | 1.35Å | 1.32Å | |
| C10 | N4 | sing | 1.35Å | 1.35Å | |
| C14 | N5 | sing | 1.35Å | 1.34Å | |
| C20 | N6 | sing | 1.35Å | 1.32Å | |
| C24 | N8 | sing | 1.35Å | 1.33Å | |
| C29 | N9 | sing | 1.35Å | 1.34Å | |
| C33 | N10 | sing | 1.35Å | 1.33Å | |
| C37 | N11 | sing | 1.35Å | 1.33Å | |
| C44 | N13 | sing | 1.35Å | 1.33Å | |
| C47 | N14 | sing | 1.35Å | 1.35Å | |
| C56 | N16 | sing | 1.35Å | 1.34Å | |
| C62 | N17 | sing | 1.35Å | 1.33Å | |
| C66 | N18 | sing | 1.35Å | 1.33Å | |
| C70 | N20 | sing | 1.35Å | 1.31Å | |
| C41 | N12 | sing | 1.35Å | 1.33Å | |
| C51 | N15 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.1° | 120.0° |
| O1 | C1 | N1 | 121.8° | 119.9° |
| C1 | C2 | H1 | 109.5° | 109.4° |
| C1 | C2 | H2 | 109.5° | 109.4° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C2 | C1 | N1 | 118.0° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.6° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 119.0° | 120.0° |
| N1 | C3 | C4 | 109.1° | 109.5° |
| N1 | C3 | C5 | 107.6° | 109.5° |
| N1 | C3 | C6 | 112.0° | 109.5° |
| C3 | N1 | C1 | 122.1° | 120.1° |
| H4 | N1 | C1 | 118.9° | 119.9° |
| C4 | C3 | C5 | 107.7° | 109.5° |
| C4 | C3 | C6 | 111.5° | 109.4° |
| C3 | C4 | O2 | 121.7° | 120.0° |
| C3 | C4 | N2 | 118.0° | 120.0° |
| C5 | C3 | C6 | 108.8° | 109.5° |
| C3 | C5 | H5 | 109.5° | 109.5° |
| C3 | C5 | H6 | 109.5° | 109.5° |
| C3 | C5 | H7 | 109.5° | 109.4° |
| C3 | C6 | H8 | 109.5° | 109.5° |
| C3 | C6 | H9 | 109.5° | 109.5° |
| C3 | C6 | H10 | 109.5° | 109.4° |
| O2 | C4 | N2 | 120.3° | 120.0° |
| H5 | C5 | H6 | 109.5° | 109.4° |
| H5 | C5 | H7 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.4° | 109.5° |
| H8 | C6 | H9 | 109.4° | 109.5° |
| H8 | C6 | H10 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| C7 | N2 | H11 | 119.2° | 120.0° |
| N2 | C7 | C8 | 112.0° | 109.5° |
| N2 | C7 | H12 | 108.8° | 109.5° |
| N2 | C7 | H13 | 108.8° | 109.5° |
| C7 | N2 | C4 | 121.6° | 120.0° |
| H11 | N2 | C4 | 119.2° | 120.0° |
| C8 | C7 | H12 | 108.8° | 109.5° |
| C8 | C7 | H13 | 108.9° | 109.5° |
| C7 | C8 | O3 | 119.6° | 120.0° |
| C7 | C8 | N3 | 117.7° | 120.0° |
| H12 | C7 | H13 | 109.5° | 109.4° |
| O3 | C8 | N3 | 122.6° | 120.0° |
| C9 | N3 | H14 | 118.6° | 119.9° |
| N3 | C9 | C10 | 108.6° | 109.5° |
| N3 | C9 | C11 | 108.7° | 109.5° |
| N3 | C9 | C12 | 109.7° | 109.4° |
| C9 | N3 | C8 | 122.8° | 120.0° |
| H14 | N3 | C8 | 118.6° | 120.0° |
| C10 | C9 | C11 | 109.1° | 109.5° |
| C10 | C9 | C12 | 111.5° | 109.5° |
| C9 | C10 | O4 | 122.8° | 120.0° |
| C9 | C10 | N4 | 116.3° | 120.0° |
| C11 | C9 | C12 | 109.3° | 109.5° |
| C9 | C11 | H15 | 109.5° | 109.5° |
| C9 | C11 | H16 | 109.5° | 109.4° |
| C9 | C11 | H17 | 109.5° | 109.4° |
| C9 | C12 | H18 | 109.5° | 109.5° |
| C9 | C12 | H19 | 109.5° | 109.4° |
| C9 | C12 | H20 | 109.5° | 109.5° |
| O4 | C10 | N4 | 120.9° | 120.0° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H15 | C11 | H17 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H18 | C12 | H20 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.4° | 109.5° |
| C13 | N4 | H21 | 119.4° | 120.0° |
| N4 | C13 | C14 | 110.4° | 109.5° |
| N4 | C13 | C15 | 108.6° | 109.4° |
| N4 | C13 | H22 | 108.6° | 109.5° |
| C13 | N4 | C10 | 121.3° | 120.0° |
| H21 | N4 | C10 | 119.3° | 120.1° |
| C14 | C13 | C15 | 113.4° | 109.5° |
| C14 | C13 | H22 | 107.9° | 109.5° |
| C13 | C14 | O5 | 120.7° | 120.0° |
| C13 | C14 | N5 | 117.5° | 120.0° |
| C15 | C13 | H22 | 107.8° | 109.5° |
| C13 | C15 | C16 | 115.1° | 109.5° |
| C13 | C15 | H23 | 108.1° | 109.5° |
| C13 | C15 | H24 | 108.1° | 109.5° |
| O5 | C14 | N5 | 121.8° | 120.0° |
| C16 | C15 | H23 | 108.0° | 109.5° |
| C16 | C15 | H24 | 108.1° | 109.4° |
| C15 | C16 | C17 | 109.4° | 109.4° |
| C15 | C16 | C18 | 114.3° | 109.4° |
| C15 | C16 | H25 | 107.8° | 109.5° |
| H23 | C15 | H24 | 109.4° | 109.5° |
| C17 | C16 | C18 | 109.2° | 109.5° |
| C17 | C16 | H25 | 107.8° | 109.5° |
| C16 | C17 | H26 | 109.5° | 109.4° |
| C16 | C17 | H27 | 109.5° | 109.5° |
| C16 | C17 | H28 | 109.5° | 109.5° |
| C18 | C16 | H25 | 108.1° | 109.5° |
| C16 | C18 | H29 | 109.5° | 109.5° |
| C16 | C18 | H30 | 109.5° | 109.5° |
| C16 | C18 | H31 | 109.5° | 109.5° |
| H26 | C17 | H27 | 109.5° | 109.5° |
| H26 | C17 | H28 | 109.4° | 109.5° |
| H27 | C17 | H28 | 109.5° | 109.5° |
| H29 | C18 | H30 | 109.5° | 109.4° |
| H29 | C18 | H31 | 109.5° | 109.4° |
| H30 | C18 | H31 | 109.4° | 109.5° |
| C19 | N5 | H32 | 118.8° | 120.0° |
| N5 | C19 | C20 | 108.5° | 109.5° |
| N5 | C19 | C21 | 108.1° | 109.5° |
| N5 | C19 | C22 | 110.1° | 109.4° |
| C19 | N5 | C14 | 122.3° | 120.0° |
| H32 | N5 | C14 | 118.9° | 120.0° |
| C20 | C19 | C21 | 107.7° | 109.5° |
| C20 | C19 | C22 | 111.4° | 109.5° |
| C19 | C20 | O6 | 121.9° | 120.0° |
| C19 | C20 | N6 | 116.0° | 120.0° |
| C21 | C19 | C22 | 110.8° | 109.5° |
| C19 | C21 | H33 | 109.5° | 109.5° |
| C19 | C21 | H34 | 109.4° | 109.5° |
| C19 | C21 | H35 | 109.5° | 109.5° |
| C19 | C22 | H36 | 109.5° | 109.5° |
| C19 | C22 | H37 | 109.5° | 109.5° |
| C19 | C22 | H38 | 109.5° | 109.5° |
| O6 | C20 | N6 | 122.0° | 120.0° |
| H33 | C21 | H34 | 109.5° | 109.4° |
| H33 | C21 | H35 | 109.5° | 109.4° |
| H34 | C21 | H35 | 109.5° | 109.5° |
| H36 | C22 | H37 | 109.5° | 109.5° |
| H36 | C22 | H38 | 109.4° | 109.5° |
| H37 | C22 | H38 | 109.5° | 109.5° |
| C23 | N6 | H39 | 118.8° | 120.0° |
| N6 | C23 | C24 | 112.2° | 109.5° |
| N6 | C23 | C25 | 109.0° | 109.5° |
| N6 | C23 | H40 | 107.7° | 109.5° |
| C23 | N6 | C20 | 122.4° | 120.0° |
| H39 | N6 | C20 | 118.8° | 120.0° |
| C24 | C23 | C25 | 113.2° | 109.4° |
| C24 | C23 | H40 | 107.1° | 109.5° |
| C23 | C24 | O7 | 119.3° | 120.0° |
| C23 | C24 | N8 | 117.0° | 120.0° |
| C25 | C23 | H40 | 107.4° | 109.5° |
| C23 | C25 | C26 | 112.0° | 109.4° |
| C23 | C25 | H41 | 108.8° | 109.5° |
| C23 | C25 | H42 | 108.9° | 109.5° |
| O7 | C24 | N8 | 123.7° | 120.0° |
| C26 | C25 | H41 | 108.8° | 109.4° |
| C26 | C25 | H42 | 108.8° | 109.5° |
| C25 | C26 | C27 | 112.7° | 109.5° |
| C25 | C26 | H43 | 108.6° | 109.5° |
| C25 | C26 | H44 | 108.7° | 109.5° |
| H41 | C25 | H42 | 109.5° | 109.5° |
| C27 | C26 | H43 | 108.7° | 109.5° |
| C27 | C26 | H44 | 108.7° | 109.5° |
| C26 | C27 | O8 | 124.2° | 120.0° |
| C26 | C27 | N7 | 113.2° | 120.0° |
| H43 | C26 | H44 | 109.5° | 109.5° |
| O8 | C27 | N7 | 122.3° | 120.0° |
| C27 | N7 | H45 | 120.0° | 120.0° |
| C27 | N7 | H46 | 120.0° | 120.0° |
| H45 | N7 | H46 | 120.0° | 120.0° |
| C28 | N8 | H47 | 119.1° | 120.0° |
| N8 | C28 | C29 | 108.0° | 109.5° |
| N8 | C28 | C30 | 107.2° | 109.5° |
| N8 | C28 | C31 | 110.6° | 109.5° |
| C28 | N8 | C24 | 121.7° | 120.0° |
| H47 | N8 | C24 | 119.1° | 120.0° |
| C29 | C28 | C30 | 109.2° | 109.5° |
| C29 | C28 | C31 | 111.2° | 109.5° |
| C28 | C29 | O9 | 121.3° | 120.0° |
| C28 | C29 | N9 | 116.2° | 120.0° |
| C30 | C28 | C31 | 110.5° | 109.5° |
| C28 | C30 | H48 | 109.5° | 109.5° |
| C28 | C30 | H49 | 109.5° | 109.4° |
| C28 | C30 | H50 | 109.5° | 109.5° |
| C28 | C31 | H51 | 109.5° | 109.5° |
| C28 | C31 | H52 | 109.5° | 109.4° |
| C28 | C31 | H53 | 109.5° | 109.5° |
| O9 | C29 | N9 | 122.5° | 120.0° |
| H48 | C30 | H49 | 109.4° | 109.5° |
| H48 | C30 | H50 | 109.5° | 109.5° |
| H49 | C30 | H50 | 109.5° | 109.5° |
| H51 | C31 | H52 | 109.5° | 109.5° |
| H51 | C31 | H53 | 109.5° | 109.5° |
| H52 | C31 | H53 | 109.5° | 109.5° |
| C32 | N9 | H54 | 118.7° | 119.9° |
| N9 | C32 | C33 | 108.4° | 109.5° |
| N9 | C32 | C34 | 107.7° | 109.4° |
| N9 | C32 | C35 | 111.7° | 109.5° |
| C32 | N9 | C29 | 122.6° | 120.0° |
| H54 | N9 | C29 | 118.7° | 120.0° |
| C33 | C32 | C34 | 108.1° | 109.5° |
| C33 | C32 | C35 | 110.3° | 109.5° |
| C32 | C33 | O10 | 121.7° | 120.0° |
| C32 | C33 | N10 | 116.1° | 120.0° |
| C34 | C32 | C35 | 110.6° | 109.4° |
| C32 | C34 | H55 | 109.5° | 109.5° |
| C32 | C34 | H56 | 109.5° | 109.5° |
| C32 | C34 | H57 | 109.5° | 109.5° |
| C32 | C35 | H58 | 109.5° | 109.5° |
| C32 | C35 | H59 | 109.4° | 109.5° |
| C32 | C35 | H60 | 109.5° | 109.5° |
| O10 | C33 | N10 | 122.0° | 120.0° |
| H55 | C34 | H56 | 109.4° | 109.4° |
| H55 | C34 | H57 | 109.4° | 109.5° |
| H56 | C34 | H57 | 109.5° | 109.4° |
| H58 | C35 | H59 | 109.5° | 109.5° |
| H58 | C35 | H60 | 109.4° | 109.4° |
| H59 | C35 | H60 | 109.5° | 109.5° |
| C36 | N10 | H61 | 118.9° | 120.0° |
| N10 | C36 | C37 | 108.9° | 109.5° |
| N10 | C36 | C38 | 109.3° | 109.4° |
| N10 | C36 | C39 | 110.0° | 109.5° |
| C36 | N10 | C33 | 122.2° | 120.0° |
| H61 | N10 | C33 | 118.9° | 120.0° |
| C37 | C36 | C38 | 107.5° | 109.5° |
| C37 | C36 | C39 | 111.6° | 109.5° |
| C36 | C37 | O11 | 121.6° | 120.0° |
| C36 | C37 | N11 | 115.9° | 120.0° |
| C38 | C36 | C39 | 109.5° | 109.5° |
| C36 | C38 | H62 | 109.5° | 109.5° |
| C36 | C38 | H63 | 109.5° | 109.5° |
| C36 | C38 | H64 | 109.4° | 109.5° |
| C36 | C39 | H65 | 109.5° | 109.5° |
| C36 | C39 | H66 | 109.5° | 109.4° |
| C36 | C39 | H67 | 109.4° | 109.5° |
| O11 | C37 | N11 | 122.5° | 120.0° |
| H62 | C38 | H63 | 109.4° | 109.4° |
| H62 | C38 | H64 | 109.5° | 109.5° |
| H63 | C38 | H64 | 109.5° | 109.5° |
| H65 | C39 | H66 | 109.5° | 109.5° |
| H65 | C39 | H67 | 109.5° | 109.5° |
| H66 | C39 | H67 | 109.5° | 109.5° |
| C40 | N11 | H68 | 119.2° | 120.0° |
| N11 | C40 | C41 | 113.6° | 109.4° |
| N11 | C40 | C42 | 109.8° | 109.5° |
| N11 | C40 | H69 | 108.5° | 109.4° |
| C40 | N11 | C37 | 121.7° | 120.0° |
| H68 | N11 | C37 | 119.1° | 120.1° |
| C41 | C40 | C42 | 109.4° | 109.5° |
| C41 | C40 | H69 | 107.6° | 109.5° |
| C40 | C41 | O12 | 119.3° | 120.0° |
| C40 | C41 | N12 | 116.8° | 120.0° |
| C42 | C40 | H69 | 107.7° | 109.5° |
| C40 | C42 | H70 | 109.5° | 109.4° |
| C40 | C42 | H71 | 109.5° | 109.4° |
| C40 | C42 | H72 | 109.5° | 109.5° |
| O12 | C41 | N12 | 123.8° | 120.0° |
| H70 | C42 | H71 | 109.4° | 109.5° |
| H70 | C42 | H72 | 109.4° | 109.6° |
| H71 | C42 | H72 | 109.5° | 109.5° |
| C43 | N12 | H73 | 118.6° | 120.1° |
| N12 | C43 | C44 | 114.0° | 109.4° |
| N12 | C43 | C45 | 109.3° | 109.5° |
| N12 | C43 | H74 | 108.7° | 109.5° |
| C43 | N12 | C41 | 122.8° | 120.0° |
| H73 | N12 | C41 | 118.6° | 120.0° |
| C44 | C43 | C45 | 109.3° | 109.5° |
| C44 | C43 | H74 | 107.7° | 109.5° |
| C43 | C44 | O13 | 119.7° | 120.0° |
| C43 | C44 | N13 | 117.6° | 120.0° |
| C45 | C43 | H74 | 107.6° | 109.5° |
| C43 | C45 | H75 | 109.5° | 109.4° |
| C43 | C45 | H76 | 109.5° | 109.5° |
| C43 | C45 | H77 | 109.5° | 109.5° |
| O13 | C44 | N13 | 122.6° | 120.0° |
| H75 | C45 | H76 | 109.4° | 109.5° |
| H75 | C45 | H77 | 109.5° | 109.5° |
| H76 | C45 | H77 | 109.4° | 109.5° |
| C46 | N13 | H78 | 119.0° | 120.0° |
| N13 | C46 | C47 | 112.5° | 109.5° |
| N13 | C46 | C48 | 109.1° | 109.5° |
| N13 | C46 | C49 | 109.5° | 109.5° |
| C46 | N13 | C44 | 122.1° | 120.0° |
| H78 | N13 | C44 | 118.9° | 120.0° |
| C47 | C46 | C48 | 107.7° | 109.4° |
| C47 | C46 | C49 | 110.1° | 109.5° |
| C46 | C47 | O14 | 118.4° | 120.0° |
| C46 | C47 | N14 | 120.4° | 120.0° |
| C48 | C46 | C49 | 107.8° | 109.5° |
| C46 | C48 | H79 | 109.5° | 109.5° |
| C46 | C48 | H80 | 109.5° | 109.5° |
| C46 | C48 | H81 | 109.5° | 109.5° |
| C46 | C49 | H82 | 109.5° | 109.4° |
| C46 | C49 | H83 | 109.5° | 109.5° |
| C46 | C49 | H84 | 109.4° | 109.4° |
| O14 | C47 | N14 | 121.2° | 120.0° |
| H79 | C48 | H80 | 109.4° | 109.5° |
| H79 | C48 | H81 | 109.4° | 109.5° |
| H80 | C48 | H81 | 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° |
| C50 | N14 | C54 | 111.4° | 108.7° |
| N14 | C50 | C51 | 116.1° | 109.9° |
| N14 | C50 | C52 | 104.1° | 107.2° |
| N14 | C50 | H85 | 108.9° | 109.9° |
| C50 | N14 | C47 | 117.9° | 125.6° |
| N14 | C54 | C53 | 102.1° | 104.7° |
| N14 | C54 | H90 | 111.3° | 110.4° |
| N14 | C54 | H91 | 111.3° | 110.4° |
| C54 | N14 | C47 | 130.4° | 125.7° |
| C51 | C50 | C52 | 111.3° | 109.9° |
| C51 | C50 | H85 | 108.1° | 109.9° |
| C50 | C51 | O15 | 118.7° | 120.0° |
| C50 | C51 | N15 | 118.3° | 120.0° |
| C52 | C50 | H85 | 108.1° | 110.0° |
| C50 | C52 | C53 | 103.8° | 102.9° |
| C50 | C52 | H86 | 110.9° | 110.8° |
| C50 | C52 | H87 | 110.9° | 110.8° |
| O15 | C51 | N15 | 123.1° | 120.0° |
| C53 | C52 | H86 | 110.9° | 110.7° |
| C53 | C52 | H87 | 110.9° | 110.7° |
| C52 | C53 | C54 | 102.5° | 101.5° |
| C52 | C53 | H88 | 111.2° | 111.0° |
| C52 | C53 | H89 | 111.2° | 111.0° |
| H86 | C52 | H87 | 109.5° | 110.7° |
| C54 | C53 | H88 | 111.2° | 111.2° |
| C54 | C53 | H89 | 111.2° | 110.9° |
| C53 | C54 | H90 | 111.3° | 110.5° |
| C53 | C54 | H91 | 111.3° | 110.3° |
| H88 | C53 | H89 | 109.5° | 110.9° |
| H90 | C54 | H91 | 109.4° | 110.5° |
| C55 | N15 | H92 | 121.0° | 120.0° |
| N15 | C55 | C56 | 110.2° | 109.5° |
| N15 | C55 | C57 | 110.3° | 109.4° |
| N15 | C55 | H93 | 108.6° | 109.6° |
| C55 | N15 | C51 | 118.1° | 120.0° |
| H92 | N15 | C51 | 120.9° | 120.0° |
| C56 | C55 | C57 | 111.9° | 109.4° |
| C56 | C55 | H93 | 107.8° | 109.5° |
| C55 | C56 | O16 | 121.5° | 120.0° |
| C55 | C56 | N16 | 116.0° | 120.0° |
| C57 | C55 | H93 | 108.0° | 109.4° |
| C55 | C57 | C58 | 114.2° | 109.4° |
| C55 | C57 | H94 | 108.3° | 109.4° |
| C55 | C57 | H95 | 108.3° | 109.4° |
| O16 | C56 | N16 | 122.4° | 120.0° |
| C58 | C57 | H94 | 108.3° | 109.5° |
| C58 | C57 | H95 | 108.3° | 109.5° |
| C57 | C58 | C59 | 112.4° | 109.5° |
| C57 | C58 | C60 | 109.1° | 109.5° |
| C57 | C58 | H96 | 108.0° | 109.5° |
| H94 | C57 | H95 | 109.5° | 109.5° |
| C59 | C58 | C60 | 110.9° | 109.4° |
| C59 | C58 | H96 | 108.2° | 109.5° |
| C58 | C59 | H97 | 109.5° | 109.5° |
| C58 | C59 | H98 | 109.4° | 109.5° |
| C58 | C59 | H99 | 109.5° | 109.5° |
| C60 | C58 | H96 | 108.0° | 109.4° |
| C58 | C60 | H100 | 109.5° | 109.5° |
| C58 | C60 | H101 | 109.4° | 109.5° |
| C58 | C60 | H102 | 109.4° | 109.5° |
| H97 | C59 | H98 | 109.5° | 109.5° |
| H97 | C59 | H99 | 109.5° | 109.5° |
| H98 | C59 | H99 | 109.5° | 109.4° |
| H100 | C60 | H101 | 109.4° | 109.5° |
| H100 | C60 | H102 | 109.5° | 109.4° |
| H101 | C60 | H102 | 109.5° | 109.5° |
| C61 | N16 | H103 | 119.5° | 120.0° |
| N16 | C61 | C62 | 109.6° | 109.5° |
| N16 | C61 | C63 | 106.9° | 109.5° |
| N16 | C61 | C64 | 110.4° | 109.4° |
| C61 | N16 | C56 | 121.1° | 120.0° |
| H103 | N16 | C56 | 119.4° | 120.0° |
| C62 | C61 | C63 | 107.8° | 109.5° |
| C62 | C61 | C64 | 111.9° | 109.5° |
| C61 | C62 | O17 | 122.0° | 119.9° |
| C61 | C62 | N17 | 116.2° | 120.0° |
| C63 | C61 | C64 | 110.2° | 109.5° |
| C61 | C63 | H104 | 109.5° | 109.5° |
| C61 | C63 | H105 | 109.4° | 109.5° |
| C61 | C63 | H106 | 109.5° | 109.4° |
| C61 | C64 | H107 | 109.5° | 109.5° |
| C61 | C64 | H108 | 109.5° | 109.4° |
| C61 | C64 | H109 | 109.5° | 109.5° |
| O17 | C62 | N17 | 121.8° | 120.0° |
| H104 | C63 | H105 | 109.5° | 109.5° |
| H104 | C63 | H106 | 109.5° | 109.5° |
| H105 | C63 | H106 | 109.4° | 109.5° |
| H107 | C64 | H108 | 109.5° | 109.5° |
| H107 | C64 | H109 | 109.5° | 109.5° |
| H108 | C64 | H109 | 109.4° | 109.5° |
| C65 | N17 | H110 | 118.0° | 120.0° |
| N17 | C65 | C66 | 110.5° | 109.5° |
| N17 | C65 | C67 | 108.1° | 109.4° |
| N17 | C65 | C68 | 110.1° | 109.5° |
| C65 | N17 | C62 | 124.1° | 120.0° |
| H110 | N17 | C62 | 117.9° | 120.0° |
| C66 | C65 | C67 | 106.6° | 109.5° |
| C66 | C65 | C68 | 110.5° | 109.5° |
| C65 | C66 | O18 | 121.1° | 120.0° |
| C65 | C66 | N18 | 116.9° | 120.0° |
| C67 | C65 | C68 | 110.9° | 109.5° |
| C65 | C67 | H111 | 109.5° | 109.5° |
| C65 | C67 | H112 | 109.5° | 109.5° |
| C65 | C67 | H113 | 109.5° | 109.4° |
| C65 | C68 | H114 | 109.5° | 109.5° |
| C65 | C68 | H115 | 109.5° | 109.5° |
| C65 | C68 | H116 | 109.5° | 109.4° |
| O18 | C66 | N18 | 122.0° | 120.0° |
| H111 | C67 | H112 | 109.5° | 109.5° |
| H111 | C67 | H113 | 109.5° | 109.5° |
| H112 | C67 | H113 | 109.4° | 109.4° |
| H114 | C68 | H115 | 109.5° | 109.5° |
| H114 | C68 | H116 | 109.5° | 109.5° |
| H115 | C68 | H116 | 109.5° | 109.5° |
| C69 | N18 | H117 | 118.6° | 120.0° |
| N18 | C69 | C70 | 113.4° | 109.5° |
| N18 | C69 | C71 | 109.3° | 109.5° |
| N18 | C69 | H118 | 107.7° | 109.5° |
| C69 | N18 | C66 | 122.7° | 120.0° |
| H117 | N18 | C66 | 118.6° | 120.0° |
| C70 | C69 | C71 | 112.3° | 109.5° |
| C70 | C69 | H118 | 106.9° | 109.5° |
| C69 | C70 | O19 | 117.5° | 120.0° |
| C69 | C70 | N20 | 120.0° | 120.0° |
| C71 | C69 | H118 | 106.9° | 109.5° |
| C69 | C71 | C72 | 111.5° | 109.5° |
| C69 | C71 | H119 | 108.9° | 109.5° |
| C69 | C71 | H120 | 109.0° | 109.5° |
| O19 | C70 | N20 | 122.5° | 120.0° |
| C72 | C71 | H119 | 108.9° | 109.5° |
| C72 | C71 | H120 | 109.0° | 109.5° |
| C71 | C72 | C73 | 110.4° | 109.5° |
| C71 | C72 | H121 | 109.2° | 109.5° |
| C71 | C72 | H122 | 109.2° | 109.5° |
| H119 | C71 | H120 | 109.5° | 109.4° |
| C73 | C72 | H121 | 109.2° | 109.4° |
| C73 | C72 | H122 | 109.3° | 109.5° |
| C72 | C73 | O20 | 119.1° | 120.0° |
| C72 | C73 | N19 | 120.0° | 120.0° |
| H121 | C72 | H122 | 109.5° | 109.5° |
| O20 | C73 | N19 | 120.8° | 120.0° |
| C73 | N19 | H123 | 120.0° | 120.0° |
| C73 | N19 | H124 | 120.0° | 120.0° |
| H123 | N19 | H124 | 120.0° | 120.0° |
| C74 | N20 | H125 | 114.9° | 120.0° |
| N20 | C74 | C75 | 113.2° | 109.4° |
| N20 | C74 | C78 | 114.7° | 109.5° |
| N20 | C74 | H126 | 101.0° | 109.5° |
| C74 | N20 | C70 | 130.1° | 119.9° |
| H125 | N20 | C70 | 115.0° | 120.0° |
| C75 | C74 | C78 | 121.8° | 109.5° |
| C75 | C74 | H126 | 100.8° | 109.4° |
| C74 | C75 | C76 | 116.3° | 109.5° |
| C74 | C75 | C77 | 115.3° | 109.5° |
| C74 | C75 | H127 | 105.3° | 109.5° |
| C78 | C74 | H126 | 100.7° | 109.5° |
| C74 | C78 | O21 | 119.9° | 109.5° |
| C74 | C78 | H134 | 106.8° | 109.4° |
| C74 | C78 | H135 | 106.8° | 109.5° |
| C76 | C75 | C77 | 109.4° | 109.4° |
| C76 | C75 | H127 | 104.6° | 109.5° |
| C75 | C76 | H128 | 109.5° | 109.5° |
| C75 | C76 | H129 | 109.5° | 109.5° |
| C75 | C76 | H130 | 109.5° | 109.5° |
| C77 | C75 | H127 | 104.6° | 109.5° |
| C75 | C77 | H131 | 109.5° | 109.5° |
| C75 | C77 | H132 | 109.5° | 109.5° |
| C75 | C77 | H133 | 109.5° | 109.5° |
| H128 | C76 | H129 | 109.4° | 109.4° |
| H128 | C76 | H130 | 109.5° | 109.5° |
| H129 | C76 | H130 | 109.5° | 109.5° |
| H131 | C77 | H132 | 109.4° | 109.4° |
| H131 | C77 | H133 | 109.5° | 109.5° |
| H132 | C77 | H133 | 109.5° | 109.5° |
| O21 | C78 | H134 | 106.8° | 109.5° |
| O21 | C78 | H135 | 106.8° | 109.5° |
| C78 | O21 | H136 | 109.5° | 114.0° |
| H134 | C78 | H135 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 178.4° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 90.0° |
| O1 | C1 | C2 | H2 | 120.0° | 150.0° |
| O1 | C1 | C2 | H3 | 120.0° | 30.0° |
| O1 | C1 | N1 | C3 | 3.3° | 0.0° |
| O1 | C1 | N1 | H4 | 176.7° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 119.9° |
| C1 | C2 | H2 | H3 | 120.0° | 119.9° |
| C2 | C1 | N1 | C3 | 175.1° | 179.7° |
| C2 | C1 | N1 | H4 | 4.9° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.1° |
| H1 | C2 | C1 | N1 | 178.4° | 89.8° |
| H2 | C2 | C1 | N1 | 61.5° | 30.3° |
| H3 | C2 | C1 | N1 | 58.4° | 150.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 116.5° | 120.1° |
| N1 | C3 | C4 | C6 | 124.2° | 120.0° |
| N1 | C3 | C5 | C6 | 121.5° | 120.0° |
| N1 | C3 | C4 | O2 | 137.1° | 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 | 46.6° | 34.9° |
| H4 | N1 | C3 | C4 | 123.3° | 0.0° |
| H4 | N1 | C3 | C5 | 6.8° | 120.0° |
| H4 | N1 | C3 | C6 | 112.8° | 120.0° |
| C4 | C3 | C5 | C6 | 121.0° | 120.0° |
| C3 | C4 | O2 | N2 | 176.2° | 179.9° |
| C4 | C3 | C5 | H5 | 62.6° | 179.9° |
| C4 | C3 | C5 | H6 | 177.4° | 60.0° |
| C4 | C3 | C5 | H7 | 57.5° | 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 | 174.9° | 180.0° |
| C3 | C4 | N2 | H11 | 5.1° | 0.1° |
| C4 | C3 | N1 | C1 | 56.7° | 180.0° |
| C5 | C3 | C4 | O2 | 106.4° | 24.9° |
| 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 | 61.2° | 180.0° |
| C5 | C3 | C6 | H9 | 178.8° | 60.0° |
| C5 | C3 | C6 | H10 | 58.8° | 60.0° |
| C5 | C3 | N1 | C1 | 173.2° | 60.0° |
| C5 | C3 | C4 | N2 | 69.9° | 155.0° |
| C6 | C3 | C4 | O2 | 12.9° | 95.0° |
| C6 | C3 | C5 | H5 | 58.5° | 60.0° |
| C6 | C3 | C5 | H6 | 61.6° | 60.0° |
| C6 | C3 | C5 | H7 | 178.5° | 180.0° |
| C3 | C6 | H8 | H9 | 120.0° | 120.0° |
| C3 | C6 | H8 | H10 | 120.0° | 119.9° |
| C3 | C6 | H9 | H10 | 120.0° | 119.9° |
| C6 | C3 | N1 | C1 | 67.2° | 60.0° |
| C6 | C3 | C4 | N2 | 170.8° | 85.0° |
| O2 | C4 | N2 | C7 | 1.4° | 0.0° |
| O2 | C4 | N2 | H11 | 178.6° | 180.0° |
| H5 | C5 | H6 | H7 | 120.0° | 120.0° |
| H8 | C6 | H9 | H10 | 120.0° | 120.0° |
| C7 | N2 | H11 | C4 | 180.0° | 180.0° |
| N2 | C7 | C8 | H12 | 120.4° | 120.0° |
| N2 | C7 | C8 | H13 | 120.4° | 120.0° |
| N2 | C7 | H12 | H13 | 118.8° | 120.0° |
| N2 | C7 | C8 | O3 | 139.1° | 0.0° |
| N2 | C7 | C8 | N3 | 40.1° | 180.0° |
| H11 | N2 | C7 | C8 | 109.6° | 0.0° |
| H11 | N2 | C7 | H12 | 130.0° | 120.0° |
| H11 | N2 | C7 | H13 | 10.8° | 120.0° |
| C8 | C7 | H12 | H13 | 118.9° | 120.0° |
| C7 | C8 | O3 | N3 | 179.1° | 180.0° |
| C7 | C8 | N3 | C9 | 175.4° | 175.1° |
| C7 | C8 | N3 | H14 | 4.6° | 4.8° |
| C8 | C7 | N2 | C4 | 70.4° | 180.0° |
| H12 | C7 | C8 | O3 | 18.7° | 120.0° |
| H12 | C7 | N2 | C4 | 50.0° | 60.0° |
| H12 | C7 | C8 | N3 | 160.5° | 60.0° |
| H13 | C7 | C8 | O3 | 100.6° | 120.0° |
| H13 | C7 | N2 | C4 | 169.2° | 60.0° |
| H13 | C7 | C8 | N3 | 80.3° | 60.0° |
| O3 | C8 | N3 | C9 | 3.7° | 4.9° |
| O3 | C8 | N3 | H14 | 176.3° | 175.2° |
| C9 | N3 | H14 | C8 | 180.0° | 180.0° |
| N3 | C9 | C10 | C11 | 118.3° | 120.0° |
| N3 | C9 | C10 | C12 | 121.0° | 120.0° |
| N3 | C9 | C11 | C12 | 119.6° | 119.9° |
| N3 | C9 | C10 | O4 | 134.4° | 143.5° |
| N3 | C9 | C11 | H15 | 180.0° | 60.0° |
| N3 | C9 | C11 | H16 | 60.0° | 180.0° |
| N3 | C9 | C11 | H17 | 60.0° | 60.0° |
| N3 | C9 | C12 | H18 | 180.0° | 51.7° |
| N3 | C9 | C12 | H19 | 60.0° | 171.7° |
| N3 | C9 | C12 | H20 | 60.0° | 68.3° |
| N3 | C9 | C10 | N4 | 47.4° | 36.5° |
| H14 | N3 | C9 | C10 | 125.9° | 0.3° |
| H14 | N3 | C9 | C11 | 7.4° | 120.3° |
| H14 | N3 | C9 | C12 | 112.0° | 119.7° |
| C10 | C9 | C11 | C12 | 122.1° | 120.0° |
| C9 | C10 | O4 | N4 | 178.0° | 179.9° |
| C10 | C9 | C11 | H15 | 61.8° | 180.0° |
| C10 | C9 | C11 | H16 | 178.3° | 60.0° |
| C10 | C9 | C11 | H17 | 58.3° | 60.0° |
| C10 | C9 | C12 | H18 | 59.6° | 68.3° |
| C10 | C9 | C12 | H19 | 60.4° | 51.7° |
| C10 | C9 | C12 | H20 | 179.7° | 171.7° |
| C9 | C10 | N4 | C13 | 177.6° | 177.3° |
| C9 | C10 | N4 | H21 | 2.4° | 2.9° |
| C10 | C9 | N3 | C8 | 54.0° | 179.7° |
| C11 | C9 | C10 | O4 | 107.3° | 23.5° |
| C9 | C11 | H15 | H16 | 120.0° | 120.0° |
| C9 | C11 | H15 | H17 | 120.0° | 120.0° |
| C9 | C11 | H16 | H17 | 120.0° | 120.0° |
| C11 | C9 | C12 | H18 | 61.0° | 171.7° |
| C11 | C9 | C12 | H19 | 179.0° | 68.3° |
| C11 | C9 | C12 | H20 | 59.0° | 51.7° |
| C11 | C9 | N3 | C8 | 172.6° | 59.7° |
| C11 | C9 | C10 | N4 | 70.8° | 156.6° |
| C12 | C9 | C10 | O4 | 13.5° | 96.5° |
| C12 | C9 | C11 | H15 | 60.4° | 60.0° |
| C12 | C9 | C11 | H16 | 59.6° | 60.0° |
| C12 | C9 | C11 | H17 | 179.6° | 180.0° |
| C9 | C12 | H18 | H19 | 120.0° | 120.0° |
| C9 | C12 | H18 | H20 | 120.0° | 120.0° |
| C9 | C12 | H19 | H20 | 120.0° | 120.0° |
| C12 | C9 | N3 | C8 | 68.1° | 60.3° |
| C12 | C9 | C10 | N4 | 168.4° | 83.4° |
| O4 | C10 | N4 | C13 | 0.6° | 2.7° |
| O4 | C10 | N4 | H21 | 179.4° | 177.2° |
| H15 | C11 | H16 | H17 | 120.0° | 120.0° |
| H18 | C12 | H19 | H20 | 120.0° | 120.0° |
| C13 | N4 | H21 | C10 | 180.0° | 179.9° |
| N4 | C13 | C14 | C15 | 122.2° | 119.9° |
| N4 | C13 | C14 | H22 | 118.5° | 120.0° |
| N4 | C13 | C15 | H22 | 117.4° | 120.0° |
| N4 | C13 | C14 | O5 | 134.1° | 8.8° |
| N4 | C13 | C15 | C16 | 159.7° | 68.6° |
| N4 | C13 | C15 | H23 | 38.9° | 51.5° |
| N4 | C13 | C15 | H24 | 79.4° | 171.5° |
| N4 | C13 | C14 | N5 | 45.6° | 171.2° |
| H21 | N4 | C13 | C14 | 113.3° | 64.5° |
| H21 | N4 | C13 | C15 | 11.7° | 55.4° |
| H21 | N4 | C13 | H22 | 128.7° | 175.5° |
| C14 | C13 | C15 | H22 | 119.3° | 120.0° |
| C13 | C14 | O5 | N5 | 179.6° | 180.0° |
| C14 | C13 | C15 | C16 | 77.0° | 171.5° |
| C14 | C13 | C15 | H23 | 162.1° | 68.5° |
| C14 | C13 | C15 | H24 | 43.8° | 51.5° |
| C13 | C14 | N5 | C19 | 177.6° | 175.0° |
| C13 | C14 | N5 | H32 | 2.4° | 5.0° |
| C14 | C13 | N4 | C10 | 66.8° | 115.4° |
| C15 | C13 | C14 | O5 | 103.7° | 111.2° |
| C13 | C15 | C16 | H23 | 120.8° | 120.0° |
| C13 | C15 | C16 | H24 | 120.8° | 119.9° |
| C13 | C15 | H23 | H24 | 117.5° | 120.0° |
| C13 | C15 | C16 | C17 | 163.9° | 72.2° |
| C13 | C15 | C16 | C18 | 73.3° | 167.8° |
| C13 | C15 | C16 | H25 | 46.8° | 47.8° |
| C15 | C13 | N4 | C10 | 168.2° | 124.7° |
| C15 | C13 | C14 | N5 | 76.6° | 68.9° |
| H22 | C13 | C14 | O5 | 15.6° | 128.8° |
| H22 | C13 | C15 | C16 | 42.3° | 51.5° |
| H22 | C13 | C15 | H23 | 78.5° | 171.5° |
| H22 | C13 | C15 | H24 | 163.1° | 68.5° |
| H22 | C13 | N4 | C10 | 51.3° | 4.7° |
| H22 | C13 | C14 | N5 | 164.1° | 51.1° |
| O5 | C14 | N5 | C19 | 2.0° | 4.9° |
| O5 | C14 | N5 | H32 | 178.0° | 175.0° |
| C16 | C15 | H23 | H24 | 117.4° | 120.0° |
| C15 | C16 | C17 | C18 | 125.8° | 120.0° |
| C15 | C16 | C17 | H25 | 117.0° | 120.0° |
| C15 | C16 | C18 | H25 | 120.0° | 120.0° |
| C15 | C16 | C17 | H26 | 180.0° | 172.6° |
| C15 | C16 | C17 | H27 | 60.0° | 52.6° |
| C15 | C16 | C17 | H28 | 60.0° | 67.4° |
| C15 | C16 | C18 | H29 | 180.0° | 60.0° |
| C15 | C16 | C18 | H30 | 60.0° | 180.0° |
| C15 | C16 | C18 | H31 | 60.0° | 60.0° |
| H23 | C15 | C16 | C17 | 43.0° | 47.9° |
| H23 | C15 | C16 | C18 | 165.8° | 72.1° |
| H23 | C15 | C16 | H25 | 74.0° | 167.9° |
| H24 | C15 | C16 | C17 | 75.3° | 167.9° |
| H24 | C15 | C16 | C18 | 47.5° | 47.9° |
| H24 | C15 | C16 | H25 | 167.7° | 72.1° |
| C17 | C16 | C18 | H25 | 117.0° | 120.1° |
| C16 | C17 | H26 | H27 | 120.0° | 120.0° |
| C16 | C17 | H26 | H28 | 120.0° | 119.9° |
| C16 | C17 | H27 | H28 | 120.0° | 120.0° |
| C17 | C16 | C18 | H29 | 57.1° | 180.0° |
| C17 | C16 | C18 | H30 | 63.0° | 60.1° |
| C17 | C16 | C18 | H31 | 177.1° | 60.0° |
| C18 | C16 | C17 | H26 | 54.2° | 67.4° |
| C18 | C16 | C17 | H27 | 174.2° | 172.6° |
| C18 | C16 | C17 | H28 | 65.8° | 52.5° |
| C16 | C18 | H29 | H30 | 120.0° | 120.0° |
| C16 | C18 | H29 | H31 | 120.0° | 120.0° |
| C16 | C18 | H30 | H31 | 120.0° | 120.1° |
| H25 | C16 | C17 | H26 | 63.0° | 52.7° |
| H25 | C16 | C17 | H27 | 57.0° | 67.4° |
| H25 | C16 | C17 | H28 | 177.0° | 172.6° |
| H25 | C16 | C18 | H29 | 60.0° | 60.0° |
| H25 | C16 | C18 | H30 | 180.0° | 60.0° |
| H25 | C16 | C18 | H31 | 60.0° | 179.9° |
| H26 | C17 | H27 | H28 | 119.9° | 120.0° |
| H29 | C18 | H30 | H31 | 120.0° | 119.9° |
| C19 | N5 | H32 | C14 | 180.0° | 180.0° |
| N5 | C19 | C20 | C21 | 116.8° | 120.0° |
| N5 | C19 | C20 | C22 | 121.4° | 120.0° |
| N5 | C19 | C21 | C22 | 120.7° | 120.0° |
| N5 | C19 | C20 | O6 | 137.9° | 142.8° |
| N5 | C19 | C21 | H33 | 180.0° | 60.0° |
| N5 | C19 | C21 | H34 | 60.0° | 180.0° |
| N5 | C19 | C21 | H35 | 60.0° | 60.0° |
| N5 | C19 | C22 | H36 | 180.0° | 60.0° |
| N5 | C19 | C22 | H37 | 60.0° | 180.0° |
| N5 | C19 | C22 | H38 | 60.0° | 60.0° |
| N5 | C19 | C20 | N6 | 46.9° | 37.2° |
| H32 | N5 | C19 | C20 | 130.7° | 2.0° |
| H32 | N5 | C19 | C21 | 14.1° | 118.0° |
| H32 | N5 | C19 | C22 | 107.1° | 122.0° |
| C20 | C19 | C21 | C22 | 122.2° | 120.0° |
| C19 | C20 | O6 | N6 | 174.9° | 180.0° |
| C20 | C19 | C21 | H33 | 62.9° | 180.0° |
| C20 | C19 | C21 | H34 | 177.1° | 60.0° |
| C20 | C19 | C21 | H35 | 57.1° | 60.0° |
| C20 | C19 | C22 | H36 | 59.5° | 59.9° |
| C20 | C19 | C22 | H37 | 60.5° | 60.0° |
| C20 | C19 | C22 | H38 | 179.5° | 180.0° |
| C19 | C20 | N6 | C23 | 173.6° | 174.2° |
| C19 | C20 | N6 | H39 | 6.4° | 5.8° |
| C20 | C19 | N5 | C14 | 49.3° | 178.0° |
| C21 | C19 | C20 | O6 | 105.2° | 22.8° |
| C19 | C21 | H33 | H34 | 120.0° | 120.1° |
| C19 | C21 | H33 | H35 | 120.0° | 120.0° |
| C19 | C21 | H34 | H35 | 120.0° | 120.0° |
| C21 | C19 | C22 | H36 | 60.4° | 180.0° |
| C21 | C19 | C22 | H37 | 179.5° | 60.0° |
| C21 | C19 | C22 | H38 | 59.5° | 60.0° |
| C21 | C19 | N5 | C14 | 165.9° | 62.0° |
| C21 | C19 | C20 | N6 | 69.9° | 157.2° |
| C22 | C19 | C20 | O6 | 16.5° | 97.2° |
| C22 | C19 | C21 | H33 | 59.3° | 60.0° |
| C22 | C19 | C21 | H34 | 60.7° | 60.0° |
| C22 | C19 | C21 | H35 | 179.3° | 180.0° |
| C19 | C22 | H36 | H37 | 120.0° | 120.0° |
| C19 | C22 | H36 | H38 | 120.0° | 120.0° |
| C19 | C22 | H37 | H38 | 120.0° | 120.0° |
| C22 | C19 | N5 | C14 | 72.9° | 58.0° |
| C22 | C19 | C20 | N6 | 168.3° | 82.8° |
| O6 | C20 | N6 | C23 | 1.6° | 5.8° |
| O6 | C20 | N6 | H39 | 178.4° | 174.2° |
| H33 | C21 | H34 | H35 | 120.0° | 119.9° |
| H36 | C22 | H37 | H38 | 119.9° | 120.1° |
| C23 | N6 | H39 | C20 | 180.0° | 180.0° |
| N6 | C23 | C24 | C25 | 124.0° | 120.0° |
| N6 | C23 | C24 | H40 | 117.9° | 120.0° |
| N6 | C23 | C25 | H40 | 116.4° | 120.0° |
| N6 | C23 | C24 | O7 | 138.4° | 13.1° |
| N6 | C23 | C25 | C26 | 171.5° | 65.0° |
| N6 | C23 | C25 | H41 | 51.1° | 55.0° |
| N6 | C23 | C25 | H42 | 68.1° | 175.0° |
| N6 | C23 | C24 | N8 | 43.6° | 166.9° |
| H39 | N6 | C23 | C24 | 108.7° | 40.2° |
| H39 | N6 | C23 | C25 | 17.5° | 79.8° |
| H39 | N6 | C23 | H40 | 133.7° | 160.2° |
| C24 | C23 | C25 | H40 | 117.9° | 120.0° |
| C23 | C24 | O7 | N8 | 177.9° | 180.0° |
| C24 | C23 | C25 | C26 | 62.8° | 175.0° |
| C24 | C23 | C25 | H41 | 176.8° | 65.1° |
| C24 | C23 | C25 | H42 | 57.6° | 55.0° |
| C23 | C24 | N8 | C28 | 176.9° | 175.8° |
| C23 | C24 | N8 | H47 | 3.1° | 4.2° |
| C24 | C23 | N6 | C20 | 71.3° | 139.7° |
| C25 | C23 | C24 | O7 | 97.7° | 106.9° |
| C23 | C25 | C26 | H41 | 120.4° | 119.9° |
| C23 | C25 | C26 | H42 | 120.4° | 120.0° |
| C23 | C25 | H41 | H42 | 118.9° | 120.1° |
| C23 | C25 | C26 | C27 | 160.1° | 180.0° |
| C23 | C25 | C26 | H43 | 79.4° | 60.1° |
| C23 | C25 | C26 | H44 | 39.6° | 60.0° |
| C25 | C23 | N6 | C20 | 162.5° | 100.3° |
| C25 | C23 | C24 | N8 | 80.3° | 73.0° |
| H40 | C23 | C24 | O7 | 20.4° | 133.1° |
| H40 | C23 | C25 | C26 | 55.1° | 55.1° |
| H40 | C23 | C25 | H41 | 65.2° | 175.0° |
| H40 | C23 | C25 | H42 | 175.5° | 65.0° |
| H40 | C23 | N6 | C20 | 46.3° | 19.8° |
| H40 | C23 | C24 | N8 | 161.6° | 46.9° |
| O7 | C24 | N8 | C28 | 5.2° | 4.2° |
| O7 | C24 | N8 | H47 | 174.8° | 175.8° |
| C26 | C25 | H41 | H42 | 118.8° | 120.0° |
| C25 | C26 | C27 | H43 | 120.5° | 120.0° |
| C25 | C26 | C27 | H44 | 120.5° | 120.1° |
| C25 | C26 | H43 | H44 | 118.5° | 120.1° |
| C25 | C26 | C27 | O8 | 42.8° | 0.1° |
| C25 | C26 | C27 | N7 | 142.5° | 180.0° |
| H41 | C25 | C26 | C27 | 39.7° | 60.0° |
| H41 | C25 | C26 | H43 | 160.2° | 180.0° |
| H41 | C25 | C26 | H44 | 80.8° | 60.0° |
| H42 | C25 | C26 | C27 | 79.5° | 60.0° |
| H42 | C25 | C26 | H43 | 41.0° | 60.0° |
| H42 | C25 | C26 | H44 | 160.0° | 180.0° |
| C27 | C26 | H43 | H44 | 118.5° | 120.0° |
| C26 | C27 | O8 | N7 | 174.2° | 179.9° |
| C26 | C27 | N7 | H45 | 174.8° | 0.1° |
| C26 | C27 | N7 | H46 | 5.2° | 180.0° |
| H43 | C26 | C27 | O8 | 163.3° | 120.0° |
| H43 | C26 | C27 | N7 | 22.1° | 60.0° |
| H44 | C26 | C27 | O8 | 77.7° | 120.0° |
| H44 | C26 | C27 | N7 | 97.0° | 59.9° |
| O8 | C27 | N7 | H45 | 0.0° | 180.0° |
| O8 | C27 | N7 | H46 | 180.0° | 0.1° |
| C27 | N7 | H45 | H46 | 180.0° | 179.9° |
| C28 | N8 | H47 | C24 | 180.0° | 180.0° |
| N8 | C28 | C29 | C30 | 116.2° | 120.0° |
| N8 | C28 | C29 | C31 | 121.5° | 120.0° |
| N8 | C28 | C30 | C31 | 120.6° | 120.0° |
| N8 | C28 | C29 | O9 | 130.5° | 145.6° |
| N8 | C28 | C30 | H48 | 180.0° | 60.0° |
| N8 | C28 | C30 | H49 | 60.0° | 180.0° |
| N8 | C28 | C30 | H50 | 60.0° | 60.0° |
| N8 | C28 | C31 | H51 | 180.0° | 60.0° |
| N8 | C28 | C31 | H52 | 60.0° | 180.0° |
| N8 | C28 | C31 | H53 | 60.0° | 60.0° |
| N8 | C28 | C29 | N9 | 52.1° | 34.3° |
| H47 | N8 | C28 | C29 | 125.7° | 4.1° |
| H47 | N8 | C28 | C30 | 8.1° | 115.9° |
| H47 | N8 | C28 | C31 | 112.4° | 124.1° |
| C29 | C28 | C30 | C31 | 122.7° | 120.0° |
| C28 | C29 | O9 | N9 | 177.2° | 180.0° |
| C29 | C28 | C30 | H48 | 63.3° | 180.0° |
| C29 | C28 | C30 | H49 | 176.8° | 60.0° |
| C29 | C28 | C30 | H50 | 56.8° | 60.0° |
| C29 | C28 | C31 | H51 | 60.0° | 60.0° |
| C29 | C28 | C31 | H52 | 60.0° | 60.0° |
| C29 | C28 | C31 | H53 | 180.0° | 180.0° |
| C28 | C29 | N9 | C32 | 179.2° | 175.0° |
| C28 | C29 | N9 | H54 | 0.8° | 4.9° |
| C29 | C28 | N8 | C24 | 54.3° | 175.9° |
| C30 | C28 | C29 | O9 | 113.3° | 25.7° |
| C28 | C30 | H48 | H49 | 120.0° | 119.9° |
| C28 | C30 | H48 | H50 | 120.0° | 120.0° |
| C28 | C30 | H49 | H50 | 120.0° | 120.0° |
| C30 | C28 | C31 | H51 | 61.5° | 180.0° |
| C30 | C28 | C31 | H52 | 178.5° | 60.0° |
| C30 | C28 | C31 | H53 | 58.5° | 59.9° |
| C30 | C28 | N8 | C24 | 171.9° | 64.1° |
| C30 | C28 | C29 | N9 | 64.1° | 154.3° |
| C31 | C28 | C29 | O9 | 9.0° | 94.4° |
| C31 | C28 | C30 | H48 | 59.4° | 59.9° |
| C31 | C28 | C30 | H49 | 60.6° | 60.0° |
| C31 | C28 | C30 | H50 | 179.4° | 180.0° |
| C28 | C31 | H51 | H52 | 120.0° | 119.9° |
| C28 | C31 | H51 | H53 | 120.0° | 120.0° |
| C28 | C31 | H52 | H53 | 120.0° | 120.0° |
| C31 | C28 | N8 | C24 | 67.6° | 55.9° |
| C31 | C28 | C29 | N9 | 173.7° | 85.7° |
| O9 | C29 | N9 | C32 | 1.8° | 5.0° |
| O9 | C29 | N9 | H54 | 178.2° | 175.0° |
| H48 | C30 | H49 | H50 | 120.0° | 120.1° |
| H51 | C31 | H52 | H53 | 120.0° | 120.1° |
| C32 | N9 | H54 | C29 | 180.0° | 179.9° |
| N9 | C32 | C33 | C34 | 116.5° | 120.0° |
| N9 | C32 | C33 | C35 | 122.5° | 120.0° |
| N9 | C32 | C34 | C35 | 122.3° | 120.0° |
| N9 | C32 | C33 | O10 | 133.7° | 145.7° |
| N9 | C32 | C34 | H55 | 180.0° | 60.0° |
| N9 | C32 | C34 | H56 | 60.0° | 180.0° |
| N9 | C32 | C34 | H57 | 60.0° | 60.0° |
| N9 | C32 | C35 | H58 | 180.0° | 60.0° |
| N9 | C32 | C35 | H59 | 60.0° | 180.0° |
| N9 | C32 | C35 | H60 | 60.0° | 59.9° |
| N9 | C32 | C33 | N10 | 49.4° | 34.2° |
| H54 | N9 | C32 | C33 | 122.9° | 2.0° |
| H54 | N9 | C32 | C34 | 6.1° | 118.0° |
| H54 | N9 | C32 | C35 | 115.5° | 122.0° |
| C33 | C32 | C34 | C35 | 120.8° | 120.0° |
| C32 | C33 | O10 | N10 | 176.7° | 179.9° |
| C33 | C32 | C34 | H55 | 63.1° | 179.9° |
| C33 | C32 | C34 | H56 | 177.0° | 60.0° |
| C33 | C32 | C34 | H57 | 56.9° | 60.0° |
| C33 | C32 | C35 | H58 | 59.5° | 60.1° |
| C33 | C32 | C35 | H59 | 60.6° | 60.0° |
| C33 | C32 | C35 | H60 | 179.4° | 180.0° |
| C32 | C33 | N10 | C36 | 175.2° | 175.0° |
| C32 | C33 | N10 | H61 | 4.8° | 4.9° |
| C33 | C32 | N9 | C29 | 57.1° | 177.9° |
| C34 | C32 | C33 | O10 | 109.9° | 25.7° |
| C32 | C34 | H55 | H56 | 120.0° | 120.0° |
| C32 | C34 | H55 | H57 | 120.0° | 120.1° |
| C32 | C34 | H56 | H57 | 120.0° | 120.0° |
| C34 | C32 | C35 | H58 | 60.0° | 180.0° |
| C34 | C32 | C35 | H59 | 179.9° | 60.0° |
| C34 | C32 | C35 | H60 | 59.9° | 60.0° |
| C34 | C32 | N9 | C29 | 173.9° | 62.0° |
| C34 | C32 | C33 | N10 | 67.0° | 154.2° |
| C35 | C32 | C33 | O10 | 11.1° | 94.2° |
| C35 | C32 | C34 | H55 | 57.7° | 60.0° |
| C35 | C32 | C34 | H56 | 62.3° | 60.0° |
| C35 | C32 | C34 | H57 | 177.7° | 180.0° |
| C32 | C35 | H58 | H59 | 120.0° | 120.0° |
| C32 | C35 | H58 | H60 | 120.0° | 120.0° |
| C32 | C35 | H59 | H60 | 120.0° | 120.0° |
| C35 | C32 | N9 | C29 | 64.5° | 57.9° |
| C35 | C32 | C33 | N10 | 172.0° | 85.9° |
| O10 | C33 | N10 | C36 | 1.7° | 5.1° |
| O10 | C33 | N10 | H61 | 178.3° | 175.0° |
| H55 | C34 | H56 | H57 | 119.9° | 119.9° |
| H58 | C35 | H59 | H60 | 120.0° | 120.0° |
| C36 | N10 | H61 | C33 | 180.0° | 179.9° |
| N10 | C36 | C37 | C38 | 118.3° | 120.0° |
| N10 | C36 | C37 | C39 | 121.7° | 120.0° |
| N10 | C36 | C38 | C39 | 120.6° | 120.0° |
| N10 | C36 | C37 | O11 | 136.5° | 145.7° |
| N10 | C36 | C38 | H62 | 180.0° | 60.0° |
| N10 | C36 | C38 | H63 | 60.0° | 180.0° |
| N10 | C36 | C38 | H64 | 60.0° | 60.0° |
| N10 | C36 | C39 | H65 | 180.0° | 60.1° |
| N10 | C36 | C39 | H66 | 60.0° | 180.0° |
| N10 | C36 | C39 | H67 | 60.0° | 60.0° |
| N10 | C36 | C37 | N11 | 45.3° | 34.2° |
| H61 | N10 | C36 | C37 | 127.7° | 2.0° |
| H61 | N10 | C36 | C38 | 10.5° | 118.0° |
| H61 | N10 | C36 | C39 | 109.7° | 122.0° |
| C37 | C36 | C38 | C39 | 121.3° | 120.0° |
| C36 | C37 | O11 | N11 | 178.1° | 179.9° |
| C37 | C36 | C38 | H62 | 61.9° | 180.0° |
| C37 | C36 | C38 | H63 | 178.1° | 60.0° |
| C37 | C36 | C38 | H64 | 58.1° | 60.0° |
| C37 | C36 | C39 | H65 | 58.9° | 59.9° |
| C37 | C36 | C39 | H66 | 61.1° | 60.0° |
| C37 | C36 | C39 | H67 | 179.0° | 180.0° |
| C36 | C37 | N11 | C40 | 172.8° | 175.0° |
| C36 | C37 | N11 | H68 | 7.2° | 4.9° |
| C37 | C36 | N10 | C33 | 52.4° | 177.9° |
| C38 | C36 | C37 | O11 | 105.1° | 25.7° |
| C36 | C38 | H62 | H63 | 120.0° | 120.0° |
| C36 | C38 | H62 | H64 | 120.0° | 120.0° |
| C36 | C38 | H63 | H64 | 120.0° | 120.0° |
| C38 | C36 | C39 | H65 | 59.9° | 180.0° |
| C38 | C36 | C39 | H66 | 179.9° | 60.0° |
| C38 | C36 | C39 | H67 | 60.2° | 60.0° |
| C38 | C36 | N10 | C33 | 169.5° | 62.1° |
| C38 | C36 | C37 | N11 | 73.1° | 154.2° |
| C39 | C36 | C37 | O11 | 14.9° | 94.3° |
| C39 | C36 | C38 | H62 | 59.4° | 60.0° |
| C39 | C36 | C38 | H63 | 60.6° | 60.0° |
| C39 | C36 | C38 | H64 | 179.4° | 179.9° |
| C36 | C39 | H65 | H66 | 120.0° | 119.9° |
| C36 | C39 | H65 | H67 | 120.0° | 120.1° |
| C36 | C39 | H66 | H67 | 119.9° | 120.0° |
| C39 | C36 | N10 | C33 | 70.2° | 57.9° |
| C39 | C36 | C37 | N11 | 166.9° | 85.8° |
| O11 | C37 | N11 | C40 | 5.4° | 5.1° |
| O11 | C37 | N11 | H68 | 174.6° | 175.0° |
| H62 | C38 | H63 | H64 | 120.0° | 120.0° |
| H65 | C39 | H66 | H67 | 120.0° | 120.0° |
| C40 | N11 | H68 | C37 | 180.0° | 179.9° |
| N11 | C40 | C41 | C42 | 123.1° | 120.0° |
| N11 | C40 | C41 | H69 | 120.1° | 119.9° |
| N11 | C40 | C42 | H69 | 118.0° | 120.0° |
| N11 | C40 | C41 | O12 | 154.2° | 13.1° |
| N11 | C40 | C42 | H70 | 180.0° | 179.9° |
| N11 | C40 | C42 | H71 | 60.0° | 60.0° |
| N11 | C40 | C42 | H72 | 60.0° | 60.0° |
| N11 | C40 | C41 | N12 | 29.2° | 166.9° |
| H68 | N11 | C40 | C41 | 120.5° | 23.2° |
| H68 | N11 | C40 | C42 | 2.4° | 96.8° |
| H68 | N11 | C40 | H69 | 119.9° | 143.1° |
| C41 | C40 | C42 | H69 | 116.7° | 120.1° |
| C40 | C41 | O12 | N12 | 176.4° | 180.0° |
| C41 | C40 | C42 | H70 | 54.7° | 60.1° |
| C41 | C40 | C42 | H71 | 174.7° | 180.0° |
| C41 | C40 | C42 | H72 | 65.3° | 60.0° |
| C40 | C41 | N12 | C43 | 179.7° | 175.0° |
| C40 | C41 | N12 | H73 | 0.3° | 5.0° |
| C41 | C40 | N11 | C37 | 59.5° | 156.9° |
| C42 | C40 | C41 | O12 | 82.7° | 106.9° |
| C40 | C42 | H70 | H71 | 120.0° | 119.9° |
| C40 | C42 | H70 | H72 | 120.0° | 120.1° |
| C40 | C42 | H71 | H72 | 120.0° | 120.0° |
| C42 | C40 | N11 | C37 | 177.6° | 83.1° |
| C42 | C40 | C41 | N12 | 93.9° | 73.1° |
| H69 | C40 | C41 | O12 | 34.0° | 133.0° |
| H69 | C40 | C42 | H70 | 62.0° | 60.0° |
| H69 | C40 | C42 | H71 | 58.0° | 59.9° |
| H69 | C40 | C42 | H72 | 178.0° | 180.0° |
| H69 | C40 | N11 | C37 | 60.1° | 36.9° |
| H69 | C40 | C41 | N12 | 149.4° | 47.0° |
| O12 | C41 | N12 | C43 | 3.2° | 5.0° |
| O12 | C41 | N12 | H73 | 176.8° | 175.0° |
| H70 | C42 | H71 | H72 | 119.9° | 120.1° |
| C43 | N12 | H73 | C41 | 180.0° | 180.0° |
| N12 | C43 | C44 | C45 | 122.7° | 120.0° |
| N12 | C43 | C44 | H74 | 120.7° | 120.0° |
| N12 | C43 | C45 | H74 | 117.9° | 120.0° |
| N12 | C43 | C44 | O13 | 160.5° | 8.6° |
| N12 | C43 | C45 | H75 | 180.0° | 180.0° |
| N12 | C43 | C45 | H76 | 60.0° | 60.0° |
| N12 | C43 | C45 | H77 | 60.0° | 60.0° |
| N12 | C43 | C44 | N13 | 22.5° | 171.4° |
| H73 | N12 | C43 | C44 | 93.4° | 27.3° |
| H73 | N12 | C43 | C45 | 29.2° | 92.7° |
| H73 | N12 | C43 | H74 | 146.4° | 147.3° |
| C44 | C43 | C45 | H74 | 116.7° | 120.0° |
| C43 | C44 | O13 | N13 | 176.8° | 180.0° |
| C44 | C43 | C45 | H75 | 54.6° | 60.0° |
| C44 | C43 | C45 | H76 | 174.6° | 180.0° |
| C44 | C43 | C45 | H77 | 65.5° | 60.0° |
| C43 | C44 | N13 | C46 | 174.1° | 176.4° |
| C43 | C44 | N13 | H78 | 5.9° | 3.6° |
| C44 | C43 | N12 | C41 | 86.6° | 152.7° |
| C45 | C43 | C44 | O13 | 76.8° | 111.4° |
| C43 | C45 | H75 | H76 | 120.0° | 120.0° |
| C43 | C45 | H75 | H77 | 120.0° | 120.0° |
| C43 | C45 | H76 | H77 | 120.0° | 120.0° |
| C45 | C43 | C44 | N13 | 100.1° | 68.6° |
| C45 | C43 | N12 | C41 | 150.8° | 87.4° |
| H74 | C43 | C44 | O13 | 39.8° | 128.6° |
| H74 | C43 | C45 | H75 | 62.1° | 60.0° |
| H74 | C43 | C45 | H76 | 57.9° | 60.0° |
| H74 | C43 | C45 | H77 | 177.8° | 180.0° |
| H74 | C43 | C44 | N13 | 143.2° | 51.4° |
| H74 | C43 | N12 | C41 | 33.6° | 32.7° |
| O13 | C44 | N13 | C46 | 2.8° | 3.6° |
| O13 | C44 | N13 | H78 | 177.2° | 176.4° |
| H75 | C45 | H76 | H77 | 120.0° | 120.0° |
| C46 | N13 | H78 | C44 | 180.0° | 180.0° |
| N13 | C46 | C47 | C48 | 120.3° | 120.0° |
| N13 | C46 | C47 | C49 | 122.4° | 120.1° |
| N13 | C46 | C48 | C49 | 118.8° | 120.0° |
| N13 | C46 | C47 | O14 | 145.9° | 140.5° |
| N13 | C46 | C48 | H79 | 180.0° | 60.0° |
| N13 | C46 | C48 | H80 | 60.0° | 180.0° |
| N13 | C46 | C48 | H81 | 60.0° | 60.0° |
| N13 | C46 | C49 | H82 | 180.0° | 60.0° |
| N13 | C46 | C49 | H83 | 60.0° | 180.0° |
| N13 | C46 | C49 | H84 | 60.0° | 60.0° |
| N13 | C46 | C47 | N14 | 36.9° | 39.4° |
| H78 | N13 | C46 | C47 | 129.9° | 119.6° |
| H78 | N13 | C46 | C48 | 10.5° | 0.4° |
| H78 | N13 | C46 | C49 | 107.3° | 120.4° |
| C47 | C46 | C48 | C49 | 118.8° | 120.0° |
| C46 | C47 | O14 | N14 | 177.2° | 180.0° |
| C47 | C46 | C48 | H79 | 57.6° | 180.0° |
| C47 | C46 | C48 | H80 | 177.6° | 60.0° |
| C47 | C46 | C48 | H81 | 62.4° | 60.0° |
| C47 | C46 | C49 | H82 | 55.9° | 60.1° |
| C47 | C46 | C49 | H83 | 64.2° | 60.0° |
| C47 | C46 | C49 | H84 | 175.8° | 180.0° |
| C46 | C47 | N14 | C50 | 179.6° | 175.3° |
| C46 | C47 | N14 | C54 | 5.7° | 5.0° |
| C47 | C46 | N13 | C44 | 50.1° | 60.4° |
| C48 | C46 | C47 | O14 | 93.8° | 99.5° |
| C46 | C48 | H79 | H80 | 120.0° | 120.0° |
| C46 | C48 | H79 | H81 | 120.0° | 120.0° |
| C46 | C48 | H80 | H81 | 120.0° | 120.0° |
| C48 | C46 | C49 | H82 | 61.4° | 180.0° |
| C48 | C46 | C49 | H83 | 178.5° | 60.0° |
| C48 | C46 | C49 | H84 | 58.6° | 60.0° |
| C48 | C46 | N13 | C44 | 169.5° | 179.7° |
| C48 | C46 | C47 | N14 | 83.4° | 80.5° |
| C49 | C46 | C47 | O14 | 23.5° | 20.5° |
| C49 | C46 | C48 | H79 | 61.2° | 60.0° |
| C49 | C46 | C48 | H80 | 58.8° | 60.0° |
| C49 | C46 | C48 | H81 | 178.8° | 180.0° |
| C46 | C49 | H82 | H83 | 120.0° | 120.0° |
| C46 | C49 | H82 | H84 | 120.0° | 119.9° |
| C46 | C49 | H83 | H84 | 120.0° | 120.0° |
| C49 | C46 | N13 | C44 | 72.7° | 59.7° |
| C49 | C46 | C47 | N14 | 159.3° | 159.5° |
| O14 | C47 | N14 | C50 | 2.4° | 4.7° |
| O14 | C47 | N14 | C54 | 171.4° | 175.0° |
| H79 | C48 | H80 | H81 | 119.9° | 120.0° |
| H82 | C49 | H83 | H84 | 120.0° | 120.1° |
| C50 | N14 | C54 | C47 | 174.2° | 179.7° |
| N14 | C50 | C51 | C52 | 118.8° | 117.8° |
| N14 | C50 | C51 | H85 | 122.6° | 121.1° |
| N14 | C50 | C52 | H85 | 115.7° | 119.5° |
| N14 | C50 | C51 | O15 | 159.4° | 10.6° |
| N14 | C50 | C52 | C53 | 27.3° | 22.2° |
| N14 | C50 | C52 | H86 | 91.8° | 140.6° |
| N14 | C50 | C52 | H87 | 146.4° | 96.2° |
| C50 | N14 | C54 | C53 | 20.1° | 24.4° |
| C50 | N14 | C54 | H90 | 138.9° | 94.5° |
| C50 | N14 | C54 | H91 | 98.8° | 143.2° |
| N14 | C50 | C51 | N15 | 23.0° | 169.4° |
| C54 | N14 | C50 | C51 | 127.0° | 120.7° |
| C54 | N14 | C50 | C52 | 4.3° | 1.3° |
| C54 | N14 | C50 | H85 | 110.8° | 118.3° |
| N14 | C54 | C53 | C52 | 36.1° | 37.3° |
| N14 | C54 | C53 | H90 | 118.8° | 118.8° |
| N14 | C54 | C53 | H91 | 118.8° | 118.7° |
| N14 | C54 | C53 | H88 | 155.0° | 80.8° |
| N14 | C54 | C53 | H89 | 82.8° | 155.3° |
| N14 | C54 | H90 | H91 | 123.4° | 122.3° |
| C51 | C50 | C52 | H85 | 118.6° | 121.1° |
| C50 | C51 | O15 | N15 | 177.5° | 179.9° |
| C51 | C50 | C52 | C53 | 153.0° | 97.2° |
| C51 | C50 | C52 | H86 | 33.9° | 21.1° |
| C51 | C50 | C52 | H87 | 87.9° | 144.4° |
| C50 | C51 | N15 | C55 | 175.4° | 175.0° |
| C50 | C51 | N15 | H92 | 4.6° | 5.0° |
| C51 | C50 | N14 | C47 | 58.0° | 59.6° |
| C52 | C50 | C51 | O15 | 81.8° | 107.2° |
| C50 | C52 | C53 | H86 | 119.1° | 118.4° |
| C50 | C52 | C53 | H87 | 119.1° | 118.4° |
| C50 | C52 | H86 | H87 | 122.6° | 123.3° |
| C50 | C52 | C53 | C54 | 39.6° | 35.7° |
| C50 | C52 | C53 | H88 | 158.5° | 82.6° |
| C50 | C52 | C53 | H89 | 79.2° | 153.6° |
| C52 | C50 | N14 | C47 | 179.3° | 179.0° |
| C52 | C50 | C51 | N15 | 95.8° | 72.8° |
| H85 | C50 | C51 | O15 | 36.8° | 131.6° |
| H85 | C50 | C52 | C53 | 88.4° | 141.7° |
| H85 | C50 | C52 | H86 | 152.5° | 99.9° |
| H85 | C50 | C52 | H87 | 30.7° | 23.3° |
| H85 | C50 | N14 | C47 | 64.2° | 61.5° |
| H85 | C50 | C51 | N15 | 145.6° | 48.3° |
| O15 | C51 | N15 | C55 | 7.1° | 5.0° |
| O15 | C51 | N15 | H92 | 172.9° | 174.9° |
| C53 | C52 | H86 | H87 | 122.6° | 123.2° |
| C52 | C53 | C54 | H88 | 118.9° | 118.1° |
| C52 | C53 | C54 | H89 | 118.9° | 118.0° |
| C52 | C53 | H88 | H89 | 123.2° | 123.9° |
| C52 | C53 | C54 | H90 | 154.9° | 81.5° |
| C52 | C53 | C54 | H91 | 82.7° | 156.0° |
| H86 | C52 | C53 | C54 | 79.4° | 154.1° |
| H86 | C52 | C53 | H88 | 39.4° | 35.8° |
| H86 | C52 | C53 | H89 | 161.7° | 88.0° |
| H87 | C52 | C53 | C54 | 158.7° | 82.7° |
| H87 | C52 | C53 | H88 | 82.4° | 159.0° |
| H87 | C52 | C53 | H89 | 39.9° | 35.2° |
| C54 | C53 | H88 | H89 | 123.2° | 123.9° |
| C53 | C54 | H90 | H91 | 123.4° | 122.3° |
| C53 | C54 | N14 | C47 | 154.1° | 155.8° |
| H88 | C53 | C54 | H90 | 86.2° | 160.4° |
| H88 | C53 | C54 | H91 | 36.2° | 38.0° |
| H89 | C53 | C54 | H90 | 36.0° | 36.5° |
| H89 | C53 | C54 | H91 | 158.4° | 86.0° |
| H90 | C54 | N14 | C47 | 35.3° | 85.3° |
| H91 | C54 | N14 | C47 | 87.1° | 37.1° |
| C55 | N15 | H92 | C51 | 180.0° | 180.0° |
| N15 | C55 | C56 | C57 | 123.1° | 119.9° |
| N15 | C55 | C56 | H93 | 118.3° | 120.1° |
| N15 | C55 | C57 | H93 | 118.5° | 120.1° |
| N15 | C55 | C56 | O16 | 127.7° | 13.4° |
| N15 | C55 | C57 | C58 | 171.0° | 66.0° |
| N15 | C55 | C57 | H94 | 68.3° | 54.0° |
| N15 | C55 | C57 | H95 | 50.3° | 174.0° |
| N15 | C55 | C56 | N16 | 54.3° | 166.5° |
| H92 | N15 | C55 | C56 | 115.4° | 92.6° |
| H92 | N15 | C55 | C57 | 8.6° | 27.3° |
| H92 | N15 | C55 | H93 | 126.7° | 147.3° |
| C56 | C55 | C57 | H93 | 118.5° | 120.0° |
| C55 | C56 | O16 | N16 | 177.9° | 179.9° |
| C56 | C55 | C57 | C58 | 48.0° | 174.1° |
| C56 | C55 | C57 | H94 | 168.7° | 65.9° |
| C56 | C55 | C57 | H95 | 72.7° | 54.1° |
| C55 | C56 | N16 | C61 | 179.4° | 175.7° |
| C55 | C56 | N16 | H103 | 0.6° | 4.4° |
| C56 | C55 | N15 | C51 | 64.6° | 87.4° |
| C57 | C55 | C56 | O16 | 109.2° | 106.5° |
| C55 | C57 | C58 | H94 | 120.7° | 120.0° |
| C55 | C57 | C58 | H95 | 120.7° | 120.0° |
| C55 | C57 | H94 | H95 | 117.9° | 119.9° |
| C55 | C57 | C58 | C59 | 56.4° | 68.2° |
| C55 | C57 | C58 | C60 | 179.8° | 171.8° |
| C55 | C57 | C58 | H96 | 63.0° | 51.9° |
| C57 | C55 | C56 | N16 | 68.8° | 73.5° |
| C57 | C55 | N15 | C51 | 171.4° | 152.6° |
| H93 | C55 | C56 | O16 | 9.4° | 133.5° |
| H93 | C55 | C57 | C58 | 70.5° | 54.1° |
| H93 | C55 | C57 | H94 | 50.2° | 174.1° |
| H93 | C55 | C57 | H95 | 168.8° | 65.9° |
| H93 | C55 | C56 | N16 | 172.6° | 46.4° |
| H93 | C55 | N15 | C51 | 53.3° | 32.6° |
| O16 | C56 | N16 | C61 | 1.4° | 4.3° |
| O16 | C56 | N16 | H103 | 178.6° | 175.6° |
| C58 | C57 | H94 | H95 | 117.8° | 120.1° |
| C57 | C58 | C59 | C60 | 122.4° | 120.0° |
| C57 | C58 | C59 | H96 | 119.2° | 120.1° |
| C57 | C58 | C60 | H96 | 117.2° | 120.0° |
| C57 | C58 | C59 | H97 | 180.0° | 48.2° |
| C57 | C58 | C59 | H98 | 60.0° | 168.3° |
| C57 | C58 | C59 | H99 | 60.0° | 71.8° |
| C57 | C58 | C60 | H100 | 180.0° | 60.0° |
| C57 | C58 | C60 | H101 | 60.0° | 180.0° |
| C57 | C58 | C60 | H102 | 60.0° | 60.0° |
| H94 | C57 | C58 | C59 | 64.3° | 51.8° |
| H94 | C57 | C58 | C60 | 59.1° | 68.2° |
| H94 | C57 | C58 | H96 | 176.3° | 171.9° |
| H95 | C57 | C58 | C59 | 177.0° | 171.9° |
| H95 | C57 | C58 | C60 | 59.5° | 51.9° |
| H95 | C57 | C58 | H96 | 57.7° | 68.1° |
| C59 | C58 | C60 | H96 | 118.5° | 120.0° |
| C58 | C59 | H97 | H98 | 120.0° | 120.0° |
| C58 | C59 | H97 | H99 | 120.0° | 120.0° |
| C58 | C59 | H98 | H99 | 120.0° | 120.0° |
| C59 | C58 | C60 | H100 | 55.6° | 180.0° |
| C59 | C58 | C60 | H101 | 64.4° | 60.0° |
| C59 | C58 | C60 | H102 | 175.7° | 60.0° |
| C60 | C58 | C59 | H97 | 57.6° | 71.8° |
| C60 | C58 | C59 | H98 | 177.6° | 48.3° |
| C60 | C58 | C59 | H99 | 62.4° | 168.2° |
| C58 | C60 | H100 | H101 | 120.0° | 120.0° |
| C58 | C60 | H100 | H102 | 120.0° | 120.0° |
| C58 | C60 | H101 | H102 | 120.0° | 120.0° |
| H96 | C58 | C59 | H97 | 60.7° | 168.3° |
| H96 | C58 | C59 | H98 | 59.2° | 71.6° |
| H96 | C58 | C59 | H99 | 179.2° | 48.3° |
| H96 | C58 | C60 | H100 | 62.8° | 60.0° |
| H96 | C58 | C60 | H101 | 177.2° | 60.0° |
| H96 | C58 | C60 | H102 | 57.2° | 180.0° |
| H97 | C59 | H98 | H99 | 120.0° | 120.0° |
| H100 | C60 | H101 | H102 | 120.0° | 119.9° |
| C61 | N16 | H103 | C56 | 180.0° | 179.9° |
| N16 | C61 | C62 | C63 | 116.0° | 120.0° |
| N16 | C61 | C62 | C64 | 122.7° | 120.0° |
| N16 | C61 | C63 | C64 | 119.9° | 120.0° |
| N16 | C61 | C62 | O17 | 140.2° | 142.5° |
| N16 | C61 | C63 | H104 | 180.0° | 60.0° |
| N16 | C61 | C63 | H105 | 60.0° | 180.0° |
| N16 | C61 | C63 | H106 | 60.0° | 60.0° |
| N16 | C61 | C64 | H107 | 180.0° | 60.0° |
| N16 | C61 | C64 | H108 | 60.0° | 180.0° |
| N16 | C61 | C64 | H109 | 60.0° | 60.0° |
| N16 | C61 | C62 | N17 | 41.4° | 37.5° |
| H103 | N16 | C61 | C62 | 125.2° | 3.4° |
| H103 | N16 | C61 | C63 | 8.6° | 123.4° |
| H103 | N16 | C61 | C64 | 111.2° | 116.6° |
| C62 | C61 | C63 | C64 | 122.4° | 120.0° |
| C61 | C62 | O17 | N17 | 178.3° | 179.9° |
| C62 | C61 | C63 | H104 | 62.3° | 180.0° |
| C62 | C61 | C63 | H105 | 177.7° | 60.0° |
| C62 | C61 | C63 | H106 | 57.8° | 60.0° |
| C62 | C61 | C64 | H107 | 57.7° | 59.9° |
| C62 | C61 | C64 | H108 | 62.3° | 60.0° |
| C62 | C61 | C64 | H109 | 177.7° | 180.0° |
| C61 | C62 | N17 | C65 | 174.1° | 175.9° |
| C61 | C62 | N17 | H110 | 5.9° | 4.0° |
| C62 | C61 | N16 | C56 | 54.8° | 176.7° |
| C63 | C61 | C62 | O17 | 103.8° | 22.5° |
| C61 | C63 | H104 | H105 | 120.0° | 120.0° |
| C61 | C63 | H104 | H106 | 120.0° | 119.9° |
| C61 | C63 | H105 | H106 | 119.9° | 120.0° |
| C63 | C61 | C64 | H107 | 62.2° | 180.0° |
| C63 | C61 | C64 | H108 | 177.8° | 60.0° |
| C63 | C61 | C64 | H109 | 57.8° | 60.0° |
| C63 | C61 | N16 | C56 | 171.4° | 56.7° |
| C63 | C61 | C62 | N17 | 74.6° | 157.5° |
| C64 | C61 | C62 | O17 | 17.5° | 97.6° |
| C64 | C61 | C63 | H104 | 60.1° | 60.0° |
| C64 | C61 | C63 | H105 | 59.9° | 60.0° |
| C64 | C61 | C63 | H106 | 179.9° | 179.9° |
| C61 | C64 | H107 | H108 | 120.0° | 119.9° |
| C61 | C64 | H107 | H109 | 120.0° | 120.1° |
| C61 | C64 | H108 | H109 | 120.0° | 120.0° |
| C64 | C61 | N16 | C56 | 68.8° | 63.3° |
| C64 | C61 | C62 | N17 | 164.1° | 82.5° |
| O17 | C62 | N17 | C65 | 4.4° | 4.2° |
| O17 | C62 | N17 | H110 | 175.6° | 175.9° |
| H104 | C63 | H105 | H106 | 120.0° | 120.0° |
| H107 | C64 | H108 | H109 | 120.0° | 120.0° |
| C65 | N17 | H110 | C62 | 180.0° | 179.9° |
| N17 | C65 | C66 | C67 | 117.2° | 120.0° |
| N17 | C65 | C66 | C68 | 122.1° | 120.0° |
| N17 | C65 | C67 | C68 | 120.8° | 120.0° |
| N17 | C65 | C66 | O18 | 149.8° | 142.7° |
| N17 | C65 | C67 | H111 | 180.0° | 60.0° |
| N17 | C65 | C67 | H112 | 60.0° | 179.9° |
| N17 | C65 | C67 | H113 | 60.0° | 60.0° |
| N17 | C65 | C68 | H114 | 180.0° | 60.0° |
| N17 | C65 | C68 | H115 | 60.0° | 180.0° |
| N17 | C65 | C68 | H116 | 60.0° | 60.0° |
| N17 | C65 | C66 | N18 | 32.4° | 37.3° |
| H110 | N17 | C65 | C66 | 122.8° | 4.0° |
| H110 | N17 | C65 | C67 | 6.5° | 116.0° |
| H110 | N17 | C65 | C68 | 114.9° | 124.0° |
| C66 | C65 | C67 | C68 | 120.3° | 120.0° |
| C65 | C66 | O18 | N18 | 177.6° | 180.0° |
| C66 | C65 | C67 | H111 | 61.1° | 180.0° |
| C66 | C65 | C67 | H112 | 178.8° | 60.0° |
| C66 | C65 | C67 | H113 | 58.9° | 60.0° |
| C66 | C65 | C68 | H114 | 57.6° | 60.0° |
| C66 | C65 | C68 | H115 | 62.4° | 60.0° |
| C66 | C65 | C68 | H116 | 177.6° | 180.0° |
| C65 | C66 | N18 | C69 | 174.4° | 175.1° |
| C65 | C66 | N18 | H117 | 5.6° | 4.8° |
| C66 | C65 | N17 | C62 | 57.2° | 175.9° |
| C67 | C65 | C66 | O18 | 92.9° | 22.7° |
| C65 | C67 | H111 | H112 | 120.0° | 120.1° |
| C65 | C67 | H111 | H113 | 120.0° | 120.0° |
| C65 | C67 | H112 | H113 | 120.0° | 119.9° |
| C67 | C65 | C68 | H114 | 60.4° | 180.0° |
| C67 | C65 | C68 | H115 | 179.6° | 60.0° |
| C67 | C65 | C68 | H116 | 59.6° | 60.0° |
| C67 | C65 | N17 | C62 | 173.5° | 64.1° |
| C67 | C65 | C66 | N18 | 84.8° | 157.3° |
| C68 | C65 | C66 | O18 | 27.7° | 97.3° |
| C68 | C65 | C67 | H111 | 59.2° | 60.0° |
| C68 | C65 | C67 | H112 | 60.8° | 60.0° |
| C68 | C65 | C67 | H113 | 179.2° | 180.0° |
| C65 | C68 | H114 | H115 | 120.0° | 120.0° |
| C65 | C68 | H114 | H116 | 120.0° | 120.0° |
| C65 | C68 | H115 | H116 | 120.0° | 120.0° |
| C68 | C65 | N17 | C62 | 65.1° | 55.9° |
| C68 | C65 | C66 | N18 | 154.6° | 82.7° |
| O18 | C66 | N18 | C69 | 3.3° | 4.9° |
| O18 | C66 | N18 | H117 | 176.7° | 175.2° |
| H111 | C67 | H112 | H113 | 120.0° | 120.0° |
| H114 | C68 | H115 | H116 | 120.0° | 120.0° |
| C69 | N18 | H117 | C66 | 180.0° | 179.9° |
| N18 | C69 | C70 | C71 | 124.4° | 120.0° |
| N18 | C69 | C70 | H118 | 118.6° | 120.0° |
| N18 | C69 | C71 | H118 | 116.3° | 120.1° |
| N18 | C69 | C70 | O19 | 179.4° | 8.7° |
| N18 | C69 | C71 | C72 | 71.2° | 67.0° |
| N18 | C69 | C71 | H119 | 49.1° | 53.0° |
| N18 | C69 | C71 | H120 | 168.4° | 173.0° |
| N18 | C69 | C70 | N20 | 0.9° | 171.2° |
| H117 | N18 | C69 | C70 | 100.2° | 37.8° |
| H117 | N18 | C69 | C71 | 25.9° | 82.2° |
| H117 | N18 | C69 | H118 | 141.7° | 157.8° |
| C70 | C69 | C71 | H118 | 117.0° | 120.0° |
| C69 | C70 | O19 | N20 | 178.5° | 179.9° |
| C70 | C69 | C71 | C72 | 162.1° | 173.0° |
| C70 | C69 | C71 | H119 | 77.6° | 67.0° |
| C70 | C69 | C71 | H120 | 41.8° | 53.0° |
| C69 | C70 | N20 | C74 | 166.2° | 175.0° |
| C69 | C70 | N20 | H125 | 13.8° | 5.0° |
| C70 | C69 | N18 | C66 | 79.8° | 142.2° |
| C71 | C69 | C70 | O19 | 56.2° | 111.3° |
| C69 | C71 | C72 | H119 | 120.3° | 120.0° |
| C69 | C71 | C72 | H120 | 120.3° | 120.0° |
| C69 | C71 | H119 | H120 | 119.1° | 120.0° |
| C69 | C71 | C72 | C73 | 174.9° | 175.1° |
| C69 | C71 | C72 | H121 | 65.0° | 55.1° |
| C69 | C71 | C72 | H122 | 54.8° | 64.9° |
| C71 | C69 | N18 | C66 | 154.1° | 97.9° |
| C71 | C69 | C70 | N20 | 125.3° | 68.8° |
| H118 | C69 | C70 | O19 | 60.8° | 128.8° |
| H118 | C69 | C71 | C72 | 45.1° | 53.0° |
| H118 | C69 | C71 | H119 | 165.4° | 173.0° |
| H118 | C69 | C71 | H120 | 75.2° | 67.0° |
| H118 | C69 | N18 | C66 | 38.3° | 22.2° |
| H118 | C69 | C70 | N20 | 117.7° | 51.2° |
| O19 | C70 | N20 | C74 | 12.3° | 4.9° |
| O19 | C70 | N20 | H125 | 167.7° | 175.0° |
| C72 | C71 | H119 | H120 | 119.1° | 120.0° |
| C71 | C72 | C73 | H121 | 120.1° | 120.0° |
| C71 | C72 | C73 | H122 | 120.1° | 120.0° |
| C71 | C72 | H121 | H122 | 119.6° | 120.0° |
| C71 | C72 | C73 | O20 | 99.3° | 5.3° |
| C71 | C72 | C73 | N19 | 78.7° | 174.8° |
| H119 | C71 | C72 | C73 | 54.6° | 64.9° |
| H119 | C71 | C72 | H121 | 174.7° | 175.2° |
| H119 | C71 | C72 | H122 | 65.5° | 55.2° |
| H120 | C71 | C72 | C73 | 64.8° | 55.1° |
| H120 | C71 | C72 | H121 | 55.3° | 64.9° |
| H120 | C71 | C72 | H122 | 175.1° | 175.1° |
| C73 | C72 | H121 | H122 | 119.6° | 120.0° |
| C72 | C73 | O20 | N19 | 178.0° | 179.9° |
| C72 | C73 | N19 | H123 | 178.0° | 0.0° |
| C72 | C73 | N19 | H124 | 2.0° | 180.0° |
| H121 | C72 | C73 | O20 | 140.6° | 114.7° |
| H121 | C72 | C73 | N19 | 41.4° | 65.2° |
| H122 | C72 | C73 | O20 | 20.8° | 125.3° |
| H122 | C72 | C73 | N19 | 161.1° | 54.8° |
| O20 | C73 | N19 | H123 | 0.0° | 180.0° |
| O20 | C73 | N19 | H124 | 180.0° | 0.1° |
| C73 | N19 | H123 | H124 | 180.0° | 180.0° |
| C74 | N20 | H125 | C70 | 180.0° | 180.0° |
| N20 | C74 | C75 | C78 | 143.1° | 120.0° |
| N20 | C74 | C75 | H126 | 107.0° | 120.0° |
| N20 | C74 | C78 | H126 | 107.5° | 120.1° |
| N20 | C74 | C75 | C76 | 173.3° | 59.8° |
| N20 | C74 | C75 | C77 | 43.4° | 179.8° |
| N20 | C74 | C75 | H127 | 71.4° | 60.2° |
| N20 | C74 | C78 | O21 | 45.3° | 65.0° |
| N20 | C74 | C78 | H134 | 166.8° | 55.0° |
| N20 | C74 | C78 | H135 | 76.2° | 175.0° |
| H125 | N20 | C74 | C75 | 53.7° | 27.0° |
| H125 | N20 | C74 | C78 | 92.1° | 93.0° |
| H125 | N20 | C74 | H126 | 160.6° | 146.9° |
| C75 | C74 | C78 | H126 | 109.9° | 120.0° |
| C74 | C75 | C76 | C77 | 132.7° | 120.0° |
| C74 | C75 | C76 | H127 | 115.7° | 120.0° |
| C74 | C75 | C77 | H127 | 115.2° | 120.0° |
| C74 | C75 | C76 | H128 | 180.0° | 167.2° |
| C74 | C75 | C76 | H129 | 60.0° | 47.2° |
| C74 | C75 | C76 | H130 | 60.0° | 72.7° |
| C74 | C75 | C77 | H131 | 180.0° | 60.0° |
| C74 | C75 | C77 | H132 | 60.0° | 180.0° |
| C74 | C75 | C77 | H133 | 60.0° | 60.0° |
| C75 | C74 | C78 | O21 | 172.0° | 55.0° |
| C75 | C74 | C78 | H134 | 50.6° | 175.0° |
| C75 | C74 | C78 | H135 | 66.5° | 65.1° |
| C75 | C74 | N20 | C70 | 126.3° | 153.1° |
| C78 | C74 | C75 | C76 | 43.5° | 60.2° |
| C78 | C74 | C75 | C77 | 173.5° | 59.8° |
| C78 | C74 | C75 | H127 | 71.7° | 179.8° |
| C74 | C78 | O21 | H134 | 121.5° | 120.0° |
| C74 | C78 | O21 | H135 | 121.5° | 120.0° |
| C74 | C78 | H134 | H135 | 115.3° | 120.0° |
| C74 | C78 | O21 | H136 | 180.0° | 175.1° |
| C78 | C74 | N20 | C70 | 87.8° | 86.9° |
| H126 | C74 | C75 | C76 | 66.3° | 179.8° |
| H126 | C74 | C75 | C77 | 63.6° | 60.2° |
| H126 | C74 | C75 | H127 | 178.4° | 59.8° |
| H126 | C74 | C78 | O21 | 62.1° | 174.9° |
| H126 | C74 | C78 | H134 | 59.3° | 65.1° |
| H126 | C74 | C78 | H135 | 176.4° | 54.9° |
| H126 | C74 | N20 | C70 | 19.4° | 33.2° |
| C76 | C75 | C77 | H127 | 111.6° | 120.0° |
| C75 | C76 | H128 | H129 | 120.0° | 120.0° |
| C75 | C76 | H128 | H130 | 120.0° | 120.0° |
| C75 | C76 | H129 | H130 | 120.0° | 120.0° |
| C76 | C75 | C77 | H131 | 46.8° | 180.0° |
| C76 | C75 | C77 | H132 | 73.2° | 60.0° |
| C76 | C75 | C77 | H133 | 166.8° | 60.0° |
| C77 | C75 | C76 | H128 | 47.3° | 72.8° |
| C77 | C75 | C76 | H129 | 167.3° | 167.2° |
| C77 | C75 | C76 | H130 | 72.7° | 47.2° |
| C75 | C77 | H131 | H132 | 120.0° | 120.0° |
| C75 | C77 | H131 | H133 | 120.0° | 120.0° |
| C75 | C77 | H132 | H133 | 120.0° | 120.0° |
| H127 | C75 | C76 | H128 | 64.3° | 47.2° |
| H127 | C75 | C76 | H129 | 55.7° | 72.8° |
| H127 | C75 | C76 | H130 | 175.7° | 167.2° |
| H127 | C75 | C77 | H131 | 64.8° | 60.0° |
| H127 | C75 | C77 | H132 | 175.2° | 60.0° |
| H127 | C75 | C77 | H133 | 55.2° | 180.0° |
| H128 | C76 | H129 | H130 | 120.0° | 120.0° |
| H131 | C77 | H132 | H133 | 120.0° | 119.9° |
| O21 | C78 | H134 | H135 | 115.3° | 120.0° |
| H134 | C78 | O21 | H136 | 58.5° | 64.9° |
| H135 | C78 | O21 | H136 | 58.5° | 55.1° |
