PRD_002513
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 | 0.00Å | |
| N1 | C6 | sing | 1.47Å | 0.00Å | |
| C3 | C4 | sing | 1.54Å | 0.00Å | |
| C3 | C7 | sing | 1.51Å | 0.00Å | |
| C3 | H4 | sing | 1.09Å | 0.00Å | |
| C4 | C5 | sing | 1.55Å | 0.00Å | |
| C4 | H5 | sing | 1.09Å | 0.00Å | |
| C4 | H6 | sing | 1.09Å | 0.00Å | |
| C5 | C6 | sing | 1.55Å | 0.00Å | |
| C5 | H7 | sing | 1.09Å | 0.00Å | |
| C5 | H8 | sing | 1.09Å | 0.00Å | |
| C6 | H9 | sing | 1.09Å | 0.00Å | |
| C6 | H10 | sing | 1.09Å | 0.00Å | |
| C7 | O2 | doub | 1.21Å | 0.00Å | |
| N2 | C8 | sing | 1.46Å | 1.48Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | N3 | sing | 1.34Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.35Å | 1.36Å | Aromatic |
| N3 | C13 | doub | 1.31Å | 1.32Å | Aromatic |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| C12 | N4 | sing | 1.37Å | 1.38Å | Aromatic |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | N4 | sing | 1.35Å | 1.32Å | Aromatic |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| N5 | C14 | sing | 1.46Å | 1.48Å | |
| N5 | H19 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.55Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | O4 | doub | 1.21Å | 1.24Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | O5 | doub | 1.21Å | 1.25Å | |
| C18 | O6 | sing | 1.34Å | 1.25Å | |
| O6 | H25 | sing | 0.97Å | 0.95Å | |
| N6 | C19 | sing | 1.47Å | 1.45Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.50Å | |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | O7 | doub | 1.21Å | 1.25Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | S1 | sing | 1.81Å | 1.76Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| S1 | C23 | sing | 1.81Å | 1.76Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| N7 | C24 | sing | 1.46Å | 1.45Å | |
| N7 | H35 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.54Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | O8 | doub | 1.21Å | 1.24Å | |
| C26 | S2 | sing | 1.81Å | 1.82Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| S2 | H39 | sing | 1.34Å | 1.30Å | |
| N8 | C27 | sing | 1.46Å | 1.47Å | |
| N8 | H40 | sing | 0.97Å | 1.00Å | |
| C27 | C28 | sing | 1.51Å | 1.53Å | |
| C27 | C29 | sing | 1.53Å | 1.52Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | O9 | doub | 1.21Å | 1.23Å | |
| C29 | C30 | sing | 1.51Å | 1.51Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | H44 | sing | 1.08Å | 1.08Å | |
| C32 | C34 | doub | 1.38Å | 1.36Å | Aromatic |
| C32 | H45 | sing | 1.08Å | 1.08Å | |
| C33 | C35 | doub | 1.39Å | 1.37Å | Aromatic |
| C33 | H46 | sing | 1.08Å | 1.08Å | |
| C34 | C35 | sing | 1.39Å | 1.38Å | Aromatic |
| C34 | H47 | sing | 1.08Å | 1.08Å | |
| C35 | O10 | sing | 1.36Å | 1.40Å | |
| O10 | H48 | sing | 0.97Å | 0.95Å | |
| N9 | C36 | sing | 1.46Å | 1.47Å | |
| N9 | H49 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | C46 | sing | 1.51Å | 1.50Å | |
| C36 | H50 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.51Å | 1.46Å | |
| C37 | H51 | sing | 1.09Å | 1.10Å | |
| C37 | H52 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | doub | 1.34Å | 1.38Å | Aromatic |
| C38 | C45 | sing | 1.46Å | 1.41Å | Aromatic |
| C39 | N10 | sing | 1.37Å | 1.37Å | Aromatic |
| C39 | H53 | sing | 1.08Å | 1.08Å | |
| N10 | C40 | sing | 1.38Å | 1.38Å | Aromatic |
| N10 | H54 | 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 | 1.36Å | Aromatic |
| C41 | H55 | sing | 1.08Å | 1.08Å | |
| C42 | C43 | doub | 1.39Å | 1.39Å | Aromatic |
| C42 | H56 | sing | 1.08Å | 1.08Å | |
| C43 | C44 | sing | 1.37Å | 1.38Å | Aromatic |
| C43 | H57 | sing | 1.08Å | 1.08Å | |
| C44 | C45 | doub | 1.40Å | 1.40Å | Aromatic |
| C44 | H58 | sing | 1.08Å | 1.08Å | |
| C46 | O11 | doub | 1.21Å | 1.25Å | |
| N11 | C47 | sing | 1.47Å | 1.45Å | |
| N11 | H59 | sing | 0.97Å | 1.00Å | |
| C47 | C48 | sing | 1.53Å | 1.54Å | |
| C47 | C49 | sing | 1.51Å | 1.54Å | |
| C47 | H60 | sing | 1.09Å | 1.10Å | |
| C48 | H61 | sing | 1.09Å | 1.10Å | |
| C48 | H62 | sing | 1.09Å | 1.10Å | |
| C48 | H63 | sing | 1.09Å | 1.10Å | |
| C49 | O12 | doub | 1.21Å | 1.24Å | |
| N12 | C50 | sing | 1.47Å | 1.44Å | |
| N12 | H64 | sing | 0.97Å | 1.00Å | |
| C50 | C51 | sing | 1.51Å | 1.52Å | |
| C50 | C52 | sing | 1.53Å | 1.54Å | |
| C50 | H65 | sing | 1.09Å | 1.10Å | |
| C51 | O13 | doub | 1.21Å | 1.24Å | |
| C52 | C53 | sing | 1.51Å | 1.50Å | |
| C52 | H66 | sing | 1.09Å | 1.10Å | |
| C52 | H67 | sing | 1.09Å | 1.10Å | |
| C53 | O14 | doub | 1.21Å | 1.24Å | |
| C53 | O15 | sing | 1.34Å | 1.25Å | |
| O15 | H68 | sing | 0.97Å | 0.95Å | |
| N13 | C54 | sing | 1.47Å | 1.45Å | |
| N13 | H69 | sing | 0.97Å | 1.00Å | |
| C54 | C55 | sing | 1.53Å | 1.52Å | |
| C54 | C56 | sing | 1.51Å | 1.51Å | |
| C54 | H70 | sing | 1.09Å | 1.10Å | |
| C55 | H71 | sing | 1.09Å | 1.10Å | |
| C55 | H72 | sing | 1.09Å | 1.10Å | |
| C55 | H73 | sing | 1.09Å | 1.10Å | |
| C56 | O16 | doub | 1.21Å | 1.24Å | |
| N14 | C57 | sing | 1.47Å | 1.47Å | |
| N14 | H74 | sing | 0.97Å | 1.00Å | |
| C57 | C58 | sing | 1.51Å | 1.53Å | |
| C57 | C59 | sing | 1.53Å | 1.55Å | |
| C57 | H75 | sing | 1.09Å | 1.10Å | |
| C58 | O17 | doub | 1.21Å | 1.24Å | |
| C59 | C60 | sing | 1.51Å | 1.50Å | |
| C59 | H76 | sing | 1.09Å | 1.10Å | |
| C59 | H77 | sing | 1.09Å | 1.10Å | |
| C60 | C61 | doub | 1.38Å | 1.38Å | Aromatic |
| C60 | C62 | sing | 1.38Å | 1.37Å | Aromatic |
| C61 | C63 | sing | 1.38Å | 1.39Å | Aromatic |
| C61 | H78 | sing | 1.08Å | 1.08Å | |
| C62 | C64 | doub | 1.38Å | 1.40Å | Aromatic |
| C62 | H79 | sing | 1.08Å | 1.08Å | |
| C63 | C65 | doub | 1.39Å | 1.38Å | Aromatic |
| C63 | H80 | sing | 1.08Å | 1.08Å | |
| C64 | C65 | sing | 1.39Å | 1.37Å | Aromatic |
| C64 | H81 | sing | 1.08Å | 1.08Å | |
| C65 | O18 | sing | 1.36Å | 1.38Å | |
| O18 | H82 | sing | 0.97Å | 0.95Å | |
| N15 | C66 | sing | 1.46Å | 1.45Å | |
| N15 | H83 | sing | 0.97Å | 1.00Å | |
| C66 | C67 | sing | 1.51Å | 1.52Å | |
| C66 | C68 | sing | 1.53Å | 1.51Å | |
| C66 | H84 | sing | 1.09Å | 1.10Å | |
| C67 | O19 | doub | 1.21Å | 1.23Å | |
| C68 | S3 | sing | 1.81Å | 1.80Å | |
| C68 | H85 | sing | 1.09Å | 1.10Å | |
| C68 | H86 | sing | 1.09Å | 1.10Å | |
| S3 | H87 | sing | 1.35Å | 1.30Å | |
| N16 | C69 | sing | 1.46Å | 1.46Å | |
| N16 | H88 | sing | 0.97Å | 1.00Å | |
| C69 | C70 | sing | 1.53Å | 1.52Å | |
| C69 | C74 | sing | 1.51Å | 1.52Å | |
| C69 | H89 | sing | 1.09Å | 1.10Å | |
| C70 | C71 | sing | 1.53Å | 1.49Å | |
| C70 | H90 | sing | 1.09Å | 1.10Å | |
| C70 | H91 | sing | 1.09Å | 1.10Å | |
| C71 | C72 | sing | 1.53Å | 1.55Å | |
| C71 | H92 | sing | 1.09Å | 1.10Å | |
| C71 | H93 | sing | 1.09Å | 1.10Å | |
| C72 | N17 | sing | 1.47Å | 1.47Å | |
| C72 | H94 | sing | 1.09Å | 1.10Å | |
| C72 | H95 | sing | 1.09Å | 1.10Å | |
| N17 | C73 | sing | 1.37Å | 1.32Å | |
| N17 | H96 | sing | 0.97Å | 1.00Å | |
| C73 | N18 | sing | 1.33Å | 1.34Å | |
| C73 | N19 | doub | 1.33Å | 1.33Å | |
| N18 | H97 | sing | 0.97Å | 1.00Å | |
| N18 | H98 | sing | 0.97Å | 1.00Å | |
| N19 | H99 | sing | 0.97Å | 1.00Å | |
| N19 | H100 | sing | 0.97Å | 1.00Å | |
| C74 | O20 | doub | 1.21Å | 1.24Å | |
| N20 | C75 | sing | 1.46Å | 1.49Å | |
| N20 | H101 | sing | 0.97Å | 1.00Å | |
| C75 | C76 | sing | 1.51Å | 1.50Å | |
| C75 | C77 | sing | 1.53Å | 1.57Å | |
| C75 | H102 | sing | 1.09Å | 1.10Å | |
| C76 | O21 | doub | 1.21Å | 1.24Å | |
| C77 | C78 | sing | 1.51Å | 1.50Å | |
| C77 | H103 | sing | 1.09Å | 1.10Å | |
| C77 | H104 | sing | 1.09Å | 1.10Å | |
| C78 | C79 | doub | 1.38Å | 1.39Å | Aromatic |
| C78 | C80 | sing | 1.38Å | 1.39Å | Aromatic |
| C79 | C81 | sing | 1.38Å | 1.39Å | Aromatic |
| C79 | H105 | sing | 1.08Å | 1.08Å | |
| C80 | C82 | doub | 1.38Å | 1.39Å | Aromatic |
| C80 | H106 | sing | 1.08Å | 1.08Å | |
| C81 | C83 | doub | 1.39Å | 1.37Å | Aromatic |
| C81 | H107 | sing | 1.08Å | 1.08Å | |
| C82 | C83 | sing | 1.39Å | 1.38Å | Aromatic |
| C82 | H108 | sing | 1.08Å | 1.08Å | |
| C83 | O22 | sing | 1.36Å | 1.39Å | |
| O22 | H109 | sing | 0.97Å | 0.95Å | |
| N21 | C84 | sing | 1.46Å | 1.48Å | |
| N21 | H110 | sing | 0.97Å | 1.00Å | |
| C84 | C85 | sing | 1.51Å | 1.52Å | |
| C84 | C86 | sing | 1.53Å | 1.54Å | |
| C84 | H111 | sing | 1.09Å | 1.10Å | |
| C85 | O23 | doub | 1.21Å | 1.23Å | |
| C86 | O24 | sing | 1.43Å | 1.43Å | |
| C86 | H112 | sing | 1.09Å | 1.10Å | |
| C86 | H113 | sing | 1.09Å | 1.10Å | |
| O24 | H114 | sing | 0.97Å | 0.95Å | |
| N22 | H115 | sing | 0.97Å | 1.00Å | |
| N22 | H116 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 0.00Å | |
| C7 | N2 | sing | 1.35Å | 21.46Å | |
| C9 | N5 | sing | 1.35Å | 1.33Å | |
| C15 | N6 | sing | 1.35Å | 1.33Å | |
| C20 | N7 | sing | 1.35Å | 1.33Å | |
| C25 | N8 | sing | 1.35Å | 1.34Å | |
| C28 | N9 | sing | 1.35Å | 1.32Å | |
| C46 | N11 | sing | 1.35Å | 1.34Å | |
| C49 | N12 | sing | 1.35Å | 1.33Å | |
| C51 | N13 | sing | 1.35Å | 1.32Å | |
| C56 | N14 | sing | 1.35Å | 1.32Å | |
| C58 | N15 | sing | 1.35Å | 1.32Å | |
| C67 | N16 | sing | 1.35Å | 1.32Å | |
| C74 | N20 | sing | 1.35Å | 1.33Å | |
| C76 | N21 | sing | 1.35Å | 1.33Å | |
| C85 | N22 | 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° | 109.4° |
| C2 | C1 | N1 | 90.0° | 120.0° |
| H1 | C2 | H2 | 90.0° | 109.5° |
| H1 | C2 | H3 | 90.0° | 109.4° |
| H2 | C2 | H3 | 90.0° | 109.5° |
| C3 | N1 | C6 | 90.0° | 108.7° |
| N1 | C3 | C4 | 90.0° | 107.3° |
| N1 | C3 | C7 | 90.0° | 109.9° |
| N1 | C3 | H4 | 90.0° | 109.9° |
| C3 | N1 | C1 | 90.0° | 125.7° |
| N1 | C6 | C5 | 90.0° | 104.7° |
| N1 | C6 | H9 | 90.0° | 110.4° |
| N1 | C6 | H10 | 90.0° | 110.4° |
| C6 | N1 | C1 | 90.0° | 125.6° |
| C4 | C3 | C7 | 90.0° | 109.9° |
| C4 | C3 | H4 | 90.0° | 109.9° |
| C3 | C4 | C5 | 90.0° | 103.0° |
| C3 | C4 | H5 | 90.0° | 110.8° |
| C3 | C4 | H6 | 90.0° | 110.7° |
| C7 | C3 | H4 | 90.0° | 110.0° |
| C3 | C7 | O2 | 90.0° | 120.0° |
| C3 | C7 | N2 | 90.0° | 120.0° |
| C5 | C4 | H5 | 90.0° | 110.7° |
| C5 | C4 | H6 | 90.0° | 110.7° |
| C4 | C5 | C6 | 90.0° | 101.5° |
| C4 | C5 | H7 | 90.0° | 111.0° |
| C4 | C5 | H8 | 90.0° | 111.0° |
| H5 | C4 | H6 | 90.0° | 110.8° |
| C6 | C5 | H7 | 90.0° | 111.2° |
| C6 | C5 | H8 | 90.0° | 110.9° |
| C5 | C6 | H9 | 90.0° | 110.5° |
| C5 | C6 | H10 | 90.0° | 110.3° |
| H7 | C5 | H8 | 90.0° | 111.0° |
| H9 | C6 | H10 | 90.0° | 110.4° |
| O2 | C7 | N2 | 90.0° | 120.0° |
| C8 | N2 | H11 | 150.2° | 120.0° |
| N2 | C8 | C9 | 109.0° | 109.5° |
| N2 | C8 | C10 | 114.4° | 109.5° |
| N2 | C8 | H12 | 108.2° | 109.5° |
| C8 | N2 | C7 | 59.6° | 120.0° |
| H11 | N2 | C7 | 150.2° | 120.0° |
| C9 | C8 | C10 | 109.7° | 109.5° |
| C9 | C8 | H12 | 107.9° | 109.4° |
| C8 | C9 | O3 | 120.4° | 120.0° |
| C8 | C9 | N5 | 115.9° | 120.0° |
| C10 | C8 | H12 | 107.4° | 109.4° |
| C8 | C10 | C11 | 113.8° | 109.5° |
| C8 | C10 | H13 | 108.4° | 109.5° |
| C8 | C10 | H14 | 108.4° | 109.4° |
| O3 | C9 | N5 | 123.8° | 119.9° |
| C11 | C10 | H13 | 108.4° | 109.5° |
| C11 | C10 | H14 | 108.4° | 109.5° |
| C10 | C11 | N3 | 122.8° | 126.0° |
| C10 | C11 | C12 | 131.0° | 126.0° |
| H13 | C10 | H14 | 109.5° | 109.4° |
| N3 | C11 | C12 | 106.2° | 108.1° |
| C11 | N3 | C13 | 109.4° | 109.3° |
| C11 | N3 | H15 | 125.3° | 125.4° |
| C11 | C12 | N4 | 107.1° | 106.8° |
| C11 | C12 | H16 | 126.4° | 126.6° |
| C13 | N3 | H15 | 125.3° | 125.3° |
| N3 | C13 | N4 | 108.3° | 108.7° |
| N3 | C13 | H17 | 125.8° | 125.7° |
| N4 | C12 | H16 | 126.5° | 126.6° |
| C12 | N4 | C13 | 109.1° | 107.2° |
| C12 | N4 | H18 | 125.4° | 126.4° |
| N4 | C13 | H17 | 125.9° | 125.7° |
| C13 | N4 | H18 | 125.5° | 126.4° |
| C14 | N5 | H19 | 119.0° | 119.9° |
| N5 | C14 | C15 | 118.5° | 109.5° |
| N5 | C14 | C16 | 112.5° | 109.5° |
| N5 | C14 | H20 | 105.4° | 109.4° |
| C14 | N5 | C9 | 121.8° | 120.1° |
| H19 | N5 | C9 | 119.1° | 120.0° |
| C15 | C14 | C16 | 109.6° | 109.5° |
| C15 | C14 | H20 | 104.7° | 109.5° |
| C14 | C15 | O4 | 113.9° | 120.0° |
| C14 | C15 | N6 | 120.4° | 120.0° |
| C16 | C14 | H20 | 104.8° | 109.4° |
| C14 | C16 | C17 | 111.3° | 109.5° |
| C14 | C16 | H21 | 109.0° | 109.4° |
| C14 | C16 | H22 | 109.0° | 109.4° |
| O4 | C15 | N6 | 125.7° | 120.0° |
| C17 | C16 | H21 | 109.0° | 109.5° |
| C17 | C16 | H22 | 109.0° | 109.5° |
| C16 | C17 | C18 | 113.3° | 109.4° |
| C16 | C17 | H23 | 108.5° | 109.5° |
| C16 | C17 | H24 | 108.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| C18 | C17 | H23 | 108.5° | 109.5° |
| C18 | C17 | H24 | 108.5° | 109.5° |
| C17 | C18 | O5 | 117.4° | 120.0° |
| C17 | C18 | O6 | 118.2° | 120.0° |
| H23 | C17 | H24 | 109.5° | 109.4° |
| O5 | C18 | O6 | 124.4° | 120.0° |
| C18 | O6 | H25 | 109.5° | 117.0° |
| C19 | N6 | H26 | 119.3° | 120.0° |
| N6 | C19 | C20 | 106.6° | 109.5° |
| N6 | C19 | C21 | 109.9° | 109.4° |
| N6 | C19 | H27 | 110.7° | 109.5° |
| C19 | N6 | C15 | 121.4° | 120.0° |
| H26 | N6 | C15 | 119.3° | 120.0° |
| C20 | C19 | C21 | 109.9° | 109.5° |
| C20 | C19 | H27 | 110.0° | 109.5° |
| C19 | C20 | O7 | 120.1° | 120.0° |
| C19 | C20 | N7 | 116.5° | 120.0° |
| C21 | C19 | H27 | 109.7° | 109.5° |
| C19 | C21 | C22 | 111.0° | 109.5° |
| C19 | C21 | H28 | 109.1° | 109.4° |
| C19 | C21 | H29 | 109.1° | 109.4° |
| O7 | C20 | N7 | 123.4° | 119.9° |
| C22 | C21 | H28 | 109.1° | 109.5° |
| C22 | C21 | H29 | 109.1° | 109.5° |
| C21 | C22 | S1 | 109.5° | 109.5° |
| C21 | C22 | H30 | 109.5° | 109.5° |
| C21 | C22 | H31 | 109.5° | 109.5° |
| H28 | C21 | H29 | 109.5° | 109.5° |
| S1 | C22 | H30 | 109.5° | 109.5° |
| S1 | C22 | H31 | 109.4° | 109.5° |
| C22 | S1 | C23 | 102.9° | 103.0° |
| H30 | C22 | H31 | 109.5° | 109.4° |
| S1 | C23 | H32 | 109.5° | 109.4° |
| S1 | C23 | H33 | 109.4° | 109.5° |
| S1 | C23 | H34 | 109.5° | 109.4° |
| H32 | C23 | H33 | 109.4° | 109.5° |
| H32 | C23 | H34 | 109.5° | 109.5° |
| H33 | C23 | H34 | 109.5° | 109.5° |
| C24 | N7 | H35 | 119.1° | 120.0° |
| N7 | C24 | C25 | 113.1° | 109.5° |
| N7 | C24 | C26 | 107.9° | 109.4° |
| N7 | C24 | H36 | 109.0° | 109.5° |
| C24 | N7 | C20 | 121.9° | 120.0° |
| H35 | N7 | C20 | 119.1° | 119.9° |
| C25 | C24 | C26 | 110.8° | 109.4° |
| C25 | C24 | H36 | 107.9° | 109.5° |
| C24 | C25 | O8 | 120.1° | 120.0° |
| C24 | C25 | N8 | 117.4° | 120.0° |
| C26 | C24 | H36 | 108.0° | 109.5° |
| C24 | C26 | S2 | 110.2° | 109.5° |
| C24 | C26 | H37 | 109.3° | 109.4° |
| C24 | C26 | H38 | 109.3° | 109.5° |
| O8 | C25 | N8 | 122.4° | 120.0° |
| S2 | C26 | H37 | 109.3° | 109.4° |
| S2 | C26 | H38 | 109.3° | 109.5° |
| C26 | S2 | H39 | 102.0° | 103.0° |
| H37 | C26 | H38 | 109.5° | 109.5° |
| C27 | N8 | H40 | 119.7° | 120.0° |
| N8 | C27 | C28 | 109.0° | 109.4° |
| N8 | C27 | C29 | 111.7° | 109.5° |
| N8 | C27 | H41 | 109.4° | 109.5° |
| C27 | N8 | C25 | 120.6° | 120.0° |
| H40 | N8 | C25 | 119.7° | 120.0° |
| C28 | C27 | C29 | 109.4° | 109.5° |
| C28 | C27 | H41 | 108.6° | 109.5° |
| C27 | C28 | O9 | 121.9° | 120.1° |
| C27 | C28 | N9 | 114.9° | 120.0° |
| C29 | C27 | H41 | 108.7° | 109.5° |
| C27 | C29 | C30 | 110.4° | 109.5° |
| C27 | C29 | H42 | 109.2° | 109.4° |
| C27 | C29 | H43 | 109.3° | 109.4° |
| O9 | C28 | N9 | 123.2° | 119.9° |
| C30 | C29 | H42 | 109.2° | 109.5° |
| C30 | C29 | H43 | 109.2° | 109.5° |
| C29 | C30 | C31 | 120.8° | 119.9° |
| C29 | C30 | C32 | 120.2° | 119.9° |
| H42 | C29 | H43 | 109.5° | 109.5° |
| C31 | C30 | C32 | 118.9° | 120.1° |
| C30 | C31 | C33 | 120.4° | 120.0° |
| C30 | C31 | H44 | 119.8° | 120.0° |
| C30 | C32 | C34 | 121.4° | 120.0° |
| C30 | C32 | H45 | 119.3° | 120.0° |
| C33 | C31 | H44 | 119.8° | 120.0° |
| C31 | C33 | C35 | 119.4° | 120.0° |
| C31 | C33 | H46 | 120.3° | 120.0° |
| C34 | C32 | H45 | 119.3° | 120.0° |
| C32 | C34 | C35 | 119.1° | 120.0° |
| C32 | C34 | H47 | 120.4° | 120.0° |
| C35 | C33 | H46 | 120.3° | 120.1° |
| C33 | C35 | C34 | 120.7° | 119.9° |
| C33 | C35 | O10 | 118.1° | 120.0° |
| C35 | C34 | H47 | 120.4° | 120.0° |
| C34 | C35 | O10 | 121.1° | 120.1° |
| C35 | O10 | H48 | 109.5° | 114.0° |
| C36 | N9 | H49 | 120.5° | 120.0° |
| N9 | C36 | C37 | 108.8° | 109.5° |
| N9 | C36 | C46 | 112.3° | 109.5° |
| N9 | C36 | H50 | 109.0° | 109.5° |
| C36 | N9 | C28 | 118.9° | 120.0° |
| H49 | N9 | C28 | 120.6° | 119.9° |
| C37 | C36 | C46 | 109.5° | 109.5° |
| C37 | C36 | H50 | 108.5° | 109.4° |
| C36 | C37 | C38 | 111.1° | 109.5° |
| C36 | C37 | H51 | 109.1° | 109.5° |
| C36 | C37 | H52 | 109.1° | 109.5° |
| C46 | C36 | H50 | 108.7° | 109.5° |
| C36 | C46 | O11 | 119.1° | 120.0° |
| C36 | C46 | N11 | 118.8° | 120.0° |
| C38 | C37 | H51 | 109.1° | 109.5° |
| C38 | C37 | H52 | 109.1° | 109.5° |
| C37 | C38 | C39 | 127.9° | 126.5° |
| C37 | C38 | C45 | 125.6° | 126.5° |
| H51 | C37 | H52 | 109.5° | 109.4° |
| C39 | C38 | C45 | 106.5° | 107.0° |
| C38 | C39 | N10 | 109.7° | 109.9° |
| C38 | C39 | H53 | 125.1° | 125.0° |
| C38 | C45 | C40 | 107.5° | 106.0° |
| C38 | C45 | C44 | 133.4° | 134.1° |
| N10 | C39 | H53 | 125.1° | 125.0° |
| C39 | N10 | C40 | 108.4° | 109.9° |
| C39 | N10 | H54 | 125.8° | 125.1° |
| C40 | N10 | H54 | 125.8° | 125.0° |
| N10 | C40 | C41 | 130.1° | 133.5° |
| N10 | C40 | C45 | 107.7° | 107.1° |
| C41 | C40 | C45 | 122.1° | 119.3° |
| C40 | C41 | C42 | 117.4° | 119.8° |
| C40 | C41 | H55 | 121.3° | 120.1° |
| C40 | C45 | C44 | 119.0° | 119.9° |
| C42 | C41 | H55 | 121.3° | 120.1° |
| C41 | C42 | C43 | 121.9° | 120.7° |
| C41 | C42 | H56 | 119.1° | 119.7° |
| C43 | C42 | H56 | 119.1° | 119.6° |
| C42 | C43 | C44 | 121.4° | 120.5° |
| C42 | C43 | H57 | 119.3° | 119.8° |
| C44 | C43 | H57 | 119.3° | 119.8° |
| C43 | C44 | C45 | 118.2° | 119.8° |
| C43 | C44 | H58 | 120.9° | 120.1° |
| C45 | C44 | H58 | 120.9° | 120.1° |
| O11 | C46 | N11 | 122.0° | 120.0° |
| C47 | N11 | H59 | 120.5° | 120.0° |
| N11 | C47 | C48 | 110.2° | 109.5° |
| N11 | C47 | C49 | 111.3° | 109.4° |
| N11 | C47 | H60 | 108.8° | 109.5° |
| C47 | N11 | C46 | 118.9° | 120.0° |
| H59 | N11 | C46 | 120.6° | 120.0° |
| C48 | C47 | C49 | 110.9° | 109.5° |
| C48 | C47 | H60 | 107.7° | 109.5° |
| C47 | C48 | H61 | 109.5° | 109.5° |
| C47 | C48 | H62 | 109.4° | 109.4° |
| C47 | C48 | H63 | 109.5° | 109.5° |
| C49 | C47 | H60 | 107.8° | 109.4° |
| C47 | C49 | O12 | 121.2° | 120.1° |
| C47 | C49 | N12 | 116.5° | 120.0° |
| H61 | C48 | H62 | 109.5° | 109.4° |
| H61 | C48 | H63 | 109.4° | 109.5° |
| H62 | C48 | H63 | 109.5° | 109.5° |
| O12 | C49 | N12 | 122.3° | 120.0° |
| C50 | N12 | H64 | 120.0° | 120.0° |
| N12 | C50 | C51 | 110.7° | 109.5° |
| N12 | C50 | C52 | 109.2° | 109.5° |
| N12 | C50 | H65 | 109.5° | 109.5° |
| C50 | N12 | C49 | 120.0° | 120.0° |
| H64 | N12 | C49 | 120.0° | 120.0° |
| C51 | C50 | C52 | 110.6° | 109.5° |
| C51 | C50 | H65 | 108.5° | 109.5° |
| C50 | C51 | O13 | 120.2° | 120.0° |
| C50 | C51 | N13 | 117.0° | 120.0° |
| C52 | C50 | H65 | 108.2° | 109.5° |
| C50 | C52 | C53 | 112.1° | 109.5° |
| C50 | C52 | H66 | 108.8° | 109.5° |
| C50 | C52 | H67 | 108.8° | 109.5° |
| O13 | C51 | N13 | 122.9° | 120.0° |
| C53 | C52 | H66 | 108.8° | 109.4° |
| C53 | C52 | H67 | 108.8° | 109.5° |
| C52 | C53 | O14 | 115.8° | 120.0° |
| C52 | C53 | O15 | 118.1° | 120.0° |
| H66 | C52 | H67 | 109.5° | 109.5° |
| O14 | C53 | O15 | 126.0° | 120.0° |
| C53 | O15 | H68 | 109.5° | 117.0° |
| C54 | N13 | H69 | 119.5° | 120.0° |
| N13 | C54 | C55 | 111.7° | 109.5° |
| N13 | C54 | C56 | 108.8° | 109.5° |
| N13 | C54 | H70 | 109.1° | 109.5° |
| C54 | N13 | C51 | 121.0° | 120.0° |
| H69 | N13 | C51 | 119.5° | 120.1° |
| C55 | C54 | C56 | 110.6° | 109.5° |
| C55 | C54 | H70 | 108.2° | 109.5° |
| C54 | C55 | H71 | 109.5° | 109.5° |
| C54 | C55 | H72 | 109.5° | 109.5° |
| C54 | C55 | H73 | 109.5° | 109.4° |
| C56 | C54 | H70 | 108.4° | 109.5° |
| C54 | C56 | O16 | 121.4° | 120.0° |
| C54 | C56 | N14 | 116.1° | 120.0° |
| H71 | C55 | H72 | 109.5° | 109.5° |
| H71 | C55 | H73 | 109.5° | 109.5° |
| H72 | C55 | H73 | 109.5° | 109.4° |
| O16 | C56 | N14 | 122.5° | 120.0° |
| C57 | N14 | H74 | 120.3° | 120.0° |
| N14 | C57 | C58 | 110.5° | 109.4° |
| N14 | C57 | C59 | 109.7° | 109.4° |
| N14 | C57 | H75 | 108.6° | 109.5° |
| C57 | N14 | C56 | 119.5° | 120.0° |
| H74 | N14 | C56 | 120.2° | 120.0° |
| C58 | C57 | C59 | 112.6° | 109.5° |
| C58 | C57 | H75 | 107.8° | 109.5° |
| C57 | C58 | O17 | 121.1° | 120.0° |
| C57 | C58 | N15 | 116.6° | 120.0° |
| C59 | C57 | H75 | 107.6° | 109.5° |
| C57 | C59 | C60 | 113.9° | 109.5° |
| C57 | C59 | H76 | 108.3° | 109.5° |
| C57 | C59 | H77 | 108.4° | 109.5° |
| O17 | C58 | N15 | 122.3° | 120.0° |
| C60 | C59 | H76 | 108.4° | 109.5° |
| C60 | C59 | H77 | 108.3° | 109.5° |
| C59 | C60 | C61 | 120.6° | 119.9° |
| C59 | C60 | C62 | 121.0° | 119.9° |
| H76 | C59 | H77 | 109.5° | 109.5° |
| C61 | C60 | C62 | 118.4° | 120.1° |
| C60 | C61 | C63 | 121.5° | 120.1° |
| C60 | C61 | H78 | 119.3° | 120.0° |
| C60 | C62 | C64 | 120.9° | 120.0° |
| C60 | C62 | H79 | 119.5° | 120.0° |
| C63 | C61 | H78 | 119.2° | 119.9° |
| C61 | C63 | C65 | 119.3° | 119.9° |
| C61 | C63 | H80 | 120.3° | 120.0° |
| C64 | C62 | H79 | 119.5° | 120.0° |
| C62 | C64 | C65 | 120.0° | 120.0° |
| C62 | C64 | H81 | 120.0° | 120.0° |
| C65 | C63 | H80 | 120.3° | 120.0° |
| C63 | C65 | C64 | 119.8° | 119.9° |
| C63 | C65 | O18 | 121.1° | 120.0° |
| C65 | C64 | H81 | 120.0° | 120.0° |
| C64 | C65 | O18 | 119.1° | 120.1° |
| C65 | O18 | H82 | 109.5° | 114.1° |
| C66 | N15 | H83 | 119.4° | 120.0° |
| N15 | C66 | C67 | 113.4° | 109.5° |
| N15 | C66 | C68 | 107.8° | 109.5° |
| N15 | C66 | H84 | 109.7° | 109.4° |
| C66 | N15 | C58 | 121.2° | 120.0° |
| H83 | N15 | C58 | 119.4° | 120.0° |
| C67 | C66 | C68 | 108.0° | 109.5° |
| C67 | C66 | H84 | 108.9° | 109.5° |
| C66 | C67 | O19 | 120.7° | 120.0° |
| C66 | C67 | N16 | 116.2° | 120.0° |
| C68 | C66 | H84 | 109.0° | 109.5° |
| C66 | C68 | S3 | 109.8° | 109.5° |
| C66 | C68 | H85 | 109.4° | 109.4° |
| C66 | C68 | H86 | 109.4° | 109.5° |
| O19 | C67 | N16 | 122.9° | 120.0° |
| S3 | C68 | H85 | 109.4° | 109.5° |
| S3 | C68 | H86 | 109.4° | 109.5° |
| C68 | S3 | H87 | 102.0° | 103.0° |
| H85 | C68 | H86 | 109.5° | 109.5° |
| C69 | N16 | H88 | 119.8° | 120.1° |
| N16 | C69 | C70 | 108.5° | 109.5° |
| N16 | C69 | C74 | 111.5° | 109.5° |
| N16 | C69 | H89 | 109.6° | 109.5° |
| C69 | N16 | C67 | 120.4° | 120.0° |
| H88 | N16 | C67 | 119.8° | 119.9° |
| C70 | C69 | C74 | 109.6° | 109.4° |
| C70 | C69 | H89 | 108.8° | 109.5° |
| C69 | C70 | C71 | 112.9° | 109.5° |
| C69 | C70 | H90 | 108.6° | 109.5° |
| C69 | C70 | H91 | 108.6° | 109.5° |
| C74 | C69 | H89 | 108.8° | 109.5° |
| C69 | C74 | O20 | 118.7° | 120.0° |
| C69 | C74 | N20 | 116.9° | 120.0° |
| C71 | C70 | H90 | 108.6° | 109.4° |
| C71 | C70 | H91 | 108.6° | 109.5° |
| C70 | C71 | C72 | 112.3° | 109.5° |
| C70 | C71 | H92 | 108.8° | 109.5° |
| C70 | C71 | H93 | 108.8° | 109.5° |
| H90 | C70 | H91 | 109.5° | 109.5° |
| C72 | C71 | H92 | 108.7° | 109.5° |
| C72 | C71 | H93 | 108.7° | 109.5° |
| C71 | C72 | N17 | 108.2° | 109.5° |
| C71 | C72 | H94 | 109.8° | 109.5° |
| C71 | C72 | H95 | 109.8° | 109.5° |
| H92 | C71 | H93 | 109.5° | 109.5° |
| N17 | C72 | H94 | 109.8° | 109.4° |
| N17 | C72 | H95 | 109.8° | 109.4° |
| C72 | N17 | C73 | 125.7° | 120.0° |
| C72 | N17 | H96 | 117.2° | 120.0° |
| H94 | C72 | H95 | 109.5° | 109.5° |
| C73 | N17 | H96 | 117.2° | 120.0° |
| N17 | C73 | N18 | 119.5° | 120.0° |
| N17 | C73 | N19 | 120.4° | 120.0° |
| N18 | C73 | N19 | 120.2° | 120.0° |
| C73 | N18 | H97 | 120.0° | 120.0° |
| C73 | N18 | H98 | 120.0° | 120.0° |
| C73 | N19 | H99 | 120.0° | 119.9° |
| C73 | N19 | H100 | 120.0° | 120.0° |
| H97 | N18 | H98 | 120.0° | 120.0° |
| H99 | N19 | H100 | 120.0° | 120.0° |
| O20 | C74 | N20 | 124.3° | 120.0° |
| C75 | N20 | H101 | 119.9° | 120.0° |
| N20 | C75 | C76 | 112.1° | 109.5° |
| N20 | C75 | C77 | 112.5° | 109.5° |
| N20 | C75 | H102 | 106.4° | 109.5° |
| C75 | N20 | C74 | 120.3° | 120.0° |
| H101 | N20 | C74 | 119.9° | 120.0° |
| C76 | C75 | C77 | 113.4° | 109.4° |
| C76 | C75 | H102 | 106.2° | 109.4° |
| C75 | C76 | O21 | 119.9° | 119.9° |
| C75 | C76 | N21 | 116.4° | 120.0° |
| C77 | C75 | H102 | 105.5° | 109.5° |
| C75 | C77 | C78 | 110.1° | 109.5° |
| C75 | C77 | H103 | 109.3° | 109.5° |
| C75 | C77 | H104 | 109.3° | 109.5° |
| O21 | C76 | N21 | 123.5° | 120.0° |
| C78 | C77 | H103 | 109.3° | 109.4° |
| C78 | C77 | H104 | 109.3° | 109.4° |
| C77 | C78 | C79 | 121.6° | 119.9° |
| C77 | C78 | C80 | 120.1° | 119.9° |
| H103 | C77 | H104 | 109.5° | 109.5° |
| C79 | C78 | C80 | 118.3° | 120.1° |
| C78 | C79 | C81 | 120.9° | 120.1° |
| C78 | C79 | H105 | 119.5° | 119.9° |
| C78 | C80 | C82 | 121.1° | 120.0° |
| C78 | C80 | H106 | 119.5° | 120.0° |
| C81 | C79 | H105 | 119.6° | 120.0° |
| C79 | C81 | C83 | 119.5° | 119.9° |
| C79 | C81 | H107 | 120.2° | 120.1° |
| C82 | C80 | H106 | 119.5° | 120.0° |
| C80 | C82 | C83 | 119.1° | 120.0° |
| C80 | C82 | H108 | 120.4° | 120.0° |
| C83 | C81 | H107 | 120.2° | 120.0° |
| C81 | C83 | C82 | 121.0° | 119.9° |
| C81 | C83 | O22 | 118.8° | 120.0° |
| C83 | C82 | H108 | 120.4° | 120.0° |
| C82 | C83 | O22 | 120.2° | 120.0° |
| C83 | O22 | H109 | 109.5° | 114.0° |
| C84 | N21 | H110 | 118.8° | 120.0° |
| N21 | C84 | C85 | 112.4° | 109.5° |
| N21 | C84 | C86 | 111.3° | 109.4° |
| N21 | C84 | H111 | 108.8° | 109.5° |
| C84 | N21 | C76 | 122.5° | 120.0° |
| H110 | N21 | C76 | 118.7° | 120.0° |
| C85 | C84 | C86 | 108.1° | 109.4° |
| C85 | C84 | H111 | 108.1° | 109.5° |
| C84 | C85 | O23 | 120.0° | 120.0° |
| C84 | C85 | N22 | 116.5° | 120.0° |
| C86 | C84 | H111 | 108.0° | 109.5° |
| C84 | C86 | O24 | 111.5° | 109.5° |
| C84 | C86 | H112 | 109.0° | 109.5° |
| C84 | C86 | H113 | 109.0° | 109.5° |
| O23 | C85 | N22 | 123.5° | 120.0° |
| O24 | C86 | H112 | 109.0° | 109.5° |
| O24 | C86 | H113 | 109.0° | 109.5° |
| C86 | O24 | H114 | 109.5° | 114.0° |
| H112 | C86 | H113 | 109.4° | 109.4° |
| H115 | N22 | H116 | 120.0° | 120.1° |
| H115 | N22 | C85 | 120.0° | 120.0° |
| H116 | N22 | C85 | 120.0° | 119.9° |
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° | 90.0° |
| O1 | C1 | C2 | H2 | 90.0° | 149.9° |
| O1 | C1 | C2 | H3 | 90.0° | 30.0° |
| O1 | C1 | N1 | C3 | 90.0° | 0.1° |
| O1 | C1 | N1 | C6 | 90.0° | 179.7° |
| C1 | C2 | H1 | H2 | 90.0° | 120.1° |
| C1 | C2 | H1 | H3 | 90.0° | 119.9° |
| 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° | 89.8° |
| H2 | C2 | C1 | N1 | 90.0° | 30.3° |
| H3 | C2 | C1 | N1 | 90.0° | 150.3° |
| C3 | N1 | C6 | C1 | 90.0° | 179.8° |
| N1 | C3 | C4 | C7 | 90.0° | 119.4° |
| N1 | C3 | C4 | H4 | 90.0° | 119.4° |
| N1 | C3 | C7 | H4 | 90.0° | 121.1° |
| N1 | C3 | C4 | C5 | 90.0° | 22.2° |
| N1 | C3 | C4 | H5 | 90.0° | 140.6° |
| N1 | C3 | C4 | H6 | 90.0° | 96.2° |
| C3 | N1 | C6 | C5 | 90.0° | 24.4° |
| C3 | N1 | C6 | H9 | 90.0° | 94.5° |
| C3 | N1 | C6 | H10 | 90.0° | 143.2° |
| N1 | C3 | C7 | O2 | 90.0° | 18.5° |
| N1 | C3 | C7 | N2 | 90.0° | 161.4° |
| C6 | N1 | C3 | C4 | 90.0° | 1.3° |
| C6 | N1 | C3 | C7 | 90.0° | 120.6° |
| C6 | N1 | C3 | H4 | 90.0° | 118.1° |
| N1 | C6 | C5 | C4 | 90.0° | 37.3° |
| N1 | C6 | C5 | H9 | 90.0° | 118.8° |
| N1 | C6 | C5 | H10 | 90.0° | 118.8° |
| N1 | C6 | C5 | H7 | 90.0° | 80.8° |
| N1 | C6 | C5 | H8 | 90.0° | 155.2° |
| N1 | C6 | H9 | H10 | 90.0° | 122.4° |
| C4 | C3 | C7 | H4 | 90.0° | 121.1° |
| C3 | C4 | C5 | H5 | 90.0° | 118.4° |
| C3 | C4 | C5 | H6 | 90.0° | 118.3° |
| C3 | C4 | H5 | H6 | 90.0° | 123.2° |
| C3 | C4 | C5 | C6 | 90.0° | 35.7° |
| C3 | C4 | C5 | H7 | 90.0° | 82.6° |
| C3 | C4 | C5 | H8 | 90.0° | 153.5° |
| C4 | C3 | C7 | O2 | 90.0° | 99.3° |
| C4 | C3 | N1 | C1 | 90.0° | 178.9° |
| C4 | C3 | C7 | N2 | 90.0° | 80.8° |
| C7 | C3 | C4 | C5 | 90.0° | 97.2° |
| C7 | C3 | C4 | H5 | 90.0° | 21.2° |
| C7 | C3 | C4 | H6 | 90.0° | 144.4° |
| C3 | C7 | O2 | N2 | 90.0° | 179.9° |
| C3 | C7 | N2 | C8 | 90.0° | 180.0° |
| C3 | C7 | N2 | H11 | 90.0° | 0.1° |
| C7 | C3 | N1 | C1 | 90.0° | 59.5° |
| H4 | C3 | C4 | C5 | 90.0° | 141.6° |
| H4 | C3 | C4 | H5 | 90.0° | 100.0° |
| H4 | C3 | C4 | H6 | 90.0° | 23.2° |
| H4 | C3 | C7 | O2 | 90.0° | 139.6° |
| H4 | C3 | N1 | C1 | 90.0° | 61.7° |
| H4 | C3 | C7 | N2 | 90.0° | 40.3° |
| C5 | C4 | H5 | H6 | 90.0° | 123.2° |
| C4 | C5 | C6 | H7 | 90.0° | 118.1° |
| C4 | C5 | C6 | H8 | 90.0° | 117.9° |
| C4 | C5 | H7 | H8 | 90.0° | 123.9° |
| C4 | C5 | C6 | H9 | 90.0° | 81.6° |
| C4 | C5 | C6 | H10 | 90.0° | 156.1° |
| H5 | C4 | C5 | C6 | 90.0° | 154.1° |
| H5 | C4 | C5 | H7 | 90.0° | 35.9° |
| H5 | C4 | C5 | H8 | 90.0° | 88.1° |
| H6 | C4 | C5 | C6 | 90.0° | 82.7° |
| H6 | C4 | C5 | H7 | 90.0° | 159.1° |
| H6 | C4 | C5 | H8 | 90.0° | 35.2° |
| C6 | C5 | H7 | H8 | 90.0° | 124.0° |
| C5 | C6 | H9 | H10 | 90.0° | 122.3° |
| C5 | C6 | N1 | C1 | 90.0° | 155.8° |
| H7 | C5 | C6 | H9 | 90.0° | 160.4° |
| H7 | C5 | C6 | H10 | 90.0° | 38.0° |
| H8 | C5 | C6 | H9 | 90.0° | 36.4° |
| H8 | C5 | C6 | H10 | 90.0° | 86.0° |
| H9 | C6 | N1 | C1 | 90.0° | 85.3° |
| H10 | C6 | N1 | C1 | 90.0° | 37.0° |
| O2 | C7 | N2 | C8 | 90.0° | 0.1° |
| O2 | C7 | N2 | H11 | 90.0° | 180.0° |
| C8 | N2 | H11 | C7 | 179.9° | 179.9° |
| N2 | C8 | C9 | C10 | 126.0° | 120.1° |
| N2 | C8 | C9 | H12 | 117.3° | 120.0° |
| N2 | C8 | C10 | H12 | 120.1° | 120.0° |
| N2 | C8 | C9 | O3 | 137.7° | 0.1° |
| N2 | C8 | C10 | C11 | 69.4° | 65.0° |
| N2 | C8 | C10 | H13 | 170.0° | 175.0° |
| N2 | C8 | C10 | H14 | 51.3° | 55.0° |
| N2 | C8 | C9 | N5 | 42.0° | 180.0° |
| H11 | N2 | C8 | C9 | 145.6° | 25.1° |
| H11 | N2 | C8 | C10 | 91.1° | 95.0° |
| H11 | N2 | C8 | H12 | 28.5° | 145.0° |
| C9 | C8 | C10 | H12 | 117.0° | 119.9° |
| C8 | C9 | O3 | N5 | 179.6° | 180.0° |
| C9 | C8 | C10 | C11 | 167.8° | 175.0° |
| C9 | C8 | C10 | H13 | 47.1° | 54.9° |
| C9 | C8 | C10 | H14 | 71.6° | 65.0° |
| C8 | C9 | N5 | C14 | 167.4° | 180.0° |
| C8 | C9 | N5 | H19 | 12.6° | 0.0° |
| C9 | C8 | N2 | C7 | 34.4° | 155.0° |
| C10 | C8 | C9 | O3 | 96.3° | 120.0° |
| C8 | C10 | C11 | H13 | 120.7° | 120.1° |
| C8 | C10 | C11 | H14 | 120.6° | 119.9° |
| C8 | C10 | H13 | H14 | 118.0° | 120.0° |
| C8 | C10 | C11 | N3 | 178.9° | 95.0° |
| C8 | C10 | C11 | C12 | 0.8° | 85.3° |
| C10 | C8 | N2 | C7 | 88.9° | 84.9° |
| C10 | C8 | C9 | N5 | 84.0° | 60.0° |
| H12 | C8 | C9 | O3 | 20.3° | 120.1° |
| H12 | C8 | C10 | C11 | 50.7° | 55.1° |
| H12 | C8 | C10 | H13 | 69.9° | 65.0° |
| H12 | C8 | C10 | H14 | 171.4° | 175.0° |
| H12 | C8 | N2 | C7 | 151.5° | 35.1° |
| H12 | C8 | C9 | N5 | 159.3° | 60.0° |
| O3 | C9 | N5 | C14 | 12.3° | 0.0° |
| O3 | C9 | N5 | H19 | 167.7° | 180.0° |
| C11 | C10 | H13 | H14 | 118.0° | 120.0° |
| C10 | C11 | N3 | C12 | 178.5° | 179.7° |
| C10 | C11 | N3 | C13 | 178.4° | 180.0° |
| C10 | C11 | N3 | H15 | 1.6° | 0.0° |
| C10 | C11 | C12 | N4 | 178.6° | 180.0° |
| C10 | C11 | C12 | H16 | 1.4° | 0.0° |
| H13 | C10 | C11 | N3 | 60.4° | 25.0° |
| H13 | C10 | C11 | C12 | 121.5° | 154.6° |
| H14 | C10 | C11 | N3 | 58.3° | 145.0° |
| H14 | C10 | C11 | C12 | 119.8° | 34.7° |
| C11 | N3 | C13 | H15 | 180.0° | 180.0° |
| N3 | C11 | C12 | N4 | 0.2° | 0.3° |
| N3 | C11 | C12 | H16 | 179.8° | 179.7° |
| C11 | N3 | C13 | N4 | 0.3° | 0.1° |
| C11 | N3 | C13 | H17 | 179.7° | 179.9° |
| C12 | C11 | N3 | C13 | 0.1° | 0.3° |
| C12 | C11 | N3 | H15 | 179.9° | 179.8° |
| C11 | C12 | N4 | H16 | 180.0° | 180.0° |
| C11 | C12 | N4 | C13 | 0.5° | 0.2° |
| C11 | C12 | N4 | H18 | 179.6° | 179.9° |
| N3 | C13 | N4 | C12 | 0.5° | 0.0° |
| N3 | C13 | N4 | H17 | 180.0° | 179.8° |
| N3 | C13 | N4 | H18 | 179.5° | 179.7° |
| H15 | N3 | C13 | N4 | 179.6° | 179.9° |
| H15 | N3 | C13 | H17 | 0.4° | 0.1° |
| C12 | N4 | C13 | H18 | 180.0° | 179.7° |
| C12 | N4 | C13 | H17 | 179.5° | 179.8° |
| H16 | C12 | N4 | C13 | 179.5° | 179.8° |
| H16 | C12 | N4 | H18 | 0.4° | 0.1° |
| H17 | C13 | N4 | H18 | 0.5° | 0.1° |
| C14 | N5 | H19 | C9 | 180.0° | 180.0° |
| N5 | C14 | C15 | C16 | 131.0° | 120.0° |
| N5 | C14 | C15 | H20 | 117.0° | 120.0° |
| N5 | C14 | C16 | H20 | 114.0° | 119.9° |
| N5 | C14 | C15 | O4 | 128.3° | 0.0° |
| N5 | C14 | C16 | C17 | 162.7° | 65.0° |
| N5 | C14 | C16 | H21 | 77.0° | 175.1° |
| N5 | C14 | C16 | H22 | 42.4° | 55.0° |
| N5 | C14 | C15 | N6 | 51.1° | 180.0° |
| H19 | N5 | C14 | C15 | 124.2° | 25.0° |
| H19 | N5 | C14 | C16 | 5.4° | 95.0° |
| H19 | N5 | C14 | H20 | 119.1° | 145.0° |
| C15 | C14 | C16 | H20 | 111.9° | 120.0° |
| C14 | C15 | O4 | N6 | 179.3° | 180.0° |
| C15 | C14 | C16 | C17 | 63.2° | 175.0° |
| C15 | C14 | C16 | H21 | 57.1° | 55.0° |
| C15 | C14 | C16 | H22 | 176.5° | 65.1° |
| C14 | C15 | N6 | C19 | 178.9° | 180.0° |
| C14 | C15 | N6 | H26 | 1.1° | 0.0° |
| C15 | C14 | N5 | C9 | 55.8° | 155.0° |
| C16 | C14 | C15 | O4 | 100.7° | 120.0° |
| C14 | C16 | C17 | H21 | 120.3° | 120.0° |
| C14 | C16 | C17 | H22 | 120.3° | 120.0° |
| C14 | C16 | H21 | H22 | 119.2° | 120.0° |
| C14 | C16 | C17 | C18 | 177.5° | 180.0° |
| C14 | C16 | C17 | H23 | 56.9° | 60.0° |
| C14 | C16 | C17 | H24 | 61.9° | 60.0° |
| C16 | C14 | N5 | C9 | 174.6° | 85.0° |
| C16 | C14 | C15 | N6 | 79.9° | 60.0° |
| H20 | C14 | C15 | O4 | 11.3° | 120.1° |
| H20 | C14 | C16 | C17 | 48.7° | 55.0° |
| H20 | C14 | C16 | H21 | 168.9° | 65.0° |
| H20 | C14 | C16 | H22 | 71.6° | 174.9° |
| H20 | C14 | N5 | C9 | 60.9° | 34.9° |
| H20 | C14 | C15 | N6 | 168.1° | 60.0° |
| O4 | C15 | N6 | C19 | 0.4° | 0.0° |
| O4 | C15 | N6 | H26 | 179.6° | 180.0° |
| C17 | C16 | H21 | H22 | 119.2° | 120.0° |
| C16 | C17 | C18 | H23 | 120.6° | 120.0° |
| C16 | C17 | C18 | H24 | 120.6° | 120.0° |
| C16 | C17 | H23 | H24 | 118.3° | 120.0° |
| C16 | C17 | C18 | O5 | 168.5° | 0.0° |
| C16 | C17 | C18 | O6 | 11.2° | 180.0° |
| H21 | C16 | C17 | C18 | 62.2° | 60.0° |
| H21 | C16 | C17 | H23 | 177.2° | 180.0° |
| H21 | C16 | C17 | H24 | 58.4° | 60.0° |
| H22 | C16 | C17 | C18 | 57.3° | 60.0° |
| H22 | C16 | C17 | H23 | 63.3° | 60.0° |
| H22 | C16 | C17 | H24 | 177.8° | 180.0° |
| C18 | C17 | H23 | H24 | 118.2° | 120.0° |
| C17 | C18 | O5 | O6 | 179.8° | 179.9° |
| C17 | C18 | O6 | H25 | 179.7° | 180.0° |
| H23 | C17 | C18 | O5 | 70.9° | 120.0° |
| H23 | C17 | C18 | O6 | 109.3° | 60.0° |
| H24 | C17 | C18 | O5 | 48.0° | 120.1° |
| H24 | C17 | C18 | O6 | 131.8° | 60.0° |
| O5 | C18 | O6 | H25 | 0.0° | 0.1° |
| C19 | N6 | H26 | C15 | 180.0° | 180.0° |
| N6 | C19 | C20 | C21 | 119.0° | 120.0° |
| N6 | C19 | C20 | H27 | 120.1° | 120.0° |
| N6 | C19 | C21 | H27 | 121.9° | 120.0° |
| N6 | C19 | C20 | O7 | 133.7° | 0.0° |
| N6 | C19 | C21 | C22 | 101.1° | 65.0° |
| N6 | C19 | C21 | H28 | 138.7° | 175.0° |
| N6 | C19 | C21 | H29 | 19.2° | 55.1° |
| N6 | C19 | C20 | N7 | 46.3° | 180.0° |
| H26 | N6 | C19 | C20 | 122.0° | 25.0° |
| H26 | N6 | C19 | C21 | 3.0° | 95.0° |
| H26 | N6 | C19 | H27 | 118.3° | 145.0° |
| C20 | C19 | C21 | H27 | 121.1° | 120.0° |
| C19 | C20 | O7 | N7 | 180.0° | 180.0° |
| C20 | C19 | C21 | C22 | 141.9° | 175.0° |
| C20 | C19 | C21 | H28 | 21.7° | 55.0° |
| C20 | C19 | C21 | H29 | 97.8° | 65.0° |
| C19 | C20 | N7 | C24 | 179.0° | 180.0° |
| C19 | C20 | N7 | H35 | 1.0° | 0.0° |
| C20 | C19 | N6 | C15 | 58.0° | 155.0° |
| C21 | C19 | C20 | O7 | 107.3° | 120.0° |
| C19 | C21 | C22 | H28 | 120.2° | 120.0° |
| C19 | C21 | C22 | H29 | 120.2° | 120.0° |
| C19 | C21 | H28 | H29 | 119.3° | 119.9° |
| C19 | C21 | C22 | S1 | 70.0° | 180.0° |
| C19 | C21 | C22 | H30 | 170.0° | 60.0° |
| C19 | C21 | C22 | H31 | 50.0° | 59.9° |
| C21 | C19 | N6 | C15 | 177.0° | 85.0° |
| C21 | C19 | C20 | N7 | 72.7° | 60.0° |
| H27 | C19 | C20 | O7 | 13.6° | 120.0° |
| H27 | C19 | C21 | C22 | 20.9° | 55.0° |
| H27 | C19 | C21 | H28 | 99.4° | 65.0° |
| H27 | C19 | C21 | H29 | 141.1° | 175.0° |
| H27 | C19 | N6 | C15 | 61.7° | 35.0° |
| H27 | C19 | C20 | N7 | 166.5° | 60.0° |
| O7 | C20 | N7 | C24 | 1.0° | 0.0° |
| O7 | C20 | N7 | H35 | 179.0° | 180.0° |
| C22 | C21 | H28 | H29 | 119.3° | 120.0° |
| C21 | C22 | S1 | H30 | 120.0° | 120.0° |
| C21 | C22 | S1 | H31 | 120.0° | 120.0° |
| C21 | C22 | H30 | H31 | 120.0° | 120.0° |
| C21 | C22 | S1 | C23 | 132.2° | 180.0° |
| H28 | C21 | C22 | S1 | 50.2° | 60.0° |
| H28 | C21 | C22 | H30 | 69.8° | 180.0° |
| H28 | C21 | C22 | H31 | 170.2° | 60.0° |
| H29 | C21 | C22 | S1 | 169.8° | 60.0° |
| H29 | C21 | C22 | H30 | 49.8° | 60.0° |
| H29 | C21 | C22 | H31 | 70.3° | 179.9° |
| S1 | C22 | H30 | H31 | 120.0° | 120.0° |
| C22 | S1 | C23 | H32 | 180.0° | 180.0° |
| C22 | S1 | C23 | H33 | 60.0° | 60.0° |
| C22 | S1 | C23 | H34 | 60.0° | 60.0° |
| H30 | C22 | S1 | C23 | 12.2° | 60.0° |
| H31 | C22 | S1 | C23 | 107.8° | 60.0° |
| S1 | C23 | H32 | H33 | 120.0° | 120.0° |
| S1 | C23 | H32 | H34 | 120.0° | 120.0° |
| S1 | C23 | H33 | H34 | 120.0° | 120.0° |
| H32 | C23 | H33 | H34 | 120.0° | 120.0° |
| C24 | N7 | H35 | C20 | 180.0° | 179.9° |
| N7 | C24 | C25 | C26 | 121.3° | 119.9° |
| N7 | C24 | C25 | H36 | 120.6° | 120.0° |
| N7 | C24 | C26 | H36 | 117.7° | 120.0° |
| N7 | C24 | C25 | O8 | 136.7° | 0.1° |
| N7 | C24 | C26 | S2 | 66.0° | 65.0° |
| N7 | C24 | C26 | H37 | 173.9° | 175.0° |
| N7 | C24 | C26 | H38 | 54.1° | 55.0° |
| N7 | C24 | C25 | N8 | 43.6° | 180.0° |
| H35 | N7 | C24 | C25 | 122.8° | 24.9° |
| H35 | N7 | C24 | C26 | 0.1° | 95.0° |
| H35 | N7 | C24 | H36 | 117.2° | 145.0° |
| C25 | C24 | C26 | H36 | 118.0° | 120.1° |
| C24 | C25 | O8 | N8 | 179.7° | 179.9° |
| C25 | C24 | C26 | S2 | 169.7° | 175.0° |
| C25 | C24 | C26 | H37 | 49.6° | 55.1° |
| C25 | C24 | C26 | H38 | 70.2° | 65.0° |
| C24 | C25 | N8 | C27 | 177.7° | 180.0° |
| C24 | C25 | N8 | H40 | 2.3° | 0.1° |
| C25 | C24 | N7 | C20 | 57.2° | 155.0° |
| C26 | C24 | C25 | O8 | 102.0° | 120.0° |
| C24 | C26 | S2 | H37 | 120.1° | 119.9° |
| C24 | C26 | S2 | H38 | 120.1° | 120.1° |
| C24 | C26 | H37 | H38 | 119.7° | 120.1° |
| C24 | C26 | S2 | H39 | 180.0° | 180.0° |
| C26 | C24 | N7 | C20 | 179.9° | 85.0° |
| C26 | C24 | C25 | N8 | 77.7° | 60.1° |
| H36 | C24 | C25 | O8 | 16.1° | 120.0° |
| H36 | C24 | C26 | S2 | 51.7° | 54.9° |
| H36 | C24 | C26 | H37 | 68.4° | 65.0° |
| H36 | C24 | C26 | H38 | 171.8° | 175.0° |
| H36 | C24 | N7 | C20 | 62.8° | 35.0° |
| H36 | C24 | C25 | N8 | 164.2° | 60.0° |
| O8 | C25 | N8 | C27 | 2.6° | 0.0° |
| O8 | C25 | N8 | H40 | 177.4° | 180.0° |
| S2 | C26 | H37 | H38 | 119.7° | 120.0° |
| H37 | C26 | S2 | H39 | 59.9° | 60.0° |
| H38 | C26 | S2 | H39 | 59.9° | 60.0° |
| C27 | N8 | H40 | C25 | 180.0° | 179.9° |
| N8 | C27 | C28 | C29 | 122.3° | 120.0° |
| N8 | C27 | C28 | H41 | 119.2° | 120.0° |
| N8 | C27 | C29 | H41 | 120.9° | 120.0° |
| N8 | C27 | C28 | O9 | 131.2° | 0.0° |
| N8 | C27 | C29 | C30 | 163.1° | 65.0° |
| N8 | C27 | C29 | H42 | 43.0° | 175.0° |
| N8 | C27 | C29 | H43 | 76.8° | 55.0° |
| N8 | C27 | C28 | N9 | 49.6° | 180.0° |
| H40 | N8 | C27 | C28 | 124.4° | 25.0° |
| H40 | N8 | C27 | C29 | 3.5° | 95.0° |
| H40 | N8 | C27 | H41 | 117.0° | 144.9° |
| C28 | C27 | C29 | H41 | 118.5° | 120.0° |
| C27 | C28 | O9 | N9 | 179.2° | 180.0° |
| C28 | C27 | C29 | C30 | 42.4° | 175.0° |
| C28 | C27 | C29 | H42 | 77.7° | 55.0° |
| C28 | C27 | C29 | H43 | 162.6° | 64.9° |
| C27 | C28 | N9 | C36 | 177.8° | 180.0° |
| C27 | C28 | N9 | H49 | 2.2° | 0.0° |
| C28 | C27 | N8 | C25 | 55.6° | 155.0° |
| C29 | C27 | C28 | O9 | 106.5° | 120.0° |
| C27 | C29 | C30 | H42 | 120.1° | 120.0° |
| C27 | C29 | C30 | H43 | 120.2° | 120.0° |
| C27 | C29 | H42 | H43 | 119.6° | 119.9° |
| C27 | C29 | C30 | C31 | 78.8° | 90.0° |
| C27 | C29 | C30 | C32 | 98.3° | 90.3° |
| C29 | C27 | N8 | C25 | 176.5° | 85.0° |
| C29 | C27 | C28 | N9 | 72.7° | 60.0° |
| H41 | C27 | C28 | O9 | 12.0° | 120.0° |
| H41 | C27 | C29 | C30 | 76.0° | 55.0° |
| H41 | C27 | C29 | H42 | 163.8° | 65.0° |
| H41 | C27 | C29 | H43 | 44.1° | 175.0° |
| H41 | C27 | N8 | C25 | 63.1° | 35.0° |
| H41 | C27 | C28 | N9 | 168.7° | 60.1° |
| O9 | C28 | N9 | C36 | 1.4° | 0.0° |
| O9 | C28 | N9 | H49 | 178.6° | 180.0° |
| C30 | C29 | H42 | H43 | 119.6° | 120.1° |
| C29 | C30 | C31 | C32 | 177.1° | 179.7° |
| C29 | C30 | C31 | C33 | 177.2° | 180.0° |
| C29 | C30 | C31 | H44 | 2.8° | 0.0° |
| C29 | C30 | C32 | C34 | 176.6° | 180.0° |
| C29 | C30 | C32 | H45 | 3.4° | 0.1° |
| H42 | C29 | C30 | C31 | 161.1° | 30.0° |
| H42 | C29 | C30 | C32 | 21.9° | 149.7° |
| H43 | C29 | C30 | C31 | 41.4° | 150.0° |
| H43 | C29 | C30 | C32 | 141.6° | 29.7° |
| C30 | C31 | C33 | H44 | 180.0° | 180.0° |
| C31 | C30 | C32 | C34 | 0.5° | 0.3° |
| C31 | C30 | C32 | H45 | 179.5° | 179.7° |
| C30 | C31 | C33 | C35 | 0.6° | 0.0° |
| C30 | C31 | C33 | H46 | 179.4° | 179.9° |
| C32 | C30 | C31 | C33 | 0.1° | 0.3° |
| C32 | C30 | C31 | H44 | 179.9° | 179.7° |
| C30 | C32 | C34 | H45 | 180.0° | 180.0° |
| C30 | C32 | C34 | C35 | 1.8° | 0.0° |
| C30 | C32 | C34 | H47 | 178.2° | 180.0° |
| C31 | C33 | C35 | H46 | 180.0° | 179.9° |
| C31 | C33 | C35 | C34 | 2.0° | 0.3° |
| C31 | C33 | C35 | O10 | 179.9° | 180.0° |
| H44 | C31 | C33 | C35 | 179.3° | 180.0° |
| H44 | C31 | C33 | H46 | 0.6° | 0.1° |
| C32 | C34 | C35 | C33 | 2.5° | 0.3° |
| C32 | C34 | C35 | H47 | 180.0° | 180.0° |
| C32 | C34 | C35 | O10 | 179.6° | 180.0° |
| H45 | C32 | C34 | C35 | 178.2° | 180.0° |
| H45 | C32 | C34 | H47 | 1.8° | 0.1° |
| C33 | C35 | C34 | O10 | 177.9° | 179.7° |
| C33 | C35 | C34 | H47 | 177.5° | 179.7° |
| C33 | C35 | O10 | H48 | 180.0° | 90.0° |
| H46 | C33 | C35 | C34 | 178.1° | 179.8° |
| H46 | C33 | C35 | O10 | 0.1° | 0.1° |
| C34 | C35 | O10 | H48 | 2.1° | 89.7° |
| H47 | C34 | C35 | O10 | 0.4° | 0.0° |
| C36 | N9 | H49 | C28 | 180.0° | 179.9° |
| N9 | C36 | C37 | C46 | 123.0° | 120.0° |
| N9 | C36 | C37 | H50 | 118.5° | 120.0° |
| N9 | C36 | C46 | H50 | 120.7° | 120.0° |
| N9 | C36 | C37 | C38 | 75.6° | 65.0° |
| N9 | C36 | C37 | H51 | 164.2° | 175.0° |
| N9 | C36 | C37 | H52 | 44.7° | 55.0° |
| N9 | C36 | C46 | O11 | 149.2° | 0.0° |
| N9 | C36 | C46 | N11 | 33.8° | 180.0° |
| H49 | N9 | C36 | C37 | 10.9° | 95.0° |
| H49 | N9 | C36 | C46 | 110.5° | 25.0° |
| H49 | N9 | C36 | H50 | 129.0° | 145.0° |
| C37 | C36 | C46 | H50 | 118.3° | 120.0° |
| C36 | C37 | C38 | H51 | 120.2° | 120.1° |
| C36 | C37 | C38 | H52 | 120.2° | 120.0° |
| C36 | C37 | H51 | H52 | 119.2° | 120.0° |
| C36 | C37 | C38 | C39 | 113.5° | 95.0° |
| C36 | C37 | C38 | C45 | 66.8° | 84.7° |
| C37 | C36 | C46 | O11 | 89.8° | 120.0° |
| C37 | C36 | N9 | C28 | 169.1° | 84.9° |
| C37 | C36 | C46 | N11 | 87.2° | 60.0° |
| C46 | C36 | C37 | C38 | 161.4° | 175.0° |
| C46 | C36 | C37 | H51 | 41.2° | 55.0° |
| C46 | C36 | C37 | H52 | 78.3° | 65.0° |
| C36 | C46 | O11 | N11 | 176.8° | 180.0° |
| C36 | C46 | N11 | C47 | 174.9° | 180.0° |
| C36 | C46 | N11 | H59 | 5.0° | 0.0° |
| C46 | C36 | N9 | C28 | 69.5° | 155.0° |
| H50 | C36 | C37 | C38 | 42.9° | 55.0° |
| H50 | C36 | C37 | H51 | 77.3° | 65.0° |
| H50 | C36 | C37 | H52 | 163.2° | 175.0° |
| H50 | C36 | C46 | O11 | 28.6° | 120.0° |
| H50 | C36 | N9 | C28 | 51.0° | 35.0° |
| H50 | C36 | C46 | N11 | 154.5° | 60.0° |
| C38 | C37 | H51 | H52 | 119.3° | 120.0° |
| C37 | C38 | C39 | C45 | 179.7° | 179.7° |
| C37 | C38 | C39 | N10 | 179.6° | 180.0° |
| C37 | C38 | C39 | H53 | 0.4° | 0.0° |
| C37 | C38 | C45 | C40 | 179.2° | 179.9° |
| C37 | C38 | C45 | C44 | 1.9° | 0.8° |
| H51 | C37 | C38 | C39 | 126.2° | 145.0° |
| H51 | C37 | C38 | C45 | 53.4° | 35.3° |
| H52 | C37 | C38 | C39 | 6.7° | 25.0° |
| H52 | C37 | C38 | C45 | 172.9° | 155.3° |
| C38 | C39 | N10 | H53 | 180.0° | 180.0° |
| C38 | C39 | N10 | C40 | 0.1° | 0.0° |
| C38 | C39 | N10 | H54 | 180.0° | 180.0° |
| C39 | C38 | C45 | C40 | 1.1° | 0.4° |
| C39 | C38 | C45 | C44 | 178.4° | 179.5° |
| C45 | C38 | C39 | N10 | 0.7° | 0.2° |
| C45 | C38 | C39 | H53 | 179.3° | 179.8° |
| C38 | C45 | C40 | N10 | 1.1° | 0.4° |
| C38 | C45 | C40 | C41 | 179.5° | 179.9° |
| C38 | C45 | C40 | C44 | 177.7° | 179.3° |
| C38 | C45 | C44 | C43 | 178.4° | 179.6° |
| C38 | C45 | C44 | H58 | 1.6° | 0.7° |
| C39 | N10 | C40 | H54 | 180.0° | 180.0° |
| C39 | N10 | C40 | C41 | 180.0° | 179.9° |
| C39 | N10 | C40 | C45 | 0.6° | 0.3° |
| H53 | C39 | N10 | C40 | 179.9° | 180.0° |
| H53 | C39 | N10 | H54 | 0.1° | 0.1° |
| N10 | C40 | C41 | C45 | 179.4° | 179.7° |
| N10 | C40 | C41 | C42 | 179.8° | 179.9° |
| N10 | C40 | C41 | H55 | 0.2° | 0.1° |
| N10 | C40 | C45 | C44 | 178.8° | 179.6° |
| H54 | N10 | C40 | C41 | 0.1° | 0.0° |
| H54 | N10 | C40 | C45 | 179.4° | 179.7° |
| C40 | C41 | C42 | H55 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 0.4° | 0.0° |
| C40 | C41 | C42 | H56 | 179.6° | 180.0° |
| C41 | C40 | C45 | C44 | 1.7° | 0.6° |
| C45 | C40 | C41 | C42 | 0.8° | 0.3° |
| C45 | C40 | C41 | H55 | 179.2° | 179.7° |
| C40 | C45 | C44 | C43 | 1.4° | 0.6° |
| C40 | C45 | C44 | H58 | 178.6° | 179.7° |
| C41 | C42 | C43 | H56 | 180.0° | 180.0° |
| C41 | C42 | C43 | C44 | 0.6° | 0.0° |
| C41 | C42 | C43 | H57 | 179.4° | 180.0° |
| H55 | C41 | C42 | C43 | 179.6° | 180.0° |
| H55 | C41 | C42 | H56 | 0.4° | 0.0° |
| C42 | C43 | C44 | H57 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 0.3° | 0.3° |
| C42 | C43 | C44 | H58 | 179.7° | 180.0° |
| H56 | C42 | C43 | C44 | 179.3° | 180.0° |
| H56 | C42 | C43 | H57 | 0.6° | 0.0° |
| C43 | C44 | C45 | H58 | 180.0° | 179.7° |
| H57 | C43 | C44 | C45 | 179.7° | 179.7° |
| H57 | C43 | C44 | H58 | 0.3° | 0.0° |
| O11 | C46 | N11 | C47 | 8.2° | 0.0° |
| O11 | C46 | N11 | H59 | 171.8° | 179.9° |
| C47 | N11 | H59 | C46 | 180.0° | 179.9° |
| N11 | C47 | C48 | C49 | 123.7° | 119.9° |
| N11 | C47 | C48 | H60 | 118.6° | 120.1° |
| N11 | C47 | C49 | H60 | 119.2° | 120.0° |
| N11 | C47 | C48 | H61 | 180.0° | 59.9° |
| N11 | C47 | C48 | H62 | 60.0° | 60.0° |
| N11 | C47 | C48 | H63 | 60.0° | 180.0° |
| N11 | C47 | C49 | O12 | 139.9° | 0.1° |
| N11 | C47 | C49 | N12 | 42.2° | 180.0° |
| H59 | N11 | C47 | C48 | 5.4° | 94.9° |
| H59 | N11 | C47 | C49 | 118.1° | 25.1° |
| H59 | N11 | C47 | H60 | 123.3° | 145.0° |
| C48 | C47 | C49 | H60 | 117.7° | 120.0° |
| C47 | C48 | H61 | H62 | 120.0° | 119.9° |
| C47 | C48 | H61 | H63 | 120.0° | 120.0° |
| C47 | C48 | H62 | H63 | 120.0° | 120.0° |
| C48 | C47 | C49 | O12 | 97.0° | 119.9° |
| C48 | C47 | N11 | C46 | 174.7° | 85.0° |
| C48 | C47 | C49 | N12 | 80.9° | 60.0° |
| C49 | C47 | C48 | H61 | 56.3° | 60.0° |
| C49 | C47 | C48 | H62 | 63.7° | 180.0° |
| C49 | C47 | C48 | H63 | 176.3° | 60.0° |
| C47 | C49 | O12 | N12 | 177.8° | 179.9° |
| C47 | C49 | N12 | C50 | 179.9° | 175.0° |
| C47 | C49 | N12 | H64 | 0.1° | 4.9° |
| C49 | C47 | N11 | C46 | 61.9° | 155.0° |
| H60 | C47 | C48 | H61 | 61.4° | 180.0° |
| H60 | C47 | C48 | H62 | 178.6° | 60.0° |
| H60 | C47 | C48 | H63 | 58.6° | 60.0° |
| H60 | C47 | C49 | O12 | 20.7° | 120.0° |
| H60 | C47 | N11 | C46 | 56.8° | 35.0° |
| H60 | C47 | C49 | N12 | 161.5° | 60.1° |
| H61 | C48 | H62 | H63 | 120.0° | 120.0° |
| O12 | C49 | N12 | C50 | 2.2° | 5.1° |
| O12 | C49 | N12 | H64 | 177.8° | 175.0° |
| C50 | N12 | H64 | C49 | 180.0° | 180.0° |
| N12 | C50 | C51 | C52 | 121.2° | 120.0° |
| N12 | C50 | C51 | H65 | 120.2° | 120.0° |
| N12 | C50 | C52 | H65 | 119.2° | 120.0° |
| N12 | C50 | C51 | O13 | 141.5° | 0.0° |
| N12 | C50 | C52 | C53 | 175.1° | 65.6° |
| N12 | C50 | C52 | H66 | 54.7° | 174.4° |
| N12 | C50 | C52 | H67 | 64.5° | 54.4° |
| N12 | C50 | C51 | N13 | 38.4° | 180.0° |
| H64 | N12 | C50 | C51 | 110.1° | 93.2° |
| H64 | N12 | C50 | C52 | 11.9° | 26.8° |
| H64 | N12 | C50 | H65 | 130.3° | 146.8° |
| C51 | C50 | C52 | H65 | 118.8° | 120.0° |
| C50 | C51 | O13 | N13 | 179.9° | 180.0° |
| C51 | C50 | C52 | C53 | 53.0° | 174.4° |
| C51 | C50 | C52 | H66 | 67.4° | 54.4° |
| C51 | C50 | C52 | H67 | 173.4° | 65.6° |
| C50 | C51 | N13 | C54 | 180.0° | 180.0° |
| C50 | C51 | N13 | H69 | 0.0° | 0.1° |
| C51 | C50 | N12 | C49 | 69.9° | 86.8° |
| C52 | C50 | C51 | O13 | 97.3° | 120.0° |
| C50 | C52 | C53 | H66 | 120.4° | 120.0° |
| C50 | C52 | C53 | H67 | 120.4° | 120.0° |
| C50 | C52 | H66 | H67 | 118.8° | 120.0° |
| C50 | C52 | C53 | O14 | 105.1° | 4.6° |
| C50 | C52 | C53 | O15 | 72.5° | 175.5° |
| C52 | C50 | N12 | C49 | 168.1° | 153.2° |
| C52 | C50 | C51 | N13 | 82.8° | 60.0° |
| H65 | C50 | C51 | O13 | 21.3° | 120.0° |
| H65 | C50 | C52 | C53 | 65.7° | 54.4° |
| H65 | C50 | C52 | H66 | 173.9° | 65.6° |
| H65 | C50 | C52 | H67 | 54.7° | 174.4° |
| H65 | C50 | N12 | C49 | 49.7° | 33.2° |
| H65 | C50 | C51 | N13 | 158.6° | 60.0° |
| O13 | C51 | N13 | C54 | 0.2° | 0.0° |
| O13 | C51 | N13 | H69 | 179.8° | 179.9° |
| C53 | C52 | H66 | H67 | 118.8° | 120.0° |
| C52 | C53 | O14 | O15 | 177.4° | 179.9° |
| C52 | C53 | O15 | H68 | 177.3° | 180.0° |
| H66 | C52 | C53 | O14 | 15.3° | 124.5° |
| H66 | C52 | C53 | O15 | 167.1° | 55.5° |
| H67 | C52 | C53 | O14 | 134.5° | 115.5° |
| H67 | C52 | C53 | O15 | 47.9° | 64.5° |
| O14 | C53 | O15 | H68 | 0.0° | 0.1° |
| C54 | N13 | H69 | C51 | 180.0° | 179.9° |
| N13 | C54 | C55 | C56 | 121.3° | 120.0° |
| N13 | C54 | C55 | H70 | 120.2° | 120.0° |
| N13 | C54 | C56 | H70 | 118.5° | 120.0° |
| N13 | C54 | C55 | H71 | 180.0° | 60.0° |
| N13 | C54 | C55 | H72 | 60.0° | 179.9° |
| N13 | C54 | C55 | H73 | 60.0° | 60.0° |
| N13 | C54 | C56 | O16 | 139.2° | 0.0° |
| N13 | C54 | C56 | N14 | 42.4° | 180.0° |
| H69 | N13 | C54 | C55 | 6.6° | 95.1° |
| H69 | N13 | C54 | C56 | 115.7° | 24.9° |
| H69 | N13 | C54 | H70 | 126.2° | 144.9° |
| C55 | C54 | C56 | H70 | 118.5° | 120.0° |
| C54 | C55 | H71 | H72 | 120.0° | 120.0° |
| C54 | C55 | H71 | H73 | 120.0° | 120.0° |
| C54 | C55 | H72 | H73 | 120.0° | 119.9° |
| C55 | C54 | C56 | O16 | 97.8° | 120.0° |
| C55 | C54 | N13 | C51 | 173.4° | 85.0° |
| C55 | C54 | C56 | N14 | 80.6° | 60.0° |
| C56 | C54 | C55 | H71 | 58.7° | 180.0° |
| C56 | C54 | C55 | H72 | 61.3° | 59.9° |
| C56 | C54 | C55 | H73 | 178.7° | 60.0° |
| C54 | C56 | O16 | N14 | 178.3° | 179.9° |
| C54 | C56 | N14 | C57 | 176.8° | 180.0° |
| C54 | C56 | N14 | H74 | 3.2° | 0.0° |
| C56 | C54 | N13 | C51 | 64.3° | 155.0° |
| H70 | C54 | C55 | H71 | 59.8° | 60.0° |
| H70 | C54 | C55 | H72 | 179.8° | 60.1° |
| H70 | C54 | C55 | H73 | 60.2° | 180.0° |
| H70 | C54 | C56 | O16 | 20.7° | 120.0° |
| H70 | C54 | N13 | C51 | 53.8° | 35.0° |
| H70 | C54 | C56 | N14 | 160.9° | 60.0° |
| H71 | C55 | H72 | H73 | 120.0° | 120.0° |
| O16 | C56 | N14 | C57 | 4.8° | 0.1° |
| O16 | C56 | N14 | H74 | 175.2° | 180.0° |
| C57 | N14 | H74 | C56 | 180.0° | 179.9° |
| N14 | C57 | C58 | C59 | 123.0° | 120.0° |
| N14 | C57 | C58 | H75 | 118.5° | 120.0° |
| N14 | C57 | C59 | H75 | 118.0° | 120.0° |
| N14 | C57 | C58 | O17 | 130.6° | 0.0° |
| N14 | C57 | C59 | C60 | 167.1° | 65.0° |
| N14 | C57 | C59 | H76 | 46.4° | 175.0° |
| N14 | C57 | C59 | H77 | 72.3° | 55.0° |
| N14 | C57 | C58 | N15 | 48.7° | 179.9° |
| H74 | N14 | C57 | C58 | 117.8° | 25.0° |
| H74 | N14 | C57 | C59 | 6.9° | 95.0° |
| H74 | N14 | C57 | H75 | 124.2° | 145.0° |
| C58 | C57 | C59 | H75 | 118.6° | 120.0° |
| C57 | C58 | O17 | N15 | 179.2° | 179.9° |
| C58 | C57 | C59 | C60 | 43.7° | 175.0° |
| C58 | C57 | C59 | H76 | 77.0° | 55.0° |
| C58 | C57 | C59 | H77 | 164.3° | 65.0° |
| C57 | C58 | N15 | C66 | 177.4° | 180.0° |
| C57 | C58 | N15 | H83 | 2.6° | 0.0° |
| C58 | C57 | N14 | C56 | 62.2° | 155.0° |
| C59 | C57 | C58 | O17 | 106.4° | 120.0° |
| C57 | C59 | C60 | H76 | 120.6° | 120.0° |
| C57 | C59 | C60 | H77 | 120.7° | 120.0° |
| C57 | C59 | H76 | H77 | 118.0° | 120.0° |
| C57 | C59 | C60 | C61 | 60.7° | 90.0° |
| C57 | C59 | C60 | C62 | 117.9° | 90.3° |
| C59 | C57 | N14 | C56 | 173.2° | 85.1° |
| C59 | C57 | C58 | N15 | 74.3° | 60.0° |
| H75 | C57 | C58 | O17 | 12.0° | 120.0° |
| H75 | C57 | C59 | C60 | 75.0° | 55.0° |
| H75 | C57 | C59 | H76 | 164.4° | 65.0° |
| H75 | C57 | C59 | H77 | 45.7° | 175.0° |
| H75 | C57 | N14 | C56 | 55.9° | 35.0° |
| H75 | C57 | C58 | N15 | 167.2° | 60.0° |
| O17 | C58 | N15 | C66 | 1.9° | 0.1° |
| O17 | C58 | N15 | H83 | 178.1° | 180.0° |
| C60 | C59 | H76 | H77 | 118.0° | 120.0° |
| C59 | C60 | C61 | C62 | 178.7° | 179.7° |
| C59 | C60 | C61 | C63 | 178.8° | 180.0° |
| C59 | C60 | C61 | H78 | 1.2° | 0.0° |
| C59 | C60 | C62 | C64 | 178.6° | 179.9° |
| C59 | C60 | C62 | H79 | 1.4° | 0.0° |
| H76 | C59 | C60 | C61 | 178.6° | 30.0° |
| H76 | C59 | C60 | C62 | 2.7° | 149.7° |
| H77 | C59 | C60 | C61 | 60.0° | 150.0° |
| H77 | C59 | C60 | C62 | 121.4° | 29.7° |
| C60 | C61 | C63 | H78 | 180.0° | 180.0° |
| C61 | C60 | C62 | C64 | 0.0° | 0.2° |
| C61 | C60 | C62 | H79 | 180.0° | 179.7° |
| C60 | C61 | C63 | C65 | 0.7° | 0.1° |
| C60 | C61 | C63 | H80 | 179.3° | 180.0° |
| C62 | C60 | C61 | C63 | 0.2° | 0.3° |
| C62 | C60 | C61 | H78 | 179.8° | 179.7° |
| C60 | C62 | C64 | H79 | 180.0° | 179.9° |
| C60 | C62 | C64 | C65 | 0.3° | 0.1° |
| C60 | C62 | C64 | H81 | 179.7° | 180.0° |
| C61 | C63 | C65 | H80 | 180.0° | 179.9° |
| C61 | C63 | C65 | C64 | 1.0° | 0.2° |
| C61 | C63 | C65 | O18 | 178.5° | 180.0° |
| H78 | C61 | C63 | C65 | 179.3° | 179.9° |
| H78 | C61 | C63 | H80 | 0.7° | 0.1° |
| C62 | C64 | C65 | C63 | 0.8° | 0.3° |
| C62 | C64 | C65 | H81 | 180.0° | 180.0° |
| C62 | C64 | C65 | O18 | 178.7° | 179.9° |
| H79 | C62 | C64 | C65 | 179.7° | 180.0° |
| H79 | C62 | C64 | H81 | 0.3° | 0.0° |
| C63 | C65 | C64 | O18 | 179.6° | 179.8° |
| C63 | C65 | C64 | H81 | 179.2° | 179.7° |
| C63 | C65 | O18 | H82 | 180.0° | 90.1° |
| H80 | C63 | C65 | C64 | 178.9° | 179.7° |
| H80 | C63 | C65 | O18 | 1.5° | 0.1° |
| C64 | C65 | O18 | H82 | 0.4° | 89.7° |
| H81 | C64 | C65 | O18 | 1.3° | 0.1° |
| C66 | N15 | H83 | C58 | 180.0° | 180.0° |
| N15 | C66 | C67 | C68 | 119.3° | 120.0° |
| N15 | C66 | C67 | H84 | 122.5° | 120.0° |
| N15 | C66 | C68 | H84 | 119.0° | 120.0° |
| N15 | C66 | C67 | O19 | 126.3° | 0.0° |
| N15 | C66 | C68 | S3 | 174.3° | 65.0° |
| N15 | C66 | C68 | H85 | 54.3° | 175.0° |
| N15 | C66 | C68 | H86 | 65.6° | 55.0° |
| N15 | C66 | C67 | N16 | 49.8° | 180.0° |
| H83 | N15 | C66 | C67 | 128.5° | 25.0° |
| H83 | N15 | C66 | C68 | 9.0° | 95.0° |
| H83 | N15 | C66 | H84 | 109.5° | 145.0° |
| C67 | C66 | C68 | H84 | 118.2° | 120.0° |
| C66 | C67 | O19 | N16 | 175.7° | 179.9° |
| C67 | C66 | C68 | S3 | 51.5° | 175.0° |
| C67 | C66 | C68 | H85 | 68.6° | 55.0° |
| C67 | C66 | C68 | H86 | 171.6° | 65.0° |
| C66 | C67 | N16 | C69 | 174.3° | 180.0° |
| C66 | C67 | N16 | H88 | 5.7° | 0.0° |
| C67 | C66 | N15 | C58 | 51.5° | 155.0° |
| C68 | C66 | C67 | O19 | 114.4° | 120.0° |
| C66 | C68 | S3 | H85 | 120.1° | 120.0° |
| C66 | C68 | S3 | H86 | 120.1° | 120.0° |
| C66 | C68 | H85 | H86 | 119.8° | 120.0° |
| C66 | C68 | S3 | H87 | 180.0° | 180.0° |
| C68 | C66 | N15 | C58 | 171.0° | 85.0° |
| C68 | C66 | C67 | N16 | 69.6° | 60.0° |
| H84 | C66 | C67 | O19 | 3.8° | 120.0° |
| H84 | C66 | C68 | S3 | 66.6° | 55.0° |
| H84 | C66 | C68 | H85 | 173.3° | 65.0° |
| H84 | C66 | C68 | H86 | 53.4° | 175.0° |
| H84 | C66 | N15 | C58 | 70.5° | 35.0° |
| H84 | C66 | C67 | N16 | 172.2° | 60.1° |
| O19 | C67 | N16 | C69 | 9.7° | 0.0° |
| O19 | C67 | N16 | H88 | 170.2° | 180.0° |
| S3 | C68 | H85 | H86 | 119.8° | 120.1° |
| H85 | C68 | S3 | H87 | 59.9° | 60.1° |
| H86 | C68 | S3 | H87 | 59.9° | 60.0° |
| C69 | N16 | H88 | C67 | 180.0° | 180.0° |
| N16 | C69 | C70 | C74 | 121.9° | 119.9° |
| N16 | C69 | C70 | H89 | 119.2° | 120.1° |
| N16 | C69 | C74 | H89 | 121.0° | 120.1° |
| N16 | C69 | C70 | C71 | 67.8° | 65.1° |
| N16 | C69 | C70 | H90 | 171.7° | 175.0° |
| N16 | C69 | C70 | H91 | 52.7° | 55.0° |
| N16 | C69 | C74 | O20 | 130.5° | 0.1° |
| N16 | C69 | C74 | N20 | 51.4° | 180.0° |
| H88 | N16 | C69 | C70 | 18.5° | 95.0° |
| H88 | N16 | C69 | C74 | 102.3° | 25.0° |
| H88 | N16 | C69 | H89 | 137.2° | 145.0° |
| C70 | C69 | C74 | H89 | 118.9° | 120.0° |
| C69 | C70 | C71 | H90 | 120.5° | 120.0° |
| C69 | C70 | C71 | H91 | 120.5° | 120.1° |
| C69 | C70 | H90 | H91 | 118.5° | 120.1° |
| C69 | C70 | C71 | C72 | 175.3° | 180.0° |
| C69 | C70 | C71 | H92 | 54.9° | 60.0° |
| C69 | C70 | C71 | H93 | 64.3° | 60.0° |
| C70 | C69 | C74 | O20 | 109.3° | 120.0° |
| C70 | C69 | N16 | C67 | 161.5° | 85.0° |
| C70 | C69 | C74 | N20 | 68.7° | 60.1° |
| C74 | C69 | C70 | C71 | 170.3° | 175.0° |
| C74 | C69 | C70 | H90 | 49.8° | 55.1° |
| C74 | C69 | C70 | H91 | 69.2° | 65.0° |
| C69 | C74 | O20 | N20 | 177.9° | 179.9° |
| C69 | C74 | N20 | C75 | 162.8° | 180.0° |
| C69 | C74 | N20 | H101 | 17.2° | 0.0° |
| C74 | C69 | N16 | C67 | 77.7° | 155.1° |
| H89 | C69 | C70 | C71 | 51.4° | 55.0° |
| H89 | C69 | C70 | H90 | 69.1° | 64.9° |
| H89 | C69 | C70 | H91 | 171.9° | 175.0° |
| H89 | C69 | C74 | O20 | 9.5° | 120.0° |
| H89 | C69 | N16 | C67 | 42.9° | 35.0° |
| H89 | C69 | C74 | N20 | 172.4° | 59.9° |
| C71 | C70 | H90 | H91 | 118.4° | 120.0° |
| C70 | C71 | C72 | H92 | 120.4° | 120.0° |
| C70 | C71 | C72 | H93 | 120.4° | 120.0° |
| C70 | C71 | H92 | H93 | 118.7° | 120.0° |
| C70 | C71 | C72 | N17 | 177.8° | 180.0° |
| C70 | C71 | C72 | H94 | 62.4° | 60.1° |
| C70 | C71 | C72 | H95 | 58.0° | 60.0° |
| H90 | C70 | C71 | C72 | 64.2° | 60.0° |
| H90 | C70 | C71 | H92 | 175.4° | 180.0° |
| H90 | C70 | C71 | H93 | 56.2° | 60.0° |
| H91 | C70 | C71 | C72 | 54.8° | 59.9° |
| H91 | C70 | C71 | H92 | 65.7° | 60.0° |
| H91 | C70 | C71 | H93 | 175.2° | 180.0° |
| C72 | C71 | H92 | H93 | 118.7° | 120.0° |
| C71 | C72 | N17 | H94 | 119.8° | 120.0° |
| C71 | C72 | N17 | H95 | 119.8° | 120.0° |
| C71 | C72 | H94 | H95 | 120.6° | 120.1° |
| C71 | C72 | N17 | C73 | 88.4° | 180.0° |
| C71 | C72 | N17 | H96 | 91.6° | 0.1° |
| H92 | C71 | C72 | N17 | 57.4° | 60.0° |
| H92 | C71 | C72 | H94 | 177.2° | 179.9° |
| H92 | C71 | C72 | H95 | 62.4° | 60.0° |
| H93 | C71 | C72 | N17 | 61.8° | 60.0° |
| H93 | C71 | C72 | H94 | 58.0° | 59.9° |
| H93 | C71 | C72 | H95 | 178.4° | 180.0° |
| N17 | C72 | H94 | H95 | 120.6° | 120.0° |
| C72 | N17 | C73 | H96 | 180.0° | 179.9° |
| C72 | N17 | C73 | N18 | 176.4° | 0.0° |
| C72 | N17 | C73 | N19 | 3.2° | 180.0° |
| H94 | C72 | N17 | C73 | 31.4° | 60.0° |
| H94 | C72 | N17 | H96 | 148.6° | 119.9° |
| H95 | C72 | N17 | C73 | 151.8° | 60.0° |
| H95 | C72 | N17 | H96 | 28.2° | 120.1° |
| N17 | C73 | N18 | N19 | 179.6° | 180.0° |
| N17 | C73 | N18 | H97 | 179.6° | 0.0° |
| N17 | C73 | N18 | H98 | 0.4° | 180.0° |
| N17 | C73 | N19 | H99 | 179.6° | 0.0° |
| N17 | C73 | N19 | H100 | 0.4° | 180.0° |
| H96 | N17 | C73 | N18 | 3.6° | 179.9° |
| H96 | N17 | C73 | N19 | 176.8° | 0.1° |
| C73 | N18 | H97 | H98 | 180.0° | 180.0° |
| N18 | C73 | N19 | H99 | 0.0° | 180.0° |
| N18 | C73 | N19 | H100 | 180.0° | 0.0° |
| N19 | C73 | N18 | H97 | 0.0° | 180.0° |
| N19 | C73 | N18 | H98 | 180.0° | 0.0° |
| C73 | N19 | H99 | H100 | 180.0° | 180.0° |
| O20 | C74 | N20 | C75 | 15.1° | 0.1° |
| O20 | C74 | N20 | H101 | 164.9° | 180.0° |
| C75 | N20 | H101 | C74 | 180.0° | 180.0° |
| N20 | C75 | C76 | C77 | 128.8° | 120.1° |
| N20 | C75 | C76 | H102 | 115.8° | 120.0° |
| N20 | C75 | C77 | H102 | 115.6° | 120.0° |
| N20 | C75 | C76 | O21 | 178.6° | 0.0° |
| N20 | C75 | C77 | C78 | 46.4° | 65.0° |
| N20 | C75 | C77 | H103 | 166.6° | 175.1° |
| N20 | C75 | C77 | H104 | 73.7° | 55.0° |
| N20 | C75 | C76 | N21 | 3.5° | 180.0° |
| H101 | N20 | C75 | C76 | 90.0° | 95.0° |
| H101 | N20 | C75 | C77 | 39.2° | 25.0° |
| H101 | N20 | C75 | H102 | 154.3° | 145.0° |
| C76 | C75 | C77 | H102 | 115.8° | 119.9° |
| C75 | C76 | O21 | N21 | 174.8° | 180.0° |
| C76 | C75 | C77 | C78 | 175.0° | 175.0° |
| C76 | C75 | C77 | H103 | 64.9° | 55.0° |
| C76 | C75 | C77 | H104 | 54.9° | 65.1° |
| C75 | C76 | N21 | C84 | 170.5° | 180.0° |
| C75 | C76 | N21 | H110 | 9.5° | 0.0° |
| C76 | C75 | N20 | C74 | 89.9° | 84.9° |
| C77 | C75 | C76 | O21 | 52.6° | 120.0° |
| C75 | C77 | C78 | H103 | 120.1° | 120.0° |
| C75 | C77 | C78 | H104 | 120.1° | 120.0° |
| C75 | C77 | H103 | H104 | 119.7° | 120.1° |
| C75 | C77 | C78 | C79 | 123.4° | 90.0° |
| C75 | C77 | C78 | C80 | 54.7° | 90.3° |
| C77 | C75 | N20 | C74 | 140.8° | 155.0° |
| C77 | C75 | C76 | N21 | 132.2° | 60.0° |
| H102 | C75 | C76 | O21 | 62.8° | 120.0° |
| H102 | C75 | C77 | C78 | 69.1° | 55.0° |
| H102 | C75 | C77 | H103 | 51.0° | 64.9° |
| H102 | C75 | C77 | H104 | 170.7° | 175.0° |
| H102 | C75 | N20 | C74 | 25.7° | 35.0° |
| H102 | C75 | C76 | N21 | 112.3° | 60.0° |
| O21 | C76 | N21 | C84 | 4.5° | 0.0° |
| O21 | C76 | N21 | H110 | 175.5° | 180.0° |
| C78 | C77 | H103 | H104 | 119.7° | 119.9° |
| C77 | C78 | C79 | C80 | 178.1° | 179.8° |
| C77 | C78 | C79 | C81 | 175.7° | 180.0° |
| C77 | C78 | C79 | H105 | 4.3° | 0.0° |
| C77 | C78 | C80 | C82 | 177.1° | 180.0° |
| C77 | C78 | C80 | H106 | 2.9° | 0.0° |
| H103 | C77 | C78 | C79 | 116.6° | 30.0° |
| H103 | C77 | C78 | C80 | 65.4° | 149.7° |
| H104 | C77 | C78 | C79 | 3.3° | 150.0° |
| H104 | C77 | C78 | C80 | 174.8° | 29.7° |
| C78 | C79 | C81 | H105 | 180.0° | 179.9° |
| C79 | C78 | C80 | C82 | 1.0° | 0.2° |
| C79 | C78 | C80 | H106 | 179.0° | 179.8° |
| C78 | C79 | C81 | C83 | 1.9° | 0.1° |
| C78 | C79 | C81 | H107 | 178.1° | 180.0° |
| C80 | C78 | C79 | C81 | 2.4° | 0.2° |
| C80 | C78 | C79 | H105 | 177.6° | 179.7° |
| C78 | C80 | C82 | H106 | 180.0° | 180.0° |
| C78 | C80 | C82 | C83 | 0.8° | 0.1° |
| C78 | C80 | C82 | H108 | 179.3° | 180.0° |
| C79 | C81 | C83 | H107 | 180.0° | 179.9° |
| C79 | C81 | C83 | C82 | 0.0° | 0.4° |
| C79 | C81 | C83 | O22 | 179.4° | 180.0° |
| H105 | C79 | C81 | C83 | 178.1° | 180.0° |
| H105 | C79 | C81 | H107 | 1.9° | 0.1° |
| C80 | C82 | C83 | C81 | 1.3° | 0.4° |
| C80 | C82 | C83 | H108 | 180.0° | 180.0° |
| C80 | C82 | C83 | O22 | 179.3° | 180.0° |
| H106 | C80 | C82 | C83 | 179.2° | 180.0° |
| H106 | C80 | C82 | H108 | 0.7° | 0.0° |
| C81 | C83 | C82 | O22 | 179.4° | 179.7° |
| C81 | C83 | C82 | H108 | 178.7° | 179.7° |
| C81 | C83 | O22 | H109 | 180.0° | 90.0° |
| H107 | C81 | C83 | C82 | 180.0° | 179.7° |
| H107 | C81 | C83 | O22 | 0.6° | 0.1° |
| C82 | C83 | O22 | H109 | 0.6° | 89.7° |
| H108 | C82 | C83 | O22 | 0.7° | 0.0° |
| C84 | N21 | H110 | C76 | 180.0° | 180.0° |
| N21 | C84 | C85 | C86 | 123.2° | 120.0° |
| N21 | C84 | C85 | H111 | 120.1° | 120.1° |
| N21 | C84 | C86 | H111 | 119.3° | 120.0° |
| N21 | C84 | C85 | O23 | 167.2° | 0.1° |
| N21 | C84 | C86 | O24 | 59.1° | 65.0° |
| N21 | C84 | C86 | H112 | 61.2° | 55.0° |
| N21 | C84 | C86 | H113 | 179.4° | 175.0° |
| N21 | C84 | C85 | N22 | 12.0° | 180.0° |
| H110 | N21 | C84 | C85 | 99.7° | 25.0° |
| H110 | N21 | C84 | C86 | 21.7° | 95.0° |
| H110 | N21 | C84 | H111 | 140.6° | 145.0° |
| C85 | C84 | C86 | H111 | 116.8° | 120.0° |
| C84 | C85 | O23 | N22 | 179.2° | 180.0° |
| C85 | C84 | C86 | O24 | 64.8° | 55.0° |
| C85 | C84 | C86 | H112 | 174.9° | 175.0° |
| C85 | C84 | C86 | H113 | 55.6° | 65.0° |
| C84 | C85 | N22 | H115 | 179.2° | 0.0° |
| C84 | C85 | N22 | H116 | 0.8° | 180.0° |
| C85 | C84 | N21 | C76 | 80.3° | 155.0° |
| C86 | C84 | C85 | O23 | 69.6° | 120.0° |
| C84 | C86 | O24 | H112 | 120.3° | 120.0° |
| C84 | C86 | O24 | H113 | 120.3° | 120.0° |
| C84 | C86 | H112 | H113 | 119.0° | 120.0° |
| C84 | C86 | O24 | H114 | 93.4° | 180.0° |
| C86 | C84 | N21 | C76 | 158.3° | 85.0° |
| C86 | C84 | C85 | N22 | 111.2° | 60.0° |
| H111 | C84 | C85 | O23 | 47.1° | 120.0° |
| H111 | C84 | C86 | O24 | 178.5° | 175.0° |
| H111 | C84 | C86 | H112 | 58.1° | 65.0° |
| H111 | C84 | C86 | H113 | 61.2° | 55.0° |
| H111 | C84 | N21 | C76 | 39.4° | 35.0° |
| H111 | C84 | C85 | N22 | 132.1° | 60.0° |
| O23 | C85 | N22 | H115 | 0.0° | 180.0° |
| O23 | C85 | N22 | H116 | 180.0° | 0.0° |
| O24 | C86 | H112 | H113 | 119.1° | 120.0° |
| H112 | C86 | O24 | H114 | 26.9° | 60.0° |
| H113 | C86 | O24 | H114 | 146.3° | 60.0° |
| H115 | N22 | H116 | C85 | 179.9° | 180.0° |
