PRD_001063
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.48Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | O2 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O2 | H4 | sing | 0.97Å | 0.95Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | C5 | sing | 1.48Å | 1.45Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C5 | C7 | sing | 1.53Å | 1.53Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | O3 | doub | 1.21Å | 1.23Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | doub | 1.34Å | 1.34Å | Aromatic |
| C8 | C10 | sing | 1.46Å | 1.44Å | Aromatic |
| C9 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | doub | 1.41Å | 1.38Å | Aromatic |
| C10 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| N3 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C11 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C14 | doub | 1.37Å | 1.40Å | Aromatic |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| N4 | C16 | sing | 1.48Å | 1.45Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | O4 | doub | 1.21Å | 1.23Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| N5 | C22 | sing | 1.47Å | 1.46Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.54Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | O5 | doub | 1.21Å | 1.23Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | N6 | sing | 1.47Å | 1.49Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| N6 | H35 | sing | 1.01Å | 1.00Å | |
| N6 | H36 | sing | 1.01Å | 1.00Å | |
| N7 | C26 | sing | 1.48Å | 1.46Å | |
| N7 | H37 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | C30 | sing | 1.51Å | 1.53Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | N8 | sing | 1.47Å | 1.48Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| N8 | H45 | sing | 1.01Å | 1.00Å | |
| N8 | H46 | sing | 1.01Å | 1.00Å | |
| C30 | O6 | doub | 1.22Å | 1.23Å | |
| N9 | C31 | sing | 1.48Å | 1.45Å | |
| N9 | H47 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | H48 | sing | 1.09Å | 1.10Å | |
| C32 | O7 | doub | 1.22Å | 1.23Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| C33 | H50 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | H51 | sing | 1.09Å | 1.10Å | |
| C34 | H52 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | H53 | sing | 1.09Å | 1.10Å | |
| C35 | H54 | sing | 1.09Å | 1.10Å | |
| C36 | N10 | sing | 1.47Å | 1.48Å | |
| C36 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| N10 | H57 | sing | 1.01Å | 1.00Å | |
| N10 | H58 | sing | 1.01Å | 1.00Å | |
| N11 | C37 | sing | 1.48Å | 1.45Å | |
| N11 | H59 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.51Å | 1.53Å | |
| C37 | C39 | sing | 1.53Å | 1.53Å | |
| C37 | H60 | sing | 1.09Å | 1.10Å | |
| C38 | O8 | doub | 1.21Å | 1.23Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C39 | H61 | sing | 1.09Å | 1.10Å | |
| C39 | H62 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C40 | H63 | sing | 1.09Å | 1.10Å | |
| C40 | H64 | sing | 1.09Å | 1.10Å | |
| C41 | N12 | sing | 1.46Å | 1.48Å | |
| C41 | H65 | sing | 1.09Å | 1.10Å | |
| C41 | H66 | sing | 1.09Å | 1.10Å | |
| N12 | C42 | sing | 1.37Å | 1.34Å | |
| N12 | H67 | sing | 0.97Å | 1.00Å | |
| C42 | N13 | sing | 1.33Å | 1.34Å | |
| C42 | N14 | doub | 1.33Å | 1.34Å | |
| N13 | H68 | sing | 0.97Å | 1.00Å | |
| N13 | H69 | sing | 0.97Å | 1.00Å | |
| N14 | H70 | sing | 0.97Å | 1.00Å | |
| N14 | H71 | sing | 0.97Å | 1.00Å | |
| N15 | C43 | sing | 1.48Å | 1.45Å | |
| N15 | H72 | sing | 0.97Å | 1.00Å | |
| C43 | C44 | sing | 1.51Å | 1.53Å | |
| C43 | C45 | sing | 1.53Å | 1.53Å | |
| C43 | H73 | sing | 1.09Å | 1.10Å | |
| C44 | O9 | doub | 1.21Å | 1.23Å | |
| C45 | C46 | sing | 1.51Å | 1.53Å | |
| C45 | H74 | sing | 1.09Å | 1.10Å | |
| C45 | H75 | sing | 1.09Å | 1.10Å | |
| C46 | C47 | doub | 1.34Å | 1.34Å | Aromatic |
| C46 | C48 | sing | 1.46Å | 1.44Å | Aromatic |
| C47 | N16 | sing | 1.37Å | 1.38Å | Aromatic |
| C47 | H76 | sing | 1.08Å | 1.08Å | |
| C48 | C49 | doub | 1.41Å | 1.38Å | Aromatic |
| C48 | C50 | sing | 1.40Å | 1.41Å | Aromatic |
| N16 | C49 | sing | 1.38Å | 1.39Å | Aromatic |
| N16 | H77 | sing | 0.97Å | 1.00Å | |
| C49 | C51 | sing | 1.39Å | 1.40Å | Aromatic |
| C50 | C52 | doub | 1.37Å | 1.40Å | Aromatic |
| C50 | H78 | sing | 1.08Å | 1.08Å | |
| C51 | C53 | doub | 1.38Å | 1.40Å | Aromatic |
| C51 | H79 | sing | 1.08Å | 1.08Å | |
| C52 | C53 | sing | 1.39Å | 1.39Å | Aromatic |
| C52 | H80 | sing | 1.08Å | 1.08Å | |
| C53 | H81 | sing | 1.08Å | 1.08Å | |
| N17 | C54 | sing | 1.48Å | 1.46Å | |
| N17 | H82 | sing | 0.97Å | 1.00Å | |
| C54 | C55 | sing | 1.53Å | 1.54Å | |
| C54 | C58 | sing | 1.51Å | 1.53Å | |
| C54 | H83 | sing | 1.09Å | 1.10Å | |
| C55 | C56 | sing | 1.53Å | 1.53Å | |
| C55 | H84 | sing | 1.09Å | 1.10Å | |
| C55 | H85 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | sing | 1.53Å | 1.52Å | |
| C56 | H86 | sing | 1.09Å | 1.10Å | |
| C56 | H87 | sing | 1.09Å | 1.10Å | |
| C57 | N18 | sing | 1.47Å | 1.48Å | |
| C57 | H88 | sing | 1.09Å | 1.10Å | |
| C57 | H89 | sing | 1.09Å | 1.10Å | |
| N18 | H90 | sing | 1.01Å | 1.00Å | |
| N18 | H91 | sing | 1.01Å | 1.00Å | |
| C58 | O10 | doub | 1.21Å | 1.23Å | |
| N19 | C59 | sing | 1.48Å | 1.46Å | |
| N19 | H92 | sing | 0.97Å | 1.00Å | |
| C59 | C60 | sing | 1.51Å | 1.53Å | |
| C59 | C61 | sing | 1.53Å | 1.54Å | |
| C59 | H93 | sing | 1.09Å | 1.10Å | |
| C60 | O11 | doub | 1.21Å | 1.23Å | |
| C61 | C62 | sing | 1.53Å | 1.52Å | |
| C61 | H94 | sing | 1.09Å | 1.10Å | |
| C61 | H95 | sing | 1.09Å | 1.10Å | |
| C62 | N20 | sing | 1.47Å | 1.49Å | |
| C62 | H96 | sing | 1.09Å | 1.10Å | |
| C62 | H97 | sing | 1.09Å | 1.10Å | |
| N20 | H98 | sing | 1.01Å | 1.00Å | |
| N20 | H99 | sing | 1.01Å | 1.00Å | |
| N21 | C63 | sing | 1.48Å | 1.45Å | |
| N21 | H100 | sing | 0.97Å | 1.00Å | |
| C63 | C64 | sing | 1.51Å | 1.53Å | |
| C63 | C65 | sing | 1.53Å | 1.53Å | |
| C63 | H101 | sing | 1.09Å | 1.10Å | |
| C64 | O12 | doub | 1.21Å | 1.23Å | |
| C65 | H102 | sing | 1.09Å | 1.10Å | |
| C65 | H103 | sing | 1.09Å | 1.10Å | |
| C65 | H104 | sing | 1.09Å | 1.10Å | |
| N22 | C66 | sing | 1.48Å | 1.45Å | |
| N22 | H105 | sing | 0.97Å | 1.00Å | |
| C66 | C67 | sing | 1.51Å | 1.53Å | |
| C66 | C68 | sing | 1.53Å | 1.53Å | |
| C66 | H106 | sing | 1.08Å | 1.10Å | |
| C67 | O13 | doub | 1.22Å | 1.23Å | |
| C68 | C69 | sing | 1.53Å | 1.53Å | |
| C68 | H107 | sing | 1.09Å | 1.10Å | |
| C68 | H108 | sing | 1.09Å | 1.10Å | |
| C69 | C70 | sing | 1.53Å | 1.53Å | |
| C69 | H109 | sing | 1.09Å | 1.10Å | |
| C69 | H110 | sing | 1.09Å | 1.10Å | |
| C70 | C71 | sing | 1.53Å | 1.53Å | |
| C70 | H111 | sing | 1.09Å | 1.10Å | |
| C70 | H112 | sing | 1.09Å | 1.10Å | |
| C71 | N23 | sing | 1.47Å | 1.48Å | |
| C71 | H113 | sing | 1.09Å | 1.10Å | |
| C71 | H114 | sing | 1.09Å | 1.10Å | |
| N23 | H115 | sing | 1.01Å | 1.00Å | |
| N23 | H116 | sing | 1.01Å | 1.00Å | |
| N23 | H117 | sing | 1.01Å | 1.00Å | |
| N24 | C72 | sing | 1.47Å | 1.49Å | |
| N24 | C75 | sing | 1.47Å | 1.48Å | |
| C72 | C73 | sing | 1.54Å | 1.54Å | |
| C72 | C76 | sing | 1.51Å | 1.57Å | |
| C72 | H118 | sing | 1.09Å | 1.10Å | |
| C73 | C74 | sing | 1.54Å | 1.53Å | |
| C73 | H119 | sing | 1.09Å | 1.10Å | |
| C73 | H120 | sing | 1.09Å | 1.10Å | |
| C74 | C75 | sing | 1.54Å | 1.53Å | |
| C74 | H121 | sing | 1.09Å | 1.10Å | |
| C74 | H122 | sing | 1.09Å | 1.10Å | |
| C75 | H123 | sing | 1.09Å | 1.10Å | |
| C75 | H124 | sing | 1.08Å | 1.10Å | |
| C76 | O14 | doub | 1.22Å | 1.23Å | |
| N25 | C77 | sing | 1.47Å | 1.49Å | |
| N25 | C81 | sing | 1.47Å | 1.47Å | |
| C77 | C78 | sing | 1.51Å | 1.57Å | |
| C77 | C79 | sing | 1.54Å | 1.54Å | |
| C77 | H125 | sing | 1.08Å | 1.10Å | |
| C78 | O15 | doub | 1.21Å | 1.23Å | |
| C79 | C80 | sing | 1.54Å | 1.53Å | |
| C79 | H126 | sing | 1.09Å | 1.10Å | |
| C79 | H127 | sing | 1.09Å | 1.10Å | |
| C80 | C81 | sing | 1.54Å | 1.53Å | |
| C80 | H128 | sing | 1.09Å | 1.10Å | |
| C80 | H129 | sing | 1.09Å | 1.10Å | |
| C81 | H130 | sing | 1.09Å | 1.10Å | |
| C81 | H131 | sing | 1.09Å | 1.10Å | |
| N1 | C78 | sing | 1.36Å | 1.36Å | |
| C2 | N2 | sing | 1.36Å | 1.33Å | |
| C6 | N4 | sing | 1.36Å | 1.33Å | |
| C17 | N5 | sing | 1.36Å | 1.37Å | |
| C23 | N7 | sing | 1.36Å | 1.38Å | |
| C30 | N9 | sing | 1.36Å | 1.32Å | |
| C32 | N11 | sing | 1.36Å | 1.32Å | |
| C38 | N15 | sing | 1.36Å | 1.33Å | |
| C44 | N17 | sing | 1.36Å | 1.38Å | |
| C58 | N19 | sing | 1.36Å | 1.37Å | |
| C60 | N21 | sing | 1.36Å | 1.32Å | |
| C64 | N22 | sing | 1.36Å | 1.33Å | |
| C67 | N24 | sing | 1.34Å | 1.36Å | |
| C76 | N25 | sing | 1.34Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 118.7° | 121.7° |
| N1 | C1 | C2 | 110.4° | 109.5° |
| N1 | C1 | C3 | 108.0° | 109.4° |
| N1 | C1 | H2 | 109.0° | 110.1° |
| C1 | N1 | C78 | 122.6° | 116.9° |
| H1 | N1 | C78 | 118.7° | 121.4° |
| C2 | C1 | C3 | 113.4° | 109.0° |
| C2 | C1 | H2 | 108.0° | 109.3° |
| C1 | C2 | O1 | 120.5° | 120.6° |
| C1 | C2 | N2 | 115.0° | 118.0° |
| C3 | C1 | H2 | 108.0° | 109.6° |
| C1 | C3 | O2 | 104.1° | 109.5° |
| C1 | C3 | C4 | 112.5° | 109.4° |
| C1 | C3 | H3 | 111.3° | 109.4° |
| O1 | C2 | N2 | 124.5° | 121.4° |
| O2 | C3 | C4 | 104.1° | 109.5° |
| O2 | C3 | H3 | 113.1° | 109.5° |
| C3 | O2 | H4 | 109.5° | 114.1° |
| C4 | C3 | H3 | 111.4° | 109.5° |
| C3 | C4 | H5 | 109.5° | 109.5° |
| C3 | C4 | H6 | 109.4° | 109.4° |
| C3 | C4 | H7 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H5 | C4 | H7 | 109.4° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| C5 | N2 | H8 | 119.5° | 121.1° |
| N2 | C5 | C6 | 108.0° | 108.3° |
| N2 | C5 | C7 | 111.0° | 109.7° |
| N2 | C5 | H9 | 108.9° | 110.1° |
| C5 | N2 | C2 | 121.0° | 117.8° |
| H8 | N2 | C2 | 119.5° | 121.1° |
| C6 | C5 | C7 | 113.0° | 109.5° |
| C6 | C5 | H9 | 107.9° | 109.4° |
| C5 | C6 | O3 | 120.5° | 119.8° |
| C5 | C6 | N4 | 115.0° | 119.4° |
| C7 | C5 | H9 | 107.9° | 109.8° |
| C5 | C7 | C8 | 114.0° | 109.5° |
| C5 | C7 | H10 | 108.3° | 109.5° |
| C5 | C7 | H11 | 108.4° | 109.4° |
| O3 | C6 | N4 | 124.5° | 120.8° |
| C8 | C7 | H10 | 108.3° | 109.5° |
| C8 | C7 | H11 | 108.3° | 109.5° |
| C7 | C8 | C9 | 128.0° | 126.5° |
| C7 | C8 | C10 | 126.6° | 126.5° |
| H10 | C7 | H11 | 109.5° | 109.4° |
| C9 | C8 | C10 | 105.5° | 107.0° |
| C8 | C9 | N3 | 111.4° | 109.9° |
| C8 | C9 | H12 | 124.3° | 125.1° |
| C8 | C10 | C11 | 108.3° | 106.1° |
| C8 | C10 | C12 | 130.3° | 134.0° |
| N3 | C9 | H12 | 124.3° | 125.0° |
| C9 | N3 | C11 | 107.5° | 109.9° |
| C9 | N3 | H13 | 126.3° | 125.1° |
| C11 | C10 | C12 | 121.4° | 119.9° |
| C10 | C11 | N3 | 107.4° | 107.1° |
| C10 | C11 | C13 | 123.2° | 119.4° |
| C10 | C12 | C14 | 114.7° | 119.8° |
| C10 | C12 | H14 | 122.7° | 120.1° |
| C11 | N3 | H13 | 126.3° | 125.0° |
| N3 | C11 | C13 | 129.4° | 133.5° |
| C11 | C13 | C15 | 116.4° | 119.8° |
| C11 | C13 | H15 | 121.8° | 120.1° |
| C14 | C12 | H14 | 122.6° | 120.1° |
| C12 | C14 | C15 | 124.6° | 120.6° |
| C12 | C14 | H16 | 117.7° | 119.8° |
| C15 | C13 | H15 | 121.8° | 120.2° |
| C13 | C15 | C14 | 119.7° | 120.6° |
| C13 | C15 | H17 | 120.2° | 119.7° |
| C15 | C14 | H16 | 117.7° | 119.7° |
| C14 | C15 | H17 | 120.1° | 119.7° |
| C16 | N4 | H18 | 119.5° | 121.9° |
| N4 | C16 | C17 | 109.3° | 109.4° |
| N4 | C16 | C18 | 110.5° | 109.2° |
| N4 | C16 | H19 | 108.4° | 109.9° |
| C16 | N4 | C6 | 121.0° | 116.7° |
| H18 | N4 | C6 | 119.5° | 121.4° |
| C17 | C16 | C18 | 113.7° | 109.2° |
| C17 | C16 | H19 | 107.4° | 109.5° |
| C16 | C17 | O4 | 121.7° | 120.3° |
| C16 | C17 | N5 | 115.0° | 119.2° |
| C18 | C16 | H19 | 107.4° | 109.6° |
| C16 | C18 | C19 | 116.0° | 109.5° |
| C16 | C18 | H20 | 107.8° | 109.5° |
| C16 | C18 | H21 | 107.8° | 109.5° |
| O4 | C17 | N5 | 123.3° | 120.5° |
| C19 | C18 | H20 | 107.8° | 109.4° |
| C19 | C18 | H21 | 107.8° | 109.4° |
| C18 | C19 | C20 | 111.0° | 109.5° |
| C18 | C19 | C21 | 111.0° | 109.5° |
| C18 | C19 | H22 | 107.5° | 109.4° |
| H20 | C18 | H21 | 109.5° | 109.5° |
| C20 | C19 | C21 | 112.1° | 109.5° |
| C20 | C19 | H22 | 107.5° | 109.4° |
| C19 | C20 | H23 | 109.5° | 109.4° |
| C19 | C20 | H24 | 109.5° | 109.5° |
| C19 | C20 | H25 | 109.5° | 109.4° |
| C21 | C19 | H22 | 107.5° | 109.5° |
| C19 | C21 | H26 | 109.5° | 109.5° |
| C19 | C21 | H27 | 109.5° | 109.4° |
| C19 | C21 | H28 | 109.5° | 109.5° |
| H23 | C20 | H24 | 109.5° | 109.5° |
| H23 | C20 | H25 | 109.4° | 109.5° |
| H24 | C20 | H25 | 109.4° | 109.5° |
| H26 | C21 | H27 | 109.4° | 109.5° |
| H26 | C21 | H28 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| C22 | N5 | H29 | 118.4° | 121.0° |
| N5 | C22 | C23 | 106.0° | 109.0° |
| N5 | C22 | C24 | 112.4° | 109.7° |
| N5 | C22 | H30 | 110.5° | 110.2° |
| C22 | N5 | C17 | 123.2° | 117.6° |
| H29 | N5 | C17 | 118.4° | 121.4° |
| C23 | C22 | C24 | 108.9° | 109.3° |
| C23 | C22 | H30 | 109.5° | 109.2° |
| C22 | C23 | O5 | 117.2° | 120.3° |
| C22 | C23 | N7 | 118.9° | 118.6° |
| C24 | C22 | H30 | 109.5° | 109.6° |
| C22 | C24 | C25 | 112.8° | 109.5° |
| C22 | C24 | H31 | 108.7° | 109.4° |
| C22 | C24 | H32 | 108.6° | 109.5° |
| O5 | C23 | N7 | 123.8° | 121.2° |
| C25 | C24 | H31 | 108.6° | 109.5° |
| C25 | C24 | H32 | 108.6° | 109.5° |
| C24 | C25 | N6 | 109.1° | 109.4° |
| C24 | C25 | H33 | 109.6° | 109.4° |
| C24 | C25 | H34 | 109.5° | 109.5° |
| H31 | C24 | H32 | 109.5° | 109.5° |
| N6 | C25 | H33 | 109.6° | 109.5° |
| N6 | C25 | H34 | 109.6° | 109.5° |
| C25 | N6 | H35 | 109.5° | 111.0° |
| C25 | N6 | H36 | 109.4° | 111.0° |
| H33 | C25 | H34 | 109.5° | 109.5° |
| H35 | N6 | H36 | 109.5° | 111.0° |
| C26 | N7 | H37 | 118.9° | 121.6° |
| N7 | C26 | C27 | 110.4° | 108.8° |
| N7 | C26 | C30 | 106.4° | 108.6° |
| N7 | C26 | H38 | 110.4° | 109.7° |
| C26 | N7 | C23 | 122.3° | 117.0° |
| H37 | N7 | C23 | 118.9° | 121.4° |
| C27 | C26 | C30 | 110.8° | 110.2° |
| C27 | C26 | H38 | 109.3° | 109.7° |
| C26 | C27 | C28 | 113.3° | 109.4° |
| C26 | C27 | H39 | 108.5° | 109.4° |
| C26 | C27 | H40 | 108.5° | 109.4° |
| C30 | C26 | H38 | 109.4° | 109.8° |
| C26 | C30 | O6 | 121.0° | 118.8° |
| C26 | C30 | N9 | 114.5° | 121.0° |
| C28 | C27 | H39 | 108.5° | 109.5° |
| C28 | C27 | H40 | 108.5° | 109.5° |
| C27 | C28 | C29 | 110.8° | 109.4° |
| C27 | C28 | H41 | 109.1° | 109.5° |
| C27 | C28 | H42 | 109.1° | 109.5° |
| H39 | C27 | H40 | 109.5° | 109.5° |
| C29 | C28 | H41 | 109.1° | 109.4° |
| C29 | C28 | H42 | 109.1° | 109.4° |
| C28 | C29 | N8 | 109.3° | 109.5° |
| C28 | C29 | H43 | 109.5° | 109.4° |
| C28 | C29 | H44 | 109.5° | 109.4° |
| H41 | C28 | H42 | 109.5° | 109.5° |
| N8 | C29 | H43 | 109.5° | 109.5° |
| N8 | C29 | H44 | 109.5° | 109.5° |
| C29 | N8 | H45 | 109.5° | 111.0° |
| C29 | N8 | H46 | 109.5° | 111.0° |
| H43 | C29 | H44 | 109.5° | 109.5° |
| H45 | N8 | H46 | 109.5° | 111.1° |
| O6 | C30 | N9 | 124.5° | 120.2° |
| C31 | N9 | H47 | 119.5° | 119.5° |
| N9 | C31 | C32 | 109.3° | 108.2° |
| N9 | C31 | C33 | 110.5° | 109.2° |
| N9 | C31 | H48 | 108.4° | 110.0° |
| C31 | N9 | C30 | 121.0° | 118.1° |
| H47 | N9 | C30 | 119.5° | 122.4° |
| C32 | C31 | C33 | 113.7° | 109.6° |
| C32 | C31 | H48 | 107.4° | 109.8° |
| C31 | C32 | O7 | 120.5° | 119.2° |
| C31 | C32 | N11 | 114.9° | 120.3° |
| C33 | C31 | H48 | 107.4° | 110.0° |
| C31 | C33 | C34 | 111.0° | 109.4° |
| C31 | C33 | H49 | 109.1° | 109.5° |
| C31 | C33 | H50 | 109.1° | 109.4° |
| O7 | C32 | N11 | 124.6° | 120.5° |
| C34 | C33 | H49 | 109.1° | 109.5° |
| C34 | C33 | H50 | 109.1° | 109.5° |
| C33 | C34 | C35 | 111.0° | 109.4° |
| C33 | C34 | H51 | 109.1° | 109.5° |
| C33 | C34 | H52 | 109.1° | 109.5° |
| H49 | C33 | H50 | 109.5° | 109.5° |
| C35 | C34 | H51 | 109.1° | 109.5° |
| C35 | C34 | H52 | 109.1° | 109.5° |
| C34 | C35 | C36 | 111.0° | 109.4° |
| C34 | C35 | H53 | 109.1° | 109.5° |
| C34 | C35 | H54 | 109.1° | 109.5° |
| H51 | C34 | H52 | 109.5° | 109.5° |
| C36 | C35 | H53 | 109.1° | 109.5° |
| C36 | C35 | H54 | 109.1° | 109.5° |
| C35 | C36 | N10 | 110.5° | 109.4° |
| C35 | C36 | H55 | 109.2° | 109.5° |
| C35 | C36 | H56 | 109.2° | 109.4° |
| H53 | C35 | H54 | 109.5° | 109.5° |
| N10 | C36 | H55 | 109.2° | 109.5° |
| N10 | C36 | H56 | 109.2° | 109.5° |
| C36 | N10 | H57 | 109.5° | 111.0° |
| C36 | N10 | H58 | 109.4° | 111.0° |
| H55 | C36 | H56 | 109.4° | 109.5° |
| H57 | N10 | H58 | 109.5° | 111.0° |
| C37 | N11 | H59 | 119.5° | 119.9° |
| N11 | C37 | C38 | 110.3° | 108.1° |
| N11 | C37 | C39 | 111.1° | 109.5° |
| N11 | C37 | H60 | 109.4° | 110.3° |
| C37 | N11 | C32 | 120.9° | 117.6° |
| H59 | N11 | C32 | 119.5° | 122.5° |
| C38 | C37 | C39 | 109.2° | 109.0° |
| C38 | C37 | H60 | 108.4° | 109.9° |
| C37 | C38 | O8 | 120.5° | 120.0° |
| C37 | C38 | N15 | 115.0° | 119.5° |
| C39 | C37 | H60 | 108.4° | 110.0° |
| C37 | C39 | C40 | 111.0° | 109.5° |
| C37 | C39 | H61 | 109.1° | 109.5° |
| C37 | C39 | H62 | 109.1° | 109.5° |
| O8 | C38 | N15 | 124.5° | 120.4° |
| C40 | C39 | H61 | 109.1° | 109.5° |
| C40 | C39 | H62 | 109.1° | 109.5° |
| C39 | C40 | C41 | 111.0° | 109.4° |
| C39 | C40 | H63 | 109.1° | 109.4° |
| C39 | C40 | H64 | 109.1° | 109.5° |
| H61 | C39 | H62 | 109.5° | 109.5° |
| C41 | C40 | H63 | 109.1° | 109.5° |
| C41 | C40 | H64 | 109.1° | 109.5° |
| C40 | C41 | N12 | 109.9° | 109.4° |
| C40 | C41 | H65 | 109.3° | 109.4° |
| C40 | C41 | H66 | 109.3° | 109.4° |
| H63 | C40 | H64 | 109.4° | 109.5° |
| N12 | C41 | H65 | 109.4° | 109.5° |
| N12 | C41 | H66 | 109.4° | 109.5° |
| C41 | N12 | C42 | 124.1° | 120.0° |
| C41 | N12 | H67 | 117.9° | 120.0° |
| H65 | C41 | H66 | 109.5° | 109.5° |
| C42 | N12 | H67 | 118.0° | 120.0° |
| N12 | C42 | N13 | 119.9° | 120.0° |
| N12 | C42 | N14 | 120.0° | 120.0° |
| N13 | C42 | N14 | 120.1° | 120.0° |
| C42 | N13 | H68 | 120.0° | 120.0° |
| C42 | N13 | H69 | 120.0° | 120.0° |
| C42 | N14 | H70 | 120.0° | 120.0° |
| C42 | N14 | H71 | 120.0° | 120.0° |
| H68 | N13 | H69 | 120.0° | 120.0° |
| H70 | N14 | H71 | 119.9° | 120.0° |
| C43 | N15 | H72 | 119.5° | 121.0° |
| N15 | C43 | C44 | 108.0° | 108.5° |
| N15 | C43 | C45 | 111.0° | 109.6° |
| N15 | C43 | H73 | 108.9° | 109.9° |
| C43 | N15 | C38 | 121.0° | 117.0° |
| H72 | N15 | C38 | 119.5° | 122.0° |
| C44 | C43 | C45 | 113.0° | 109.6° |
| C44 | C43 | H73 | 107.9° | 109.4° |
| C43 | C44 | O9 | 121.2° | 120.2° |
| C43 | C44 | N17 | 115.0° | 118.4° |
| C45 | C43 | H73 | 107.9° | 109.8° |
| C43 | C45 | C46 | 114.0° | 109.5° |
| C43 | C45 | H74 | 108.3° | 109.5° |
| C43 | C45 | H75 | 108.3° | 109.5° |
| O9 | C44 | N17 | 123.8° | 121.3° |
| C46 | C45 | H74 | 108.4° | 109.4° |
| C46 | C45 | H75 | 108.3° | 109.5° |
| C45 | C46 | C47 | 128.1° | 126.5° |
| C45 | C46 | C48 | 126.5° | 126.5° |
| H74 | C45 | H75 | 109.5° | 109.5° |
| C47 | C46 | C48 | 105.4° | 107.0° |
| C46 | C47 | N16 | 111.5° | 109.9° |
| C46 | C47 | H76 | 124.3° | 125.0° |
| C46 | C48 | C49 | 108.3° | 106.1° |
| C46 | C48 | C50 | 130.3° | 134.0° |
| N16 | C47 | H76 | 124.2° | 125.0° |
| C47 | N16 | C49 | 107.4° | 109.9° |
| C47 | N16 | H77 | 126.3° | 125.0° |
| C49 | C48 | C50 | 121.4° | 120.0° |
| C48 | C49 | N16 | 107.4° | 107.2° |
| C48 | C49 | C51 | 123.2° | 119.4° |
| C48 | C50 | C52 | 114.7° | 119.7° |
| C48 | C50 | H78 | 122.7° | 120.2° |
| C49 | N16 | H77 | 126.3° | 125.1° |
| N16 | C49 | C51 | 129.5° | 133.5° |
| C49 | C51 | C53 | 116.5° | 119.7° |
| C49 | C51 | H79 | 121.8° | 120.1° |
| C52 | C50 | H78 | 122.6° | 120.1° |
| C50 | C52 | C53 | 124.6° | 120.6° |
| C50 | C52 | H80 | 117.7° | 119.7° |
| C53 | C51 | H79 | 121.8° | 120.1° |
| C51 | C53 | C52 | 119.7° | 120.6° |
| C51 | C53 | H81 | 120.2° | 119.7° |
| C53 | C52 | H80 | 117.7° | 119.7° |
| C52 | C53 | H81 | 120.2° | 119.7° |
| C54 | N17 | H82 | 118.9° | 121.8° |
| N17 | C54 | C55 | 110.4° | 109.4° |
| N17 | C54 | C58 | 106.4° | 109.2° |
| N17 | C54 | H83 | 110.4° | 110.0° |
| C54 | N17 | C44 | 122.2° | 116.8° |
| H82 | N17 | C44 | 118.9° | 121.4° |
| C55 | C54 | C58 | 110.8° | 109.2° |
| C55 | C54 | H83 | 109.4° | 109.5° |
| C54 | C55 | C56 | 113.2° | 109.5° |
| C54 | C55 | H84 | 108.5° | 109.5° |
| C54 | C55 | H85 | 108.5° | 109.5° |
| C58 | C54 | H83 | 109.4° | 109.6° |
| C54 | C58 | O10 | 122.2° | 120.4° |
| C54 | C58 | N19 | 114.4° | 118.8° |
| C56 | C55 | H84 | 108.5° | 109.4° |
| C56 | C55 | H85 | 108.5° | 109.5° |
| C55 | C56 | C57 | 110.7° | 109.5° |
| C55 | C56 | H86 | 109.2° | 109.5° |
| C55 | C56 | H87 | 109.2° | 109.5° |
| H84 | C55 | H85 | 109.5° | 109.5° |
| C57 | C56 | H86 | 109.2° | 109.5° |
| C57 | C56 | H87 | 109.2° | 109.4° |
| C56 | C57 | N18 | 109.3° | 109.5° |
| C56 | C57 | H88 | 109.5° | 109.5° |
| C56 | C57 | H89 | 109.5° | 109.4° |
| H86 | C56 | H87 | 109.4° | 109.5° |
| N18 | C57 | H88 | 109.5° | 109.5° |
| N18 | C57 | H89 | 109.5° | 109.5° |
| C57 | N18 | H90 | 109.5° | 111.0° |
| C57 | N18 | H91 | 109.5° | 111.1° |
| H88 | C57 | H89 | 109.5° | 109.5° |
| H90 | N18 | H91 | 109.5° | 110.9° |
| O10 | C58 | N19 | 123.4° | 120.8° |
| C59 | N19 | H92 | 118.4° | 121.1° |
| N19 | C59 | C60 | 106.0° | 107.9° |
| N19 | C59 | C61 | 112.4° | 109.8° |
| N19 | C59 | H93 | 110.5° | 110.3° |
| C59 | N19 | C58 | 123.1° | 117.7° |
| H92 | N19 | C58 | 118.4° | 121.2° |
| C60 | C59 | C61 | 109.0° | 109.6° |
| C60 | C59 | H93 | 109.5° | 109.4° |
| C59 | C60 | O11 | 116.6° | 119.8° |
| C59 | C60 | N21 | 119.0° | 119.8° |
| C61 | C59 | H93 | 109.4° | 109.9° |
| C59 | C61 | C62 | 112.9° | 109.5° |
| C59 | C61 | H94 | 108.6° | 109.5° |
| C59 | C61 | H95 | 108.6° | 109.5° |
| O11 | C60 | N21 | 124.5° | 120.4° |
| C62 | C61 | H94 | 108.6° | 109.5° |
| C62 | C61 | H95 | 108.6° | 109.5° |
| C61 | C62 | N20 | 109.2° | 109.5° |
| C61 | C62 | H96 | 109.5° | 109.5° |
| C61 | C62 | H97 | 109.6° | 109.4° |
| H94 | C61 | H95 | 109.5° | 109.4° |
| N20 | C62 | H96 | 109.6° | 109.5° |
| N20 | C62 | H97 | 109.6° | 109.5° |
| C62 | N20 | H98 | 109.5° | 111.0° |
| C62 | N20 | H99 | 109.5° | 111.0° |
| H96 | C62 | H97 | 109.4° | 109.5° |
| H98 | N20 | H99 | 109.5° | 111.0° |
| C63 | N21 | H100 | 119.5° | 122.3° |
| N21 | C63 | C64 | 109.3° | 110.1° |
| N21 | C63 | C65 | 109.5° | 109.1° |
| N21 | C63 | H101 | 109.2° | 109.8° |
| C63 | N21 | C60 | 121.0° | 115.7° |
| H100 | N21 | C60 | 119.5° | 122.0° |
| C64 | C63 | C65 | 112.4° | 109.4° |
| C64 | C63 | H101 | 108.2° | 109.1° |
| C63 | C64 | O12 | 120.5° | 120.8° |
| C63 | C64 | N22 | 115.0° | 118.0° |
| C65 | C63 | H101 | 108.2° | 109.4° |
| C63 | C65 | H102 | 109.5° | 109.5° |
| C63 | C65 | H103 | 109.5° | 109.4° |
| C63 | C65 | H104 | 109.4° | 109.5° |
| O12 | C64 | N22 | 124.5° | 121.2° |
| H102 | C65 | H103 | 109.5° | 109.5° |
| H102 | C65 | H104 | 109.5° | 109.5° |
| H103 | C65 | H104 | 109.5° | 109.5° |
| C66 | N22 | H105 | 119.5° | 120.6° |
| N22 | C66 | C67 | 109.4° | 108.0° |
| N22 | C66 | C68 | 110.5° | 108.4° |
| N22 | C66 | H106 | 108.4° | 110.3° |
| C66 | N22 | C64 | 121.0° | 118.1° |
| H105 | N22 | C64 | 119.5° | 121.2° |
| C67 | C66 | C68 | 113.7° | 109.5° |
| C67 | C66 | H106 | 107.4° | 110.4° |
| C66 | C67 | O13 | 123.8° | 119.0° |
| C66 | C67 | N24 | 115.0° | 121.7° |
| C68 | C66 | H106 | 107.4° | 110.2° |
| C66 | C68 | C69 | 111.0° | 109.5° |
| C66 | C68 | H107 | 109.1° | 109.4° |
| C66 | C68 | H108 | 109.1° | 109.5° |
| O13 | C67 | N24 | 121.2° | 119.2° |
| C69 | C68 | H107 | 109.1° | 109.5° |
| C69 | C68 | H108 | 109.1° | 109.5° |
| C68 | C69 | C70 | 111.0° | 109.4° |
| C68 | C69 | H109 | 109.1° | 109.5° |
| C68 | C69 | H110 | 109.1° | 109.5° |
| H107 | C68 | H108 | 109.4° | 109.5° |
| C70 | C69 | H109 | 109.1° | 109.5° |
| C70 | C69 | H110 | 109.1° | 109.5° |
| C69 | C70 | C71 | 110.9° | 109.5° |
| C69 | C70 | H111 | 109.1° | 109.5° |
| C69 | C70 | H112 | 109.1° | 109.5° |
| H109 | C69 | H110 | 109.5° | 109.5° |
| C71 | C70 | H111 | 109.1° | 109.5° |
| C71 | C70 | H112 | 109.1° | 109.5° |
| C70 | C71 | N23 | 110.5° | 109.4° |
| C70 | C71 | H113 | 109.2° | 109.5° |
| C70 | C71 | H114 | 109.2° | 109.5° |
| H111 | C70 | H112 | 109.5° | 109.5° |
| N23 | C71 | H113 | 109.2° | 109.5° |
| N23 | C71 | H114 | 109.2° | 109.4° |
| C71 | N23 | H115 | 109.5° | 109.5° |
| C71 | N23 | H116 | 109.4° | 109.6° |
| C71 | N23 | H117 | 109.4° | 109.4° |
| H113 | C71 | H114 | 109.5° | 109.5° |
| H115 | N23 | H116 | 109.5° | 109.5° |
| H115 | N23 | H117 | 109.5° | 109.5° |
| H116 | N23 | H117 | 109.5° | 109.4° |
| C72 | N24 | C75 | 113.7° | 107.0° |
| N24 | C72 | C73 | 100.3° | 106.4° |
| N24 | C72 | C76 | 115.3° | 109.8° |
| N24 | C72 | H118 | 109.1° | 110.0° |
| C72 | N24 | C67 | 122.4° | 125.2° |
| N24 | C75 | C74 | 103.4° | 106.3° |
| N24 | C75 | H123 | 111.0° | 109.6° |
| N24 | C75 | H124 | 111.0° | 111.1° |
| C75 | N24 | C67 | 123.5° | 127.7° |
| C73 | C72 | C76 | 115.3° | 110.0° |
| C73 | C72 | H118 | 108.4° | 110.2° |
| C72 | C73 | C74 | 105.1° | 105.9° |
| C72 | C73 | H119 | 110.6° | 109.6° |
| C72 | C73 | H120 | 110.6° | 110.5° |
| C76 | C72 | H118 | 108.1° | 110.4° |
| C72 | C76 | O14 | 122.0° | 119.8° |
| C72 | C76 | N25 | 116.4° | 120.3° |
| C74 | C73 | H119 | 110.6° | 109.6° |
| C74 | C73 | H120 | 110.5° | 110.4° |
| C73 | C74 | C75 | 104.1° | 105.1° |
| C73 | C74 | H121 | 110.8° | 110.0° |
| C73 | C74 | H122 | 110.8° | 110.7° |
| H119 | C73 | H120 | 109.5° | 110.6° |
| C75 | C74 | H121 | 110.8° | 109.6° |
| C75 | C74 | H122 | 110.8° | 110.6° |
| C74 | C75 | H123 | 111.0° | 109.8° |
| C74 | C75 | H124 | 111.0° | 109.8° |
| H121 | C74 | H122 | 109.4° | 110.7° |
| H123 | C75 | H124 | 109.4° | 110.2° |
| O14 | C76 | N25 | 121.6° | 119.9° |
| C77 | N25 | C81 | 115.2° | 107.5° |
| N25 | C77 | C78 | 117.6° | 110.0° |
| N25 | C77 | C79 | 100.8° | 106.3° |
| N25 | C77 | H125 | 108.3° | 110.7° |
| C77 | N25 | C76 | 121.9° | 126.9° |
| N25 | C81 | C80 | 102.5° | 107.2° |
| N25 | C81 | H130 | 111.2° | 110.2° |
| N25 | C81 | H131 | 111.2° | 109.5° |
| C81 | N25 | C76 | 121.6° | 125.7° |
| C78 | C77 | C79 | 114.8° | 108.9° |
| C78 | C77 | H125 | 107.3° | 110.7° |
| C77 | C78 | O15 | 121.2° | 119.9° |
| C77 | C78 | N1 | 111.7° | 119.2° |
| C79 | C77 | H125 | 107.5° | 110.0° |
| C77 | C79 | C80 | 105.9° | 104.8° |
| C77 | C79 | H126 | 110.3° | 110.5° |
| C77 | C79 | H127 | 110.3° | 110.3° |
| O15 | C78 | N1 | 122.0° | 120.9° |
| C80 | C79 | H126 | 110.4° | 110.3° |
| C80 | C79 | H127 | 110.4° | 110.2° |
| C79 | C80 | C81 | 104.5° | 106.1° |
| C79 | C80 | H128 | 110.7° | 110.0° |
| C79 | C80 | H129 | 110.7° | 110.1° |
| H126 | C79 | H127 | 109.5° | 110.6° |
| C81 | C80 | H128 | 110.7° | 110.1° |
| C81 | C80 | H129 | 110.7° | 110.1° |
| C80 | C81 | H130 | 111.2° | 110.0° |
| C80 | C81 | H131 | 111.2° | 109.7° |
| H128 | C80 | H129 | 109.5° | 110.2° |
| H130 | C81 | H131 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C78 | 180.0° | 179.5° |
| N1 | C1 | C2 | C3 | 121.3° | 119.6° |
| N1 | C1 | C2 | H2 | 119.1° | 120.7° |
| N1 | C1 | C3 | H2 | 117.7° | 120.7° |
| N1 | C1 | C2 | O1 | 5.9° | 20.6° |
| N1 | C1 | C3 | O2 | 45.9° | 65.0° |
| N1 | C1 | C3 | C4 | 158.0° | 55.0° |
| N1 | C1 | C3 | H3 | 76.2° | 175.1° |
| C1 | N1 | C78 | C77 | 135.1° | 178.8° |
| C1 | N1 | C78 | O15 | 19.7° | 1.3° |
| N1 | C1 | C2 | N2 | 174.1° | 159.4° |
| H1 | N1 | C1 | C2 | 17.2° | 22.5° |
| H1 | N1 | C1 | C3 | 107.2° | 96.9° |
| H1 | N1 | C1 | H2 | 135.7° | 142.7° |
| H1 | N1 | C78 | C77 | 44.9° | 1.7° |
| H1 | N1 | C78 | O15 | 160.2° | 178.2° |
| C2 | C1 | C3 | H2 | 119.6° | 119.6° |
| C1 | C2 | O1 | N2 | 180.0° | 180.0° |
| C2 | C1 | C3 | O2 | 168.6° | 54.7° |
| C2 | C1 | C3 | C4 | 79.3° | 174.7° |
| C2 | C1 | C3 | H3 | 46.5° | 65.3° |
| C1 | C2 | N2 | C5 | 180.0° | 178.3° |
| C1 | C2 | N2 | H8 | 0.0° | 2.2° |
| C2 | C1 | N1 | C78 | 162.8° | 158.0° |
| C3 | C1 | C2 | O1 | 127.2° | 99.0° |
| C1 | C3 | O2 | C4 | 118.0° | 120.0° |
| C1 | C3 | O2 | H3 | 121.0° | 119.9° |
| C1 | C3 | C4 | H3 | 125.8° | 120.0° |
| C1 | C3 | O2 | H4 | 7.4° | 60.0° |
| C1 | C3 | C4 | H5 | 180.0° | 60.1° |
| C1 | C3 | C4 | H6 | 60.0° | 180.0° |
| C1 | C3 | C4 | H7 | 60.0° | 60.0° |
| C3 | C1 | N1 | C78 | 72.8° | 82.6° |
| C3 | C1 | C2 | N2 | 52.8° | 81.0° |
| H2 | C1 | C2 | O1 | 113.2° | 141.3° |
| H2 | C1 | C3 | O2 | 71.8° | 174.3° |
| H2 | C1 | C3 | C4 | 40.3° | 65.7° |
| H2 | C1 | C3 | H3 | 166.1° | 54.3° |
| H2 | C1 | N1 | C78 | 44.3° | 37.8° |
| H2 | C1 | C2 | N2 | 66.8° | 38.7° |
| O1 | C2 | N2 | C5 | 0.0° | 1.7° |
| O1 | C2 | N2 | H8 | 180.0° | 177.8° |
| O2 | C3 | C4 | H3 | 122.2° | 120.1° |
| O2 | C3 | C4 | H5 | 67.9° | 59.9° |
| O2 | C3 | C4 | H6 | 172.0° | 60.0° |
| O2 | C3 | C4 | H7 | 52.1° | 180.0° |
| C4 | C3 | O2 | H4 | 110.6° | 180.0° |
| C3 | C4 | H5 | H6 | 120.0° | 119.9° |
| C3 | C4 | H5 | H7 | 120.0° | 120.1° |
| C3 | C4 | H6 | H7 | 120.0° | 120.0° |
| H3 | C3 | O2 | H4 | 128.3° | 59.9° |
| H3 | C3 | C4 | H5 | 54.2° | 180.0° |
| H3 | C3 | C4 | H6 | 65.8° | 60.0° |
| H3 | C3 | C4 | H7 | 174.2° | 60.0° |
| H5 | C4 | H6 | H7 | 120.0° | 120.0° |
| C5 | N2 | H8 | C2 | 180.0° | 179.5° |
| N2 | C5 | C6 | C7 | 123.2° | 119.6° |
| N2 | C5 | C6 | H9 | 117.6° | 120.0° |
| N2 | C5 | C7 | H9 | 119.3° | 121.2° |
| N2 | C5 | C6 | O3 | 39.7° | 68.7° |
| N2 | C5 | C7 | C8 | 99.7° | 65.1° |
| N2 | C5 | C7 | H10 | 21.0° | 55.0° |
| N2 | C5 | C7 | H11 | 139.7° | 174.9° |
| N2 | C5 | C6 | N4 | 140.3° | 111.7° |
| H8 | N2 | C5 | C6 | 29.5° | 30.9° |
| H8 | N2 | C5 | C7 | 94.9° | 88.6° |
| H8 | N2 | C5 | H9 | 146.4° | 150.4° |
| C6 | C5 | C7 | H9 | 119.2° | 120.1° |
| C5 | C6 | O3 | N4 | 179.9° | 179.6° |
| C6 | C5 | C7 | C8 | 138.9° | 176.2° |
| C6 | C5 | C7 | H10 | 100.5° | 63.7° |
| C6 | C5 | C7 | H11 | 18.2° | 56.2° |
| C5 | C6 | N4 | C16 | 179.9° | 177.6° |
| C5 | C6 | N4 | H18 | 0.1° | 2.4° |
| C6 | C5 | N2 | C2 | 150.5° | 149.5° |
| C7 | C5 | C6 | O3 | 83.5° | 51.0° |
| C5 | C7 | C8 | H10 | 120.7° | 120.1° |
| C5 | C7 | C8 | H11 | 120.7° | 120.0° |
| C5 | C7 | H10 | H11 | 118.0° | 119.9° |
| C5 | C7 | C8 | C9 | 82.3° | 94.9° |
| C5 | C7 | C8 | C10 | 97.8° | 84.7° |
| C7 | C5 | N2 | C2 | 85.1° | 91.0° |
| C7 | C5 | C6 | N4 | 96.5° | 128.6° |
| H9 | C5 | C6 | O3 | 157.2° | 171.4° |
| H9 | C5 | C7 | C8 | 19.6° | 56.1° |
| H9 | C5 | C7 | H10 | 140.3° | 176.2° |
| H9 | C5 | C7 | H11 | 101.0° | 63.9° |
| H9 | C5 | N2 | C2 | 33.6° | 30.0° |
| H9 | C5 | C6 | N4 | 22.7° | 8.3° |
| O3 | C6 | N4 | C16 | 0.1° | 2.8° |
| O3 | C6 | N4 | H18 | 179.9° | 177.2° |
| C8 | C7 | H10 | H11 | 117.9° | 120.0° |
| C7 | C8 | C9 | C10 | 179.9° | 179.7° |
| C7 | C8 | C9 | N3 | 180.0° | 180.0° |
| C7 | C8 | C9 | H12 | 0.0° | 0.1° |
| C7 | C8 | C10 | C11 | 180.0° | 180.0° |
| C7 | C8 | C10 | C12 | 0.2° | 0.1° |
| H10 | C7 | C8 | C9 | 38.3° | 145.0° |
| H10 | C7 | C8 | C10 | 141.5° | 35.4° |
| H11 | C7 | C8 | C9 | 157.0° | 25.1° |
| H11 | C7 | C8 | C10 | 22.9° | 155.3° |
| C8 | C9 | N3 | H12 | 180.0° | 180.0° |
| C9 | C8 | C10 | C11 | 0.1° | 0.3° |
| C9 | C8 | C10 | C12 | 179.9° | 179.7° |
| C8 | C9 | N3 | C11 | 0.1° | 0.2° |
| C8 | C9 | N3 | H13 | 179.9° | 180.0° |
| C10 | C8 | C9 | N3 | 0.1° | 0.3° |
| C10 | C8 | C9 | H12 | 179.9° | 179.7° |
| C8 | C10 | C11 | C12 | 179.8° | 180.0° |
| C8 | C10 | C11 | N3 | 0.1° | 0.2° |
| C8 | C10 | C11 | C13 | 180.0° | 180.0° |
| C8 | C10 | C12 | C14 | 179.9° | 179.9° |
| C8 | C10 | C12 | H14 | 0.1° | 0.0° |
| C9 | N3 | C11 | C10 | 0.0° | 0.0° |
| C9 | N3 | C11 | H13 | 180.0° | 179.8° |
| C9 | N3 | C11 | C13 | 180.0° | 179.8° |
| H12 | C9 | N3 | C11 | 180.0° | 179.8° |
| H12 | C9 | N3 | H13 | 0.0° | 0.0° |
| C10 | C11 | N3 | C13 | 179.9° | 179.8° |
| C10 | C11 | N3 | H13 | 180.0° | 179.8° |
| C11 | C10 | C12 | C14 | 0.2° | 0.1° |
| C11 | C10 | C12 | H14 | 179.8° | 180.0° |
| C10 | C11 | C13 | C15 | 0.0° | 0.0° |
| C10 | C11 | C13 | H15 | 180.0° | 180.0° |
| C12 | C10 | C11 | N3 | 179.9° | 179.8° |
| C12 | C10 | C11 | C13 | 0.2° | 0.0° |
| C10 | C12 | C14 | H14 | 180.0° | 179.9° |
| C10 | C12 | C14 | C15 | 0.1° | 0.1° |
| C10 | C12 | C14 | H16 | 179.9° | 180.0° |
| N3 | C11 | C13 | C15 | 180.0° | 179.8° |
| N3 | C11 | C13 | H15 | 0.0° | 0.2° |
| H13 | N3 | C11 | C13 | 0.1° | 0.0° |
| C11 | C13 | C15 | H15 | 180.0° | 180.0° |
| C11 | C13 | C15 | C14 | 0.1° | 0.1° |
| C11 | C13 | C15 | H17 | 179.9° | 180.0° |
| C12 | C14 | C15 | C13 | 0.1° | 0.1° |
| C12 | C14 | C15 | H16 | 180.0° | 179.9° |
| C12 | C14 | C15 | H17 | 179.9° | 180.0° |
| H14 | C12 | C14 | C15 | 179.9° | 180.0° |
| H14 | C12 | C14 | H16 | 0.1° | 0.1° |
| C13 | C15 | C14 | H17 | 180.0° | 179.9° |
| C13 | C15 | C14 | H16 | 180.0° | 180.0° |
| H15 | C13 | C15 | C14 | 179.9° | 179.9° |
| H15 | C13 | C15 | H17 | 0.1° | 0.0° |
| H16 | C14 | C15 | H17 | 0.0° | 0.0° |
| C16 | N4 | H18 | C6 | 180.0° | 179.9° |
| N4 | C16 | C17 | C18 | 123.9° | 119.5° |
| N4 | C16 | C17 | H19 | 117.4° | 120.5° |
| N4 | C16 | C18 | H19 | 118.0° | 120.5° |
| N4 | C16 | C17 | O4 | 104.5° | 1.3° |
| N4 | C16 | C18 | C19 | 71.2° | 65.0° |
| N4 | C16 | C18 | H20 | 49.7° | 54.9° |
| N4 | C16 | C18 | H21 | 167.8° | 175.0° |
| N4 | C16 | C17 | N5 | 75.5° | 178.5° |
| H18 | N4 | C16 | C17 | 84.8° | 22.8° |
| H18 | N4 | C16 | C18 | 41.0° | 96.6° |
| H18 | N4 | C16 | H19 | 158.4° | 143.1° |
| C17 | C16 | C18 | H19 | 118.7° | 119.9° |
| C16 | C17 | O4 | N5 | 180.0° | 179.8° |
| C17 | C16 | C18 | C19 | 165.5° | 175.4° |
| C17 | C16 | C18 | H20 | 73.6° | 64.7° |
| C17 | C16 | C18 | H21 | 44.5° | 55.4° |
| C16 | C17 | N5 | C22 | 178.4° | 176.5° |
| C16 | C17 | N5 | H29 | 1.5° | 3.8° |
| C17 | C16 | N4 | C6 | 95.2° | 157.2° |
| C18 | C16 | C17 | O4 | 19.4° | 118.2° |
| C16 | C18 | C19 | H20 | 120.9° | 120.0° |
| C16 | C18 | C19 | H21 | 120.9° | 120.0° |
| C16 | C18 | H20 | H21 | 117.0° | 120.1° |
| C16 | C18 | C19 | C20 | 153.6° | 175.0° |
| C16 | C18 | C19 | C21 | 81.1° | 65.0° |
| C16 | C18 | C19 | H22 | 36.3° | 55.0° |
| C18 | C16 | N4 | C6 | 139.0° | 83.3° |
| C18 | C16 | C17 | N5 | 160.5° | 62.0° |
| H19 | C16 | C17 | O4 | 138.1° | 121.8° |
| H19 | C16 | C18 | C19 | 46.7° | 55.4° |
| H19 | C16 | C18 | H20 | 167.7° | 175.4° |
| H19 | C16 | C18 | H21 | 74.2° | 64.5° |
| H19 | C16 | N4 | C6 | 21.6° | 36.9° |
| H19 | C16 | C17 | N5 | 41.9° | 58.0° |
| O4 | C17 | N5 | C22 | 1.5° | 3.7° |
| O4 | C17 | N5 | H29 | 178.5° | 176.0° |
| C19 | C18 | H20 | H21 | 117.1° | 119.9° |
| C18 | C19 | C20 | C21 | 124.7° | 120.0° |
| C18 | C19 | C20 | H22 | 117.3° | 120.0° |
| C18 | C19 | C21 | H22 | 117.3° | 120.0° |
| C18 | C19 | C20 | H23 | 180.0° | 60.0° |
| C18 | C19 | C20 | H24 | 60.0° | 180.0° |
| C18 | C19 | C20 | H25 | 60.0° | 60.0° |
| C18 | C19 | C21 | H26 | 180.0° | 179.9° |
| C18 | C19 | C21 | H27 | 60.0° | 60.1° |
| C18 | C19 | C21 | H28 | 60.0° | 60.0° |
| H20 | C18 | C19 | C20 | 32.7° | 55.0° |
| H20 | C18 | C19 | C21 | 158.0° | 175.0° |
| H20 | C18 | C19 | H22 | 84.7° | 65.0° |
| H21 | C18 | C19 | C20 | 85.5° | 65.0° |
| H21 | C18 | C19 | C21 | 39.8° | 55.1° |
| H21 | C18 | C19 | H22 | 157.2° | 175.0° |
| C20 | C19 | C21 | H22 | 117.9° | 120.0° |
| C19 | C20 | H23 | H24 | 120.0° | 120.0° |
| C19 | C20 | H23 | H25 | 120.0° | 119.9° |
| C19 | C20 | H24 | H25 | 120.0° | 120.0° |
| C20 | C19 | C21 | H26 | 55.3° | 60.0° |
| C20 | C19 | C21 | H27 | 64.7° | 60.0° |
| C20 | C19 | C21 | H28 | 175.3° | 180.0° |
| C21 | C19 | C20 | H23 | 55.3° | 60.0° |
| C21 | C19 | C20 | H24 | 175.3° | 60.0° |
| C21 | C19 | C20 | H25 | 64.7° | 180.0° |
| C19 | C21 | H26 | H27 | 120.0° | 120.0° |
| C19 | C21 | H26 | H28 | 120.0° | 120.0° |
| C19 | C21 | H27 | H28 | 120.0° | 120.0° |
| H22 | C19 | C20 | H23 | 62.7° | 180.0° |
| H22 | C19 | C20 | H24 | 57.4° | 60.0° |
| H22 | C19 | C20 | H25 | 177.3° | 60.0° |
| H22 | C19 | C21 | H26 | 62.7° | 60.0° |
| H22 | C19 | C21 | H27 | 177.3° | 180.0° |
| H22 | C19 | C21 | H28 | 57.3° | 60.0° |
| H23 | C20 | H24 | H25 | 119.9° | 120.1° |
| H26 | C21 | H27 | H28 | 120.0° | 120.0° |
| C22 | N5 | H29 | C17 | 180.0° | 179.7° |
| N5 | C22 | C23 | C24 | 121.2° | 119.8° |
| N5 | C22 | C23 | H30 | 119.2° | 120.3° |
| N5 | C22 | C24 | H30 | 123.2° | 121.0° |
| N5 | C22 | C23 | O5 | 59.3° | 61.8° |
| N5 | C22 | C24 | C25 | 85.6° | 65.0° |
| N5 | C22 | C24 | H31 | 34.9° | 55.0° |
| N5 | C22 | C24 | H32 | 153.9° | 175.0° |
| N5 | C22 | C23 | N7 | 122.8° | 118.6° |
| H29 | N5 | C22 | C23 | 98.8° | 49.1° |
| H29 | N5 | C22 | C24 | 20.1° | 70.5° |
| H29 | N5 | C22 | H30 | 142.7° | 168.9° |
| C23 | C22 | C24 | H30 | 119.7° | 119.6° |
| C22 | C23 | O5 | N7 | 177.8° | 179.6° |
| C23 | C22 | C24 | C25 | 157.3° | 175.6° |
| C23 | C22 | C24 | H31 | 82.2° | 64.4° |
| C23 | C22 | C24 | H32 | 36.8° | 55.6° |
| C22 | C23 | N7 | C26 | 177.9° | 174.8° |
| C22 | C23 | N7 | H37 | 2.2° | 5.3° |
| C23 | C22 | N5 | C17 | 81.2° | 131.2° |
| C24 | C22 | C23 | O5 | 61.9° | 58.0° |
| C22 | C24 | C25 | H31 | 120.5° | 120.0° |
| C22 | C24 | C25 | H32 | 120.5° | 120.0° |
| C22 | C24 | H31 | H32 | 118.5° | 120.0° |
| C22 | C24 | C25 | N6 | 175.8° | 180.0° |
| C22 | C24 | C25 | H33 | 64.2° | 60.0° |
| C22 | C24 | C25 | H34 | 55.9° | 60.0° |
| C24 | C22 | N5 | C17 | 159.9° | 109.2° |
| C24 | C22 | C23 | N7 | 116.0° | 121.6° |
| H30 | C22 | C23 | O5 | 178.5° | 177.8° |
| H30 | C22 | C24 | C25 | 37.6° | 56.0° |
| H30 | C22 | C24 | H31 | 158.1° | 176.0° |
| H30 | C22 | C24 | H32 | 82.9° | 64.0° |
| H30 | C22 | N5 | C17 | 37.3° | 11.4° |
| H30 | C22 | C23 | N7 | 3.6° | 1.8° |
| O5 | C23 | N7 | C26 | 0.1° | 5.6° |
| O5 | C23 | N7 | H37 | 179.9° | 174.3° |
| C25 | C24 | H31 | H32 | 118.5° | 120.0° |
| C24 | C25 | N6 | H33 | 120.0° | 119.9° |
| C24 | C25 | N6 | H34 | 119.9° | 120.0° |
| C24 | C25 | H33 | H34 | 120.2° | 120.0° |
| C24 | C25 | N6 | H35 | 180.0° | 180.0° |
| C24 | C25 | N6 | H36 | 60.0° | 56.1° |
| H31 | C24 | C25 | N6 | 55.3° | 60.0° |
| H31 | C24 | C25 | H33 | 175.3° | 180.0° |
| H31 | C24 | C25 | H34 | 64.6° | 60.0° |
| H32 | C24 | C25 | N6 | 63.7° | 60.0° |
| H32 | C24 | C25 | H33 | 56.2° | 60.0° |
| H32 | C24 | C25 | H34 | 176.4° | 180.0° |
| N6 | C25 | H33 | H34 | 120.2° | 120.1° |
| C25 | N6 | H35 | H36 | 120.0° | 123.9° |
| H33 | C25 | N6 | H35 | 60.0° | 60.1° |
| H33 | C25 | N6 | H36 | 180.0° | 176.0° |
| H34 | C25 | N6 | H35 | 60.1° | 60.0° |
| H34 | C25 | N6 | H36 | 59.9° | 63.9° |
| C26 | N7 | H37 | C23 | 180.0° | 179.9° |
| N7 | C26 | C27 | C30 | 117.7° | 119.0° |
| N7 | C26 | C27 | H38 | 121.7° | 120.0° |
| N7 | C26 | C30 | H38 | 119.3° | 119.9° |
| N7 | C26 | C27 | C28 | 147.2° | 65.0° |
| N7 | C26 | C27 | H39 | 26.7° | 55.0° |
| N7 | C26 | C27 | H40 | 92.2° | 175.0° |
| N7 | C26 | C30 | O6 | 89.4° | 40.4° |
| N7 | C26 | C30 | N9 | 91.5° | 141.4° |
| H37 | N7 | C26 | C27 | 84.1° | 100.2° |
| H37 | N7 | C26 | C30 | 36.2° | 19.8° |
| H37 | N7 | C26 | H38 | 154.9° | 139.8° |
| C27 | C26 | C30 | H38 | 120.6° | 121.0° |
| C26 | C27 | C28 | H39 | 120.6° | 120.0° |
| C26 | C27 | C28 | H40 | 120.5° | 119.9° |
| C26 | C27 | H39 | H40 | 118.3° | 119.9° |
| C26 | C27 | C28 | C29 | 167.5° | 180.0° |
| C26 | C27 | C28 | H41 | 47.3° | 60.0° |
| C26 | C27 | C28 | H42 | 72.3° | 60.0° |
| C27 | C26 | C30 | O6 | 30.7° | 159.5° |
| C27 | C26 | N7 | C23 | 95.9° | 79.9° |
| C27 | C26 | C30 | N9 | 148.4° | 22.3° |
| C30 | C26 | C27 | C28 | 95.1° | 176.0° |
| C30 | C26 | C27 | H39 | 144.4° | 64.0° |
| C30 | C26 | C27 | H40 | 25.5° | 56.1° |
| C26 | C30 | O6 | N9 | 179.0° | 178.2° |
| C26 | C30 | N9 | C31 | 179.0° | 161.9° |
| C26 | C30 | N9 | H47 | 1.0° | 20.1° |
| C30 | C26 | N7 | C23 | 143.8° | 160.1° |
| H38 | C26 | C27 | C28 | 25.5° | 55.0° |
| H38 | C26 | C27 | H39 | 95.0° | 175.0° |
| H38 | C26 | C27 | H40 | 146.1° | 65.0° |
| H38 | C26 | C30 | O6 | 151.3° | 79.5° |
| H38 | C26 | N7 | C23 | 25.2° | 40.1° |
| H38 | C26 | C30 | N9 | 27.8° | 98.7° |
| C28 | C27 | H39 | H40 | 118.3° | 120.1° |
| C27 | C28 | C29 | H41 | 120.2° | 120.0° |
| C27 | C28 | C29 | H42 | 120.2° | 120.0° |
| C27 | C28 | H41 | H42 | 119.4° | 120.1° |
| C27 | C28 | C29 | N8 | 78.2° | 180.0° |
| C27 | C28 | C29 | H43 | 41.7° | 60.0° |
| C27 | C28 | C29 | H44 | 161.8° | 60.0° |
| H39 | C27 | C28 | C29 | 71.9° | 60.0° |
| H39 | C27 | C28 | H41 | 167.9° | 180.0° |
| H39 | C27 | C28 | H42 | 48.3° | 59.9° |
| H40 | C27 | C28 | C29 | 47.0° | 60.1° |
| H40 | C27 | C28 | H41 | 73.2° | 59.9° |
| H40 | C27 | C28 | H42 | 167.2° | 180.0° |
| C29 | C28 | H41 | H42 | 119.4° | 119.9° |
| C28 | C29 | N8 | H43 | 120.0° | 120.0° |
| C28 | C29 | N8 | H44 | 119.9° | 120.0° |
| C28 | C29 | H43 | H44 | 120.1° | 120.0° |
| C28 | C29 | N8 | H45 | 180.0° | 180.0° |
| C28 | C29 | N8 | H46 | 60.0° | 56.0° |
| H41 | C28 | C29 | N8 | 161.6° | 60.0° |
| H41 | C28 | C29 | H43 | 78.5° | 180.0° |
| H41 | C28 | C29 | H44 | 41.6° | 60.0° |
| H42 | C28 | C29 | N8 | 42.0° | 60.0° |
| H42 | C28 | C29 | H43 | 161.9° | 60.0° |
| H42 | C28 | C29 | H44 | 78.0° | 180.0° |
| N8 | C29 | H43 | H44 | 120.1° | 120.0° |
| C29 | N8 | H45 | H46 | 120.0° | 124.0° |
| H43 | C29 | N8 | H45 | 60.0° | 60.0° |
| H43 | C29 | N8 | H46 | 179.9° | 176.0° |
| H44 | C29 | N8 | H45 | 60.1° | 60.1° |
| H44 | C29 | N8 | H46 | 60.0° | 64.0° |
| O6 | C30 | N9 | C31 | 0.1° | 19.9° |
| O6 | C30 | N9 | H47 | 179.9° | 158.1° |
| C31 | N9 | H47 | C30 | 180.0° | 178.0° |
| N9 | C31 | C32 | C33 | 123.9° | 119.0° |
| N9 | C31 | C32 | H48 | 117.4° | 120.1° |
| N9 | C31 | C33 | H48 | 118.0° | 120.8° |
| N9 | C31 | C32 | O7 | 45.7° | 36.4° |
| N9 | C31 | C33 | C34 | 112.5° | 57.4° |
| N9 | C31 | C33 | H49 | 127.2° | 62.6° |
| N9 | C31 | C33 | H50 | 7.7° | 177.3° |
| N9 | C31 | C32 | N11 | 134.4° | 145.0° |
| H47 | N9 | C31 | C32 | 97.1° | 4.8° |
| H47 | N9 | C31 | C33 | 28.6° | 124.0° |
| H47 | N9 | C31 | H48 | 146.1° | 115.2° |
| C32 | C31 | C33 | H48 | 118.7° | 120.9° |
| C31 | C32 | O7 | N11 | 179.9° | 178.6° |
| C32 | C31 | C33 | C34 | 124.2° | 61.0° |
| C32 | C31 | C33 | H49 | 4.0° | 179.0° |
| C32 | C31 | C33 | H50 | 115.6° | 59.0° |
| C31 | C32 | N11 | C37 | 180.0° | 163.0° |
| C31 | C32 | N11 | H59 | 0.0° | 19.0° |
| C32 | C31 | N9 | C30 | 82.8° | 177.1° |
| C33 | C31 | C32 | O7 | 78.2° | 155.4° |
| C31 | C33 | C34 | H49 | 120.2° | 120.0° |
| C31 | C33 | C34 | H50 | 120.2° | 119.9° |
| C31 | C33 | H49 | H50 | 119.3° | 120.0° |
| C31 | C33 | C34 | C35 | 169.0° | 177.3° |
| C31 | C33 | C34 | H51 | 48.7° | 62.7° |
| C31 | C33 | C34 | H52 | 70.8° | 57.3° |
| C33 | C31 | N9 | C30 | 151.4° | 57.9° |
| C33 | C31 | C32 | N11 | 101.7° | 26.0° |
| H48 | C31 | C32 | O7 | 163.1° | 83.7° |
| H48 | C31 | C33 | C34 | 5.5° | 178.2° |
| H48 | C31 | C33 | H49 | 114.7° | 58.1° |
| H48 | C31 | C33 | H50 | 125.7° | 61.9° |
| H48 | C31 | N9 | C30 | 33.9° | 62.9° |
| H48 | C31 | C32 | N11 | 17.0° | 95.0° |
| O7 | C32 | N11 | C37 | 0.1° | 18.4° |
| O7 | C32 | N11 | H59 | 179.9° | 159.7° |
| C34 | C33 | H49 | H50 | 119.3° | 120.1° |
| C33 | C34 | C35 | H51 | 120.2° | 120.0° |
| C33 | C34 | C35 | H52 | 120.2° | 120.0° |
| C33 | C34 | H51 | H52 | 119.3° | 120.0° |
| C33 | C34 | C35 | C36 | 92.1° | 180.0° |
| C33 | C34 | C35 | H53 | 147.6° | 60.0° |
| C33 | C34 | C35 | H54 | 28.1° | 60.0° |
| H49 | C33 | C34 | C35 | 70.8° | 57.3° |
| H49 | C33 | C34 | H51 | 169.0° | 177.3° |
| H49 | C33 | C34 | H52 | 49.4° | 62.7° |
| H50 | C33 | C34 | C35 | 48.7° | 62.8° |
| H50 | C33 | C34 | H51 | 71.5° | 57.2° |
| H50 | C33 | C34 | H52 | 169.0° | 177.2° |
| C35 | C34 | H51 | H52 | 119.3° | 120.1° |
| C34 | C35 | C36 | H53 | 120.2° | 120.0° |
| C34 | C35 | C36 | H54 | 120.2° | 120.0° |
| C34 | C35 | H53 | H54 | 119.3° | 120.0° |
| C34 | C35 | C36 | N10 | 170.9° | 180.0° |
| C34 | C35 | C36 | H55 | 50.7° | 60.0° |
| C34 | C35 | C36 | H56 | 68.9° | 60.0° |
| H51 | C34 | C35 | C36 | 28.1° | 60.0° |
| H51 | C34 | C35 | H53 | 92.1° | 180.0° |
| H51 | C34 | C35 | H54 | 148.3° | 60.0° |
| H52 | C34 | C35 | C36 | 147.6° | 60.0° |
| H52 | C34 | C35 | H53 | 27.4° | 60.0° |
| H52 | C34 | C35 | H54 | 92.1° | 180.0° |
| C36 | C35 | H53 | H54 | 119.3° | 120.0° |
| C35 | C36 | N10 | H55 | 120.2° | 120.0° |
| C35 | C36 | N10 | H56 | 120.2° | 119.9° |
| C35 | C36 | H55 | H56 | 119.5° | 120.0° |
| C35 | C36 | N10 | H57 | 180.0° | 56.0° |
| C35 | C36 | N10 | H58 | 60.0° | 179.9° |
| H53 | C35 | C36 | N10 | 68.9° | 60.0° |
| H53 | C35 | C36 | H55 | 171.0° | 180.0° |
| H53 | C35 | C36 | H56 | 51.3° | 59.9° |
| H54 | C35 | C36 | N10 | 50.7° | 60.0° |
| H54 | C35 | C36 | H55 | 69.5° | 60.0° |
| H54 | C35 | C36 | H56 | 170.9° | 180.0° |
| N10 | C36 | H55 | H56 | 119.5° | 120.0° |
| C36 | N10 | H57 | H58 | 120.0° | 124.0° |
| H55 | C36 | N10 | H57 | 59.9° | 63.9° |
| H55 | C36 | N10 | H58 | 179.8° | 60.1° |
| H56 | C36 | N10 | H57 | 59.8° | 176.0° |
| H56 | C36 | N10 | H58 | 60.2° | 60.0° |
| C37 | N11 | H59 | C32 | 180.0° | 178.0° |
| N11 | C37 | C38 | C39 | 122.4° | 119.0° |
| N11 | C37 | C38 | H60 | 119.8° | 120.4° |
| N11 | C37 | C39 | H60 | 120.2° | 121.3° |
| N11 | C37 | C38 | O8 | 168.7° | 5.8° |
| N11 | C37 | C39 | C40 | 115.0° | 66.0° |
| N11 | C37 | C39 | H61 | 5.2° | 54.0° |
| N11 | C37 | C39 | H62 | 124.7° | 174.0° |
| N11 | C37 | C38 | N15 | 11.3° | 174.3° |
| H59 | N11 | C37 | C38 | 95.5° | 2.0° |
| H59 | N11 | C37 | C39 | 25.8° | 120.7° |
| H59 | N11 | C37 | H60 | 145.4° | 118.1° |
| C38 | C37 | C39 | H60 | 117.8° | 120.5° |
| C37 | C38 | O8 | N15 | 179.9° | 179.9° |
| C38 | C37 | C39 | C40 | 123.1° | 175.9° |
| C38 | C37 | C39 | H61 | 116.7° | 64.1° |
| C38 | C37 | C39 | H62 | 2.8° | 55.8° |
| C37 | C38 | N15 | C43 | 180.0° | 175.6° |
| C37 | C38 | N15 | H72 | 0.0° | 4.8° |
| C38 | C37 | N11 | C32 | 84.5° | 179.8° |
| C39 | C37 | C38 | O8 | 46.3° | 124.8° |
| C37 | C39 | C40 | H61 | 120.2° | 120.0° |
| C37 | C39 | C40 | H62 | 120.3° | 120.0° |
| C37 | C39 | H61 | H62 | 119.3° | 120.0° |
| C37 | C39 | C40 | C41 | 159.4° | 172.8° |
| C37 | C39 | C40 | H63 | 39.2° | 52.8° |
| C37 | C39 | C40 | H64 | 80.3° | 67.2° |
| C39 | C37 | N11 | C32 | 154.2° | 61.2° |
| C39 | C37 | C38 | N15 | 133.7° | 55.3° |
| H60 | C37 | C38 | O8 | 71.6° | 114.6° |
| H60 | C37 | C39 | C40 | 5.2° | 55.3° |
| H60 | C37 | C39 | H61 | 125.4° | 175.3° |
| H60 | C37 | C39 | H62 | 115.0° | 64.7° |
| H60 | C37 | N11 | C32 | 34.6° | 60.0° |
| H60 | C37 | C38 | N15 | 108.5° | 65.3° |
| O8 | C38 | N15 | C43 | 0.1° | 4.5° |
| O8 | C38 | N15 | H72 | 179.9° | 175.1° |
| C40 | C39 | H61 | H62 | 119.3° | 120.0° |
| C39 | C40 | C41 | H63 | 120.2° | 120.0° |
| C39 | C40 | C41 | H64 | 120.2° | 120.0° |
| C39 | C40 | H63 | H64 | 119.3° | 120.0° |
| C39 | C40 | C41 | N12 | 111.5° | 180.0° |
| C39 | C40 | C41 | H65 | 128.4° | 60.0° |
| C39 | C40 | C41 | H66 | 8.5° | 60.0° |
| H61 | C39 | C40 | C41 | 80.4° | 67.2° |
| H61 | C39 | C40 | H63 | 159.4° | 172.8° |
| H61 | C39 | C40 | H64 | 39.9° | 52.8° |
| H62 | C39 | C40 | C41 | 39.2° | 52.8° |
| H62 | C39 | C40 | H63 | 81.1° | 67.2° |
| H62 | C39 | C40 | H64 | 159.4° | 172.8° |
| C41 | C40 | H63 | H64 | 119.3° | 120.0° |
| C40 | C41 | N12 | H65 | 120.1° | 120.0° |
| C40 | C41 | N12 | H66 | 120.1° | 120.0° |
| C40 | C41 | H65 | H66 | 119.8° | 120.0° |
| C40 | C41 | N12 | C42 | 79.4° | 180.0° |
| C40 | C41 | N12 | H67 | 100.6° | 0.0° |
| H63 | C40 | C41 | N12 | 8.7° | 60.0° |
| H63 | C40 | C41 | H65 | 111.4° | 179.9° |
| H63 | C40 | C41 | H66 | 128.8° | 60.0° |
| H64 | C40 | C41 | N12 | 128.2° | 60.0° |
| H64 | C40 | C41 | H65 | 8.1° | 60.0° |
| H64 | C40 | C41 | H66 | 111.7° | 180.0° |
| N12 | C41 | H65 | H66 | 119.8° | 120.1° |
| C41 | N12 | C42 | H67 | 180.0° | 180.0° |
| C41 | N12 | C42 | N13 | 0.0° | 0.0° |
| C41 | N12 | C42 | N14 | 180.0° | 180.0° |
| H65 | C41 | N12 | C42 | 40.7° | 60.0° |
| H65 | C41 | N12 | H67 | 139.3° | 119.9° |
| H66 | C41 | N12 | C42 | 160.6° | 60.0° |
| H66 | C41 | N12 | H67 | 19.4° | 120.0° |
| N12 | C42 | N13 | N14 | 180.0° | 179.9° |
| N12 | C42 | N13 | H68 | 180.0° | 0.0° |
| N12 | C42 | N13 | H69 | 0.0° | 180.0° |
| N12 | C42 | N14 | H70 | 180.0° | 0.1° |
| N12 | C42 | N14 | H71 | 0.0° | 180.0° |
| H67 | N12 | C42 | N13 | 180.0° | 180.0° |
| H67 | N12 | C42 | N14 | 0.0° | 0.1° |
| C42 | N13 | H68 | H69 | 180.0° | 180.0° |
| N13 | C42 | N14 | H70 | 0.0° | 180.0° |
| N13 | C42 | N14 | H71 | 180.0° | 0.1° |
| N14 | C42 | N13 | H68 | 0.0° | 180.0° |
| N14 | C42 | N13 | H69 | 180.0° | 0.0° |
| C42 | N14 | H70 | H71 | 180.0° | 179.9° |
| C43 | N15 | H72 | C38 | 180.0° | 179.6° |
| N15 | C43 | C44 | C45 | 123.1° | 119.7° |
| N15 | C43 | C44 | H73 | 117.6° | 119.9° |
| N15 | C43 | C45 | H73 | 119.3° | 120.8° |
| N15 | C43 | C44 | O9 | 4.4° | 71.4° |
| N15 | C43 | C45 | C46 | 164.9° | 65.0° |
| N15 | C43 | C45 | H74 | 44.3° | 55.0° |
| N15 | C43 | C45 | H75 | 74.4° | 175.0° |
| N15 | C43 | C44 | N17 | 175.6° | 108.7° |
| H72 | N15 | C43 | C44 | 67.0° | 38.6° |
| H72 | N15 | C43 | C45 | 57.4° | 81.1° |
| H72 | N15 | C43 | H73 | 176.1° | 158.2° |
| C44 | C43 | C45 | H73 | 119.3° | 120.2° |
| C43 | C44 | O9 | N17 | 180.0° | 179.9° |
| C44 | C43 | C45 | C46 | 73.6° | 176.0° |
| C44 | C43 | C45 | H74 | 165.7° | 64.0° |
| C44 | C43 | C45 | H75 | 47.1° | 56.0° |
| C43 | C44 | N17 | C54 | 180.0° | 178.2° |
| C43 | C44 | N17 | H82 | 0.0° | 1.5° |
| C44 | C43 | N15 | C38 | 113.1° | 141.8° |
| C45 | C43 | C44 | O9 | 118.7° | 48.3° |
| C43 | C45 | C46 | H74 | 120.7° | 120.0° |
| C43 | C45 | C46 | H75 | 120.7° | 120.0° |
| C43 | C45 | H74 | H75 | 117.9° | 120.0° |
| C43 | C45 | C46 | C47 | 69.5° | 94.9° |
| C43 | C45 | C46 | C48 | 110.5° | 84.7° |
| C45 | C43 | N15 | C38 | 122.6° | 98.5° |
| C45 | C43 | C44 | N17 | 61.3° | 131.6° |
| H73 | C43 | C44 | O9 | 122.0° | 168.7° |
| H73 | C43 | C45 | C46 | 45.7° | 55.8° |
| H73 | C43 | C45 | H74 | 75.0° | 175.8° |
| H73 | C43 | C45 | H75 | 166.3° | 64.2° |
| H73 | C43 | N15 | C38 | 3.9° | 22.2° |
| H73 | C43 | C44 | N17 | 58.0° | 11.2° |
| O9 | C44 | N17 | C54 | 0.0° | 1.8° |
| O9 | C44 | N17 | H82 | 180.0° | 178.4° |
| C46 | C45 | H74 | H75 | 118.0° | 119.9° |
| C45 | C46 | C47 | C48 | 180.0° | 179.6° |
| C45 | C46 | C47 | N16 | 180.0° | 180.0° |
| C45 | C46 | C47 | H76 | 0.0° | 0.2° |
| C45 | C46 | C48 | C49 | 179.9° | 180.0° |
| C45 | C46 | C48 | C50 | 0.1° | 0.1° |
| H74 | C45 | C46 | C47 | 51.1° | 145.1° |
| H74 | C45 | C46 | C48 | 128.9° | 35.4° |
| H75 | C45 | C46 | C47 | 169.8° | 25.1° |
| H75 | C45 | C46 | C48 | 10.2° | 155.3° |
| C46 | C47 | N16 | H76 | 180.0° | 179.8° |
| C47 | C46 | C48 | C49 | 0.1° | 0.3° |
| C47 | C46 | C48 | C50 | 180.0° | 179.8° |
| C46 | C47 | N16 | C49 | 0.0° | 0.3° |
| C46 | C47 | N16 | H77 | 180.0° | 180.0° |
| C48 | C46 | C47 | N16 | 0.0° | 0.4° |
| C48 | C46 | C47 | H76 | 180.0° | 179.8° |
| C46 | C48 | C49 | C50 | 179.9° | 179.9° |
| C46 | C48 | C49 | N16 | 0.1° | 0.2° |
| C46 | C48 | C49 | C51 | 180.0° | 180.0° |
| C46 | C48 | C50 | C52 | 180.0° | 179.9° |
| C46 | C48 | C50 | H78 | 0.0° | 0.1° |
| C47 | N16 | C49 | C48 | 0.1° | 0.0° |
| C47 | N16 | C49 | H77 | 180.0° | 179.7° |
| C47 | N16 | C49 | C51 | 179.9° | 179.8° |
| H76 | C47 | N16 | C49 | 180.0° | 179.9° |
| H76 | C47 | N16 | H77 | 0.0° | 0.2° |
| C48 | C49 | N16 | C51 | 179.9° | 179.8° |
| C48 | C49 | N16 | H77 | 179.9° | 179.8° |
| C49 | C48 | C50 | C52 | 0.1° | 0.0° |
| C49 | C48 | C50 | H78 | 179.9° | 180.0° |
| C48 | C49 | C51 | C53 | 0.1° | 0.0° |
| C48 | C49 | C51 | H79 | 179.9° | 180.0° |
| C50 | C48 | C49 | N16 | 180.0° | 179.9° |
| C50 | C48 | C49 | C51 | 0.1° | 0.1° |
| C48 | C50 | C52 | H78 | 180.0° | 180.0° |
| C48 | C50 | C52 | C53 | 0.1° | 0.1° |
| C48 | C50 | C52 | H80 | 179.9° | 179.9° |
| N16 | C49 | C51 | C53 | 180.0° | 179.8° |
| N16 | C49 | C51 | H79 | 0.1° | 0.3° |
| H77 | N16 | C49 | C51 | 0.0° | 0.0° |
| C49 | C51 | C53 | H79 | 180.0° | 179.9° |
| C49 | C51 | C53 | C52 | 0.1° | 0.1° |
| C49 | C51 | C53 | H81 | 180.0° | 180.0° |
| C50 | C52 | C53 | C51 | 0.0° | 0.1° |
| C50 | C52 | C53 | H80 | 180.0° | 179.9° |
| C50 | C52 | C53 | H81 | 180.0° | 180.0° |
| H78 | C50 | C52 | C53 | 179.9° | 179.9° |
| H78 | C50 | C52 | H80 | 0.1° | 0.0° |
| C51 | C53 | C52 | H81 | 180.0° | 179.9° |
| C51 | C53 | C52 | H80 | 179.9° | 180.0° |
| H79 | C51 | C53 | C52 | 180.0° | 179.9° |
| H79 | C51 | C53 | H81 | 0.0° | 0.0° |
| H80 | C52 | C53 | H81 | 0.0° | 0.1° |
| C54 | N17 | H82 | C44 | 180.0° | 179.8° |
| N17 | C54 | C55 | C58 | 117.6° | 119.4° |
| N17 | C54 | C55 | H83 | 121.7° | 120.6° |
| N17 | C54 | C58 | H83 | 119.3° | 120.5° |
| N17 | C54 | C55 | C56 | 73.2° | 65.0° |
| N17 | C54 | C55 | H84 | 166.2° | 55.0° |
| N17 | C54 | C55 | H85 | 47.3° | 175.0° |
| N17 | C54 | C58 | O10 | 49.3° | 2.0° |
| N17 | C54 | C58 | N19 | 131.7° | 177.8° |
| H82 | N17 | C54 | C55 | 123.7° | 98.4° |
| H82 | N17 | C54 | C58 | 3.4° | 21.0° |
| H82 | N17 | C54 | H83 | 115.2° | 141.3° |
| C55 | C54 | C58 | H83 | 120.6° | 119.9° |
| C54 | C55 | C56 | H84 | 120.6° | 120.0° |
| C54 | C55 | C56 | H85 | 120.6° | 120.0° |
| C54 | C55 | H84 | H85 | 118.3° | 120.0° |
| C54 | C55 | C56 | C57 | 146.3° | 180.0° |
| C54 | C55 | C56 | H86 | 26.1° | 60.0° |
| C54 | C55 | C56 | H87 | 93.5° | 60.0° |
| C55 | C54 | C58 | O10 | 70.7° | 117.5° |
| C55 | C54 | N17 | C44 | 56.3° | 81.4° |
| C55 | C54 | C58 | N19 | 108.2° | 62.7° |
| C58 | C54 | C55 | C56 | 44.4° | 175.6° |
| C58 | C54 | C55 | H84 | 76.1° | 64.4° |
| C58 | C54 | C55 | H85 | 165.0° | 55.6° |
| C54 | C58 | O10 | N19 | 178.9° | 179.8° |
| C54 | C58 | N19 | C59 | 177.5° | 174.3° |
| C54 | C58 | N19 | H92 | 2.5° | 6.0° |
| C58 | C54 | N17 | C44 | 176.6° | 159.2° |
| H83 | C54 | C55 | C56 | 165.1° | 55.6° |
| H83 | C54 | C55 | H84 | 44.5° | 175.6° |
| H83 | C54 | C55 | H85 | 74.4° | 64.4° |
| H83 | C54 | C58 | O10 | 168.6° | 122.6° |
| H83 | C54 | N17 | C44 | 64.8° | 38.9° |
| H83 | C54 | C58 | N19 | 12.4° | 57.2° |
| C56 | C55 | H84 | H85 | 118.3° | 120.0° |
| C55 | C56 | C57 | H86 | 120.2° | 120.0° |
| C55 | C56 | C57 | H87 | 120.2° | 120.0° |
| C55 | C56 | H86 | H87 | 119.4° | 120.0° |
| C55 | C56 | C57 | N18 | 134.4° | 180.0° |
| C55 | C56 | C57 | H88 | 105.7° | 60.0° |
| C55 | C56 | C57 | H89 | 14.4° | 60.0° |
| H84 | C55 | C56 | C57 | 93.2° | 60.0° |
| H84 | C55 | C56 | H86 | 146.6° | 180.0° |
| H84 | C55 | C56 | H87 | 27.0° | 60.0° |
| H85 | C55 | C56 | C57 | 25.7° | 60.0° |
| H85 | C55 | C56 | H86 | 94.5° | 60.0° |
| H85 | C55 | C56 | H87 | 145.9° | 180.0° |
| C57 | C56 | H86 | H87 | 119.4° | 120.0° |
| C56 | C57 | N18 | H88 | 120.0° | 120.0° |
| C56 | C57 | N18 | H89 | 120.0° | 120.0° |
| C56 | C57 | H88 | H89 | 120.1° | 120.0° |
| C56 | C57 | N18 | H90 | 180.0° | 179.9° |
| C56 | C57 | N18 | H91 | 60.0° | 56.0° |
| H86 | C56 | C57 | N18 | 14.2° | 60.0° |
| H86 | C56 | C57 | H88 | 134.1° | 180.0° |
| H86 | C56 | C57 | H89 | 105.8° | 60.0° |
| H87 | C56 | C57 | N18 | 105.4° | 60.0° |
| H87 | C56 | C57 | H88 | 14.5° | 60.0° |
| H87 | C56 | C57 | H89 | 134.6° | 180.0° |
| N18 | C57 | H88 | H89 | 120.1° | 120.0° |
| C57 | N18 | H90 | H91 | 120.0° | 124.0° |
| H88 | C57 | N18 | H90 | 60.0° | 60.0° |
| H88 | C57 | N18 | H91 | 180.0° | 176.1° |
| H89 | C57 | N18 | H90 | 60.0° | 60.0° |
| H89 | C57 | N18 | H91 | 60.0° | 63.9° |
| O10 | C58 | N19 | C59 | 1.4° | 5.9° |
| O10 | C58 | N19 | H92 | 178.6° | 173.8° |
| C59 | N19 | H92 | C58 | 180.0° | 179.8° |
| N19 | C59 | C60 | C61 | 121.2° | 119.5° |
| N19 | C59 | C60 | H93 | 119.2° | 120.0° |
| N19 | C59 | C61 | H93 | 123.2° | 121.4° |
| N19 | C59 | C60 | O11 | 19.6° | 46.3° |
| N19 | C59 | C61 | C62 | 137.0° | 65.0° |
| N19 | C59 | C61 | H94 | 16.5° | 55.0° |
| N19 | C59 | C61 | H95 | 102.6° | 175.0° |
| N19 | C59 | C60 | N21 | 162.5° | 133.8° |
| H92 | N19 | C59 | C60 | 54.4° | 59.1° |
| H92 | N19 | C59 | C61 | 64.5° | 60.2° |
| H92 | N19 | C59 | H93 | 173.0° | 178.6° |
| C60 | C59 | C61 | H93 | 119.6° | 120.3° |
| C59 | C60 | O11 | N21 | 177.8° | 179.9° |
| C60 | C59 | C61 | C62 | 105.9° | 176.6° |
| C60 | C59 | C61 | H94 | 133.6° | 63.3° |
| C60 | C59 | C61 | H95 | 14.6° | 56.6° |
| C59 | C60 | N21 | C63 | 177.7° | 172.0° |
| C59 | C60 | N21 | H100 | 2.3° | 7.7° |
| C60 | C59 | N19 | C58 | 125.5° | 121.1° |
| C61 | C59 | C60 | O11 | 101.5° | 73.2° |
| C59 | C61 | C62 | H94 | 120.5° | 120.0° |
| C59 | C61 | C62 | H95 | 120.5° | 120.0° |
| C59 | C61 | H94 | H95 | 118.5° | 120.0° |
| C59 | C61 | C62 | N20 | 157.1° | 180.0° |
| C59 | C61 | C62 | H96 | 37.2° | 60.0° |
| C59 | C61 | C62 | H97 | 82.9° | 60.0° |
| C61 | C59 | N19 | C58 | 115.5° | 119.5° |
| C61 | C59 | C60 | N21 | 76.3° | 106.7° |
| H93 | C59 | C60 | O11 | 138.8° | 166.3° |
| H93 | C59 | C61 | C62 | 13.8° | 56.4° |
| H93 | C59 | C61 | H94 | 106.7° | 176.4° |
| H93 | C59 | C61 | H95 | 134.3° | 63.6° |
| H93 | C59 | N19 | C58 | 7.0° | 1.7° |
| H93 | C59 | C60 | N21 | 43.3° | 13.8° |
| O11 | C60 | N21 | C63 | 0.0° | 8.1° |
| O11 | C60 | N21 | H100 | 180.0° | 172.2° |
| C62 | C61 | H94 | H95 | 118.5° | 120.0° |
| C61 | C62 | N20 | H96 | 119.9° | 120.1° |
| C61 | C62 | N20 | H97 | 120.0° | 119.9° |
| C61 | C62 | H96 | H97 | 120.1° | 120.0° |
| C61 | C62 | N20 | H98 | 180.0° | 180.0° |
| C61 | C62 | N20 | H99 | 60.0° | 56.0° |
| H94 | C61 | C62 | N20 | 82.4° | 60.0° |
| H94 | C61 | C62 | H96 | 157.7° | 180.0° |
| H94 | C61 | C62 | H97 | 37.6° | 60.0° |
| H95 | C61 | C62 | N20 | 36.7° | 60.0° |
| H95 | C61 | C62 | H96 | 83.3° | 60.0° |
| H95 | C61 | C62 | H97 | 156.6° | 180.0° |
| N20 | C62 | H96 | H97 | 120.2° | 120.0° |
| C62 | N20 | H98 | H99 | 120.0° | 123.9° |
| H96 | C62 | N20 | H98 | 60.1° | 60.0° |
| H96 | C62 | N20 | H99 | 179.9° | 176.1° |
| H97 | C62 | N20 | H98 | 60.0° | 60.1° |
| H97 | C62 | N20 | H99 | 60.0° | 63.9° |
| C63 | N21 | H100 | C60 | 180.0° | 179.7° |
| N21 | C63 | C64 | C65 | 121.8° | 119.9° |
| N21 | C63 | C64 | H101 | 118.8° | 120.5° |
| N21 | C63 | C65 | H101 | 118.9° | 120.1° |
| N21 | C63 | C64 | O12 | 31.4° | 0.4° |
| N21 | C63 | C65 | H102 | 180.0° | 60.0° |
| N21 | C63 | C65 | H103 | 60.0° | 180.0° |
| N21 | C63 | C65 | H104 | 60.0° | 60.0° |
| N21 | C63 | C64 | N22 | 148.6° | 179.6° |
| H100 | N21 | C63 | C64 | 76.4° | 31.8° |
| H100 | N21 | C63 | C65 | 47.2° | 88.3° |
| H100 | N21 | C63 | H101 | 165.4° | 151.8° |
| C64 | C63 | C65 | H101 | 119.4° | 119.4° |
| C63 | C64 | O12 | N22 | 180.0° | 180.0° |
| C64 | C63 | C65 | H102 | 58.3° | 60.5° |
| C64 | C63 | C65 | H103 | 178.3° | 59.5° |
| C64 | C63 | C65 | H104 | 61.7° | 179.5° |
| C63 | C64 | N22 | C66 | 180.0° | 177.6° |
| C63 | C64 | N22 | H105 | 0.0° | 1.5° |
| C64 | C63 | N21 | C60 | 103.6° | 148.5° |
| C65 | C63 | C64 | O12 | 90.4° | 119.5° |
| C63 | C65 | H102 | H103 | 120.0° | 119.9° |
| C63 | C65 | H102 | H104 | 120.0° | 120.0° |
| C63 | C65 | H103 | H104 | 120.0° | 120.0° |
| C65 | C63 | N21 | C60 | 132.8° | 91.4° |
| C65 | C63 | C64 | N22 | 89.6° | 60.5° |
| H101 | C63 | C64 | O12 | 150.2° | 120.9° |
| H101 | C63 | C65 | H102 | 61.1° | 179.9° |
| H101 | C63 | C65 | H103 | 58.9° | 59.9° |
| H101 | C63 | C65 | H104 | 178.9° | 60.1° |
| H101 | C63 | N21 | C60 | 14.6° | 28.5° |
| H101 | C63 | C64 | N22 | 29.8° | 59.1° |
| O12 | C64 | N22 | C66 | 0.0° | 2.4° |
| O12 | C64 | N22 | H105 | 180.0° | 178.5° |
| H102 | C65 | H103 | H104 | 120.0° | 120.1° |
| C66 | N22 | H105 | C64 | 180.0° | 179.0° |
| N22 | C66 | C67 | C68 | 124.0° | 117.8° |
| N22 | C66 | C67 | H106 | 117.4° | 120.7° |
| N22 | C66 | C68 | H106 | 118.0° | 120.8° |
| N22 | C66 | C67 | O13 | 87.0° | 6.2° |
| N22 | C66 | C68 | C69 | 137.2° | 65.0° |
| N22 | C66 | C68 | H107 | 16.9° | 55.0° |
| N22 | C66 | C68 | H108 | 102.6° | 175.0° |
| N22 | C66 | C67 | N24 | 92.9° | 173.4° |
| H105 | N22 | C66 | C67 | 18.0° | 34.8° |
| H105 | N22 | C66 | C68 | 107.8° | 83.8° |
| H105 | N22 | C66 | H106 | 134.8° | 155.6° |
| C67 | C66 | C68 | H106 | 118.6° | 121.6° |
| C66 | C67 | O13 | N24 | 179.9° | 179.7° |
| C67 | C66 | C68 | C69 | 99.4° | 177.4° |
| C67 | C66 | C68 | H107 | 140.3° | 62.6° |
| C67 | C66 | C68 | H108 | 20.8° | 57.4° |
| C66 | C67 | N24 | C72 | 172.3° | 171.3° |
| C66 | C67 | N24 | C75 | 15.5° | 8.0° |
| C67 | C66 | N22 | C64 | 161.9° | 146.1° |
| C68 | C66 | C67 | O13 | 37.0° | 111.6° |
| C66 | C68 | C69 | H107 | 120.2° | 119.9° |
| C66 | C68 | C69 | H108 | 120.3° | 120.0° |
| C66 | C68 | H107 | H108 | 119.3° | 120.0° |
| C66 | C68 | C69 | C70 | 108.3° | 180.0° |
| C66 | C68 | C69 | H109 | 131.5° | 60.0° |
| C66 | C68 | C69 | H110 | 11.9° | 60.0° |
| C68 | C66 | N22 | C64 | 72.2° | 95.3° |
| C68 | C66 | C67 | N24 | 143.1° | 68.7° |
| H106 | C66 | C67 | O13 | 155.7° | 126.9° |
| H106 | C66 | C68 | C69 | 19.2° | 55.8° |
| H106 | C66 | C68 | H107 | 101.0° | 175.8° |
| H106 | C66 | C68 | H108 | 139.4° | 64.2° |
| H106 | C66 | N22 | C64 | 45.1° | 25.4° |
| H106 | C66 | C67 | N24 | 24.4° | 52.7° |
| O13 | C67 | N24 | C72 | 7.8° | 9.0° |
| O13 | C67 | N24 | C75 | 164.4° | 171.7° |
| C69 | C68 | H107 | H108 | 119.3° | 120.1° |
| C68 | C69 | C70 | H109 | 120.2° | 120.0° |
| C68 | C69 | C70 | H110 | 120.2° | 120.0° |
| C68 | C69 | H109 | H110 | 119.3° | 120.0° |
| C68 | C69 | C70 | C71 | 170.3° | 180.0° |
| C68 | C69 | C70 | H111 | 50.0° | 60.0° |
| C68 | C69 | C70 | H112 | 69.5° | 60.0° |
| H107 | C68 | C69 | C70 | 11.9° | 60.1° |
| H107 | C68 | C69 | H109 | 108.3° | 180.0° |
| H107 | C68 | C69 | H110 | 132.1° | 59.9° |
| H108 | C68 | C69 | C70 | 131.4° | 60.0° |
| H108 | C68 | C69 | H109 | 11.2° | 60.0° |
| H108 | C68 | C69 | H110 | 108.3° | 180.0° |
| C70 | C69 | H109 | H110 | 119.3° | 120.0° |
| C69 | C70 | C71 | H111 | 120.2° | 120.0° |
| C69 | C70 | C71 | H112 | 120.2° | 120.0° |
| C69 | C70 | H111 | H112 | 119.3° | 120.0° |
| C69 | C70 | C71 | N23 | 149.9° | 180.0° |
| C69 | C70 | C71 | H113 | 29.8° | 60.0° |
| C69 | C70 | C71 | H114 | 89.9° | 60.0° |
| H109 | C69 | C70 | C71 | 69.5° | 59.9° |
| H109 | C69 | C70 | H111 | 170.3° | 179.9° |
| H109 | C69 | C70 | H112 | 50.7° | 60.0° |
| H110 | C69 | C70 | C71 | 50.1° | 60.0° |
| H110 | C69 | C70 | H111 | 70.2° | 60.0° |
| H110 | C69 | C70 | H112 | 170.3° | 180.0° |
| C71 | C70 | H111 | H112 | 119.3° | 120.0° |
| C70 | C71 | N23 | H113 | 120.2° | 120.1° |
| C70 | C71 | N23 | H114 | 120.1° | 119.9° |
| C70 | C71 | H113 | H114 | 119.5° | 120.0° |
| C70 | C71 | N23 | H115 | 180.0° | 180.0° |
| C70 | C71 | N23 | H116 | 60.0° | 59.9° |
| C70 | C71 | N23 | H117 | 60.0° | 60.0° |
| H111 | C70 | C71 | N23 | 89.8° | 60.0° |
| H111 | C70 | C71 | H113 | 150.0° | 180.0° |
| H111 | C70 | C71 | H114 | 30.3° | 60.0° |
| H112 | C70 | C71 | N23 | 29.7° | 60.1° |
| H112 | C70 | C71 | H113 | 90.4° | 60.0° |
| H112 | C70 | C71 | H114 | 149.9° | 180.0° |
| N23 | C71 | H113 | H114 | 119.6° | 120.0° |
| C71 | N23 | H115 | H116 | 120.0° | 120.1° |
| C71 | N23 | H115 | H117 | 120.0° | 119.9° |
| C71 | N23 | H116 | H117 | 119.9° | 120.0° |
| H113 | C71 | N23 | H115 | 59.9° | 59.9° |
| H113 | C71 | N23 | H116 | 179.9° | 180.0° |
| H113 | C71 | N23 | H117 | 60.2° | 60.0° |
| H114 | C71 | N23 | H115 | 59.8° | 60.1° |
| H114 | C71 | N23 | H116 | 60.2° | 60.0° |
| H114 | C71 | N23 | H117 | 179.9° | 180.0° |
| H115 | N23 | H116 | H117 | 120.0° | 120.0° |
| C72 | N24 | C75 | C67 | 172.8° | 179.4° |
| N24 | C72 | C73 | C76 | 124.5° | 118.9° |
| N24 | C72 | C73 | H118 | 114.2° | 119.2° |
| N24 | C72 | C76 | H118 | 122.3° | 121.5° |
| N24 | C72 | C73 | C74 | 32.8° | 15.2° |
| N24 | C72 | C73 | H119 | 86.5° | 103.1° |
| N24 | C72 | C73 | H120 | 152.1° | 134.8° |
| C72 | N24 | C75 | C74 | 4.4° | 31.1° |
| C72 | N24 | C75 | H123 | 123.4° | 87.4° |
| C72 | N24 | C75 | H124 | 114.7° | 150.5° |
| N24 | C72 | C76 | O14 | 74.4° | 0.1° |
| N24 | C72 | C76 | N25 | 106.8° | 179.3° |
| C75 | N24 | C72 | C73 | 17.7° | 28.9° |
| C75 | N24 | C72 | C76 | 106.8° | 90.1° |
| C75 | N24 | C72 | H118 | 131.5° | 148.2° |
| N24 | C75 | C74 | C73 | 25.1° | 20.8° |
| N24 | C75 | C74 | H123 | 119.1° | 118.4° |
| N24 | C75 | C74 | H124 | 119.1° | 120.3° |
| N24 | C75 | C74 | H121 | 144.3° | 97.3° |
| N24 | C75 | C74 | H122 | 94.1° | 140.3° |
| N24 | C75 | H123 | H124 | 122.8° | 122.6° |
| C73 | C72 | C76 | H118 | 121.5° | 121.7° |
| C72 | C73 | C74 | H119 | 119.3° | 118.2° |
| C72 | C73 | C74 | H120 | 119.3° | 119.7° |
| C72 | C73 | H119 | H120 | 122.1° | 122.1° |
| C72 | C73 | C74 | C75 | 37.0° | 3.3° |
| C72 | C73 | C74 | H121 | 156.1° | 114.6° |
| C72 | C73 | C74 | H122 | 82.2° | 122.8° |
| C73 | C72 | C76 | O14 | 41.8° | 116.9° |
| C73 | C72 | N24 | C67 | 169.4° | 150.5° |
| C73 | C72 | C76 | N25 | 137.0° | 63.9° |
| C76 | C72 | C73 | C74 | 91.7° | 103.7° |
| C76 | C72 | C73 | H119 | 149.0° | 138.0° |
| C76 | C72 | C73 | H120 | 27.6° | 15.9° |
| C72 | C76 | O14 | N25 | 178.8° | 179.2° |
| C72 | C76 | N25 | C77 | 171.4° | 172.3° |
| C72 | C76 | N25 | C81 | 4.9° | 7.8° |
| C76 | C72 | N24 | C67 | 66.1° | 90.5° |
| H118 | C72 | C73 | C74 | 147.0° | 134.4° |
| H118 | C72 | C73 | H119 | 27.7° | 16.2° |
| H118 | C72 | C73 | H120 | 93.7° | 106.0° |
| H118 | C72 | C76 | O14 | 163.3° | 121.4° |
| H118 | C72 | N24 | C67 | 55.6° | 31.2° |
| H118 | C72 | C76 | N25 | 15.5° | 57.8° |
| C74 | C73 | H119 | H120 | 122.0° | 122.0° |
| C73 | C74 | C75 | H121 | 119.2° | 118.1° |
| C73 | C74 | C75 | H122 | 119.2° | 119.5° |
| C73 | C74 | H121 | H122 | 122.5° | 122.6° |
| C73 | C74 | C75 | H123 | 144.1° | 97.6° |
| C73 | C74 | C75 | H124 | 94.0° | 141.1° |
| H119 | C73 | C74 | C75 | 82.3° | 121.5° |
| H119 | C73 | C74 | H121 | 36.8° | 3.6° |
| H119 | C73 | C74 | H122 | 158.5° | 119.0° |
| H120 | C73 | C74 | C75 | 156.3° | 116.3° |
| H120 | C73 | C74 | H121 | 84.6° | 125.8° |
| H120 | C73 | C74 | H122 | 37.1° | 3.1° |
| C75 | C74 | H121 | H122 | 122.5° | 122.3° |
| C74 | C75 | H123 | H124 | 122.8° | 121.1° |
| C74 | C75 | N24 | C67 | 168.4° | 148.3° |
| H121 | C74 | C75 | H123 | 96.7° | 144.3° |
| H121 | C74 | C75 | H124 | 25.2° | 22.9° |
| H122 | C74 | C75 | H123 | 25.0° | 21.9° |
| H122 | C74 | C75 | H124 | 146.9° | 99.4° |
| H123 | C75 | N24 | C67 | 49.4° | 93.2° |
| H124 | C75 | N24 | C67 | 72.5° | 28.9° |
| O14 | C76 | N25 | C77 | 7.4° | 8.4° |
| O14 | C76 | N25 | C81 | 173.9° | 171.4° |
| C77 | N25 | C81 | C76 | 167.3° | 179.9° |
| N25 | C77 | C78 | C79 | 118.3° | 116.2° |
| N25 | C77 | C78 | H125 | 122.2° | 122.8° |
| N25 | C77 | C79 | H125 | 113.2° | 120.0° |
| N25 | C77 | C78 | O15 | 158.7° | 49.1° |
| N25 | C77 | C79 | C80 | 26.4° | 23.0° |
| N25 | C77 | C79 | H126 | 145.9° | 141.8° |
| N25 | C77 | C79 | H127 | 93.1° | 95.6° |
| C77 | N25 | C81 | C80 | 11.3° | 24.2° |
| C77 | N25 | C81 | H130 | 107.6° | 144.0° |
| C77 | N25 | C81 | H131 | 130.1° | 94.7° |
| N25 | C77 | C78 | N1 | 3.6° | 130.8° |
| C81 | N25 | C77 | C78 | 116.2° | 88.2° |
| C81 | N25 | C77 | C79 | 9.4° | 29.6° |
| C81 | N25 | C77 | H125 | 122.1° | 149.1° |
| N25 | C81 | C80 | C79 | 27.3° | 9.3° |
| N25 | C81 | C80 | H130 | 118.9° | 119.9° |
| N25 | C81 | C80 | H131 | 118.8° | 118.8° |
| N25 | C81 | C80 | H128 | 91.9° | 128.3° |
| N25 | C81 | C80 | H129 | 146.5° | 109.9° |
| N25 | C81 | H130 | H131 | 123.3° | 120.9° |
| C78 | C77 | C79 | H125 | 119.4° | 121.5° |
| C77 | C78 | O15 | N1 | 152.5° | 179.9° |
| C78 | C77 | C79 | C80 | 101.0° | 95.5° |
| C78 | C77 | C79 | H126 | 18.5° | 23.3° |
| C78 | C77 | C79 | H127 | 139.6° | 145.9° |
| C78 | C77 | N25 | C76 | 76.6° | 91.7° |
| C79 | C77 | C78 | O15 | 40.4° | 67.1° |
| C77 | C79 | C80 | H126 | 119.4° | 118.9° |
| C77 | C79 | C80 | H127 | 119.4° | 118.6° |
| C77 | C79 | H126 | H127 | 121.6° | 122.4° |
| C77 | C79 | C80 | C81 | 34.5° | 8.3° |
| C77 | C79 | C80 | H128 | 84.7° | 110.9° |
| C77 | C79 | C80 | H129 | 153.7° | 127.4° |
| C79 | C77 | C78 | N1 | 114.7° | 113.0° |
| C79 | C77 | N25 | C76 | 157.9° | 150.5° |
| H125 | C77 | C78 | O15 | 79.1° | 171.8° |
| H125 | C77 | C79 | C80 | 139.6° | 142.9° |
| H125 | C77 | C79 | H126 | 100.9° | 98.2° |
| H125 | C77 | C79 | H127 | 20.2° | 24.3° |
| H125 | C77 | C78 | N1 | 125.9° | 8.1° |
| H125 | C77 | N25 | C76 | 45.2° | 31.0° |
| C80 | C79 | H126 | H127 | 121.7° | 122.2° |
| C79 | C80 | C81 | H128 | 119.2° | 119.1° |
| C79 | C80 | C81 | H129 | 119.2° | 119.2° |
| C79 | C80 | H128 | H129 | 122.3° | 121.6° |
| C79 | C80 | C81 | H130 | 91.6° | 129.1° |
| C79 | C80 | C81 | H131 | 146.1° | 109.6° |
| H126 | C79 | C80 | C81 | 153.9° | 127.2° |
| H126 | C79 | C80 | H128 | 34.7° | 8.0° |
| H126 | C79 | C80 | H129 | 86.9° | 113.7° |
| H127 | C79 | C80 | C81 | 85.0° | 110.4° |
| H127 | C79 | C80 | H128 | 155.8° | 130.5° |
| H127 | C79 | C80 | H129 | 34.2° | 8.8° |
| C81 | C80 | H128 | H129 | 122.3° | 121.7° |
| C80 | C81 | H130 | H131 | 123.2° | 121.1° |
| C80 | C81 | N25 | C76 | 178.6° | 155.9° |
| H128 | C80 | C81 | H130 | 149.2° | 111.8° |
| H128 | C80 | C81 | H131 | 27.0° | 9.5° |
| H129 | C80 | C81 | H130 | 27.7° | 10.0° |
| H129 | C80 | C81 | H131 | 94.6° | 131.3° |
| H130 | C81 | N25 | C76 | 59.7° | 36.2° |
| H131 | C81 | N25 | C76 | 62.6° | 85.2° |
