PRD_002514
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 0.00Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C2 | H1 | sing | 1.09Å | 0.00Å | |
| C2 | H2 | sing | 1.09Å | 0.00Å | |
| C2 | H3 | sing | 1.09Å | 0.00Å | |
| N1 | C3 | sing | 1.47Å | 1.47Å | |
| N1 | C6 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.54Å | 1.53Å | |
| C3 | C7 | sing | 1.51Å | 1.53Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.55Å | 1.49Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.55Å | 1.51Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | O2 | doub | 1.21Å | 1.23Å | |
| N2 | C8 | sing | 1.47Å | 1.46Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C13 | sing | 1.51Å | 1.53Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C12 | sing | 1.53Å | 1.52Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | O3 | doub | 1.21Å | 1.23Å | |
| N3 | C14 | sing | 1.46Å | 1.46Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | O4 | doub | 1.21Å | 1.23Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | O5 | doub | 1.21Å | 1.25Å | |
| C17 | O6 | sing | 1.34Å | 1.25Å | |
| O6 | H26 | sing | 0.97Å | 0.95Å | |
| N4 | C18 | sing | 1.47Å | 1.46Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C23 | sing | 1.51Å | 1.52Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C22 | sing | 1.53Å | 1.52Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | O7 | doub | 1.21Å | 1.23Å | |
| N5 | C24 | sing | 1.47Å | 1.46Å | |
| N5 | H38 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | O8 | doub | 1.21Å | 1.23Å | |
| C26 | S1 | sing | 1.81Å | 1.81Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| S1 | H42 | sing | 1.34Å | 1.30Å | |
| N6 | C27 | sing | 1.47Å | 1.46Å | |
| N6 | H43 | sing | 0.97Å | 1.00Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | H44 | sing | 1.09Å | 1.10Å | |
| C28 | O9 | doub | 1.21Å | 1.23Å | |
| C29 | C30 | sing | 1.51Å | 1.51Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | H47 | sing | 1.08Å | 1.08Å | |
| C32 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | H48 | sing | 1.08Å | 1.08Å | |
| C33 | C35 | doub | 1.39Å | 1.38Å | Aromatic |
| C33 | H49 | sing | 1.08Å | 1.08Å | |
| C34 | C35 | sing | 1.39Å | 1.38Å | Aromatic |
| C34 | H50 | sing | 1.08Å | 1.08Å | |
| C35 | O10 | sing | 1.36Å | 1.37Å | |
| O10 | H51 | sing | 0.97Å | 0.95Å | |
| N7 | C36 | sing | 1.46Å | 1.46Å | |
| N7 | H52 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | C46 | sing | 1.51Å | 1.52Å | |
| C36 | H53 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.51Å | 1.49Å | |
| C37 | H54 | sing | 1.09Å | 1.10Å | |
| C37 | H55 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | doub | 1.34Å | 1.36Å | Aromatic |
| C38 | C45 | sing | 1.46Å | 1.43Å | Aromatic |
| C39 | N8 | sing | 1.37Å | 1.37Å | Aromatic |
| C39 | H56 | sing | 1.08Å | 1.08Å | |
| N8 | C40 | sing | 1.38Å | 1.37Å | Aromatic |
| N8 | H57 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | doub | 1.39Å | 1.39Å | Aromatic |
| C40 | C45 | sing | 1.41Å | 1.41Å | Aromatic |
| C41 | C42 | sing | 1.38Å | 1.37Å | Aromatic |
| C41 | H58 | sing | 1.08Å | 1.08Å | |
| C42 | C43 | doub | 1.39Å | 1.40Å | Aromatic |
| C42 | H59 | sing | 1.08Å | 1.08Å | |
| C43 | C44 | sing | 1.37Å | 1.38Å | Aromatic |
| C43 | H60 | sing | 1.08Å | 1.08Å | |
| C44 | C45 | doub | 1.40Å | 1.40Å | Aromatic |
| C44 | H61 | sing | 1.08Å | 1.08Å | |
| C46 | O11 | doub | 1.21Å | 1.23Å | |
| N9 | C47 | sing | 1.47Å | 1.46Å | |
| N9 | H62 | sing | 0.97Å | 1.00Å | |
| C47 | C48 | sing | 1.53Å | 1.51Å | |
| C47 | C49 | sing | 1.51Å | 1.52Å | |
| C47 | H63 | sing | 1.09Å | 1.10Å | |
| C48 | H64 | sing | 1.09Å | 1.10Å | |
| C48 | H65 | sing | 1.09Å | 1.10Å | |
| C48 | H66 | sing | 1.09Å | 1.10Å | |
| C49 | O12 | doub | 1.21Å | 1.23Å | |
| N10 | C50 | sing | 1.46Å | 1.46Å | |
| N10 | H67 | sing | 0.97Å | 1.00Å | |
| C50 | C51 | sing | 1.51Å | 1.52Å | |
| C50 | C52 | sing | 1.53Å | 1.53Å | |
| C50 | H68 | sing | 1.09Å | 1.10Å | |
| C51 | O13 | doub | 1.21Å | 1.23Å | |
| C52 | O14 | sing | 1.43Å | 1.42Å | |
| C52 | H69 | sing | 1.09Å | 1.10Å | |
| C52 | H70 | sing | 1.09Å | 1.10Å | |
| O14 | H71 | sing | 0.97Å | 0.95Å | |
| N11 | C53 | sing | 1.47Å | 1.46Å | |
| N11 | H72 | sing | 0.97Å | 1.00Å | |
| C53 | C54 | sing | 1.53Å | 1.53Å | |
| C53 | C58 | sing | 1.51Å | 1.53Å | |
| C53 | H73 | sing | 1.09Å | 1.10Å | |
| C54 | C55 | sing | 1.53Å | 1.53Å | |
| C54 | H74 | sing | 1.09Å | 1.10Å | |
| C54 | H75 | sing | 1.09Å | 1.10Å | |
| C55 | C56 | sing | 1.53Å | 1.52Å | |
| C55 | C57 | sing | 1.53Å | 1.52Å | |
| C55 | H76 | sing | 1.09Å | 1.10Å | |
| C56 | H77 | sing | 1.09Å | 1.10Å | |
| C56 | H78 | sing | 1.09Å | 1.10Å | |
| C56 | H79 | sing | 1.09Å | 1.10Å | |
| C57 | H80 | sing | 1.09Å | 1.10Å | |
| C57 | H81 | sing | 1.09Å | 1.10Å | |
| C57 | H82 | sing | 1.09Å | 1.10Å | |
| C58 | O15 | doub | 1.21Å | 1.23Å | |
| N12 | C59 | sing | 1.47Å | 1.46Å | |
| N12 | H83 | sing | 0.97Å | 1.00Å | |
| C59 | C60 | sing | 1.51Å | 1.52Å | |
| C59 | C61 | sing | 1.53Å | 1.53Å | |
| C59 | H84 | sing | 1.09Å | 1.10Å | |
| C60 | O16 | doub | 1.21Å | 1.23Å | |
| C61 | C62 | sing | 1.51Å | 1.50Å | |
| C61 | H85 | sing | 1.09Å | 1.10Å | |
| C61 | H86 | sing | 1.09Å | 1.10Å | |
| C62 | N13 | sing | 1.34Å | 1.38Å | Aromatic |
| C62 | C63 | doub | 1.35Å | 1.35Å | Aromatic |
| N13 | C64 | doub | 1.31Å | 1.32Å | Aromatic |
| N13 | H87 | sing | 0.97Å | 1.00Å | |
| C63 | N14 | sing | 1.37Å | 1.37Å | Aromatic |
| C63 | H88 | sing | 1.08Å | 1.08Å | |
| C64 | N14 | sing | 1.35Å | 1.32Å | Aromatic |
| C64 | H89 | sing | 1.08Å | 1.08Å | |
| N14 | H90 | sing | 0.97Å | 1.00Å | |
| N15 | C65 | sing | 1.46Å | 1.46Å | |
| N15 | H91 | sing | 0.97Å | 1.00Å | |
| C65 | C66 | sing | 1.51Å | 1.53Å | |
| C65 | C67 | sing | 1.53Å | 1.53Å | |
| C65 | H92 | sing | 1.09Å | 1.10Å | |
| C66 | O17 | doub | 1.21Å | 1.23Å | |
| C67 | S2 | sing | 1.81Å | 1.80Å | |
| C67 | H93 | sing | 1.09Å | 1.10Å | |
| C67 | H94 | sing | 1.09Å | 1.10Å | |
| S2 | H95 | sing | 1.34Å | 1.30Å | |
| N16 | C68 | sing | 1.47Å | 1.46Å | |
| N16 | H96 | sing | 0.97Å | 1.00Å | |
| C68 | C69 | sing | 1.51Å | 1.53Å | |
| C68 | C70 | sing | 1.53Å | 1.54Å | |
| C68 | H97 | sing | 1.09Å | 1.10Å | |
| C69 | O18 | doub | 1.21Å | 1.23Å | |
| C70 | C71 | sing | 1.53Å | 1.53Å | |
| C70 | C72 | sing | 1.53Å | 1.52Å | |
| C70 | H98 | sing | 1.09Å | 1.10Å | |
| C71 | C73 | sing | 1.53Å | 1.52Å | |
| C71 | H99 | sing | 1.09Å | 1.10Å | |
| C71 | H100 | sing | 1.09Å | 1.10Å | |
| C72 | H101 | sing | 1.09Å | 1.10Å | |
| C72 | H102 | sing | 1.09Å | 1.10Å | |
| C72 | H103 | sing | 1.09Å | 1.10Å | |
| C73 | H104 | sing | 1.09Å | 1.10Å | |
| C73 | H105 | sing | 1.09Å | 1.10Å | |
| C73 | H106 | sing | 1.09Å | 1.10Å | |
| N17 | C74 | sing | 1.46Å | 1.46Å | |
| N17 | H107 | sing | 0.97Å | 1.00Å | |
| C74 | C75 | sing | 1.53Å | 1.55Å | |
| C74 | C78 | sing | 1.51Å | 1.53Å | |
| C74 | H108 | sing | 1.09Å | 1.10Å | |
| C75 | C76 | sing | 1.53Å | 1.52Å | |
| C75 | C77 | sing | 1.53Å | 1.52Å | |
| C75 | H109 | sing | 1.09Å | 1.10Å | |
| C76 | H110 | sing | 1.09Å | 1.10Å | |
| C76 | H111 | sing | 1.09Å | 1.10Å | |
| C76 | H112 | sing | 1.09Å | 1.10Å | |
| C77 | H113 | sing | 1.09Å | 1.10Å | |
| C77 | H114 | sing | 1.09Å | 1.10Å | |
| C77 | H115 | sing | 1.09Å | 1.10Å | |
| C78 | O19 | doub | 1.21Å | 1.23Å | |
| N18 | C79 | sing | 1.47Å | 1.46Å | |
| N18 | H116 | sing | 0.97Å | 1.00Å | |
| C79 | C80 | sing | 1.51Å | 1.53Å | |
| C79 | C81 | sing | 1.53Å | 1.53Å | |
| C79 | H117 | sing | 1.09Å | 1.10Å | |
| C80 | O20 | doub | 1.21Å | 1.23Å | |
| C81 | O21 | sing | 1.43Å | 1.42Å | |
| C81 | H118 | sing | 1.09Å | 1.10Å | |
| C81 | H119 | sing | 1.09Å | 1.10Å | |
| O21 | H120 | sing | 0.97Å | 0.95Å | |
| N19 | H121 | sing | 0.97Å | 1.00Å | |
| N19 | H122 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 9.38Å | |
| C7 | N2 | sing | 1.35Å | 1.33Å | |
| C13 | N3 | sing | 1.35Å | 1.33Å | |
| C15 | N4 | sing | 1.35Å | 1.33Å | |
| C23 | N5 | sing | 1.35Å | 1.33Å | |
| C25 | N6 | sing | 1.35Å | 1.33Å | |
| C28 | N7 | sing | 1.35Å | 1.33Å | |
| C46 | N9 | sing | 1.35Å | 1.33Å | |
| C49 | N10 | sing | 1.35Å | 1.33Å | |
| C51 | N11 | sing | 1.35Å | 1.33Å | |
| C58 | N12 | sing | 1.35Å | 1.33Å | |
| C60 | N15 | sing | 1.35Å | 1.33Å | |
| C66 | N16 | sing | 1.35Å | 1.33Å | |
| C69 | N17 | sing | 1.35Å | 1.33Å | |
| C78 | N18 | sing | 1.35Å | 1.33Å | |
| C80 | N19 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 90.0° | 120.0° |
| O1 | C1 | N1 | 90.0° | 120.0° |
| C1 | C2 | H1 | 90.0° | 109.5° |
| C1 | C2 | H2 | 90.0° | 109.5° |
| C1 | C2 | H3 | 90.0° | 109.5° |
| C2 | C1 | N1 | 90.0° | 120.0° |
| H1 | C2 | H2 | 90.0° | 109.4° |
| H1 | C2 | H3 | 90.0° | 109.5° |
| H2 | C2 | H3 | 90.0° | 109.5° |
| C3 | N1 | C6 | 111.8° | 108.7° |
| N1 | C3 | C4 | 102.8° | 107.3° |
| N1 | C3 | C7 | 113.1° | 109.9° |
| N1 | C3 | H4 | 110.6° | 109.9° |
| C3 | N1 | C1 | 113.3° | 125.7° |
| N1 | C6 | C5 | 103.4° | 104.7° |
| N1 | C6 | H9 | 111.0° | 110.3° |
| N1 | C6 | H10 | 111.0° | 110.3° |
| C6 | N1 | C1 | 51.0° | 125.7° |
| C4 | C3 | C7 | 110.7° | 109.9° |
| C4 | C3 | H4 | 109.7° | 109.9° |
| C3 | C4 | C5 | 103.7° | 102.9° |
| C3 | C4 | H5 | 110.9° | 110.7° |
| C3 | C4 | H6 | 110.9° | 110.7° |
| C7 | C3 | H4 | 109.7° | 110.0° |
| C3 | C7 | O2 | 119.0° | 120.0° |
| C3 | C7 | N2 | 117.6° | 120.0° |
| C5 | C4 | H5 | 110.9° | 110.7° |
| C5 | C4 | H6 | 110.9° | 110.8° |
| C4 | C5 | C6 | 106.4° | 101.5° |
| C4 | C5 | H7 | 110.3° | 111.0° |
| C4 | C5 | H8 | 110.3° | 111.0° |
| H5 | C4 | H6 | 109.4° | 110.8° |
| C6 | C5 | H7 | 110.2° | 111.2° |
| C6 | C5 | H8 | 110.2° | 110.8° |
| C5 | C6 | H9 | 110.9° | 110.5° |
| C5 | C6 | H10 | 110.9° | 110.3° |
| H7 | C5 | H8 | 109.5° | 110.9° |
| H9 | C6 | H10 | 109.5° | 110.5° |
| O2 | C7 | N2 | 123.4° | 120.0° |
| C8 | N2 | H11 | 119.0° | 120.0° |
| N2 | C8 | C9 | 110.4° | 109.4° |
| N2 | C8 | C13 | 110.9° | 109.5° |
| N2 | C8 | H12 | 109.0° | 109.5° |
| C8 | N2 | C7 | 122.0° | 120.0° |
| H11 | N2 | C7 | 119.0° | 120.0° |
| C9 | C8 | C13 | 110.3° | 109.5° |
| C9 | C8 | H12 | 108.0° | 109.5° |
| C8 | C9 | C10 | 118.9° | 109.5° |
| C8 | C9 | H13 | 107.0° | 109.5° |
| C8 | C9 | H14 | 107.1° | 109.5° |
| C13 | C8 | H12 | 108.1° | 109.5° |
| C8 | C13 | O3 | 120.9° | 120.0° |
| C8 | C13 | N3 | 116.1° | 120.0° |
| C10 | C9 | H13 | 107.1° | 109.4° |
| C10 | C9 | H14 | 107.1° | 109.5° |
| C9 | C10 | C11 | 110.9° | 109.5° |
| C9 | C10 | C12 | 112.8° | 109.5° |
| C9 | C10 | H15 | 107.3° | 109.4° |
| H13 | C9 | H14 | 109.5° | 109.5° |
| C11 | C10 | C12 | 110.8° | 109.5° |
| C11 | C10 | H15 | 107.4° | 109.5° |
| C10 | C11 | H16 | 109.5° | 109.5° |
| C10 | C11 | H17 | 109.5° | 109.4° |
| C10 | C11 | H18 | 109.5° | 109.4° |
| C12 | C10 | H15 | 107.4° | 109.5° |
| C10 | C12 | H19 | 109.5° | 109.5° |
| C10 | C12 | H20 | 109.5° | 109.5° |
| C10 | C12 | H21 | 109.4° | 109.4° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H16 | C11 | H18 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.4° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| H19 | C12 | H21 | 109.5° | 109.4° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| O3 | C13 | N3 | 123.0° | 120.0° |
| C14 | N3 | H22 | 119.2° | 120.0° |
| N3 | C14 | C15 | 111.6° | 109.6° |
| N3 | C14 | C16 | 110.6° | 109.4° |
| N3 | C14 | H23 | 108.9° | 109.5° |
| C14 | N3 | C13 | 121.6° | 120.0° |
| H22 | N3 | C13 | 119.2° | 120.0° |
| C15 | C14 | C16 | 109.6° | 109.5° |
| C15 | C14 | H23 | 108.0° | 109.5° |
| C14 | C15 | O4 | 120.6° | 119.9° |
| C14 | C15 | N4 | 116.6° | 120.0° |
| C16 | C14 | H23 | 108.0° | 109.4° |
| C14 | C16 | C17 | 112.5° | 109.5° |
| C14 | C16 | H24 | 108.7° | 109.5° |
| C14 | C16 | H25 | 108.7° | 109.5° |
| O4 | C15 | N4 | 122.8° | 120.0° |
| C17 | C16 | H24 | 108.7° | 109.5° |
| C17 | C16 | H25 | 108.7° | 109.5° |
| C16 | C17 | O5 | 118.4° | 120.0° |
| C16 | C17 | O6 | 118.4° | 120.0° |
| H24 | C16 | H25 | 109.5° | 109.4° |
| O5 | C17 | O6 | 123.2° | 120.1° |
| C17 | O6 | H26 | 109.5° | 117.0° |
| C18 | N4 | H27 | 119.2° | 120.0° |
| N4 | C18 | C19 | 110.7° | 109.4° |
| N4 | C18 | C23 | 110.2° | 109.4° |
| N4 | C18 | H28 | 109.2° | 109.5° |
| C18 | N4 | C15 | 121.6° | 120.0° |
| H27 | N4 | C15 | 119.2° | 120.1° |
| C19 | C18 | C23 | 110.1° | 109.4° |
| C19 | C18 | H28 | 108.3° | 109.5° |
| C18 | C19 | C20 | 116.2° | 109.5° |
| C18 | C19 | H29 | 107.7° | 109.4° |
| C18 | C19 | H30 | 107.8° | 109.5° |
| C23 | C18 | H28 | 108.3° | 109.5° |
| C18 | C23 | O7 | 120.9° | 120.0° |
| C18 | C23 | N5 | 115.8° | 120.0° |
| C20 | C19 | H29 | 107.8° | 109.4° |
| C20 | C19 | H30 | 107.8° | 109.4° |
| C19 | C20 | C21 | 110.7° | 109.5° |
| C19 | C20 | C22 | 110.7° | 109.5° |
| C19 | C20 | H31 | 108.1° | 109.4° |
| H29 | C19 | H30 | 109.5° | 109.5° |
| C21 | C20 | C22 | 110.8° | 109.5° |
| C21 | C20 | H31 | 108.3° | 109.4° |
| C20 | C21 | H32 | 109.5° | 109.5° |
| C20 | C21 | H33 | 109.4° | 109.5° |
| C20 | C21 | H34 | 109.5° | 109.5° |
| C22 | C20 | H31 | 108.3° | 109.5° |
| C20 | C22 | H35 | 109.5° | 109.4° |
| C20 | C22 | H36 | 109.5° | 109.5° |
| C20 | C22 | H37 | 109.5° | 109.4° |
| H32 | C21 | H33 | 109.5° | 109.5° |
| H32 | C21 | H34 | 109.5° | 109.5° |
| H33 | C21 | H34 | 109.5° | 109.4° |
| H35 | C22 | H36 | 109.5° | 109.5° |
| H35 | C22 | H37 | 109.5° | 109.5° |
| H36 | C22 | H37 | 109.5° | 109.5° |
| O7 | C23 | N5 | 123.3° | 120.1° |
| C24 | N5 | H38 | 118.8° | 120.0° |
| N5 | C24 | C25 | 112.4° | 109.4° |
| N5 | C24 | C26 | 110.4° | 109.5° |
| N5 | C24 | H39 | 108.6° | 109.5° |
| C24 | N5 | C23 | 122.4° | 120.0° |
| H38 | N5 | C23 | 118.8° | 120.0° |
| C25 | C24 | C26 | 109.8° | 109.5° |
| C25 | C24 | H39 | 107.8° | 109.5° |
| C24 | C25 | O8 | 120.5° | 120.0° |
| C24 | C25 | N6 | 116.5° | 120.0° |
| C26 | C24 | H39 | 107.8° | 109.5° |
| C24 | C26 | S1 | 114.8° | 109.5° |
| C24 | C26 | H40 | 108.1° | 109.4° |
| C24 | C26 | H41 | 108.1° | 109.5° |
| O8 | C25 | N6 | 123.0° | 120.0° |
| S1 | C26 | H40 | 108.2° | 109.5° |
| S1 | C26 | H41 | 108.1° | 109.4° |
| C26 | S1 | H42 | 102.0° | 103.0° |
| H40 | C26 | H41 | 109.4° | 109.5° |
| C27 | N6 | H43 | 119.3° | 120.0° |
| N6 | C27 | C28 | 112.2° | 109.5° |
| N6 | C27 | C29 | 111.4° | 109.5° |
| N6 | C27 | H44 | 108.4° | 109.5° |
| C27 | N6 | C25 | 121.4° | 120.0° |
| H43 | N6 | C25 | 119.3° | 120.0° |
| C28 | C27 | C29 | 109.6° | 109.4° |
| C28 | C27 | H44 | 107.6° | 109.5° |
| C27 | C28 | O9 | 120.6° | 120.0° |
| C27 | C28 | N7 | 116.4° | 120.0° |
| C29 | C27 | H44 | 107.5° | 109.5° |
| C27 | C29 | C30 | 112.6° | 109.5° |
| C27 | C29 | H45 | 108.7° | 109.5° |
| C27 | C29 | H46 | 108.7° | 109.5° |
| O9 | C28 | N7 | 123.0° | 120.0° |
| C30 | C29 | H45 | 108.7° | 109.5° |
| C30 | C29 | H46 | 108.7° | 109.4° |
| C29 | C30 | C31 | 121.0° | 119.9° |
| C29 | C30 | C32 | 120.9° | 120.0° |
| H45 | C29 | H46 | 109.5° | 109.5° |
| C31 | C30 | C32 | 118.1° | 120.1° |
| C30 | C31 | C33 | 121.2° | 120.0° |
| C30 | C31 | H47 | 119.4° | 120.0° |
| C30 | C32 | C34 | 121.1° | 120.1° |
| C30 | C32 | H48 | 119.4° | 120.0° |
| C33 | C31 | H47 | 119.4° | 120.0° |
| C31 | C33 | C35 | 119.6° | 119.9° |
| C31 | C33 | H49 | 120.2° | 120.0° |
| C34 | C32 | H48 | 119.4° | 119.9° |
| C32 | C34 | C35 | 119.6° | 119.9° |
| C32 | C34 | H50 | 120.2° | 120.0° |
| C35 | C33 | H49 | 120.2° | 120.0° |
| C33 | C35 | C34 | 120.4° | 119.9° |
| C33 | C35 | O10 | 119.7° | 120.0° |
| C35 | C34 | H50 | 120.2° | 120.1° |
| C34 | C35 | O10 | 119.9° | 120.0° |
| C35 | O10 | H51 | 109.5° | 114.0° |
| C36 | N7 | H52 | 119.4° | 120.0° |
| N7 | C36 | C37 | 110.8° | 109.4° |
| N7 | C36 | C46 | 111.1° | 109.5° |
| N7 | C36 | H53 | 108.7° | 109.5° |
| C36 | N7 | C28 | 121.2° | 120.0° |
| H52 | N7 | C28 | 119.4° | 120.0° |
| C37 | C36 | C46 | 110.5° | 109.4° |
| C37 | C36 | H53 | 107.8° | 109.5° |
| C36 | C37 | C38 | 113.3° | 109.4° |
| C36 | C37 | H54 | 108.5° | 109.5° |
| C36 | C37 | H55 | 108.5° | 109.5° |
| C46 | C36 | H53 | 107.8° | 109.5° |
| C36 | C46 | O11 | 120.8° | 120.0° |
| C36 | C46 | N9 | 116.1° | 120.0° |
| C38 | C37 | H54 | 108.5° | 109.4° |
| C38 | C37 | H55 | 108.5° | 109.5° |
| C37 | C38 | C39 | 127.0° | 126.5° |
| C37 | C38 | C45 | 126.8° | 126.5° |
| H54 | C37 | H55 | 109.5° | 109.5° |
| C39 | C38 | C45 | 106.2° | 107.0° |
| C38 | C39 | N8 | 110.2° | 109.9° |
| C38 | C39 | H56 | 124.9° | 125.1° |
| C38 | C45 | C40 | 107.2° | 106.1° |
| C38 | C45 | C44 | 133.9° | 134.0° |
| N8 | C39 | H56 | 124.9° | 125.1° |
| C39 | N8 | C40 | 109.0° | 109.9° |
| C39 | N8 | H57 | 125.5° | 125.0° |
| C40 | N8 | H57 | 125.6° | 125.0° |
| N8 | C40 | C41 | 130.2° | 133.6° |
| N8 | C40 | C45 | 107.4° | 107.1° |
| C41 | C40 | C45 | 122.4° | 119.3° |
| C40 | C41 | C42 | 117.4° | 119.8° |
| C40 | C41 | H58 | 121.3° | 120.1° |
| C40 | C45 | C44 | 118.9° | 119.9° |
| C42 | C41 | H58 | 121.3° | 120.1° |
| C41 | C42 | C43 | 121.5° | 120.6° |
| C41 | C42 | H59 | 119.3° | 119.7° |
| C43 | C42 | H59 | 119.3° | 119.7° |
| C42 | C43 | C44 | 121.1° | 120.6° |
| C42 | C43 | H60 | 119.4° | 119.7° |
| C44 | C43 | H60 | 119.4° | 119.7° |
| C43 | C44 | C45 | 118.7° | 119.7° |
| C43 | C44 | H61 | 120.7° | 120.1° |
| C45 | C44 | H61 | 120.7° | 120.1° |
| O11 | C46 | N9 | 123.1° | 120.0° |
| C47 | N9 | H62 | 119.2° | 120.0° |
| N9 | C47 | C48 | 110.5° | 109.4° |
| N9 | C47 | C49 | 110.0° | 109.4° |
| N9 | C47 | H63 | 109.2° | 109.5° |
| C47 | N9 | C46 | 121.5° | 120.0° |
| H62 | N9 | C46 | 119.3° | 120.1° |
| C48 | C47 | C49 | 110.2° | 109.5° |
| C48 | C47 | H63 | 108.5° | 109.5° |
| C47 | C48 | H64 | 109.5° | 109.5° |
| C47 | C48 | H65 | 109.5° | 109.4° |
| C47 | C48 | H66 | 109.5° | 109.4° |
| C49 | C47 | H63 | 108.4° | 109.5° |
| C47 | C49 | O12 | 120.8° | 120.0° |
| C47 | C49 | N10 | 115.9° | 120.0° |
| H64 | C48 | H65 | 109.4° | 109.5° |
| H64 | C48 | H66 | 109.4° | 109.5° |
| H65 | C48 | H66 | 109.5° | 109.4° |
| O12 | C49 | N10 | 123.3° | 120.0° |
| C50 | N10 | H67 | 119.0° | 120.0° |
| N10 | C50 | C51 | 110.7° | 109.5° |
| N10 | C50 | C52 | 110.6° | 109.5° |
| N10 | C50 | H68 | 109.2° | 109.5° |
| C50 | N10 | C49 | 121.9° | 120.0° |
| H67 | N10 | C49 | 119.0° | 120.0° |
| C51 | C50 | C52 | 109.8° | 109.5° |
| C51 | C50 | H68 | 108.3° | 109.4° |
| C50 | C51 | O13 | 120.7° | 119.9° |
| C50 | C51 | N11 | 116.0° | 120.1° |
| C52 | C50 | H68 | 108.3° | 109.4° |
| C50 | C52 | O14 | 110.9° | 109.5° |
| C50 | C52 | H69 | 109.1° | 109.5° |
| C50 | C52 | H70 | 109.1° | 109.5° |
| O13 | C51 | N11 | 123.3° | 120.0° |
| O14 | C52 | H69 | 109.1° | 109.5° |
| O14 | C52 | H70 | 109.1° | 109.4° |
| C52 | O14 | H71 | 109.5° | 114.0° |
| H69 | C52 | H70 | 109.5° | 109.5° |
| C53 | N11 | H72 | 118.9° | 120.0° |
| N11 | C53 | C54 | 110.6° | 109.5° |
| N11 | C53 | C58 | 111.4° | 109.4° |
| N11 | C53 | H73 | 108.8° | 109.4° |
| C53 | N11 | C51 | 122.2° | 120.0° |
| H72 | N11 | C51 | 118.9° | 120.0° |
| C54 | C53 | C58 | 110.0° | 109.5° |
| C54 | C53 | H73 | 107.9° | 109.5° |
| C53 | C54 | C55 | 115.1° | 109.5° |
| C53 | C54 | H74 | 108.0° | 109.5° |
| C53 | C54 | H75 | 108.0° | 109.4° |
| C58 | C53 | H73 | 107.9° | 109.5° |
| C53 | C58 | O15 | 120.6° | 120.0° |
| C53 | C58 | N12 | 116.4° | 120.0° |
| C55 | C54 | H74 | 108.0° | 109.5° |
| C55 | C54 | H75 | 108.0° | 109.5° |
| C54 | C55 | C56 | 111.1° | 109.5° |
| C54 | C55 | C57 | 110.4° | 109.5° |
| C54 | C55 | H76 | 108.1° | 109.5° |
| H74 | C54 | H75 | 109.5° | 109.5° |
| C56 | C55 | C57 | 110.8° | 109.5° |
| C56 | C55 | H76 | 108.2° | 109.5° |
| C55 | C56 | H77 | 109.5° | 109.5° |
| C55 | C56 | H78 | 109.5° | 109.5° |
| C55 | C56 | H79 | 109.5° | 109.5° |
| C57 | C55 | H76 | 108.2° | 109.5° |
| C55 | C57 | H80 | 109.5° | 109.5° |
| C55 | C57 | H81 | 109.5° | 109.4° |
| C55 | C57 | H82 | 109.5° | 109.5° |
| H77 | C56 | H78 | 109.5° | 109.4° |
| H77 | C56 | H79 | 109.5° | 109.4° |
| H78 | C56 | H79 | 109.5° | 109.5° |
| H80 | C57 | H81 | 109.4° | 109.4° |
| H80 | C57 | H82 | 109.5° | 109.5° |
| H81 | C57 | H82 | 109.4° | 109.5° |
| O15 | C58 | N12 | 123.1° | 120.0° |
| C59 | N12 | H83 | 119.0° | 120.0° |
| N12 | C59 | C60 | 111.3° | 109.5° |
| N12 | C59 | C61 | 110.8° | 109.5° |
| N12 | C59 | H84 | 108.9° | 109.4° |
| C59 | N12 | C58 | 121.9° | 120.0° |
| H83 | N12 | C58 | 119.0° | 120.0° |
| C60 | C59 | C61 | 109.7° | 109.5° |
| C60 | C59 | H84 | 108.1° | 109.5° |
| C59 | C60 | O16 | 120.8° | 120.0° |
| C59 | C60 | N15 | 116.1° | 120.0° |
| C61 | C59 | H84 | 108.0° | 109.5° |
| C59 | C61 | C62 | 113.8° | 109.5° |
| C59 | C61 | H85 | 108.4° | 109.5° |
| C59 | C61 | H86 | 108.4° | 109.4° |
| O16 | C60 | N15 | 123.1° | 120.0° |
| C62 | C61 | H85 | 108.4° | 109.5° |
| C62 | C61 | H86 | 108.4° | 109.4° |
| C61 | C62 | N13 | 122.7° | 126.0° |
| C61 | C62 | C63 | 131.2° | 126.0° |
| H85 | C61 | H86 | 109.5° | 109.5° |
| N13 | C62 | C63 | 106.1° | 108.0° |
| C62 | N13 | C64 | 109.4° | 109.2° |
| C62 | N13 | H87 | 125.3° | 125.4° |
| C62 | C63 | N14 | 107.2° | 106.8° |
| C62 | C63 | H88 | 126.4° | 126.6° |
| C64 | N13 | H87 | 125.3° | 125.4° |
| N13 | C64 | N14 | 108.4° | 108.7° |
| N13 | C64 | H89 | 125.8° | 125.6° |
| N14 | C63 | H88 | 126.4° | 126.6° |
| C63 | N14 | C64 | 108.9° | 107.2° |
| C63 | N14 | H90 | 125.5° | 126.4° |
| N14 | C64 | H89 | 125.8° | 125.6° |
| C64 | N14 | H90 | 125.6° | 126.4° |
| C65 | N15 | H91 | 119.1° | 120.0° |
| N15 | C65 | C66 | 111.6° | 109.5° |
| N15 | C65 | C67 | 110.2° | 109.5° |
| N15 | C65 | H92 | 108.9° | 109.5° |
| C65 | N15 | C60 | 121.8° | 120.0° |
| H91 | N15 | C60 | 119.1° | 120.0° |
| C66 | C65 | C67 | 110.0° | 109.5° |
| C66 | C65 | H92 | 108.0° | 109.5° |
| C65 | C66 | O17 | 120.8° | 120.0° |
| C65 | C66 | N16 | 116.1° | 120.0° |
| C67 | C65 | H92 | 108.0° | 109.4° |
| C65 | C67 | S2 | 114.2° | 109.5° |
| C65 | C67 | H93 | 108.3° | 109.5° |
| C65 | C67 | H94 | 108.3° | 109.5° |
| O17 | C66 | N16 | 123.0° | 120.0° |
| S2 | C67 | H93 | 108.3° | 109.5° |
| S2 | C67 | H94 | 108.3° | 109.4° |
| C67 | S2 | H95 | 102.0° | 103.0° |
| H93 | C67 | H94 | 109.5° | 109.5° |
| C68 | N16 | H96 | 119.0° | 120.0° |
| N16 | C68 | C69 | 111.0° | 109.5° |
| N16 | C68 | C70 | 111.3° | 109.5° |
| N16 | C68 | H97 | 108.2° | 109.5° |
| C68 | N16 | C66 | 122.0° | 120.0° |
| H96 | N16 | C66 | 119.0° | 120.0° |
| C69 | C68 | C70 | 111.6° | 109.5° |
| C69 | C68 | H97 | 107.3° | 109.5° |
| C68 | C69 | O18 | 121.0° | 120.0° |
| C68 | C69 | N17 | 116.0° | 120.0° |
| C70 | C68 | H97 | 107.2° | 109.4° |
| C68 | C70 | C71 | 110.7° | 109.5° |
| C68 | C70 | C72 | 110.8° | 109.5° |
| C68 | C70 | H98 | 108.0° | 109.5° |
| O18 | C69 | N17 | 123.0° | 120.0° |
| C71 | C70 | C72 | 110.7° | 109.5° |
| C71 | C70 | H98 | 108.2° | 109.4° |
| C70 | C71 | C73 | 113.6° | 109.5° |
| C70 | C71 | H99 | 108.4° | 109.4° |
| C70 | C71 | H100 | 108.4° | 109.5° |
| C72 | C70 | H98 | 108.3° | 109.5° |
| C70 | C72 | H101 | 109.5° | 109.5° |
| C70 | C72 | H102 | 109.4° | 109.5° |
| C70 | C72 | H103 | 109.5° | 109.4° |
| C73 | C71 | H99 | 108.4° | 109.5° |
| C73 | C71 | H100 | 108.4° | 109.5° |
| C71 | C73 | H104 | 109.5° | 109.5° |
| C71 | C73 | H105 | 109.5° | 109.5° |
| C71 | C73 | H106 | 109.5° | 109.5° |
| H99 | C71 | H100 | 109.5° | 109.4° |
| H101 | C72 | H102 | 109.5° | 109.5° |
| H101 | C72 | H103 | 109.5° | 109.4° |
| H102 | C72 | H103 | 109.5° | 109.5° |
| H104 | C73 | H105 | 109.5° | 109.5° |
| H104 | C73 | H106 | 109.5° | 109.4° |
| H105 | C73 | H106 | 109.5° | 109.5° |
| C74 | N17 | H107 | 118.9° | 120.0° |
| N17 | C74 | C75 | 110.9° | 109.5° |
| N17 | C74 | C78 | 112.5° | 109.5° |
| N17 | C74 | H108 | 107.2° | 109.5° |
| C74 | N17 | C69 | 122.1° | 120.0° |
| H107 | N17 | C69 | 118.9° | 120.0° |
| C75 | C74 | C78 | 113.2° | 109.5° |
| C75 | C74 | H108 | 106.2° | 109.5° |
| C74 | C75 | C76 | 110.3° | 109.5° |
| C74 | C75 | C77 | 111.8° | 109.5° |
| C74 | C75 | H109 | 107.5° | 109.4° |
| C78 | C74 | H108 | 106.3° | 109.4° |
| C74 | C78 | O19 | 120.7° | 120.0° |
| C74 | C78 | N18 | 116.7° | 120.0° |
| C76 | C75 | C77 | 111.3° | 109.5° |
| C76 | C75 | H109 | 107.9° | 109.5° |
| C75 | C76 | H110 | 109.5° | 109.5° |
| C75 | C76 | H111 | 109.5° | 109.5° |
| C75 | C76 | H112 | 109.5° | 109.5° |
| C77 | C75 | H109 | 107.9° | 109.5° |
| C75 | C77 | H113 | 109.5° | 109.5° |
| C75 | C77 | H114 | 109.5° | 109.5° |
| C75 | C77 | H115 | 109.5° | 109.5° |
| H110 | C76 | H111 | 109.4° | 109.5° |
| H110 | C76 | H112 | 109.5° | 109.4° |
| H111 | C76 | H112 | 109.5° | 109.5° |
| H113 | C77 | H114 | 109.4° | 109.5° |
| H113 | C77 | H115 | 109.5° | 109.5° |
| H114 | C77 | H115 | 109.5° | 109.4° |
| O19 | C78 | N18 | 122.6° | 120.0° |
| C79 | N18 | H116 | 119.2° | 120.0° |
| N18 | C79 | C80 | 111.8° | 109.5° |
| N18 | C79 | C81 | 110.7° | 109.5° |
| N18 | C79 | H117 | 108.6° | 109.4° |
| C79 | N18 | C78 | 121.5° | 120.0° |
| H116 | N18 | C78 | 119.3° | 120.0° |
| C80 | C79 | C81 | 110.1° | 109.5° |
| C80 | C79 | H117 | 107.7° | 109.5° |
| C79 | C80 | O20 | 120.9° | 120.0° |
| C79 | C80 | N19 | 116.2° | 120.0° |
| C81 | C79 | H117 | 107.7° | 109.5° |
| C79 | C81 | O21 | 111.1° | 109.5° |
| C79 | C81 | H118 | 109.1° | 109.5° |
| C79 | C81 | H119 | 109.1° | 109.5° |
| O20 | C80 | N19 | 122.9° | 120.0° |
| O21 | C81 | H118 | 109.1° | 109.5° |
| O21 | C81 | H119 | 109.0° | 109.4° |
| C81 | O21 | H120 | 109.5° | 114.0° |
| H118 | C81 | H119 | 109.4° | 109.5° |
| H121 | N19 | H122 | 120.0° | 120.0° |
| H121 | N19 | C80 | 120.0° | 120.0° |
| H122 | N19 | C80 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 90.0° | 179.8° |
| O1 | C1 | C2 | H1 | 90.0° | 0.1° |
| O1 | C1 | C2 | H2 | 90.0° | 120.0° |
| O1 | C1 | C2 | H3 | 90.0° | 120.0° |
| O1 | C1 | N1 | C3 | 90.0° | 0.1° |
| O1 | C1 | N1 | C6 | 90.0° | 179.7° |
| C1 | C2 | H1 | H2 | 90.0° | 120.0° |
| C1 | C2 | H1 | H3 | 90.0° | 120.1° |
| C1 | C2 | H2 | H3 | 90.0° | 120.0° |
| C2 | C1 | N1 | C3 | 90.0° | 179.7° |
| C2 | C1 | N1 | C6 | 90.0° | 0.5° |
| H1 | C2 | H2 | H3 | 90.0° | 120.0° |
| H1 | C2 | C1 | N1 | 90.0° | 179.7° |
| H2 | C2 | C1 | N1 | 90.0° | 59.8° |
| H3 | C2 | C1 | N1 | 90.0° | 60.2° |
| C3 | N1 | C6 | C1 | 103.0° | 179.8° |
| N1 | C3 | C4 | C7 | 121.0° | 119.4° |
| N1 | C3 | C4 | H4 | 117.7° | 119.5° |
| N1 | C3 | C7 | H4 | 124.0° | 121.1° |
| N1 | C3 | C4 | C5 | 32.2° | 22.2° |
| N1 | C3 | C4 | H5 | 151.3° | 140.6° |
| N1 | C3 | C4 | H6 | 86.9° | 96.1° |
| C3 | N1 | C6 | C5 | 1.1° | 24.4° |
| C3 | N1 | C6 | H9 | 117.9° | 94.5° |
| C3 | N1 | C6 | H10 | 120.1° | 143.2° |
| N1 | C3 | C7 | O2 | 139.4° | 18.6° |
| N1 | C3 | C7 | N2 | 40.0° | 161.4° |
| C6 | N1 | C3 | C4 | 19.4° | 1.3° |
| C6 | N1 | C3 | C7 | 138.8° | 118.2° |
| C6 | N1 | C3 | H4 | 97.7° | 120.7° |
| N1 | C6 | C5 | C4 | 22.1° | 37.3° |
| N1 | C6 | C5 | H9 | 119.0° | 118.8° |
| N1 | C6 | C5 | H10 | 119.0° | 118.7° |
| N1 | C6 | C5 | H7 | 97.4° | 80.8° |
| N1 | C6 | C5 | H8 | 141.6° | 155.3° |
| N1 | C6 | H9 | H10 | 122.8° | 122.3° |
| C4 | C3 | C7 | H4 | 121.2° | 121.1° |
| C3 | C4 | C5 | H5 | 119.1° | 118.3° |
| C3 | C4 | C5 | H6 | 119.1° | 118.4° |
| C3 | C4 | H5 | H6 | 122.7° | 123.2° |
| C3 | C4 | C5 | C6 | 34.1° | 35.7° |
| C3 | C4 | C5 | H7 | 85.4° | 82.6° |
| C3 | C4 | C5 | H8 | 153.6° | 153.6° |
| C4 | C3 | C7 | O2 | 105.9° | 99.2° |
| C4 | C3 | N1 | C1 | 74.9° | 179.0° |
| C4 | C3 | C7 | N2 | 74.7° | 80.7° |
| C7 | C3 | C4 | C5 | 153.2° | 141.7° |
| C7 | C3 | C4 | H5 | 87.7° | 100.0° |
| C7 | C3 | C4 | H6 | 34.1° | 23.3° |
| C3 | C7 | O2 | N2 | 179.4° | 180.0° |
| C3 | C7 | N2 | C8 | 179.6° | 179.9° |
| C3 | C7 | N2 | H11 | 0.4° | 0.1° |
| C7 | C3 | N1 | C1 | 165.7° | 61.6° |
| H4 | C3 | C4 | C5 | 85.5° | 97.2° |
| H4 | C3 | C4 | H5 | 33.6° | 21.1° |
| H4 | C3 | C4 | H6 | 155.4° | 144.4° |
| H4 | C3 | C7 | O2 | 15.4° | 139.7° |
| H4 | C3 | N1 | C1 | 42.2° | 59.5° |
| H4 | C3 | C7 | N2 | 164.1° | 40.3° |
| C5 | C4 | H5 | H6 | 122.7° | 123.3° |
| C4 | C5 | C6 | H7 | 119.5° | 118.2° |
| C4 | C5 | C6 | H8 | 119.5° | 117.9° |
| C4 | C5 | H7 | H8 | 121.5° | 123.9° |
| C4 | C5 | C6 | H9 | 96.9° | 81.5° |
| C4 | C5 | C6 | H10 | 141.1° | 156.1° |
| H5 | C4 | C5 | C6 | 153.2° | 154.0° |
| H5 | C4 | C5 | H7 | 33.7° | 35.8° |
| H5 | C4 | C5 | H8 | 87.2° | 88.1° |
| H6 | C4 | C5 | C6 | 85.0° | 82.7° |
| H6 | C4 | C5 | H7 | 155.5° | 159.1° |
| H6 | C4 | C5 | H8 | 34.6° | 35.2° |
| C6 | C5 | H7 | H8 | 121.4° | 123.8° |
| C5 | C6 | H9 | H10 | 122.8° | 122.4° |
| C5 | C6 | N1 | C1 | 101.8° | 155.8° |
| H7 | C5 | C6 | H9 | 143.5° | 160.4° |
| H7 | C5 | C6 | H10 | 21.6° | 37.9° |
| H8 | C5 | C6 | H9 | 22.6° | 36.5° |
| H8 | C5 | C6 | H10 | 99.3° | 86.0° |
| H9 | C6 | N1 | C1 | 139.2° | 85.3° |
| H10 | C6 | N1 | C1 | 17.2° | 37.1° |
| O2 | C7 | N2 | C8 | 1.0° | 0.0° |
| O2 | C7 | N2 | H11 | 179.0° | 179.9° |
| C8 | N2 | H11 | C7 | 180.0° | 179.9° |
| N2 | C8 | C9 | C13 | 123.0° | 120.0° |
| N2 | C8 | C9 | H12 | 119.1° | 120.0° |
| N2 | C8 | C13 | H12 | 119.4° | 120.0° |
| N2 | C8 | C9 | C10 | 157.8° | 65.0° |
| N2 | C8 | C9 | H13 | 80.9° | 175.0° |
| N2 | C8 | C9 | H14 | 36.5° | 55.0° |
| N2 | C8 | C13 | O3 | 141.9° | 0.1° |
| N2 | C8 | C13 | N3 | 37.3° | 180.0° |
| H11 | N2 | C8 | C9 | 1.6° | 95.1° |
| H11 | N2 | C8 | C13 | 124.2° | 24.9° |
| H11 | N2 | C8 | H12 | 116.9° | 144.9° |
| C9 | C8 | C13 | H12 | 117.9° | 120.0° |
| C8 | C9 | C10 | H13 | 121.3° | 120.0° |
| C8 | C9 | C10 | H14 | 121.3° | 120.0° |
| C8 | C9 | H13 | H14 | 115.7° | 120.0° |
| C8 | C9 | C10 | C11 | 44.2° | 65.0° |
| C8 | C9 | C10 | C12 | 80.7° | 175.0° |
| C8 | C9 | C10 | H15 | 161.3° | 55.0° |
| C9 | C8 | C13 | O3 | 95.4° | 120.0° |
| C9 | C8 | N2 | C7 | 178.5° | 85.0° |
| C9 | C8 | C13 | N3 | 85.4° | 60.1° |
| C13 | C8 | C9 | C10 | 79.2° | 175.0° |
| C13 | C8 | C9 | H13 | 42.1° | 55.0° |
| C13 | C8 | C9 | H14 | 159.4° | 65.0° |
| C8 | C13 | O3 | N3 | 179.1° | 179.9° |
| C8 | C13 | N3 | C14 | 179.1° | 175.0° |
| C8 | C13 | N3 | H22 | 0.9° | 5.1° |
| C13 | C8 | N2 | C7 | 55.8° | 155.0° |
| H12 | C8 | C9 | C10 | 38.7° | 55.0° |
| H12 | C8 | C9 | H13 | 160.1° | 65.0° |
| H12 | C8 | C9 | H14 | 82.6° | 175.0° |
| H12 | C8 | C13 | O3 | 22.5° | 120.0° |
| H12 | C8 | N2 | C7 | 63.1° | 34.9° |
| H12 | C8 | C13 | N3 | 156.7° | 59.9° |
| C10 | C9 | H13 | H14 | 115.7° | 120.0° |
| C9 | C10 | C11 | C12 | 126.1° | 120.0° |
| C9 | C10 | C11 | H15 | 116.9° | 120.0° |
| C9 | C10 | C12 | H15 | 118.0° | 120.0° |
| C9 | C10 | C11 | H16 | 180.0° | 60.0° |
| C9 | C10 | C11 | H17 | 60.0° | 180.0° |
| C9 | C10 | C11 | H18 | 60.0° | 60.1° |
| C9 | C10 | C12 | H19 | 180.0° | 59.9° |
| C9 | C10 | C12 | H20 | 60.0° | 180.0° |
| C9 | C10 | C12 | H21 | 60.0° | 60.0° |
| H13 | C9 | C10 | C11 | 165.6° | 55.0° |
| H13 | C9 | C10 | C12 | 40.6° | 65.0° |
| H13 | C9 | C10 | H15 | 77.4° | 175.0° |
| H14 | C9 | C10 | C11 | 77.1° | 175.0° |
| H14 | C9 | C10 | C12 | 158.0° | 55.0° |
| H14 | C9 | C10 | H15 | 39.9° | 65.0° |
| C11 | C10 | C12 | H15 | 117.0° | 120.0° |
| C10 | C11 | H16 | H17 | 120.0° | 120.0° |
| C10 | C11 | H16 | H18 | 120.0° | 120.0° |
| C10 | C11 | H17 | H18 | 120.0° | 119.9° |
| C11 | C10 | C12 | H19 | 55.0° | 179.9° |
| C11 | C10 | C12 | H20 | 65.0° | 60.0° |
| C11 | C10 | C12 | H21 | 175.0° | 60.0° |
| C12 | C10 | C11 | H16 | 53.9° | 60.0° |
| C12 | C10 | C11 | H17 | 173.9° | 60.0° |
| C12 | C10 | C11 | H18 | 66.1° | 180.0° |
| C10 | C12 | H19 | H20 | 120.0° | 120.0° |
| C10 | C12 | H19 | H21 | 120.0° | 119.9° |
| C10 | C12 | H20 | H21 | 120.0° | 119.9° |
| H15 | C10 | C11 | H16 | 63.1° | 180.0° |
| H15 | C10 | C11 | H17 | 56.9° | 60.0° |
| H15 | C10 | C11 | H18 | 176.9° | 59.9° |
| H15 | C10 | C12 | H19 | 62.0° | 60.0° |
| H15 | C10 | C12 | H20 | 177.9° | 60.0° |
| H15 | C10 | C12 | H21 | 58.0° | 180.0° |
| H16 | C11 | H17 | H18 | 120.0° | 120.1° |
| H19 | C12 | H20 | H21 | 120.0° | 120.0° |
| O3 | C13 | N3 | C14 | 0.1° | 4.9° |
| O3 | C13 | N3 | H22 | 179.9° | 175.0° |
| C14 | N3 | H22 | C13 | 180.0° | 179.8° |
| N3 | C14 | C15 | C16 | 122.9° | 120.0° |
| N3 | C14 | C15 | H23 | 119.7° | 120.0° |
| N3 | C14 | C16 | H23 | 119.0° | 120.0° |
| N3 | C14 | C15 | O4 | 175.5° | 0.0° |
| N3 | C14 | C16 | C17 | 132.5° | 66.2° |
| N3 | C14 | C16 | H24 | 107.0° | 173.7° |
| N3 | C14 | C16 | H25 | 12.1° | 53.8° |
| N3 | C14 | C15 | N4 | 4.9° | 180.0° |
| H22 | N3 | C14 | C15 | 104.3° | 92.3° |
| H22 | N3 | C14 | C16 | 18.0° | 27.8° |
| H22 | N3 | C14 | H23 | 136.5° | 147.7° |
| C15 | C14 | C16 | H23 | 117.4° | 120.0° |
| C14 | C15 | O4 | N4 | 179.6° | 180.0° |
| C15 | C14 | C16 | C17 | 103.9° | 173.7° |
| C15 | C14 | C16 | H24 | 16.5° | 53.7° |
| C15 | C14 | C16 | H25 | 135.6° | 66.3° |
| C14 | C15 | N4 | C18 | 177.5° | 180.0° |
| C14 | C15 | N4 | H27 | 2.5° | 0.0° |
| C15 | C14 | N3 | C13 | 75.7° | 87.6° |
| C16 | C14 | C15 | O4 | 61.6° | 120.0° |
| C14 | C16 | C17 | H24 | 120.5° | 120.0° |
| C14 | C16 | C17 | H25 | 120.5° | 120.0° |
| C14 | C16 | H24 | H25 | 118.7° | 120.0° |
| C14 | C16 | C17 | O5 | 89.5° | 4.6° |
| C14 | C16 | C17 | O6 | 89.3° | 175.4° |
| C16 | C14 | N3 | C13 | 162.0° | 152.4° |
| C16 | C14 | C15 | N4 | 118.0° | 60.0° |
| H23 | C14 | C15 | O4 | 55.8° | 120.0° |
| H23 | C14 | C16 | C17 | 13.5° | 53.7° |
| H23 | C14 | C16 | H24 | 133.9° | 66.3° |
| H23 | C14 | C16 | H25 | 107.0° | 173.7° |
| H23 | C14 | N3 | C13 | 43.5° | 32.5° |
| H23 | C14 | C15 | N4 | 124.6° | 60.0° |
| O4 | C15 | N4 | C18 | 2.9° | 0.0° |
| O4 | C15 | N4 | H27 | 177.1° | 180.0° |
| C17 | C16 | H24 | H25 | 118.6° | 120.0° |
| C16 | C17 | O5 | O6 | 178.7° | 180.0° |
| C16 | C17 | O6 | H26 | 178.7° | 180.0° |
| H24 | C16 | C17 | O5 | 31.0° | 124.6° |
| H24 | C16 | C17 | O6 | 150.2° | 55.4° |
| H25 | C16 | C17 | O5 | 150.1° | 115.4° |
| H25 | C16 | C17 | O6 | 31.2° | 64.6° |
| O5 | C17 | O6 | H26 | 0.0° | 0.0° |
| C18 | N4 | H27 | C15 | 180.0° | 180.0° |
| N4 | C18 | C19 | C23 | 122.1° | 119.9° |
| N4 | C18 | C19 | H28 | 119.7° | 120.0° |
| N4 | C18 | C23 | H28 | 119.4° | 120.0° |
| N4 | C18 | C19 | C20 | 178.3° | 65.1° |
| N4 | C18 | C19 | H29 | 60.8° | 175.0° |
| N4 | C18 | C19 | H30 | 57.3° | 54.9° |
| N4 | C18 | C23 | O7 | 138.0° | 0.1° |
| N4 | C18 | C23 | N5 | 41.5° | 180.0° |
| H27 | N4 | C18 | C19 | 59.0° | 95.0° |
| H27 | N4 | C18 | C23 | 63.0° | 24.9° |
| H27 | N4 | C18 | H28 | 178.1° | 145.0° |
| C19 | C18 | C23 | H28 | 118.3° | 120.1° |
| C18 | C19 | C20 | H29 | 120.9° | 119.9° |
| C18 | C19 | C20 | H30 | 121.0° | 120.1° |
| C18 | C19 | H29 | H30 | 116.9° | 120.1° |
| C18 | C19 | C20 | C21 | 176.7° | 64.9° |
| C18 | C19 | C20 | C22 | 60.1° | 175.0° |
| C18 | C19 | C20 | H31 | 58.3° | 55.0° |
| C19 | C18 | C23 | O7 | 99.6° | 120.0° |
| C19 | C18 | N4 | C15 | 121.0° | 85.0° |
| C19 | C18 | C23 | N5 | 80.9° | 60.1° |
| C23 | C18 | C19 | C20 | 59.7° | 175.0° |
| C23 | C18 | C19 | H29 | 61.3° | 55.1° |
| C23 | C18 | C19 | H30 | 179.3° | 65.0° |
| C18 | C23 | O7 | N5 | 179.4° | 179.9° |
| C18 | C23 | N5 | C24 | 178.5° | 180.0° |
| C18 | C23 | N5 | H38 | 1.6° | 0.1° |
| C23 | C18 | N4 | C15 | 117.0° | 155.1° |
| H28 | C18 | C19 | C20 | 58.6° | 55.0° |
| H28 | C18 | C19 | H29 | 179.6° | 65.0° |
| H28 | C18 | C19 | H30 | 62.4° | 175.0° |
| H28 | C18 | C23 | O7 | 18.6° | 119.9° |
| H28 | C18 | N4 | C15 | 1.9° | 35.0° |
| H28 | C18 | C23 | N5 | 160.8° | 60.0° |
| C20 | C19 | H29 | H30 | 117.0° | 120.0° |
| C19 | C20 | C21 | C22 | 123.1° | 120.0° |
| C19 | C20 | C21 | H31 | 118.3° | 120.0° |
| C19 | C20 | C22 | H31 | 118.3° | 120.0° |
| C19 | C20 | C21 | H32 | 180.0° | 180.0° |
| C19 | C20 | C21 | H33 | 60.0° | 60.0° |
| C19 | C20 | C21 | H34 | 60.0° | 60.0° |
| C19 | C20 | C22 | H35 | 180.0° | 59.9° |
| C19 | C20 | C22 | H36 | 60.0° | 180.0° |
| C19 | C20 | C22 | H37 | 60.0° | 60.0° |
| H29 | C19 | C20 | C21 | 55.7° | 55.0° |
| H29 | C19 | C20 | C22 | 178.9° | 65.1° |
| H29 | C19 | C20 | H31 | 62.7° | 175.0° |
| H30 | C19 | C20 | C21 | 62.3° | 175.0° |
| H30 | C19 | C20 | C22 | 60.8° | 55.0° |
| H30 | C19 | C20 | H31 | 179.3° | 65.0° |
| C21 | C20 | C22 | H31 | 118.6° | 120.0° |
| C20 | C21 | H32 | H33 | 120.0° | 120.0° |
| C20 | C21 | H32 | H34 | 120.0° | 120.0° |
| C20 | C21 | H33 | H34 | 119.9° | 120.0° |
| C21 | C20 | C22 | H35 | 56.9° | 180.0° |
| C21 | C20 | C22 | H36 | 63.1° | 59.9° |
| C21 | C20 | C22 | H37 | 176.9° | 60.0° |
| C22 | C20 | C21 | H32 | 56.8° | 60.0° |
| C22 | C20 | C21 | H33 | 176.9° | 180.0° |
| C22 | C20 | C21 | H34 | 63.2° | 60.1° |
| C20 | C22 | H35 | H36 | 120.0° | 120.0° |
| C20 | C22 | H35 | H37 | 120.0° | 119.9° |
| C20 | C22 | H36 | H37 | 120.0° | 119.9° |
| H31 | C20 | C21 | H32 | 61.7° | 60.0° |
| H31 | C20 | C21 | H33 | 58.3° | 60.0° |
| H31 | C20 | C21 | H34 | 178.3° | 180.0° |
| H31 | C20 | C22 | H35 | 61.7° | 60.0° |
| H31 | C20 | C22 | H36 | 178.3° | 60.0° |
| H31 | C20 | C22 | H37 | 58.3° | 180.0° |
| H32 | C21 | H33 | H34 | 120.0° | 120.0° |
| H35 | C22 | H36 | H37 | 120.0° | 120.0° |
| O7 | C23 | N5 | C24 | 2.1° | 0.1° |
| O7 | C23 | N5 | H38 | 177.9° | 180.0° |
| C24 | N5 | H38 | C23 | 180.0° | 180.0° |
| N5 | C24 | C25 | C26 | 123.3° | 120.0° |
| N5 | C24 | C25 | H39 | 119.6° | 120.0° |
| N5 | C24 | C26 | H39 | 118.4° | 120.0° |
| N5 | C24 | C25 | O8 | 134.2° | 0.1° |
| N5 | C24 | C26 | S1 | 61.6° | 65.0° |
| N5 | C24 | C26 | H40 | 177.6° | 175.0° |
| N5 | C24 | C26 | H41 | 59.2° | 55.0° |
| N5 | C24 | C25 | N6 | 45.9° | 180.0° |
| H38 | N5 | C24 | C25 | 117.7° | 25.0° |
| H38 | N5 | C24 | C26 | 5.2° | 95.0° |
| H38 | N5 | C24 | H39 | 123.2° | 145.0° |
| C25 | C24 | C26 | H39 | 117.1° | 120.0° |
| C24 | C25 | O8 | N6 | 179.9° | 179.9° |
| C25 | C24 | C26 | S1 | 174.0° | 175.0° |
| C25 | C24 | C26 | H40 | 53.2° | 55.0° |
| C25 | C24 | C26 | H41 | 65.3° | 65.0° |
| C24 | C25 | N6 | C27 | 179.5° | 180.0° |
| C24 | C25 | N6 | H43 | 0.4° | 0.1° |
| C25 | C24 | N5 | C23 | 62.3° | 154.9° |
| C26 | C24 | C25 | O8 | 102.5° | 119.9° |
| C24 | C26 | S1 | H40 | 120.8° | 120.0° |
| C24 | C26 | S1 | H41 | 120.8° | 120.0° |
| C24 | C26 | H40 | H41 | 117.6° | 120.0° |
| C24 | C26 | S1 | H42 | 180.0° | 180.0° |
| C26 | C24 | N5 | C23 | 174.8° | 85.0° |
| C26 | C24 | C25 | N6 | 77.4° | 60.0° |
| H39 | C24 | C25 | O8 | 14.6° | 120.0° |
| H39 | C24 | C26 | S1 | 56.8° | 55.0° |
| H39 | C24 | C26 | H40 | 64.0° | 65.0° |
| H39 | C24 | C26 | H41 | 177.6° | 175.0° |
| H39 | C24 | N5 | C23 | 56.9° | 35.0° |
| H39 | C24 | C25 | N6 | 165.5° | 60.0° |
| O8 | C25 | N6 | C27 | 0.3° | 0.0° |
| O8 | C25 | N6 | H43 | 179.7° | 180.0° |
| S1 | C26 | H40 | H41 | 117.6° | 120.0° |
| H40 | C26 | S1 | H42 | 59.2° | 60.0° |
| H41 | C26 | S1 | H42 | 59.2° | 60.0° |
| C27 | N6 | H43 | C25 | 180.0° | 180.0° |
| N6 | C27 | C28 | C29 | 124.4° | 120.0° |
| N6 | C27 | C28 | H44 | 119.1° | 120.0° |
| N6 | C27 | C29 | H44 | 118.6° | 120.0° |
| N6 | C27 | C28 | O9 | 132.7° | 0.1° |
| N6 | C27 | C29 | C30 | 165.6° | 65.0° |
| N6 | C27 | C29 | H45 | 45.1° | 175.0° |
| N6 | C27 | C29 | H46 | 74.0° | 55.0° |
| N6 | C27 | C28 | N7 | 47.6° | 180.0° |
| H43 | N6 | C27 | C28 | 119.9° | 25.0° |
| H43 | N6 | C27 | C29 | 3.4° | 95.0° |
| H43 | N6 | C27 | H44 | 121.5° | 145.0° |
| C28 | C27 | C29 | H44 | 116.6° | 120.0° |
| C27 | C28 | O9 | N7 | 179.7° | 179.9° |
| C28 | C27 | C29 | C30 | 40.8° | 175.0° |
| C28 | C27 | C29 | H45 | 79.7° | 55.0° |
| C28 | C27 | C29 | H46 | 161.2° | 65.0° |
| C27 | C28 | N7 | C36 | 178.9° | 180.0° |
| C27 | C28 | N7 | H52 | 1.1° | 0.1° |
| C28 | C27 | N6 | C25 | 60.1° | 155.0° |
| C29 | C27 | C28 | O9 | 102.9° | 120.1° |
| C27 | C29 | C30 | H45 | 120.5° | 120.0° |
| C27 | C29 | C30 | H46 | 120.4° | 120.0° |
| C27 | C29 | H45 | H46 | 118.6° | 120.0° |
| C27 | C29 | C30 | C31 | 104.9° | 90.0° |
| C27 | C29 | C30 | C32 | 73.7° | 90.2° |
| C29 | C27 | N6 | C25 | 176.6° | 85.0° |
| C29 | C27 | C28 | N7 | 76.8° | 60.1° |
| H44 | C27 | C28 | O9 | 13.6° | 120.0° |
| H44 | C27 | C29 | C30 | 75.8° | 55.0° |
| H44 | C27 | C29 | H45 | 163.7° | 65.0° |
| H44 | C27 | C29 | H46 | 44.6° | 175.0° |
| H44 | C27 | N6 | C25 | 58.5° | 35.0° |
| H44 | C27 | C28 | N7 | 166.7° | 59.9° |
| O9 | C28 | N7 | C36 | 0.9° | 0.1° |
| O9 | C28 | N7 | H52 | 179.2° | 180.0° |
| C30 | C29 | H45 | H46 | 118.6° | 120.0° |
| C29 | C30 | C31 | C32 | 178.6° | 179.8° |
| C29 | C30 | C31 | C33 | 179.4° | 180.0° |
| C29 | C30 | C31 | H47 | 0.6° | 0.0° |
| C29 | C30 | C32 | C34 | 179.3° | 180.0° |
| C29 | C30 | C32 | H48 | 0.7° | 0.1° |
| H45 | C29 | C30 | C31 | 15.6° | 30.0° |
| H45 | C29 | C30 | C32 | 165.8° | 149.8° |
| H46 | C29 | C30 | C31 | 134.7° | 150.0° |
| H46 | C29 | C30 | C32 | 46.7° | 29.8° |
| C30 | C31 | C33 | H47 | 180.0° | 180.0° |
| C31 | C30 | C32 | C34 | 0.7° | 0.2° |
| C31 | C30 | C32 | H48 | 179.3° | 179.7° |
| C30 | C31 | C33 | C35 | 0.4° | 0.1° |
| C30 | C31 | C33 | H49 | 179.6° | 180.0° |
| C32 | C30 | C31 | C33 | 0.8° | 0.2° |
| C32 | C30 | C31 | H47 | 179.2° | 179.8° |
| C30 | C32 | C34 | H48 | 180.0° | 179.9° |
| C30 | C32 | C34 | C35 | 0.3° | 0.2° |
| C30 | C32 | C34 | H50 | 179.8° | 180.0° |
| C31 | C33 | C35 | H49 | 180.0° | 179.9° |
| C31 | C33 | C35 | C34 | 0.0° | 0.4° |
| C31 | C33 | C35 | O10 | 179.9° | 180.0° |
| H47 | C31 | C33 | C35 | 179.6° | 179.9° |
| H47 | C31 | C33 | H49 | 0.4° | 0.0° |
| C32 | C34 | C35 | C33 | 0.1° | 0.4° |
| C32 | C34 | C35 | H50 | 180.0° | 179.8° |
| C32 | C34 | C35 | O10 | 180.0° | 180.0° |
| H48 | C32 | C34 | C35 | 179.7° | 180.0° |
| H48 | C32 | C34 | H50 | 0.2° | 0.1° |
| C33 | C35 | C34 | O10 | 179.9° | 179.6° |
| C33 | C35 | C34 | H50 | 179.9° | 179.7° |
| C33 | C35 | O10 | H51 | 180.0° | 89.9° |
| H49 | C33 | C35 | C34 | 180.0° | 179.7° |
| H49 | C33 | C35 | O10 | 0.1° | 0.1° |
| C34 | C35 | O10 | H51 | 0.2° | 89.7° |
| H50 | C34 | C35 | O10 | 0.0° | 0.1° |
| C36 | N7 | H52 | C28 | 180.0° | 179.9° |
| N7 | C36 | C37 | C46 | 123.6° | 120.0° |
| N7 | C36 | C37 | H53 | 118.8° | 120.0° |
| N7 | C36 | C46 | H53 | 119.0° | 120.0° |
| N7 | C36 | C37 | C38 | 67.5° | 65.0° |
| N7 | C36 | C37 | H54 | 171.9° | 175.0° |
| N7 | C36 | C37 | H55 | 53.1° | 55.0° |
| N7 | C36 | C46 | O11 | 145.4° | 0.0° |
| N7 | C36 | C46 | N9 | 34.6° | 180.0° |
| H52 | N7 | C36 | C37 | 12.8° | 95.1° |
| H52 | N7 | C36 | C46 | 110.5° | 24.9° |
| H52 | N7 | C36 | H53 | 131.0° | 144.9° |
| C37 | C36 | C46 | H53 | 117.6° | 120.0° |
| C36 | C37 | C38 | H54 | 120.6° | 120.0° |
| C36 | C37 | C38 | H55 | 120.6° | 120.0° |
| C36 | C37 | H54 | H55 | 118.2° | 120.0° |
| C36 | C37 | C38 | C39 | 112.8° | 95.0° |
| C36 | C37 | C38 | C45 | 66.4° | 84.7° |
| C37 | C36 | C46 | O11 | 91.2° | 120.0° |
| C37 | C36 | N7 | C28 | 167.2° | 85.1° |
| C37 | C36 | C46 | N9 | 88.8° | 60.0° |
| C46 | C36 | C37 | C38 | 168.9° | 175.0° |
| C46 | C36 | C37 | H54 | 48.4° | 55.0° |
| C46 | C36 | C37 | H55 | 70.5° | 65.0° |
| C36 | C46 | O11 | N9 | 180.0° | 180.0° |
| C36 | C46 | N9 | C47 | 176.5° | 180.0° |
| C36 | C46 | N9 | H62 | 3.5° | 0.1° |
| C46 | C36 | N7 | C28 | 69.6° | 155.0° |
| H53 | C36 | C37 | C38 | 51.3° | 55.0° |
| H53 | C36 | C37 | H54 | 69.3° | 65.0° |
| H53 | C36 | C37 | H55 | 171.9° | 175.0° |
| H53 | C36 | C46 | O11 | 26.4° | 120.0° |
| H53 | C36 | N7 | C28 | 48.9° | 34.9° |
| H53 | C36 | C46 | N9 | 153.6° | 60.0° |
| C38 | C37 | H54 | H55 | 118.2° | 120.0° |
| C37 | C38 | C39 | C45 | 179.4° | 179.8° |
| C37 | C38 | C39 | N8 | 180.0° | 180.0° |
| C37 | C38 | C39 | H56 | 0.0° | 0.0° |
| C37 | C38 | C45 | C40 | 179.8° | 179.9° |
| C37 | C38 | C45 | C44 | 0.5° | 0.7° |
| H54 | C37 | C38 | C39 | 126.6° | 145.0° |
| H54 | C37 | C38 | C45 | 54.2° | 35.2° |
| H55 | C37 | C38 | C39 | 7.8° | 25.0° |
| H55 | C37 | C38 | C45 | 173.0° | 155.2° |
| C38 | C39 | N8 | H56 | 180.0° | 180.0° |
| C38 | C39 | N8 | C40 | 0.7° | 0.0° |
| C38 | C39 | N8 | H57 | 179.3° | 180.0° |
| C39 | C38 | C45 | C40 | 0.4° | 0.3° |
| C39 | C38 | C45 | C44 | 179.8° | 179.5° |
| C45 | C38 | C39 | N8 | 0.7° | 0.2° |
| C45 | C38 | C39 | H56 | 179.4° | 179.8° |
| C38 | C45 | C40 | N8 | 0.0° | 0.3° |
| C38 | C45 | C40 | C41 | 179.9° | 179.9° |
| C38 | C45 | C40 | C44 | 179.8° | 179.3° |
| C38 | C45 | C44 | C43 | 179.8° | 179.7° |
| C38 | C45 | C44 | H61 | 0.2° | 0.7° |
| C39 | N8 | C40 | H57 | 180.0° | 180.0° |
| C39 | N8 | C40 | C41 | 179.7° | 180.0° |
| C39 | N8 | C40 | C45 | 0.4° | 0.2° |
| H56 | C39 | N8 | C40 | 179.4° | 180.0° |
| H56 | C39 | N8 | H57 | 0.7° | 0.0° |
| N8 | C40 | C41 | C45 | 179.8° | 179.8° |
| N8 | C40 | C41 | C42 | 179.9° | 180.0° |
| N8 | C40 | C41 | H58 | 0.1° | 0.0° |
| N8 | C40 | C45 | C44 | 179.8° | 179.7° |
| H57 | N8 | C40 | C41 | 0.3° | 0.0° |
| H57 | N8 | C40 | C45 | 179.6° | 179.8° |
| C40 | C41 | C42 | H58 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 0.0° | 0.0° |
| C40 | C41 | C42 | H59 | 180.0° | 180.0° |
| C41 | C40 | C45 | C44 | 0.0° | 0.5° |
| C45 | C40 | C41 | C42 | 0.0° | 0.2° |
| C45 | C40 | C41 | H58 | 180.0° | 179.8° |
| C40 | C45 | C44 | C43 | 0.1° | 0.6° |
| C40 | C45 | C44 | H61 | 179.9° | 179.8° |
| C41 | C42 | C43 | H59 | 180.0° | 180.0° |
| C41 | C42 | C43 | C44 | 0.0° | 0.0° |
| C41 | C42 | C43 | H60 | 180.0° | 180.0° |
| H58 | C41 | C42 | C43 | 180.0° | 180.0° |
| H58 | C41 | C42 | H59 | 0.0° | 0.0° |
| C42 | C43 | C44 | H60 | 180.0° | 179.9° |
| C42 | C43 | C44 | C45 | 0.1° | 0.4° |
| C42 | C43 | C44 | H61 | 179.9° | 180.0° |
| H59 | C42 | C43 | C44 | 180.0° | 179.9° |
| H59 | C42 | C43 | H60 | 0.0° | 0.0° |
| C43 | C44 | C45 | H61 | 180.0° | 179.6° |
| H60 | C43 | C44 | C45 | 179.9° | 179.7° |
| H60 | C43 | C44 | H61 | 0.1° | 0.1° |
| O11 | C46 | N9 | C47 | 3.5° | 0.0° |
| O11 | C46 | N9 | H62 | 176.5° | 180.0° |
| C47 | N9 | H62 | C46 | 180.0° | 180.0° |
| N9 | C47 | C48 | C49 | 121.9° | 119.9° |
| N9 | C47 | C48 | H63 | 119.6° | 120.0° |
| N9 | C47 | C49 | H63 | 119.3° | 120.0° |
| N9 | C47 | C48 | H64 | 180.0° | 60.0° |
| N9 | C47 | C48 | H65 | 60.0° | 60.1° |
| N9 | C47 | C48 | H66 | 60.0° | 180.0° |
| N9 | C47 | C49 | O12 | 140.4° | 0.0° |
| N9 | C47 | C49 | N10 | 39.9° | 180.0° |
| H62 | N9 | C47 | C48 | 8.6° | 95.0° |
| H62 | N9 | C47 | C49 | 113.4° | 25.0° |
| H62 | N9 | C47 | H63 | 127.8° | 145.0° |
| C48 | C47 | C49 | H63 | 118.6° | 120.1° |
| C47 | C48 | H64 | H65 | 120.0° | 120.0° |
| C47 | C48 | H64 | H66 | 120.0° | 120.0° |
| C47 | C48 | H65 | H66 | 120.0° | 119.9° |
| C48 | C47 | C49 | O12 | 97.5° | 120.0° |
| C48 | C47 | N9 | C46 | 171.4° | 85.1° |
| C48 | C47 | C49 | N10 | 82.3° | 60.0° |
| C49 | C47 | C48 | H64 | 58.1° | 60.0° |
| C49 | C47 | C48 | H65 | 61.9° | 180.0° |
| C49 | C47 | C48 | H66 | 178.1° | 60.1° |
| C47 | C49 | O12 | N10 | 179.8° | 180.0° |
| C47 | C49 | N10 | C50 | 178.0° | 180.0° |
| C47 | C49 | N10 | H67 | 2.0° | 0.0° |
| C49 | C47 | N9 | C46 | 66.6° | 155.0° |
| H63 | C47 | C48 | H64 | 60.4° | 180.0° |
| H63 | C47 | C48 | H65 | 179.6° | 60.0° |
| H63 | C47 | C48 | H66 | 59.6° | 60.0° |
| H63 | C47 | C49 | O12 | 21.1° | 120.0° |
| H63 | C47 | N9 | C46 | 52.2° | 35.0° |
| H63 | C47 | C49 | N10 | 159.2° | 60.0° |
| H64 | C48 | H65 | H66 | 119.9° | 120.0° |
| O12 | C49 | N10 | C50 | 2.2° | 0.0° |
| O12 | C49 | N10 | H67 | 177.8° | 180.0° |
| C50 | N10 | H67 | C49 | 180.0° | 180.0° |
| N10 | C50 | C51 | C52 | 122.3° | 120.0° |
| N10 | C50 | C51 | H68 | 119.7° | 120.1° |
| N10 | C50 | C52 | H68 | 119.6° | 120.0° |
| N10 | C50 | C51 | O13 | 133.0° | 0.0° |
| N10 | C50 | C52 | O14 | 173.2° | 65.0° |
| N10 | C50 | C52 | H69 | 53.0° | 55.0° |
| N10 | C50 | C52 | H70 | 66.6° | 175.0° |
| N10 | C50 | C51 | N11 | 47.0° | 180.0° |
| H67 | N10 | C50 | C51 | 115.3° | 25.0° |
| H67 | N10 | C50 | C52 | 6.5° | 95.0° |
| H67 | N10 | C50 | H68 | 125.6° | 145.0° |
| C51 | C50 | C52 | H68 | 118.1° | 119.9° |
| C50 | C51 | O13 | N11 | 180.0° | 180.0° |
| C51 | C50 | C52 | O14 | 50.9° | 55.0° |
| C51 | C50 | C52 | H69 | 69.4° | 175.1° |
| C51 | C50 | C52 | H70 | 171.1° | 64.9° |
| C50 | C51 | N11 | C53 | 179.9° | 180.0° |
| C50 | C51 | N11 | H72 | 0.1° | 0.0° |
| C51 | C50 | N10 | C49 | 64.7° | 155.0° |
| C52 | C50 | C51 | O13 | 104.7° | 120.0° |
| C50 | C52 | O14 | H69 | 120.2° | 120.0° |
| C50 | C52 | O14 | H70 | 120.2° | 120.0° |
| C50 | C52 | H69 | H70 | 119.3° | 120.0° |
| C50 | C52 | O14 | H71 | 180.0° | 180.0° |
| C52 | C50 | N10 | C49 | 173.4° | 85.0° |
| C52 | C50 | C51 | N11 | 75.3° | 60.0° |
| H68 | C50 | C51 | O13 | 13.3° | 120.1° |
| H68 | C50 | C52 | O14 | 67.2° | 175.0° |
| H68 | C50 | C52 | H69 | 172.6° | 65.0° |
| H68 | C50 | C52 | H70 | 53.0° | 55.0° |
| H68 | C50 | N10 | C49 | 54.4° | 35.0° |
| H68 | C50 | C51 | N11 | 166.7° | 59.9° |
| O13 | C51 | N11 | C53 | 0.1° | 0.0° |
| O13 | C51 | N11 | H72 | 179.9° | 180.0° |
| O14 | C52 | H69 | H70 | 119.3° | 120.0° |
| H69 | C52 | O14 | H71 | 59.8° | 60.0° |
| H70 | C52 | O14 | H71 | 59.8° | 60.0° |
| C53 | N11 | H72 | C51 | 180.0° | 180.0° |
| N11 | C53 | C54 | C58 | 123.6° | 120.0° |
| N11 | C53 | C54 | H73 | 118.9° | 120.0° |
| N11 | C53 | C58 | H73 | 119.4° | 120.0° |
| N11 | C53 | C54 | C55 | 178.6° | 65.0° |
| N11 | C53 | C54 | H74 | 60.6° | 175.0° |
| N11 | C53 | C54 | H75 | 57.8° | 55.0° |
| N11 | C53 | C58 | O15 | 133.0° | 0.0° |
| N11 | C53 | C58 | N12 | 46.9° | 180.0° |
| H72 | N11 | C53 | C54 | 3.0° | 95.0° |
| H72 | N11 | C53 | C58 | 119.8° | 25.0° |
| H72 | N11 | C53 | H73 | 121.3° | 145.0° |
| C54 | C53 | C58 | H73 | 117.5° | 120.0° |
| C53 | C54 | C55 | H74 | 120.8° | 120.0° |
| C53 | C54 | C55 | H75 | 120.8° | 120.0° |
| C53 | C54 | H74 | H75 | 117.4° | 120.0° |
| C53 | C54 | C55 | C56 | 177.3° | 65.0° |
| C53 | C54 | C55 | C57 | 59.4° | 175.0° |
| C53 | C54 | C55 | H76 | 58.7° | 55.0° |
| C54 | C53 | C58 | O15 | 103.9° | 120.0° |
| C54 | C53 | N11 | C51 | 177.0° | 85.0° |
| C54 | C53 | C58 | N12 | 76.2° | 60.0° |
| C58 | C53 | C54 | C55 | 57.8° | 175.0° |
| C58 | C53 | C54 | H74 | 63.0° | 55.0° |
| C58 | C53 | C54 | H75 | 178.7° | 65.0° |
| C53 | C58 | O15 | N12 | 179.9° | 180.0° |
| C53 | C58 | N12 | C59 | 177.6° | 180.0° |
| C53 | C58 | N12 | H83 | 2.4° | 0.0° |
| C58 | C53 | N11 | C51 | 60.2° | 155.0° |
| H73 | C53 | C54 | C55 | 59.7° | 55.0° |
| H73 | C53 | C54 | H74 | 179.5° | 65.0° |
| H73 | C53 | C54 | H75 | 61.1° | 175.0° |
| H73 | C53 | C58 | O15 | 13.6° | 120.0° |
| H73 | C53 | N11 | C51 | 58.7° | 35.0° |
| H73 | C53 | C58 | N12 | 166.3° | 60.0° |
| C55 | C54 | H74 | H75 | 117.4° | 120.0° |
| C54 | C55 | C56 | C57 | 123.1° | 120.0° |
| C54 | C55 | C56 | H76 | 118.5° | 120.0° |
| C54 | C55 | C57 | H76 | 118.1° | 120.0° |
| C54 | C55 | C56 | H77 | 180.0° | 180.0° |
| C54 | C55 | C56 | H78 | 60.0° | 60.0° |
| C54 | C55 | C56 | H79 | 60.0° | 60.0° |
| C54 | C55 | C57 | H80 | 180.0° | 60.1° |
| C54 | C55 | C57 | H81 | 60.0° | 180.0° |
| C54 | C55 | C57 | H82 | 60.0° | 60.0° |
| H74 | C54 | C55 | C56 | 56.5° | 55.0° |
| H74 | C54 | C55 | C57 | 179.8° | 65.0° |
| H74 | C54 | C55 | H76 | 62.1° | 175.0° |
| H75 | C54 | C55 | C56 | 61.9° | 175.0° |
| H75 | C54 | C55 | C57 | 61.4° | 55.0° |
| H75 | C54 | C55 | H76 | 179.5° | 65.0° |
| C56 | C55 | C57 | H76 | 118.5° | 120.0° |
| C55 | C56 | H77 | H78 | 120.0° | 120.0° |
| C55 | C56 | H77 | H79 | 120.0° | 120.0° |
| C55 | C56 | H78 | H79 | 120.0° | 120.0° |
| C56 | C55 | C57 | H80 | 56.5° | 180.0° |
| C56 | C55 | C57 | H81 | 63.5° | 60.0° |
| C56 | C55 | C57 | H82 | 176.5° | 60.0° |
| C57 | C55 | C56 | H77 | 56.9° | 60.0° |
| C57 | C55 | C56 | H78 | 176.9° | 180.0° |
| C57 | C55 | C56 | H79 | 63.1° | 60.0° |
| C55 | C57 | H80 | H81 | 120.0° | 119.9° |
| C55 | C57 | H80 | H82 | 120.0° | 120.1° |
| C55 | C57 | H81 | H82 | 120.0° | 120.0° |
| H76 | C55 | C56 | H77 | 61.5° | 60.0° |
| H76 | C55 | C56 | H78 | 58.5° | 60.0° |
| H76 | C55 | C56 | H79 | 178.5° | 180.0° |
| H76 | C55 | C57 | H80 | 62.0° | 59.9° |
| H76 | C55 | C57 | H81 | 178.0° | 60.0° |
| H76 | C55 | C57 | H82 | 58.1° | 180.0° |
| H77 | C56 | H78 | H79 | 120.0° | 119.9° |
| H80 | C57 | H81 | H82 | 120.0° | 120.0° |
| O15 | C58 | N12 | C59 | 2.3° | 0.0° |
| O15 | C58 | N12 | H83 | 177.7° | 179.9° |
| C59 | N12 | H83 | C58 | 180.0° | 180.0° |
| N12 | C59 | C60 | C61 | 122.9° | 120.0° |
| N12 | C59 | C60 | H84 | 119.5° | 120.0° |
| N12 | C59 | C61 | H84 | 119.2° | 120.0° |
| N12 | C59 | C60 | O16 | 136.1° | 0.0° |
| N12 | C59 | C61 | C62 | 165.3° | 65.0° |
| N12 | C59 | C61 | H85 | 44.7° | 175.0° |
| N12 | C59 | C61 | H86 | 74.1° | 55.0° |
| N12 | C59 | C60 | N15 | 43.5° | 180.0° |
| H83 | N12 | C59 | C60 | 124.2° | 25.0° |
| H83 | N12 | C59 | C61 | 1.9° | 95.0° |
| H83 | N12 | C59 | H84 | 116.7° | 145.0° |
| C60 | C59 | C61 | H84 | 117.6° | 120.0° |
| C59 | C60 | O16 | N15 | 179.5° | 180.0° |
| C60 | C59 | C61 | C62 | 42.1° | 175.0° |
| C60 | C59 | C61 | H85 | 78.6° | 55.0° |
| C60 | C59 | C61 | H86 | 162.7° | 65.0° |
| C59 | C60 | N15 | C65 | 178.3° | 180.0° |
| C59 | C60 | N15 | H91 | 1.7° | 0.0° |
| C60 | C59 | N12 | C58 | 55.8° | 155.0° |
| C61 | C59 | C60 | O16 | 101.0° | 120.0° |
| C59 | C61 | C62 | H85 | 120.6° | 120.1° |
| C59 | C61 | C62 | H86 | 120.6° | 120.0° |
| C59 | C61 | H85 | H86 | 118.1° | 120.0° |
| C59 | C61 | C62 | N13 | 99.8° | 95.0° |
| C59 | C61 | C62 | C63 | 80.1° | 85.3° |
| C61 | C59 | N12 | C58 | 178.1° | 85.0° |
| C61 | C59 | C60 | N15 | 79.5° | 60.0° |
| H84 | C59 | C60 | O16 | 16.5° | 120.0° |
| H84 | C59 | C61 | C62 | 75.6° | 55.0° |
| H84 | C59 | C61 | H85 | 163.8° | 65.0° |
| H84 | C59 | C61 | H86 | 45.1° | 175.0° |
| H84 | C59 | N12 | C58 | 63.3° | 35.0° |
| H84 | C59 | C60 | N15 | 163.0° | 60.0° |
| O16 | C60 | N15 | C65 | 2.2° | 0.0° |
| O16 | C60 | N15 | H91 | 177.8° | 180.0° |
| C62 | C61 | H85 | H86 | 118.0° | 120.0° |
| C61 | C62 | N13 | C63 | 179.9° | 179.8° |
| C61 | C62 | N13 | C64 | 179.9° | 180.0° |
| C61 | C62 | N13 | H87 | 0.0° | 0.1° |
| C61 | C62 | C63 | N14 | 179.9° | 180.0° |
| C61 | C62 | C63 | H88 | 0.1° | 0.0° |
| H85 | C61 | C62 | N13 | 20.8° | 25.1° |
| H85 | C61 | C62 | C63 | 159.3° | 154.7° |
| H86 | C61 | C62 | N13 | 139.6° | 145.1° |
| H86 | C61 | C62 | C63 | 40.6° | 34.7° |
| C62 | N13 | C64 | H87 | 180.0° | 179.9° |
| N13 | C62 | C63 | N14 | 0.1° | 0.2° |
| N13 | C62 | C63 | H88 | 179.9° | 179.8° |
| C62 | N13 | C64 | N14 | 0.0° | 0.1° |
| C62 | N13 | C64 | H89 | 180.0° | 180.0° |
| C63 | C62 | N13 | C64 | 0.1° | 0.2° |
| C63 | C62 | N13 | H87 | 179.9° | 179.7° |
| C62 | C63 | N14 | H88 | 180.0° | 180.0° |
| C62 | C63 | N14 | C64 | 0.0° | 0.2° |
| C62 | C63 | N14 | H90 | 180.0° | 179.9° |
| N13 | C64 | N14 | C63 | 0.0° | 0.0° |
| N13 | C64 | N14 | H89 | 180.0° | 179.9° |
| N13 | C64 | N14 | H90 | 180.0° | 179.8° |
| H87 | N13 | C64 | N14 | 179.9° | 179.8° |
| H87 | N13 | C64 | H89 | 0.1° | 0.1° |
| C63 | N14 | C64 | H90 | 180.0° | 179.8° |
| C63 | N14 | C64 | H89 | 180.0° | 179.9° |
| H88 | C63 | N14 | C64 | 179.9° | 179.8° |
| H88 | C63 | N14 | H90 | 0.0° | 0.1° |
| H89 | C64 | N14 | H90 | 0.0° | 0.1° |
| C65 | N15 | H91 | C60 | 180.0° | 180.0° |
| N15 | C65 | C66 | C67 | 122.6° | 120.0° |
| N15 | C65 | C66 | H92 | 119.7° | 120.0° |
| N15 | C65 | C67 | H92 | 118.9° | 120.0° |
| N15 | C65 | C66 | O17 | 136.5° | 0.0° |
| N15 | C65 | C67 | S2 | 170.2° | 65.0° |
| N15 | C65 | C67 | H93 | 69.1° | 175.0° |
| N15 | C65 | C67 | H94 | 49.5° | 55.0° |
| N15 | C65 | C66 | N16 | 43.9° | 180.0° |
| H91 | N15 | C65 | C66 | 111.1° | 25.0° |
| H91 | N15 | C65 | C67 | 11.4° | 95.0° |
| H91 | N15 | C65 | H92 | 129.7° | 145.0° |
| C66 | C65 | C67 | H92 | 117.7° | 120.0° |
| C65 | C66 | O17 | N16 | 179.6° | 180.0° |
| C66 | C65 | C67 | S2 | 66.4° | 175.0° |
| C66 | C65 | C67 | H93 | 54.3° | 55.0° |
| C66 | C65 | C67 | H94 | 172.9° | 65.0° |
| C65 | C66 | N16 | C68 | 179.4° | 174.6° |
| C65 | C66 | N16 | H96 | 0.6° | 5.4° |
| C66 | C65 | N15 | C60 | 68.9° | 155.0° |
| C67 | C65 | C66 | O17 | 100.9° | 120.0° |
| C65 | C67 | S2 | H93 | 120.7° | 120.0° |
| C65 | C67 | S2 | H94 | 120.7° | 120.0° |
| C65 | C67 | H93 | H94 | 117.9° | 120.0° |
| C65 | C67 | S2 | H95 | 180.0° | 180.0° |
| C67 | C65 | N15 | C60 | 168.6° | 85.0° |
| C67 | C65 | C66 | N16 | 78.8° | 60.0° |
| H92 | C65 | C66 | O17 | 16.8° | 120.0° |
| H92 | C65 | C67 | S2 | 51.3° | 55.0° |
| H92 | C65 | C67 | H93 | 172.0° | 65.0° |
| H92 | C65 | C67 | H94 | 69.4° | 175.0° |
| H92 | C65 | N15 | C60 | 50.2° | 35.0° |
| H92 | C65 | C66 | N16 | 163.6° | 60.0° |
| O17 | C66 | N16 | C68 | 0.9° | 5.4° |
| O17 | C66 | N16 | H96 | 179.1° | 174.6° |
| S2 | C67 | H93 | H94 | 117.8° | 120.0° |
| H93 | C67 | S2 | H95 | 59.3° | 60.0° |
| H94 | C67 | S2 | H95 | 59.3° | 60.0° |
| C68 | N16 | H96 | C66 | 180.0° | 180.0° |
| N16 | C68 | C69 | C70 | 124.9° | 120.0° |
| N16 | C68 | C69 | H97 | 118.0° | 120.1° |
| N16 | C68 | C70 | H97 | 118.1° | 120.0° |
| N16 | C68 | C69 | O18 | 135.5° | 2.6° |
| N16 | C68 | C70 | C71 | 68.9° | 53.7° |
| N16 | C68 | C70 | C72 | 167.9° | 66.3° |
| N16 | C68 | C70 | H98 | 49.5° | 173.6° |
| N16 | C68 | C69 | N17 | 44.0° | 177.4° |
| H96 | N16 | C68 | C69 | 114.4° | 34.2° |
| H96 | N16 | C68 | C70 | 10.6° | 85.8° |
| H96 | N16 | C68 | H97 | 128.1° | 154.3° |
| C69 | C68 | C70 | H97 | 117.2° | 120.0° |
| C68 | C69 | O18 | N17 | 179.5° | 180.0° |
| C69 | C68 | C70 | C71 | 166.4° | 66.3° |
| C69 | C68 | C70 | C72 | 43.2° | 173.7° |
| C69 | C68 | C70 | H98 | 75.2° | 53.6° |
| C68 | C69 | N17 | C74 | 176.6° | 175.6° |
| C68 | C69 | N17 | H107 | 3.4° | 4.4° |
| C69 | C68 | N16 | C66 | 65.6° | 145.7° |
| C70 | C68 | C69 | O18 | 99.6° | 117.4° |
| C68 | C70 | C71 | C72 | 123.3° | 120.1° |
| C68 | C70 | C71 | H98 | 118.2° | 120.0° |
| C68 | C70 | C72 | H98 | 118.3° | 120.0° |
| C68 | C70 | C71 | C73 | 178.3° | 66.5° |
| C68 | C70 | C71 | H99 | 61.1° | 53.4° |
| C68 | C70 | C71 | H100 | 57.7° | 173.4° |
| C68 | C70 | C72 | H101 | 180.0° | 60.5° |
| C68 | C70 | C72 | H102 | 60.0° | 179.5° |
| C68 | C70 | C72 | H103 | 60.0° | 59.4° |
| C70 | C68 | N16 | C66 | 169.4° | 94.3° |
| C70 | C68 | C69 | N17 | 80.8° | 62.6° |
| H97 | C68 | C69 | O18 | 17.5° | 122.7° |
| H97 | C68 | C70 | C71 | 49.2° | 173.7° |
| H97 | C68 | C70 | C72 | 74.0° | 53.7° |
| H97 | C68 | C70 | H98 | 167.6° | 66.3° |
| H97 | C68 | N16 | C66 | 51.9° | 25.7° |
| H97 | C68 | C69 | N17 | 162.0° | 57.3° |
| O18 | C69 | N17 | C74 | 3.8° | 4.4° |
| O18 | C69 | N17 | H107 | 176.2° | 175.6° |
| C71 | C70 | C72 | H98 | 118.5° | 119.9° |
| C70 | C71 | C73 | H99 | 120.6° | 119.9° |
| C70 | C71 | C73 | H100 | 120.6° | 120.0° |
| C70 | C71 | H99 | H100 | 118.1° | 120.0° |
| C71 | C70 | C72 | H101 | 56.8° | 179.5° |
| C71 | C70 | C72 | H102 | 63.2° | 59.4° |
| C71 | C70 | C72 | H103 | 176.8° | 60.6° |
| C70 | C71 | C73 | H104 | 180.0° | 166.3° |
| C70 | C71 | C73 | H105 | 60.0° | 46.3° |
| C70 | C71 | C73 | H106 | 60.0° | 73.7° |
| C72 | C70 | C71 | C73 | 55.0° | 173.4° |
| C72 | C70 | C71 | H99 | 175.7° | 66.6° |
| C72 | C70 | C71 | H100 | 65.6° | 53.3° |
| C70 | C72 | H101 | H102 | 120.0° | 120.0° |
| C70 | C72 | H101 | H103 | 120.0° | 119.9° |
| C70 | C72 | H102 | H103 | 120.0° | 120.0° |
| H98 | C70 | C71 | C73 | 63.5° | 53.5° |
| H98 | C70 | C71 | H99 | 57.1° | 173.5° |
| H98 | C70 | C71 | H100 | 175.9° | 66.6° |
| H98 | C70 | C72 | H101 | 61.7° | 59.6° |
| H98 | C70 | C72 | H102 | 178.3° | 60.5° |
| H98 | C70 | C72 | H103 | 58.3° | 179.5° |
| C73 | C71 | H99 | H100 | 118.1° | 120.1° |
| C71 | C73 | H104 | H105 | 120.0° | 120.0° |
| C71 | C73 | H104 | H106 | 120.0° | 120.0° |
| C71 | C73 | H105 | H106 | 120.0° | 120.1° |
| H99 | C71 | C73 | H104 | 59.4° | 73.7° |
| H99 | C71 | C73 | H105 | 179.4° | 166.3° |
| H99 | C71 | C73 | H106 | 60.6° | 46.2° |
| H100 | C71 | C73 | H104 | 59.4° | 46.3° |
| H100 | C71 | C73 | H105 | 60.6° | 73.7° |
| H100 | C71 | C73 | H106 | 179.4° | 166.2° |
| H101 | C72 | H102 | H103 | 120.0° | 120.0° |
| H104 | C73 | H105 | H106 | 120.0° | 119.9° |
| C74 | N17 | H107 | C69 | 180.0° | 180.0° |
| N17 | C74 | C75 | C78 | 127.6° | 120.0° |
| N17 | C74 | C75 | H108 | 116.1° | 120.0° |
| N17 | C74 | C78 | H108 | 117.1° | 120.0° |
| N17 | C74 | C75 | C76 | 101.3° | 54.5° |
| N17 | C74 | C75 | C77 | 134.3° | 65.6° |
| N17 | C74 | C75 | H109 | 16.1° | 174.4° |
| N17 | C74 | C78 | O19 | 148.6° | 7.1° |
| N17 | C74 | C78 | N18 | 30.3° | 172.9° |
| H107 | N17 | C74 | C75 | 19.8° | 95.0° |
| H107 | N17 | C74 | C78 | 108.2° | 25.0° |
| H107 | N17 | C74 | H108 | 135.2° | 145.0° |
| C75 | C74 | C78 | H108 | 116.2° | 120.0° |
| C74 | C75 | C76 | C77 | 124.7° | 120.0° |
| C74 | C75 | C76 | H109 | 117.2° | 120.0° |
| C74 | C75 | C77 | H109 | 118.0° | 120.0° |
| C74 | C75 | C76 | H110 | 180.0° | 60.0° |
| C74 | C75 | C76 | H111 | 60.0° | 180.0° |
| C74 | C75 | C76 | H112 | 60.0° | 60.0° |
| C74 | C75 | C77 | H113 | 180.0° | 52.9° |
| C74 | C75 | C77 | H114 | 60.0° | 172.9° |
| C74 | C75 | C77 | H115 | 60.0° | 67.2° |
| C75 | C74 | C78 | O19 | 84.7° | 112.9° |
| C75 | C74 | N17 | C69 | 160.2° | 85.0° |
| C75 | C74 | C78 | N18 | 96.4° | 67.1° |
| C78 | C74 | C75 | C76 | 131.1° | 65.5° |
| C78 | C74 | C75 | C77 | 6.7° | 174.4° |
| C78 | C74 | C75 | H109 | 111.5° | 54.4° |
| C74 | C78 | O19 | N18 | 178.9° | 179.9° |
| C74 | C78 | N18 | C79 | 179.4° | 175.0° |
| C74 | C78 | N18 | H116 | 0.6° | 4.9° |
| C78 | C74 | N17 | C69 | 71.8° | 155.0° |
| H108 | C74 | C75 | C76 | 14.8° | 174.5° |
| H108 | C74 | C75 | C77 | 109.6° | 54.4° |
| H108 | C74 | C75 | H109 | 132.2° | 65.5° |
| H108 | C74 | C78 | O19 | 31.5° | 127.1° |
| H108 | C74 | N17 | C69 | 44.8° | 35.0° |
| H108 | C74 | C78 | N18 | 147.4° | 52.9° |
| C76 | C75 | C77 | H109 | 118.2° | 120.0° |
| C75 | C76 | H110 | H111 | 120.0° | 120.0° |
| C75 | C76 | H110 | H112 | 120.0° | 120.0° |
| C75 | C76 | H111 | H112 | 120.0° | 120.1° |
| C76 | C75 | C77 | H113 | 56.2° | 172.9° |
| C76 | C75 | C77 | H114 | 63.8° | 67.1° |
| C76 | C75 | C77 | H115 | 176.2° | 52.8° |
| C77 | C75 | C76 | H110 | 55.4° | 60.0° |
| C77 | C75 | C76 | H111 | 175.3° | 60.0° |
| C77 | C75 | C76 | H112 | 64.7° | 180.0° |
| C75 | C77 | H113 | H114 | 120.0° | 120.0° |
| C75 | C77 | H113 | H115 | 120.0° | 120.0° |
| C75 | C77 | H114 | H115 | 120.0° | 119.9° |
| H109 | C75 | C76 | H110 | 62.8° | 180.0° |
| H109 | C75 | C76 | H111 | 57.2° | 60.1° |
| H109 | C75 | C76 | H112 | 177.2° | 60.0° |
| H109 | C75 | C77 | H113 | 62.0° | 67.1° |
| H109 | C75 | C77 | H114 | 178.0° | 52.9° |
| H109 | C75 | C77 | H115 | 58.0° | 172.8° |
| H110 | C76 | H111 | H112 | 120.0° | 119.9° |
| H113 | C77 | H114 | H115 | 120.0° | 120.0° |
| O19 | C78 | N18 | C79 | 0.5° | 5.1° |
| O19 | C78 | N18 | H116 | 179.5° | 175.0° |
| C79 | N18 | H116 | C78 | 180.0° | 179.9° |
| N18 | C79 | C80 | C81 | 123.5° | 120.0° |
| N18 | C79 | C80 | H117 | 119.3° | 119.9° |
| N18 | C79 | C81 | H117 | 118.7° | 120.0° |
| N18 | C79 | C80 | O20 | 2.1° | 0.0° |
| N18 | C79 | C81 | O21 | 60.2° | 65.0° |
| N18 | C79 | C81 | H118 | 60.0° | 54.9° |
| N18 | C79 | C81 | H119 | 179.5° | 175.0° |
| N18 | C79 | C80 | N19 | 177.9° | 180.0° |
| H116 | N18 | C79 | C80 | 87.6° | 25.1° |
| H116 | N18 | C79 | C81 | 35.5° | 95.0° |
| H116 | N18 | C79 | H117 | 153.6° | 145.0° |
| C80 | C79 | C81 | H117 | 117.2° | 120.0° |
| C79 | C80 | O20 | N19 | 180.0° | 180.0° |
| C80 | C79 | C81 | O21 | 63.9° | 55.0° |
| C80 | C79 | C81 | H118 | 175.8° | 175.0° |
| C80 | C79 | C81 | H119 | 56.3° | 65.0° |
| C79 | C80 | N19 | H121 | 180.0° | 0.0° |
| C79 | C80 | N19 | H122 | 0.0° | 179.9° |
| C80 | C79 | N18 | C78 | 92.4° | 155.0° |
| C81 | C79 | C80 | O20 | 121.4° | 120.0° |
| C79 | C81 | O21 | H118 | 120.3° | 120.0° |
| C79 | C81 | O21 | H119 | 120.3° | 120.0° |
| C79 | C81 | H118 | H119 | 119.3° | 120.0° |
| C79 | C81 | O21 | H120 | 79.6° | 180.0° |
| C81 | C79 | N18 | C78 | 144.5° | 84.9° |
| C81 | C79 | C80 | N19 | 58.6° | 60.0° |
| H117 | C79 | C80 | O20 | 121.4° | 120.0° |
| H117 | C79 | C81 | O21 | 178.9° | 175.0° |
| H117 | C79 | C81 | H118 | 58.6° | 65.0° |
| H117 | C79 | C81 | H119 | 60.9° | 55.0° |
| H117 | C79 | N18 | C78 | 26.4° | 35.0° |
| H117 | C79 | C80 | N19 | 58.6° | 60.0° |
| O20 | C80 | N19 | H121 | 0.0° | 180.0° |
| O20 | C80 | N19 | H122 | 180.0° | 0.1° |
| O21 | C81 | H118 | H119 | 119.2° | 120.0° |
| H118 | C81 | O21 | H120 | 40.6° | 60.0° |
| H119 | C81 | O21 | H120 | 160.1° | 60.0° |
| H121 | N19 | H122 | C80 | 180.0° | 179.9° |
