PRD_000280
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 0.00Å | |
| N1 | H1 | sing | 1.01Å | 0.00Å | |
| N1 | H2 | sing | 1.01Å | 0.00Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C1 | C3 | sing | 1.53Å | 0.00Å | |
| C1 | H3 | sing | 1.09Å | 0.00Å | |
| C2 | O1 | doub | 1.21Å | 0.00Å | |
| C3 | C4 | sing | 1.53Å | 0.00Å | |
| C3 | H4 | sing | 1.09Å | 0.00Å | |
| C3 | H5 | sing | 1.09Å | 0.00Å | |
| C4 | C5 | sing | 1.53Å | 0.00Å | |
| C4 | H6 | sing | 1.09Å | 0.00Å | |
| C4 | H7 | sing | 1.09Å | 0.00Å | |
| C5 | C6 | sing | 1.53Å | 0.00Å | |
| C5 | H8 | sing | 1.09Å | 0.00Å | |
| C5 | H9 | sing | 1.09Å | 0.00Å | |
| C6 | N2 | sing | 1.47Å | 0.00Å | |
| C6 | H10 | sing | 1.09Å | 0.00Å | |
| C6 | H11 | sing | 1.09Å | 0.00Å | |
| N2 | H12 | sing | 1.01Å | 0.00Å | |
| N2 | H13 | sing | 1.01Å | 0.00Å | |
| N3 | C7 | sing | 1.46Å | 1.50Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | C9 | sing | 1.53Å | 1.54Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | O2 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | N4 | sing | 1.47Å | 1.50Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| N4 | H24 | sing | 1.01Å | 1.00Å | |
| N4 | H25 | sing | 1.01Å | 1.00Å | |
| N5 | C13 | sing | 1.47Å | 1.46Å | |
| N5 | H26 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C13 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | O3 | doub | 1.21Å | 1.23Å | |
| N6 | C15 | sing | 1.46Å | 1.47Å | |
| N6 | H29 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C17 | sing | 1.51Å | 1.52Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C17 | O4 | doub | 1.21Å | 1.24Å | |
| N7 | C18 | sing | 1.46Å | 1.46Å | |
| N7 | H34 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | O5 | doub | 1.21Å | 1.23Å | |
| C20 | S1 | sing | 1.81Å | 1.83Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| N8 | C21 | sing | 1.48Å | 1.46Å | |
| N8 | H38 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C22 | O6 | doub | 1.21Å | 1.23Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C24 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C25 | O7 | doub | 1.21Å | 1.26Å | |
| C25 | O8 | sing | 1.34Å | 1.25Å | |
| O8 | H44 | sing | 0.97Å | 0.95Å | |
| N9 | C26 | sing | 1.48Å | 1.46Å | |
| N9 | H45 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C26 | H46 | sing | 1.09Å | 1.10Å | |
| C27 | O9 | doub | 1.21Å | 1.23Å | |
| C28 | O10 | sing | 1.43Å | 1.42Å | |
| C28 | H47 | sing | 1.09Å | 1.10Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| O10 | H49 | sing | 0.97Å | 0.95Å | |
| N10 | C29 | sing | 1.47Å | 1.48Å | |
| N10 | C32 | sing | 1.47Å | 1.48Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | C33 | sing | 1.51Å | 1.54Å | |
| C29 | H50 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.54Å | 1.51Å | |
| C30 | H51 | sing | 1.09Å | 1.10Å | |
| C30 | H52 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.50Å | |
| C31 | H53 | sing | 1.09Å | 1.10Å | |
| C31 | H54 | sing | 1.09Å | 1.10Å | |
| C32 | H55 | sing | 1.09Å | 1.10Å | |
| C32 | H56 | sing | 1.09Å | 1.10Å | |
| C33 | O11 | doub | 1.21Å | 1.24Å | |
| N11 | C34 | sing | 1.48Å | 1.47Å | |
| N11 | H57 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.51Å | 1.53Å | |
| C34 | C36 | sing | 1.53Å | 1.54Å | |
| C34 | H58 | sing | 1.09Å | 1.10Å | |
| C35 | O12 | doub | 1.21Å | 1.24Å | |
| C36 | C37 | sing | 1.53Å | 1.55Å | |
| C36 | H59 | sing | 1.09Å | 1.10Å | |
| C36 | H60 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.51Å | 1.53Å | |
| C37 | H61 | sing | 1.09Å | 1.10Å | |
| C37 | H62 | sing | 1.09Å | 1.10Å | |
| C38 | O13 | doub | 1.21Å | 1.25Å | |
| C38 | O14 | sing | 1.34Å | 1.25Å | |
| O14 | H63 | sing | 0.97Å | 0.95Å | |
| N12 | C39 | sing | 1.48Å | 1.47Å | |
| N12 | H64 | sing | 0.97Å | 1.00Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C39 | C49 | sing | 1.51Å | 1.53Å | |
| C39 | H65 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.51Å | 1.52Å | |
| C40 | H66 | sing | 1.09Å | 1.10Å | |
| C40 | H67 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | doub | 1.34Å | 1.37Å | Aromatic |
| C41 | C48 | sing | 1.47Å | 1.44Å | Aromatic |
| C42 | N13 | sing | 1.37Å | 1.37Å | Aromatic |
| C42 | H68 | sing | 1.08Å | 1.08Å | |
| N13 | C43 | sing | 1.38Å | 1.36Å | Aromatic |
| N13 | H69 | sing | 0.97Å | 1.00Å | |
| C43 | C44 | doub | 1.39Å | 1.42Å | Aromatic |
| C43 | C48 | sing | 1.41Å | 1.43Å | Aromatic |
| C44 | C45 | sing | 1.38Å | 1.38Å | Aromatic |
| C44 | H70 | sing | 1.08Å | 1.08Å | |
| C45 | C46 | doub | 1.39Å | 1.43Å | Aromatic |
| C45 | H71 | sing | 1.08Å | 1.08Å | |
| C46 | C47 | sing | 1.37Å | 1.42Å | Aromatic |
| C46 | H72 | sing | 1.08Å | 1.08Å | |
| C47 | C48 | doub | 1.40Å | 1.41Å | Aromatic |
| C47 | H73 | sing | 1.08Å | 1.08Å | |
| C49 | O15 | doub | 1.21Å | 1.24Å | |
| N14 | C50 | sing | 1.48Å | 1.47Å | |
| N14 | H74 | sing | 0.97Å | 1.00Å | |
| C50 | C51 | sing | 1.51Å | 1.53Å | |
| C50 | C52 | sing | 1.53Å | 1.53Å | |
| C50 | H75 | sing | 1.09Å | 1.10Å | |
| C51 | O16 | doub | 1.21Å | 1.23Å | |
| C52 | C53 | sing | 1.53Å | 1.53Å | |
| C52 | H76 | sing | 1.09Å | 1.10Å | |
| C52 | H77 | sing | 1.09Å | 1.10Å | |
| C53 | C54 | sing | 1.51Å | 1.52Å | |
| C53 | H78 | sing | 1.09Å | 1.10Å | |
| C53 | H79 | sing | 1.09Å | 1.10Å | |
| C54 | O17 | doub | 1.21Å | 1.23Å | |
| C54 | N15 | sing | 1.35Å | 1.33Å | |
| N15 | H80 | sing | 0.97Å | 1.00Å | |
| N15 | H81 | sing | 0.97Å | 1.00Å | |
| N16 | C55 | sing | 1.48Å | 1.46Å | |
| N16 | H82 | sing | 0.97Å | 1.00Å | |
| C55 | C56 | sing | 1.53Å | 1.55Å | |
| C55 | C65 | sing | 1.51Å | 1.54Å | |
| C55 | H83 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | sing | 1.51Å | 1.52Å | |
| C56 | H84 | sing | 1.09Å | 1.10Å | |
| C56 | H85 | sing | 1.09Å | 1.10Å | |
| C57 | C58 | doub | 1.34Å | 1.37Å | Aromatic |
| C57 | C64 | sing | 1.46Å | 1.44Å | Aromatic |
| C58 | N17 | sing | 1.37Å | 1.38Å | Aromatic |
| C58 | H86 | sing | 1.08Å | 1.08Å | |
| N17 | C59 | sing | 1.38Å | 1.37Å | Aromatic |
| N17 | H87 | sing | 0.97Å | 1.00Å | |
| C59 | C60 | doub | 1.39Å | 1.42Å | Aromatic |
| C59 | C64 | sing | 1.41Å | 1.42Å | Aromatic |
| C60 | C61 | sing | 1.38Å | 1.39Å | Aromatic |
| C60 | H88 | sing | 1.08Å | 1.08Å | |
| C61 | C62 | doub | 1.39Å | 1.42Å | Aromatic |
| C61 | H89 | sing | 1.08Å | 1.08Å | |
| C62 | C63 | sing | 1.37Å | 1.42Å | Aromatic |
| C62 | H90 | sing | 1.08Å | 1.08Å | |
| C63 | C64 | doub | 1.40Å | 1.42Å | Aromatic |
| C63 | H91 | sing | 1.08Å | 1.08Å | |
| C65 | O18 | doub | 1.21Å | 1.23Å | |
| N18 | C66 | sing | 1.48Å | 1.47Å | |
| N18 | H92 | sing | 0.97Å | 1.00Å | |
| C66 | C67 | sing | 1.53Å | 1.54Å | |
| C66 | C71 | sing | 1.51Å | 1.52Å | |
| C66 | H93 | sing | 1.09Å | 1.10Å | |
| C67 | C68 | sing | 1.53Å | 1.54Å | |
| C67 | H94 | sing | 1.09Å | 1.10Å | |
| C67 | H95 | sing | 1.09Å | 1.10Å | |
| C68 | C69 | sing | 1.53Å | 1.51Å | |
| C68 | C70 | sing | 1.53Å | 1.50Å | |
| C68 | H96 | sing | 1.09Å | 1.10Å | |
| C69 | H97 | sing | 1.09Å | 1.10Å | |
| C69 | H98 | sing | 1.09Å | 1.10Å | |
| C69 | H99 | sing | 1.09Å | 1.10Å | |
| C70 | H100 | sing | 1.09Å | 1.10Å | |
| C70 | H101 | sing | 1.09Å | 1.10Å | |
| C70 | H102 | sing | 1.09Å | 1.10Å | |
| C71 | O19 | doub | 1.21Å | 1.23Å | |
| N19 | C72 | sing | 1.48Å | 1.46Å | |
| N19 | H103 | sing | 0.97Å | 1.00Å | |
| C72 | C73 | sing | 1.51Å | 1.53Å | |
| C72 | C74 | sing | 1.53Å | 1.52Å | |
| C72 | H104 | sing | 1.09Å | 1.10Å | |
| C73 | O20 | doub | 1.21Å | 1.23Å | |
| C74 | S2 | sing | 1.82Å | 1.82Å | |
| C74 | H105 | sing | 1.09Å | 1.10Å | |
| C74 | H106 | sing | 1.09Å | 1.10Å | |
| N20 | C75 | sing | 1.47Å | 1.46Å | |
| N20 | H107 | sing | 0.97Å | 1.00Å | |
| C75 | C76 | sing | 1.53Å | 1.51Å | |
| C75 | C77 | sing | 1.51Å | 1.53Å | |
| C75 | H108 | sing | 1.09Å | 1.10Å | |
| C76 | H109 | sing | 1.09Å | 1.10Å | |
| C76 | H110 | sing | 1.09Å | 1.10Å | |
| C76 | H111 | sing | 1.09Å | 1.10Å | |
| C77 | O21 | doub | 1.21Å | 1.24Å | |
| N21 | C78 | sing | 1.46Å | 1.46Å | |
| N21 | H112 | sing | 0.97Å | 1.00Å | |
| C78 | C79 | sing | 1.53Å | 1.51Å | |
| C78 | C80 | sing | 1.51Å | 1.52Å | |
| C78 | H113 | sing | 1.09Å | 1.10Å | |
| C79 | H114 | sing | 1.09Å | 1.10Å | |
| C79 | H115 | sing | 1.09Å | 1.10Å | |
| C79 | H116 | sing | 1.09Å | 1.10Å | |
| C80 | O22 | doub | 1.21Å | 1.23Å | |
| N22 | H117 | sing | 0.97Å | 1.00Å | |
| N22 | H118 | sing | 0.97Å | 1.00Å | |
| C2 | N3 | sing | 1.35Å | 38.58Å | |
| C8 | N5 | sing | 1.35Å | 1.33Å | |
| C14 | N6 | sing | 1.35Å | 1.34Å | |
| C17 | N7 | sing | 1.35Å | 1.33Å | |
| S1 | S2 | sing | 2.05Å | 2.04Å | |
| C19 | N8 | sing | 1.36Å | 1.33Å | |
| C22 | N9 | sing | 1.36Å | 1.33Å | |
| C27 | N10 | sing | 1.35Å | 1.36Å | |
| C33 | N11 | sing | 1.36Å | 1.34Å | |
| C35 | N12 | sing | 1.37Å | 1.33Å | |
| C49 | N14 | sing | 1.36Å | 1.33Å | |
| C51 | N16 | sing | 1.36Å | 1.34Å | |
| C65 | N18 | sing | 1.36Å | 1.34Å | |
| C71 | N19 | sing | 1.36Å | 1.33Å | |
| C73 | N20 | sing | 1.35Å | 1.34Å | |
| C77 | N21 | sing | 1.35Å | 1.34Å | |
| C80 | N22 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 90.0° | 111.0° |
| C1 | N1 | H2 | 90.0° | 111.0° |
| N1 | C1 | C2 | 90.0° | 109.5° |
| N1 | C1 | C3 | 90.0° | 109.5° |
| N1 | C1 | H3 | 90.0° | 109.5° |
| H1 | N1 | H2 | 90.0° | 111.0° |
| C2 | C1 | C3 | 90.0° | 109.5° |
| C2 | C1 | H3 | 90.0° | 109.5° |
| C1 | C2 | O1 | 90.0° | 120.0° |
| C1 | C2 | N3 | 90.0° | 120.0° |
| C3 | C1 | H3 | 90.0° | 109.4° |
| C1 | C3 | C4 | 90.0° | 109.5° |
| C1 | C3 | H4 | 90.0° | 109.5° |
| C1 | C3 | H5 | 90.0° | 109.5° |
| O1 | C2 | N3 | 90.0° | 120.0° |
| C4 | C3 | H4 | 90.0° | 109.4° |
| C4 | C3 | H5 | 90.0° | 109.4° |
| C3 | C4 | C5 | 90.0° | 109.5° |
| C3 | C4 | H6 | 90.0° | 109.5° |
| C3 | C4 | H7 | 90.0° | 109.5° |
| H4 | C3 | H5 | 90.0° | 109.5° |
| C5 | C4 | H6 | 90.0° | 109.5° |
| C5 | C4 | H7 | 90.0° | 109.5° |
| C4 | C5 | C6 | 90.0° | 109.5° |
| C4 | C5 | H8 | 90.0° | 109.5° |
| C4 | C5 | H9 | 90.0° | 109.5° |
| H6 | C4 | H7 | 90.0° | 109.5° |
| C6 | C5 | H8 | 90.0° | 109.4° |
| C6 | C5 | H9 | 90.0° | 109.4° |
| C5 | C6 | N2 | 90.0° | 109.5° |
| C5 | C6 | H10 | 90.0° | 109.5° |
| C5 | C6 | H11 | 90.0° | 109.5° |
| H8 | C5 | H9 | 90.0° | 109.5° |
| N2 | C6 | H10 | 90.0° | 109.5° |
| N2 | C6 | H11 | 90.0° | 109.4° |
| C6 | N2 | H12 | 90.0° | 111.0° |
| C6 | N2 | H13 | 90.0° | 111.0° |
| H10 | C6 | H11 | 90.0° | 109.4° |
| H12 | N2 | H13 | 90.0° | 111.0° |
| C7 | N3 | H14 | 148.0° | 120.0° |
| N3 | C7 | C8 | 113.2° | 109.5° |
| N3 | C7 | C9 | 110.7° | 109.4° |
| N3 | C7 | H15 | 107.8° | 109.5° |
| C7 | N3 | C2 | 64.1° | 120.0° |
| H14 | N3 | C2 | 147.9° | 120.0° |
| C8 | C7 | C9 | 110.1° | 109.5° |
| C8 | C7 | H15 | 107.4° | 109.5° |
| C7 | C8 | O2 | 120.8° | 120.0° |
| C7 | C8 | N5 | 115.6° | 120.0° |
| C9 | C7 | H15 | 107.3° | 109.4° |
| C7 | C9 | C10 | 114.5° | 109.5° |
| C7 | C9 | H16 | 108.2° | 109.4° |
| C7 | C9 | H17 | 108.2° | 109.5° |
| O2 | C8 | N5 | 123.5° | 120.0° |
| C10 | C9 | H16 | 108.2° | 109.5° |
| C10 | C9 | H17 | 108.2° | 109.5° |
| C9 | C10 | C11 | 111.2° | 109.5° |
| C9 | C10 | H18 | 109.0° | 109.4° |
| C9 | C10 | H19 | 109.0° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.4° |
| C11 | C10 | H18 | 109.0° | 109.5° |
| C11 | C10 | H19 | 109.0° | 109.4° |
| C10 | C11 | C12 | 111.4° | 109.5° |
| C10 | C11 | H20 | 109.0° | 109.4° |
| C10 | C11 | H21 | 109.0° | 109.5° |
| H18 | C10 | H19 | 109.5° | 109.5° |
| C12 | C11 | H20 | 109.0° | 109.5° |
| C12 | C11 | H21 | 109.0° | 109.5° |
| C11 | C12 | N4 | 112.5° | 109.5° |
| C11 | C12 | H22 | 108.7° | 109.4° |
| C11 | C12 | H23 | 108.7° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.4° |
| N4 | C12 | H22 | 108.7° | 109.5° |
| N4 | C12 | H23 | 108.7° | 109.5° |
| C12 | N4 | H24 | 109.5° | 111.0° |
| C12 | N4 | H25 | 109.5° | 111.0° |
| H22 | C12 | H23 | 109.4° | 109.4° |
| H24 | N4 | H25 | 109.4° | 111.0° |
| C13 | N5 | H26 | 118.1° | 120.0° |
| N5 | C13 | C14 | 112.4° | 109.5° |
| N5 | C13 | H27 | 108.7° | 109.5° |
| N5 | C13 | H28 | 108.7° | 109.5° |
| C13 | N5 | C8 | 123.8° | 120.0° |
| H26 | N5 | C8 | 118.1° | 120.1° |
| C14 | C13 | H27 | 108.7° | 109.4° |
| C14 | C13 | H28 | 108.7° | 109.5° |
| C13 | C14 | O3 | 120.2° | 120.0° |
| C13 | C14 | N6 | 116.7° | 120.0° |
| H27 | C13 | H28 | 109.5° | 109.5° |
| O3 | C14 | N6 | 123.1° | 120.0° |
| C15 | N6 | H29 | 118.3° | 120.0° |
| N6 | C15 | C16 | 110.4° | 109.5° |
| N6 | C15 | C17 | 114.5° | 109.5° |
| N6 | C15 | H30 | 107.6° | 109.5° |
| C15 | N6 | C14 | 123.5° | 120.0° |
| H29 | N6 | C14 | 118.2° | 120.0° |
| C16 | C15 | C17 | 110.1° | 109.5° |
| C16 | C15 | H30 | 106.9° | 109.4° |
| C15 | C16 | H31 | 109.5° | 109.5° |
| C15 | C16 | H32 | 109.5° | 109.4° |
| C15 | C16 | H33 | 109.5° | 109.5° |
| C17 | C15 | H30 | 107.0° | 109.5° |
| C15 | C17 | O4 | 120.6° | 119.9° |
| C15 | C17 | N7 | 115.5° | 120.1° |
| H31 | C16 | H32 | 109.5° | 109.5° |
| H31 | C16 | H33 | 109.4° | 109.5° |
| H32 | C16 | H33 | 109.4° | 109.5° |
| O4 | C17 | N7 | 123.8° | 120.0° |
| C18 | N7 | H34 | 118.5° | 120.0° |
| N7 | C18 | C19 | 115.8° | 109.5° |
| N7 | C18 | C20 | 109.4° | 109.5° |
| N7 | C18 | H35 | 106.8° | 109.4° |
| C18 | N7 | C17 | 122.9° | 120.0° |
| H34 | N7 | C17 | 118.6° | 119.9° |
| C19 | C18 | C20 | 112.1° | 109.5° |
| C19 | C18 | H35 | 106.1° | 109.5° |
| C18 | C19 | O5 | 120.4° | 120.4° |
| C18 | C19 | N8 | 115.9° | 119.1° |
| C20 | C18 | H35 | 106.1° | 109.5° |
| C18 | C20 | S1 | 111.4° | 109.5° |
| C18 | C20 | H36 | 109.0° | 109.5° |
| C18 | C20 | H37 | 109.0° | 109.5° |
| O5 | C19 | N8 | 123.5° | 120.5° |
| S1 | C20 | H36 | 109.0° | 109.4° |
| S1 | C20 | H37 | 109.0° | 109.4° |
| C20 | S1 | S2 | 103.4° | 102.9° |
| H36 | C20 | H37 | 109.5° | 109.5° |
| C21 | N8 | H38 | 118.3° | 122.1° |
| N8 | C21 | C22 | 112.7° | 108.9° |
| N8 | C21 | C23 | 109.7° | 109.5° |
| N8 | C21 | H39 | 108.3° | 109.6° |
| C21 | N8 | C19 | 123.5° | 115.8° |
| H38 | N8 | C19 | 118.2° | 122.1° |
| C22 | C21 | C23 | 111.1° | 109.5° |
| C22 | C21 | H39 | 107.4° | 109.6° |
| C21 | C22 | O6 | 120.7° | 120.4° |
| C21 | C22 | N9 | 116.2° | 119.1° |
| C23 | C21 | H39 | 107.4° | 109.7° |
| C21 | C23 | C24 | 113.1° | 109.5° |
| C21 | C23 | H40 | 108.5° | 109.5° |
| C21 | C23 | H41 | 108.5° | 109.5° |
| O6 | C22 | N9 | 123.1° | 120.4° |
| C24 | C23 | H40 | 108.6° | 109.5° |
| C24 | C23 | H41 | 108.5° | 109.4° |
| C23 | C24 | C25 | 113.4° | 109.5° |
| C23 | C24 | H42 | 108.5° | 109.5° |
| C23 | C24 | H43 | 108.5° | 109.5° |
| H40 | C23 | H41 | 109.5° | 109.5° |
| C25 | C24 | H42 | 108.5° | 109.5° |
| C25 | C24 | H43 | 108.5° | 109.5° |
| C24 | C25 | O7 | 118.7° | 120.0° |
| C24 | C25 | O8 | 118.2° | 120.1° |
| H42 | C24 | H43 | 109.5° | 109.4° |
| O7 | C25 | O8 | 123.1° | 120.0° |
| C25 | O8 | H44 | 109.5° | 117.1° |
| C26 | N9 | H45 | 118.5° | 121.7° |
| N9 | C26 | C27 | 108.2° | 109.0° |
| N9 | C26 | C28 | 109.9° | 109.5° |
| N9 | C26 | H46 | 109.9° | 109.5° |
| C26 | N9 | C22 | 123.1° | 116.6° |
| H45 | N9 | C22 | 118.4° | 121.7° |
| C27 | C26 | C28 | 110.9° | 109.5° |
| C27 | C26 | H46 | 108.9° | 109.6° |
| C26 | C27 | O9 | 119.8° | 120.1° |
| C26 | C27 | N10 | 118.1° | 119.8° |
| C28 | C26 | H46 | 109.0° | 109.7° |
| C26 | C28 | O10 | 110.9° | 109.5° |
| C26 | C28 | H47 | 109.1° | 109.5° |
| C26 | C28 | H48 | 109.1° | 109.4° |
| O9 | C27 | N10 | 122.1° | 120.1° |
| O10 | C28 | H47 | 109.1° | 109.5° |
| O10 | C28 | H48 | 109.1° | 109.4° |
| C28 | O10 | H49 | 109.5° | 114.0° |
| H47 | C28 | H48 | 109.5° | 109.5° |
| C29 | N10 | C32 | 110.3° | 109.0° |
| N10 | C29 | C30 | 103.2° | 107.7° |
| N10 | C29 | C33 | 119.1° | 109.8° |
| N10 | C29 | H50 | 107.8° | 109.9° |
| C29 | N10 | C27 | 123.6° | 125.7° |
| N10 | C32 | C31 | 102.3° | 107.7° |
| N10 | C32 | H55 | 111.2° | 109.8° |
| N10 | C32 | H56 | 111.2° | 109.8° |
| C32 | N10 | C27 | 126.1° | 125.4° |
| C30 | C29 | C33 | 112.0° | 109.7° |
| C30 | C29 | H50 | 107.1° | 109.8° |
| C29 | C30 | C31 | 104.0° | 106.0° |
| C29 | C30 | H51 | 110.8° | 110.2° |
| C29 | C30 | H52 | 110.8° | 110.2° |
| C33 | C29 | H50 | 107.0° | 109.9° |
| C29 | C33 | O11 | 119.7° | 120.3° |
| C29 | C33 | N11 | 117.1° | 119.4° |
| C31 | C30 | H51 | 110.8° | 110.1° |
| C31 | C30 | H52 | 110.8° | 110.1° |
| C30 | C31 | C32 | 102.1° | 106.1° |
| C30 | C31 | H53 | 111.3° | 110.2° |
| C30 | C31 | H54 | 111.3° | 110.1° |
| H51 | C30 | H52 | 109.4° | 110.2° |
| C32 | C31 | H53 | 111.3° | 110.1° |
| C32 | C31 | H54 | 111.3° | 110.1° |
| C31 | C32 | H55 | 111.2° | 109.8° |
| C31 | C32 | H56 | 111.2° | 109.8° |
| H53 | C31 | H54 | 109.5° | 110.1° |
| H55 | C32 | H56 | 109.5° | 109.9° |
| O11 | C33 | N11 | 123.2° | 120.3° |
| C34 | N11 | H57 | 119.0° | 121.7° |
| N11 | C34 | C35 | 113.6° | 109.2° |
| N11 | C34 | C36 | 110.7° | 109.5° |
| N11 | C34 | H58 | 108.0° | 109.5° |
| C34 | N11 | C33 | 122.1° | 116.6° |
| H57 | N11 | C33 | 119.0° | 121.7° |
| C35 | C34 | C36 | 109.7° | 109.6° |
| C35 | C34 | H58 | 107.3° | 109.5° |
| C34 | C35 | O12 | 120.7° | 120.8° |
| C34 | C35 | N12 | 116.2° | 118.5° |
| C36 | C34 | H58 | 107.2° | 109.5° |
| C34 | C36 | C37 | 116.0° | 109.5° |
| C34 | C36 | H59 | 107.8° | 109.5° |
| C34 | C36 | H60 | 107.8° | 109.4° |
| O12 | C35 | N12 | 123.1° | 120.8° |
| C37 | C36 | H59 | 107.8° | 109.5° |
| C37 | C36 | H60 | 107.8° | 109.5° |
| C36 | C37 | C38 | 114.8° | 109.5° |
| C36 | C37 | H61 | 108.1° | 109.5° |
| C36 | C37 | H62 | 108.1° | 109.5° |
| H59 | C36 | H60 | 109.5° | 109.5° |
| C38 | C37 | H61 | 108.1° | 109.4° |
| C38 | C37 | H62 | 108.1° | 109.5° |
| C37 | C38 | O13 | 120.1° | 119.9° |
| C37 | C38 | O14 | 117.7° | 120.0° |
| H61 | C37 | H62 | 109.5° | 109.5° |
| O13 | C38 | O14 | 122.1° | 120.0° |
| C38 | O14 | H63 | 109.5° | 117.0° |
| C39 | N12 | H64 | 118.9° | 122.0° |
| N12 | C39 | C40 | 109.9° | 109.6° |
| N12 | C39 | C49 | 115.0° | 108.5° |
| N12 | C39 | H65 | 107.9° | 109.6° |
| C39 | N12 | C35 | 122.2° | 116.0° |
| H64 | N12 | C35 | 118.9° | 122.0° |
| C40 | C39 | C49 | 109.6° | 109.6° |
| C40 | C39 | H65 | 107.1° | 109.6° |
| C39 | C40 | C41 | 115.0° | 109.5° |
| C39 | C40 | H66 | 108.1° | 109.4° |
| C39 | C40 | H67 | 108.0° | 109.4° |
| C49 | C39 | H65 | 107.1° | 109.9° |
| C39 | C49 | O15 | 120.5° | 120.4° |
| C39 | C49 | N14 | 116.5° | 119.3° |
| C41 | C40 | H66 | 108.1° | 109.5° |
| C41 | C40 | H67 | 108.1° | 109.5° |
| C40 | C41 | C42 | 126.9° | 126.5° |
| C40 | C41 | C48 | 126.7° | 126.5° |
| H66 | C40 | H67 | 109.5° | 109.5° |
| C42 | C41 | C48 | 106.3° | 107.0° |
| C41 | C42 | N13 | 110.3° | 109.9° |
| C41 | C42 | H68 | 124.8° | 125.1° |
| C41 | C48 | C43 | 106.6° | 106.0° |
| C41 | C48 | C47 | 134.1° | 134.1° |
| N13 | C42 | H68 | 124.9° | 125.0° |
| C42 | N13 | C43 | 109.2° | 109.9° |
| C42 | N13 | H69 | 125.4° | 125.1° |
| C43 | N13 | H69 | 125.4° | 125.1° |
| N13 | C43 | C44 | 130.4° | 133.5° |
| N13 | C43 | C48 | 107.5° | 107.2° |
| C44 | C43 | C48 | 122.0° | 119.3° |
| C43 | C44 | C45 | 118.0° | 119.8° |
| C43 | C44 | H70 | 121.0° | 120.1° |
| C43 | C48 | C47 | 119.3° | 119.9° |
| C45 | C44 | H70 | 121.0° | 120.1° |
| C44 | C45 | C46 | 121.2° | 120.6° |
| C44 | C45 | H71 | 119.4° | 119.7° |
| C46 | C45 | H71 | 119.4° | 119.7° |
| C45 | C46 | C47 | 120.7° | 120.5° |
| C45 | C46 | H72 | 119.7° | 119.7° |
| C47 | C46 | H72 | 119.7° | 119.8° |
| C46 | C47 | C48 | 118.7° | 119.8° |
| C46 | C47 | H73 | 120.6° | 120.1° |
| C48 | C47 | H73 | 120.6° | 120.1° |
| O15 | C49 | N14 | 122.9° | 120.3° |
| C50 | N14 | H74 | 118.7° | 121.7° |
| N14 | C50 | C51 | 114.8° | 108.8° |
| N14 | C50 | C52 | 110.3° | 109.5° |
| N14 | C50 | H75 | 107.3° | 109.6° |
| C50 | N14 | C49 | 122.5° | 116.7° |
| H74 | N14 | C49 | 118.7° | 121.6° |
| C51 | C50 | C52 | 110.8° | 109.6° |
| C51 | C50 | H75 | 106.6° | 109.6° |
| C50 | C51 | O16 | 120.3° | 120.5° |
| C50 | C51 | N16 | 116.0° | 119.1° |
| C52 | C50 | H75 | 106.6° | 109.7° |
| C50 | C52 | C53 | 114.5° | 109.5° |
| C50 | C52 | H76 | 108.2° | 109.5° |
| C50 | C52 | H77 | 108.2° | 109.4° |
| O16 | C51 | N16 | 123.6° | 120.4° |
| C53 | C52 | H76 | 108.2° | 109.5° |
| C53 | C52 | H77 | 108.2° | 109.5° |
| C52 | C53 | C54 | 113.4° | 109.5° |
| C52 | C53 | H78 | 108.5° | 109.5° |
| C52 | C53 | H79 | 108.5° | 109.5° |
| H76 | C52 | H77 | 109.5° | 109.4° |
| C54 | C53 | H78 | 108.5° | 109.5° |
| C54 | C53 | H79 | 108.5° | 109.5° |
| C53 | C54 | O17 | 120.9° | 120.0° |
| C53 | C54 | N15 | 116.5° | 120.0° |
| H78 | C53 | H79 | 109.5° | 109.5° |
| O17 | C54 | N15 | 122.7° | 120.0° |
| C54 | N15 | H80 | 120.0° | 120.0° |
| C54 | N15 | H81 | 120.0° | 120.0° |
| H80 | N15 | H81 | 120.0° | 120.0° |
| C55 | N16 | H82 | 118.3° | 122.1° |
| N16 | C55 | C56 | 110.3° | 109.6° |
| N16 | C55 | C65 | 110.5° | 108.8° |
| N16 | C55 | H83 | 108.9° | 109.6° |
| C55 | N16 | C51 | 123.5° | 115.8° |
| H82 | N16 | C51 | 118.2° | 122.1° |
| C56 | C55 | C65 | 111.5° | 109.6° |
| C56 | C55 | H83 | 107.8° | 109.6° |
| C55 | C56 | C57 | 114.5° | 109.5° |
| C55 | C56 | H84 | 108.2° | 109.5° |
| C55 | C56 | H85 | 108.2° | 109.5° |
| C65 | C55 | H83 | 107.9° | 109.7° |
| C55 | C65 | O18 | 120.6° | 120.4° |
| C55 | C65 | N18 | 115.9° | 119.2° |
| C57 | C56 | H84 | 108.2° | 109.5° |
| C57 | C56 | H85 | 108.2° | 109.4° |
| C56 | C57 | C58 | 126.8° | 126.5° |
| C56 | C57 | C64 | 126.8° | 126.5° |
| H84 | C56 | H85 | 109.5° | 109.4° |
| C58 | C57 | C64 | 106.1° | 107.0° |
| C57 | C58 | N17 | 110.3° | 110.0° |
| C57 | C58 | H86 | 124.8° | 125.0° |
| C57 | C64 | C59 | 107.1° | 106.1° |
| C57 | C64 | C63 | 134.0° | 134.1° |
| N17 | C58 | H86 | 124.9° | 125.0° |
| C58 | N17 | C59 | 109.1° | 109.9° |
| C58 | N17 | H87 | 125.5° | 125.1° |
| C59 | N17 | H87 | 125.4° | 125.0° |
| N17 | C59 | C60 | 130.3° | 133.5° |
| N17 | C59 | C64 | 107.4° | 107.1° |
| C60 | C59 | C64 | 122.3° | 119.3° |
| C59 | C60 | C61 | 117.9° | 119.8° |
| C59 | C60 | H88 | 121.1° | 120.2° |
| C59 | C64 | C63 | 118.9° | 119.9° |
| C61 | C60 | H88 | 121.0° | 120.1° |
| C60 | C61 | C62 | 121.4° | 120.6° |
| C60 | C61 | H89 | 119.3° | 119.6° |
| C62 | C61 | H89 | 119.3° | 119.7° |
| C61 | C62 | C63 | 120.6° | 120.6° |
| C61 | C62 | H90 | 119.7° | 119.7° |
| C63 | C62 | H90 | 119.7° | 119.8° |
| C62 | C63 | C64 | 118.9° | 119.8° |
| C62 | C63 | H91 | 120.5° | 120.1° |
| C64 | C63 | H91 | 120.5° | 120.1° |
| O18 | C65 | N18 | 123.5° | 120.4° |
| C66 | N18 | H92 | 118.4° | 121.6° |
| N18 | C66 | C67 | 111.5° | 109.6° |
| N18 | C66 | C71 | 108.7° | 108.9° |
| N18 | C66 | H93 | 109.6° | 109.5° |
| C66 | N18 | C65 | 123.2° | 116.8° |
| H92 | N18 | C65 | 118.4° | 121.6° |
| C67 | C66 | C71 | 109.2° | 109.6° |
| C67 | C66 | H93 | 108.7° | 109.6° |
| C66 | C67 | C68 | 121.4° | 109.4° |
| C66 | C67 | H94 | 106.4° | 109.4° |
| C66 | C67 | H95 | 106.4° | 109.5° |
| C71 | C66 | H93 | 109.0° | 109.6° |
| C66 | C71 | O19 | 120.5° | 120.5° |
| C66 | C71 | N19 | 115.6° | 118.9° |
| C68 | C67 | H94 | 106.4° | 109.5° |
| C68 | C67 | H95 | 106.4° | 109.5° |
| C67 | C68 | C69 | 114.5° | 109.5° |
| C67 | C68 | C70 | 108.5° | 109.4° |
| C67 | C68 | H96 | 107.1° | 109.5° |
| H94 | C67 | H95 | 109.4° | 109.5° |
| C69 | C68 | C70 | 111.5° | 109.5° |
| C69 | C68 | H96 | 107.4° | 109.5° |
| C68 | C69 | H97 | 109.5° | 109.5° |
| C68 | C69 | H98 | 109.5° | 109.5° |
| C68 | C69 | H99 | 109.5° | 109.5° |
| C70 | C68 | H96 | 107.5° | 109.5° |
| C68 | C70 | H100 | 109.5° | 109.5° |
| C68 | C70 | H101 | 109.5° | 109.5° |
| C68 | C70 | H102 | 109.5° | 109.5° |
| H97 | C69 | H98 | 109.4° | 109.5° |
| H97 | C69 | H99 | 109.5° | 109.5° |
| H98 | C69 | H99 | 109.5° | 109.4° |
| H100 | C70 | H101 | 109.5° | 109.5° |
| H100 | C70 | H102 | 109.4° | 109.4° |
| H101 | C70 | H102 | 109.5° | 109.4° |
| O19 | C71 | N19 | 123.9° | 120.6° |
| C72 | N19 | H103 | 118.4° | 122.1° |
| N19 | C72 | C73 | 109.6° | 109.6° |
| N19 | C72 | C74 | 109.4° | 108.7° |
| N19 | C72 | H104 | 109.9° | 109.6° |
| C72 | N19 | C71 | 123.3° | 115.8° |
| H103 | N19 | C71 | 118.3° | 122.1° |
| C73 | C72 | C74 | 110.1° | 109.6° |
| C73 | C72 | H104 | 108.8° | 109.6° |
| C72 | C73 | O20 | 120.5° | 120.0° |
| C72 | C73 | N20 | 115.8° | 120.0° |
| C74 | C72 | H104 | 109.0° | 109.7° |
| C72 | C74 | S2 | 114.5° | 109.5° |
| C72 | C74 | H105 | 108.2° | 109.5° |
| C72 | C74 | H106 | 108.2° | 109.4° |
| O20 | C73 | N20 | 123.6° | 120.0° |
| S2 | C74 | H105 | 108.2° | 109.4° |
| S2 | C74 | H106 | 108.2° | 109.5° |
| C74 | S2 | S1 | 104.8° | 103.1° |
| H105 | C74 | H106 | 109.5° | 109.5° |
| C75 | N20 | H107 | 118.2° | 120.0° |
| N20 | C75 | C76 | 109.9° | 109.5° |
| N20 | C75 | C77 | 112.5° | 109.5° |
| N20 | C75 | H108 | 108.7° | 109.5° |
| C75 | N20 | C73 | 123.5° | 120.0° |
| H107 | N20 | C73 | 118.2° | 120.1° |
| C76 | C75 | C77 | 109.7° | 109.4° |
| C76 | C75 | H108 | 108.1° | 109.4° |
| C75 | C76 | H109 | 109.5° | 109.5° |
| C75 | C76 | H110 | 109.4° | 109.5° |
| C75 | C76 | H111 | 109.5° | 109.5° |
| C77 | C75 | H108 | 107.9° | 109.5° |
| C75 | C77 | O21 | 120.4° | 120.0° |
| C75 | C77 | N21 | 116.1° | 120.0° |
| H109 | C76 | H110 | 109.4° | 109.4° |
| H109 | C76 | H111 | 109.5° | 109.5° |
| H110 | C76 | H111 | 109.5° | 109.5° |
| O21 | C77 | N21 | 123.5° | 120.0° |
| C78 | N21 | H112 | 118.3° | 120.0° |
| N21 | C78 | C79 | 109.9° | 109.5° |
| N21 | C78 | C80 | 112.1° | 109.5° |
| N21 | C78 | H113 | 108.6° | 109.5° |
| C78 | N21 | C77 | 123.4° | 120.0° |
| H112 | N21 | C77 | 118.3° | 120.0° |
| C79 | C78 | C80 | 110.4° | 109.5° |
| C79 | C78 | H113 | 107.9° | 109.4° |
| C78 | C79 | H114 | 109.5° | 109.5° |
| C78 | C79 | H115 | 109.5° | 109.4° |
| C78 | C79 | H116 | 109.5° | 109.5° |
| C80 | C78 | H113 | 107.8° | 109.5° |
| C78 | C80 | O22 | 120.8° | 120.0° |
| C78 | C80 | N22 | 117.0° | 120.0° |
| H114 | C79 | H115 | 109.5° | 109.4° |
| H114 | C79 | H116 | 109.5° | 109.5° |
| H115 | C79 | H116 | 109.5° | 109.5° |
| O22 | C80 | N22 | 122.2° | 119.9° |
| H117 | N22 | H118 | 120.0° | 120.0° |
| H117 | N22 | C80 | 120.0° | 120.0° |
| H118 | N22 | C80 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 90.0° | 123.9° |
| N1 | C1 | C2 | C3 | 90.0° | 120.0° |
| N1 | C1 | C2 | H3 | 90.0° | 120.0° |
| N1 | C1 | C3 | H3 | 90.0° | 120.0° |
| N1 | C1 | C2 | O1 | 90.0° | 20.0° |
| N1 | C1 | C3 | C4 | 90.0° | 65.0° |
| N1 | C1 | C3 | H4 | 90.0° | 175.0° |
| N1 | C1 | C3 | H5 | 90.0° | 55.0° |
| N1 | C1 | C2 | N3 | 90.0° | 160.0° |
| H1 | N1 | C1 | C2 | 90.0° | 176.1° |
| H1 | N1 | C1 | C3 | 90.0° | 63.9° |
| H1 | N1 | C1 | H3 | 90.0° | 56.1° |
| H2 | N1 | C1 | C2 | 90.0° | 60.0° |
| H2 | N1 | C1 | C3 | 90.0° | 60.0° |
| H2 | N1 | C1 | H3 | 90.0° | 180.0° |
| C2 | C1 | C3 | H3 | 90.0° | 120.0° |
| C1 | C2 | O1 | N3 | 90.0° | 180.0° |
| C2 | C1 | C3 | C4 | 90.0° | 175.0° |
| C2 | C1 | C3 | H4 | 90.0° | 55.0° |
| C2 | C1 | C3 | H5 | 90.0° | 65.1° |
| C1 | C2 | N3 | C7 | 90.0° | 180.0° |
| C1 | C2 | N3 | H14 | 90.0° | 0.0° |
| C3 | C1 | C2 | O1 | 90.0° | 100.0° |
| C1 | C3 | C4 | H4 | 90.0° | 120.0° |
| C1 | C3 | C4 | H5 | 90.0° | 120.0° |
| C1 | C3 | H4 | H5 | 90.0° | 120.1° |
| C1 | C3 | C4 | C5 | 90.0° | 180.0° |
| C1 | C3 | C4 | H6 | 90.0° | 60.0° |
| C1 | C3 | C4 | H7 | 90.0° | 60.0° |
| C3 | C1 | C2 | N3 | 90.0° | 80.0° |
| H3 | C1 | C2 | O1 | 90.0° | 140.0° |
| H3 | C1 | C3 | C4 | 90.0° | 55.0° |
| H3 | C1 | C3 | H4 | 90.0° | 65.0° |
| H3 | C1 | C3 | H5 | 90.0° | 175.0° |
| H3 | C1 | C2 | N3 | 90.0° | 40.0° |
| O1 | C2 | N3 | C7 | 90.0° | 0.0° |
| O1 | C2 | N3 | H14 | 90.0° | 180.0° |
| C4 | C3 | H4 | H5 | 90.0° | 119.9° |
| C3 | C4 | C5 | H6 | 90.0° | 120.0° |
| C3 | C4 | C5 | H7 | 90.0° | 120.0° |
| C3 | C4 | H6 | H7 | 90.0° | 120.0° |
| C3 | C4 | C5 | C6 | 90.0° | 180.0° |
| C3 | C4 | C5 | H8 | 90.0° | 60.0° |
| C3 | C4 | C5 | H9 | 90.0° | 60.0° |
| H4 | C3 | C4 | C5 | 90.0° | 60.0° |
| H4 | C3 | C4 | H6 | 90.0° | 180.0° |
| H4 | C3 | C4 | H7 | 90.0° | 60.0° |
| H5 | C3 | C4 | C5 | 90.0° | 60.0° |
| H5 | C3 | C4 | H6 | 90.0° | 60.0° |
| H5 | C3 | C4 | H7 | 90.0° | 180.0° |
| C5 | C4 | H6 | H7 | 90.0° | 120.0° |
| C4 | C5 | C6 | H8 | 90.0° | 120.0° |
| C4 | C5 | C6 | H9 | 90.0° | 120.0° |
| C4 | C5 | H8 | H9 | 90.0° | 120.1° |
| C4 | C5 | C6 | N2 | 90.0° | 180.0° |
| C4 | C5 | C6 | H10 | 90.0° | 60.0° |
| C4 | C5 | C6 | H11 | 90.0° | 60.0° |
| H6 | C4 | C5 | C6 | 90.0° | 60.0° |
| H6 | C4 | C5 | H8 | 90.0° | 180.0° |
| H6 | C4 | C5 | H9 | 90.0° | 60.0° |
| H7 | C4 | C5 | C6 | 90.0° | 60.0° |
| H7 | C4 | C5 | H8 | 90.0° | 60.0° |
| H7 | C4 | C5 | H9 | 90.0° | 180.0° |
| C6 | C5 | H8 | H9 | 90.0° | 119.9° |
| C5 | C6 | N2 | H10 | 90.0° | 120.0° |
| C5 | C6 | N2 | H11 | 90.0° | 120.1° |
| C5 | C6 | H10 | H11 | 90.0° | 120.0° |
| C5 | C6 | N2 | H12 | 90.0° | 56.1° |
| C5 | C6 | N2 | H13 | 90.0° | 180.0° |
| H8 | C5 | C6 | N2 | 90.0° | 60.0° |
| H8 | C5 | C6 | H10 | 90.0° | 180.0° |
| H8 | C5 | C6 | H11 | 90.0° | 60.0° |
| H9 | C5 | C6 | N2 | 90.0° | 60.0° |
| H9 | C5 | C6 | H10 | 90.0° | 60.0° |
| H9 | C5 | C6 | H11 | 90.0° | 180.0° |
| N2 | C6 | H10 | H11 | 90.0° | 119.9° |
| C6 | N2 | H12 | H13 | 90.0° | 124.0° |
| H10 | C6 | N2 | H12 | 90.0° | 64.0° |
| H10 | C6 | N2 | H13 | 90.0° | 60.0° |
| H11 | C6 | N2 | H12 | 90.0° | 176.1° |
| H11 | C6 | N2 | H13 | 90.0° | 59.9° |
| C7 | N3 | H14 | C2 | 179.9° | 180.0° |
| N3 | C7 | C8 | C9 | 124.5° | 120.0° |
| N3 | C7 | C8 | H15 | 118.9° | 120.1° |
| N3 | C7 | C9 | H15 | 117.5° | 120.0° |
| N3 | C7 | C8 | O2 | 49.8° | 0.1° |
| N3 | C7 | C9 | C10 | 76.2° | 65.0° |
| N3 | C7 | C9 | H16 | 163.0° | 175.0° |
| N3 | C7 | C9 | H17 | 44.5° | 55.1° |
| N3 | C7 | C8 | N5 | 132.3° | 180.0° |
| H14 | N3 | C7 | C8 | 140.6° | 25.0° |
| H14 | N3 | C7 | C9 | 16.5° | 95.0° |
| H14 | N3 | C7 | H15 | 100.7° | 145.0° |
| C8 | C7 | C9 | H15 | 116.6° | 120.0° |
| C7 | C8 | O2 | N5 | 177.7° | 179.9° |
| C8 | C7 | C9 | C10 | 157.9° | 175.0° |
| C8 | C7 | C9 | H16 | 37.1° | 55.0° |
| C8 | C7 | C9 | H17 | 81.4° | 64.9° |
| C7 | C8 | N5 | C13 | 179.8° | 180.0° |
| C7 | C8 | N5 | H26 | 0.2° | 0.0° |
| C8 | C7 | N3 | C2 | 39.3° | 155.0° |
| C9 | C7 | C8 | O2 | 74.7° | 120.0° |
| C7 | C9 | C10 | H16 | 120.8° | 120.0° |
| C7 | C9 | C10 | H17 | 120.7° | 120.1° |
| C7 | C9 | H16 | H17 | 117.8° | 120.0° |
| C7 | C9 | C10 | C11 | 167.3° | 180.0° |
| C7 | C9 | C10 | H18 | 72.4° | 60.0° |
| C7 | C9 | C10 | H19 | 47.1° | 60.0° |
| C9 | C7 | N3 | C2 | 163.5° | 85.0° |
| C9 | C7 | C8 | N5 | 103.2° | 60.1° |
| H15 | C7 | C8 | O2 | 168.8° | 120.0° |
| H15 | C7 | C9 | C10 | 41.3° | 55.0° |
| H15 | C7 | C9 | H16 | 79.5° | 65.0° |
| H15 | C7 | C9 | H17 | 162.0° | 175.1° |
| H15 | C7 | N3 | C2 | 79.4° | 35.0° |
| H15 | C7 | C8 | N5 | 13.3° | 59.9° |
| O2 | C8 | N5 | C13 | 2.3° | 0.1° |
| O2 | C8 | N5 | H26 | 177.7° | 180.0° |
| C10 | C9 | H16 | H17 | 117.7° | 120.0° |
| C9 | C10 | C11 | H18 | 120.3° | 120.0° |
| C9 | C10 | C11 | H19 | 120.3° | 120.0° |
| C9 | C10 | H18 | H19 | 119.2° | 120.0° |
| C9 | C10 | C11 | C12 | 174.3° | 180.0° |
| C9 | C10 | C11 | H20 | 54.0° | 60.0° |
| C9 | C10 | C11 | H21 | 65.4° | 59.9° |
| H16 | C9 | C10 | C11 | 46.6° | 60.0° |
| H16 | C9 | C10 | H18 | 166.8° | 180.0° |
| H16 | C9 | C10 | H19 | 73.7° | 60.0° |
| H17 | C9 | C10 | C11 | 71.9° | 59.9° |
| H17 | C9 | C10 | H18 | 48.4° | 60.1° |
| H17 | C9 | C10 | H19 | 167.8° | 179.9° |
| C11 | C10 | H18 | H19 | 119.2° | 119.9° |
| C10 | C11 | C12 | H20 | 120.3° | 120.0° |
| C10 | C11 | C12 | H21 | 120.3° | 120.1° |
| C10 | C11 | H20 | H21 | 119.1° | 120.0° |
| C10 | C11 | C12 | N4 | 177.6° | 180.0° |
| C10 | C11 | C12 | H22 | 62.0° | 60.0° |
| C10 | C11 | C12 | H23 | 57.1° | 60.0° |
| H18 | C10 | C11 | C12 | 65.5° | 60.0° |
| H18 | C10 | C11 | H20 | 174.3° | 180.0° |
| H18 | C10 | C11 | H21 | 54.8° | 60.1° |
| H19 | C10 | C11 | C12 | 54.0° | 60.0° |
| H19 | C10 | C11 | H20 | 66.3° | 60.0° |
| H19 | C10 | C11 | H21 | 174.3° | 180.0° |
| C12 | C11 | H20 | H21 | 119.1° | 120.0° |
| C11 | C12 | N4 | H22 | 120.5° | 120.0° |
| C11 | C12 | N4 | H23 | 120.5° | 120.1° |
| C11 | C12 | H22 | H23 | 118.7° | 120.0° |
| C11 | C12 | N4 | H24 | 180.0° | 56.0° |
| C11 | C12 | N4 | H25 | 60.0° | 180.0° |
| H20 | C11 | C12 | N4 | 57.3° | 60.0° |
| H20 | C11 | C12 | H22 | 177.7° | 180.0° |
| H20 | C11 | C12 | H23 | 63.2° | 60.0° |
| H21 | C11 | C12 | N4 | 62.1° | 59.9° |
| H21 | C11 | C12 | H22 | 58.4° | 60.1° |
| H21 | C11 | C12 | H23 | 177.4° | 180.0° |
| N4 | C12 | H22 | H23 | 118.6° | 120.0° |
| C12 | N4 | H24 | H25 | 120.0° | 124.0° |
| H22 | C12 | N4 | H24 | 59.6° | 64.0° |
| H22 | C12 | N4 | H25 | 179.5° | 60.0° |
| H23 | C12 | N4 | H24 | 59.5° | 176.0° |
| H23 | C12 | N4 | H25 | 60.4° | 59.9° |
| C13 | N5 | H26 | C8 | 180.0° | 180.0° |
| N5 | C13 | C14 | H27 | 120.4° | 120.0° |
| N5 | C13 | C14 | H28 | 120.4° | 120.0° |
| N5 | C13 | H27 | H28 | 118.7° | 120.1° |
| N5 | C13 | C14 | O3 | 0.5° | 0.0° |
| N5 | C13 | C14 | N6 | 179.3° | 180.0° |
| H26 | N5 | C13 | C14 | 100.9° | 0.0° |
| H26 | N5 | C13 | H27 | 19.5° | 120.0° |
| H26 | N5 | C13 | H28 | 138.7° | 120.0° |
| C14 | C13 | H27 | H28 | 118.7° | 119.9° |
| C13 | C14 | O3 | N6 | 178.7° | 180.0° |
| C13 | C14 | N6 | C15 | 179.8° | 180.0° |
| C13 | C14 | N6 | H29 | 0.3° | 0.1° |
| C14 | C13 | N5 | C8 | 79.1° | 180.0° |
| H27 | C13 | C14 | O3 | 120.9° | 120.0° |
| H27 | C13 | N5 | C8 | 160.5° | 60.1° |
| H27 | C13 | C14 | N6 | 60.3° | 60.0° |
| H28 | C13 | C14 | O3 | 119.9° | 120.0° |
| H28 | C13 | N5 | C8 | 41.3° | 60.0° |
| H28 | C13 | C14 | N6 | 58.9° | 60.0° |
| O3 | C14 | N6 | C15 | 1.0° | 0.1° |
| O3 | C14 | N6 | H29 | 179.0° | 179.9° |
| C15 | N6 | H29 | C14 | 180.0° | 179.9° |
| N6 | C15 | C16 | C17 | 127.4° | 120.0° |
| N6 | C15 | C16 | H30 | 116.7° | 120.0° |
| N6 | C15 | C17 | H30 | 119.1° | 120.0° |
| N6 | C15 | C16 | H31 | 180.0° | 60.0° |
| N6 | C15 | C16 | H32 | 60.0° | 60.0° |
| N6 | C15 | C16 | H33 | 60.0° | 180.0° |
| N6 | C15 | C17 | O4 | 134.8° | 0.0° |
| N6 | C15 | C17 | N7 | 41.0° | 179.9° |
| H29 | N6 | C15 | C16 | 2.7° | 94.9° |
| H29 | N6 | C15 | C17 | 122.3° | 25.1° |
| H29 | N6 | C15 | H30 | 119.0° | 145.1° |
| C16 | C15 | C17 | H30 | 115.8° | 120.0° |
| C15 | C16 | H31 | H32 | 120.0° | 120.0° |
| C15 | C16 | H31 | H33 | 120.0° | 120.0° |
| C15 | C16 | H32 | H33 | 120.0° | 120.0° |
| C16 | C15 | C17 | O4 | 100.1° | 120.0° |
| C16 | C15 | N6 | C14 | 177.4° | 84.9° |
| C16 | C15 | C17 | N7 | 84.1° | 60.0° |
| C17 | C15 | C16 | H31 | 52.6° | 60.0° |
| C17 | C15 | C16 | H32 | 67.4° | 180.0° |
| C17 | C15 | C16 | H33 | 172.6° | 60.0° |
| C15 | C17 | O4 | N7 | 175.4° | 180.0° |
| C15 | C17 | N7 | C18 | 179.6° | 180.0° |
| C15 | C17 | N7 | H34 | 0.3° | 0.1° |
| C17 | C15 | N6 | C14 | 57.7° | 155.0° |
| H30 | C15 | C16 | H31 | 63.2° | 180.0° |
| H30 | C15 | C16 | H32 | 176.7° | 60.0° |
| H30 | C15 | C16 | H33 | 56.7° | 60.0° |
| H30 | C15 | C17 | O4 | 15.7° | 120.0° |
| H30 | C15 | N6 | C14 | 61.0° | 35.0° |
| H30 | C15 | C17 | N7 | 160.1° | 60.0° |
| H31 | C16 | H32 | H33 | 119.9° | 120.0° |
| O4 | C17 | N7 | C18 | 4.7° | 0.1° |
| O4 | C17 | N7 | H34 | 175.3° | 180.0° |
| C18 | N7 | H34 | C17 | 180.0° | 179.9° |
| N7 | C18 | C19 | C20 | 126.4° | 120.1° |
| N7 | C18 | C19 | H35 | 118.3° | 119.9° |
| N7 | C18 | C20 | H35 | 114.9° | 119.9° |
| N7 | C18 | C19 | O5 | 163.4° | 83.4° |
| N7 | C18 | C20 | S1 | 63.7° | 19.5° |
| N7 | C18 | C20 | H36 | 176.0° | 139.5° |
| N7 | C18 | C20 | H37 | 56.5° | 100.4° |
| N7 | C18 | C19 | N8 | 12.0° | 96.6° |
| H34 | N7 | C18 | C19 | 110.1° | 95.0° |
| H34 | N7 | C18 | C20 | 17.6° | 25.1° |
| H34 | N7 | C18 | H35 | 132.1° | 145.1° |
| C19 | C18 | C20 | H35 | 115.3° | 120.0° |
| C18 | C19 | O5 | N8 | 175.0° | 180.0° |
| C19 | C18 | C20 | S1 | 166.5° | 139.6° |
| C19 | C18 | C20 | H36 | 46.2° | 100.4° |
| C19 | C18 | C20 | H37 | 73.2° | 19.7° |
| C18 | C19 | N8 | C21 | 179.8° | 179.7° |
| C18 | C19 | N8 | H38 | 0.2° | 0.2° |
| C19 | C18 | N7 | C17 | 69.9° | 84.9° |
| C20 | C18 | C19 | O5 | 70.2° | 36.7° |
| C18 | C20 | S1 | H36 | 120.3° | 120.0° |
| C18 | C20 | S1 | H37 | 120.3° | 120.0° |
| C18 | C20 | H36 | H37 | 119.1° | 120.1° |
| C20 | C18 | N7 | C17 | 162.4° | 155.0° |
| C18 | C20 | S1 | S2 | 69.4° | 179.2° |
| C20 | C18 | C19 | N8 | 114.4° | 143.3° |
| H35 | C18 | C19 | O5 | 45.2° | 156.7° |
| H35 | C18 | C20 | S1 | 51.2° | 100.4° |
| H35 | C18 | C20 | H36 | 69.1° | 19.6° |
| H35 | C18 | C20 | H37 | 171.4° | 139.7° |
| H35 | C18 | N7 | C17 | 47.9° | 35.0° |
| H35 | C18 | C19 | N8 | 130.2° | 23.3° |
| O5 | C19 | N8 | C21 | 4.6° | 0.3° |
| O5 | C19 | N8 | H38 | 175.4° | 179.8° |
| S1 | C20 | H36 | H37 | 119.1° | 119.9° |
| C20 | S1 | S2 | C74 | 100.1° | 73.9° |
| H36 | C20 | S1 | S2 | 50.9° | 59.2° |
| H37 | C20 | S1 | S2 | 170.3° | 60.8° |
| C21 | N8 | H38 | C19 | 180.0° | 179.9° |
| N8 | C21 | C22 | C23 | 123.6° | 119.8° |
| N8 | C21 | C22 | H39 | 119.2° | 119.9° |
| N8 | C21 | C23 | H39 | 117.5° | 120.3° |
| N8 | C21 | C22 | O6 | 168.9° | 52.6° |
| N8 | C21 | C23 | C24 | 76.6° | 173.8° |
| N8 | C21 | C23 | H40 | 162.9° | 66.1° |
| N8 | C21 | C23 | H41 | 44.0° | 53.9° |
| N8 | C21 | C22 | N9 | 9.9° | 127.4° |
| H38 | N8 | C21 | C22 | 70.2° | 16.6° |
| H38 | N8 | C21 | C23 | 54.2° | 103.2° |
| H38 | N8 | C21 | H39 | 171.1° | 136.4° |
| C22 | C21 | C23 | H39 | 117.2° | 120.3° |
| C21 | C22 | O6 | N9 | 178.7° | 180.0° |
| C22 | C21 | C23 | C24 | 158.1° | 66.8° |
| C22 | C21 | C23 | H40 | 37.6° | 53.2° |
| C22 | C21 | C23 | H41 | 81.4° | 173.3° |
| C21 | C22 | N9 | C26 | 179.5° | 178.8° |
| C21 | C22 | N9 | H45 | 0.5° | 1.1° |
| C22 | C21 | N8 | C19 | 109.8° | 163.3° |
| C23 | C21 | C22 | O6 | 67.5° | 67.2° |
| C21 | C23 | C24 | H40 | 120.5° | 120.1° |
| C21 | C23 | C24 | H41 | 120.5° | 119.9° |
| C21 | C23 | H40 | H41 | 118.3° | 120.0° |
| C21 | C23 | C24 | C25 | 143.8° | 175.0° |
| C21 | C23 | C24 | H42 | 23.2° | 54.9° |
| C21 | C23 | C24 | H43 | 95.7° | 65.0° |
| C23 | C21 | N8 | C19 | 125.8° | 76.9° |
| C23 | C21 | C22 | N9 | 113.7° | 112.8° |
| H39 | C21 | C22 | O6 | 49.7° | 172.4° |
| H39 | C21 | C23 | C24 | 40.9° | 53.5° |
| H39 | C21 | C23 | H40 | 79.6° | 173.6° |
| H39 | C21 | C23 | H41 | 161.4° | 66.4° |
| H39 | C21 | N8 | C19 | 8.9° | 43.4° |
| H39 | C21 | C22 | N9 | 129.1° | 7.5° |
| O6 | C22 | N9 | C26 | 0.8° | 1.2° |
| O6 | C22 | N9 | H45 | 179.2° | 178.8° |
| C24 | C23 | H40 | H41 | 118.4° | 119.9° |
| C23 | C24 | C25 | H42 | 120.6° | 120.0° |
| C23 | C24 | C25 | H43 | 120.6° | 120.0° |
| C23 | C24 | H42 | H43 | 118.2° | 120.0° |
| C23 | C24 | C25 | O7 | 69.1° | 0.0° |
| C23 | C24 | C25 | O8 | 112.3° | 180.0° |
| H40 | C23 | C24 | C25 | 95.7° | 65.0° |
| H40 | C23 | C24 | H42 | 143.7° | 175.0° |
| H40 | C23 | C24 | H43 | 24.9° | 55.1° |
| H41 | C23 | C24 | C25 | 23.2° | 55.0° |
| H41 | C23 | C24 | H42 | 97.4° | 65.0° |
| H41 | C23 | C24 | H43 | 143.8° | 175.1° |
| C25 | C24 | H42 | H43 | 118.2° | 120.0° |
| C24 | C25 | O7 | O8 | 178.6° | 180.0° |
| C24 | C25 | O8 | H44 | 178.6° | 180.0° |
| H42 | C24 | C25 | O7 | 51.5° | 120.0° |
| H42 | C24 | C25 | O8 | 127.1° | 60.0° |
| H43 | C24 | C25 | O7 | 170.3° | 120.0° |
| H43 | C24 | C25 | O8 | 8.3° | 60.0° |
| O7 | C25 | O8 | H44 | 0.0° | 0.0° |
| C26 | N9 | H45 | C22 | 180.0° | 180.0° |
| N9 | C26 | C27 | C28 | 120.6° | 119.8° |
| N9 | C26 | C27 | H46 | 119.5° | 119.8° |
| N9 | C26 | C28 | H46 | 120.5° | 120.2° |
| N9 | C26 | C27 | O9 | 58.9° | 1.7° |
| N9 | C26 | C28 | O10 | 56.6° | 53.0° |
| N9 | C26 | C28 | H47 | 176.8° | 67.0° |
| N9 | C26 | C28 | H48 | 63.6° | 173.0° |
| N9 | C26 | C27 | N10 | 120.5° | 178.2° |
| H45 | N9 | C26 | C27 | 86.2° | 32.1° |
| H45 | N9 | C26 | C28 | 35.0° | 152.0° |
| H45 | N9 | C26 | H46 | 155.0° | 87.8° |
| C27 | C26 | C28 | H46 | 119.9° | 120.3° |
| C26 | C27 | O9 | N10 | 179.3° | 179.9° |
| C27 | C26 | C28 | O10 | 176.2° | 66.5° |
| C27 | C26 | C28 | H47 | 63.6° | 173.5° |
| C27 | C26 | C28 | H48 | 56.0° | 53.5° |
| C26 | C27 | N10 | C29 | 179.7° | 179.7° |
| C26 | C27 | N10 | C32 | 2.4° | 0.3° |
| C27 | C26 | N9 | C22 | 93.7° | 147.9° |
| C28 | C26 | C27 | O9 | 61.7° | 118.1° |
| C26 | C28 | O10 | H47 | 120.2° | 120.0° |
| C26 | C28 | O10 | H48 | 120.2° | 120.0° |
| C26 | C28 | H47 | H48 | 119.3° | 120.0° |
| C26 | C28 | O10 | H49 | 74.1° | 180.0° |
| C28 | C26 | N9 | C22 | 145.0° | 28.1° |
| C28 | C26 | C27 | N10 | 118.9° | 62.0° |
| H46 | C26 | C27 | O9 | 178.3° | 121.6° |
| H46 | C26 | C28 | O10 | 63.9° | 173.2° |
| H46 | C26 | C28 | H47 | 56.3° | 53.2° |
| H46 | C26 | C28 | H48 | 175.9° | 66.8° |
| H46 | C26 | N9 | C22 | 25.1° | 92.2° |
| H46 | C26 | C27 | N10 | 1.0° | 58.4° |
| O9 | C27 | N10 | C29 | 0.3° | 0.4° |
| O9 | C27 | N10 | C32 | 176.9° | 179.6° |
| O10 | C28 | H47 | H48 | 119.3° | 120.0° |
| H47 | C28 | O10 | H49 | 165.7° | 60.0° |
| H48 | C28 | O10 | H49 | 46.1° | 60.0° |
| C29 | N10 | C32 | C27 | 177.5° | 180.0° |
| N10 | C29 | C30 | C33 | 129.4° | 119.5° |
| N10 | C29 | C30 | H50 | 113.6° | 119.7° |
| N10 | C29 | C33 | H50 | 122.5° | 121.1° |
| N10 | C29 | C30 | C31 | 23.8° | 11.3° |
| N10 | C29 | C30 | H51 | 95.4° | 107.8° |
| N10 | C29 | C30 | H52 | 142.9° | 130.5° |
| C29 | N10 | C32 | C31 | 26.8° | 18.6° |
| C29 | N10 | C32 | H55 | 145.6° | 100.9° |
| C29 | N10 | C32 | H56 | 92.1° | 138.1° |
| N10 | C29 | C33 | O11 | 147.8° | 32.6° |
| N10 | C29 | C33 | N11 | 31.1° | 147.4° |
| C32 | N10 | C29 | C30 | 1.8° | 18.8° |
| C32 | N10 | C29 | C33 | 126.6° | 100.6° |
| C32 | N10 | C29 | H50 | 111.3° | 138.3° |
| N10 | C32 | C31 | C30 | 40.6° | 11.0° |
| N10 | C32 | C31 | H55 | 118.8° | 119.5° |
| N10 | C32 | C31 | H56 | 118.8° | 119.5° |
| N10 | C32 | C31 | H53 | 159.5° | 108.2° |
| N10 | C32 | C31 | H54 | 78.1° | 130.2° |
| N10 | C32 | H55 | H56 | 123.3° | 120.9° |
| C30 | C29 | C33 | H50 | 117.1° | 120.7° |
| C29 | C30 | C31 | H51 | 119.1° | 119.1° |
| C29 | C30 | C31 | H52 | 119.2° | 119.2° |
| C29 | C30 | H51 | H52 | 122.5° | 121.8° |
| C29 | C30 | C31 | C32 | 40.3° | 0.2° |
| C29 | C30 | C31 | H53 | 159.2° | 119.4° |
| C29 | C30 | C31 | H54 | 78.5° | 119.0° |
| C30 | C29 | C33 | O11 | 91.7° | 85.6° |
| C30 | C29 | N10 | C27 | 179.4° | 161.2° |
| C30 | C29 | C33 | N11 | 89.3° | 94.4° |
| C33 | C29 | C30 | C31 | 105.6° | 108.2° |
| C33 | C29 | C30 | H51 | 135.3° | 132.7° |
| C33 | C29 | C30 | H52 | 13.6° | 11.0° |
| C29 | C33 | O11 | N11 | 178.9° | 180.0° |
| C29 | C33 | N11 | C34 | 180.0° | 178.3° |
| C29 | C33 | N11 | H57 | 0.0° | 1.7° |
| C33 | C29 | N10 | C27 | 55.8° | 79.4° |
| H50 | C29 | C30 | C31 | 137.4° | 131.0° |
| H50 | C29 | C30 | H51 | 18.2° | 11.9° |
| H50 | C29 | C30 | H52 | 103.5° | 109.8° |
| H50 | C29 | C33 | O11 | 25.3° | 153.7° |
| H50 | C29 | N10 | C27 | 66.3° | 41.7° |
| H50 | C29 | C33 | N11 | 153.6° | 26.4° |
| C31 | C30 | H51 | H52 | 122.5° | 121.7° |
| C30 | C31 | C32 | H53 | 118.8° | 119.2° |
| C30 | C31 | C32 | H54 | 118.8° | 119.2° |
| C30 | C31 | H53 | H54 | 123.4° | 121.7° |
| C30 | C31 | C32 | H55 | 159.5° | 108.5° |
| C30 | C31 | C32 | H56 | 78.2° | 130.5° |
| H51 | C30 | C31 | C32 | 78.8° | 118.9° |
| H51 | C30 | C31 | H53 | 40.0° | 0.3° |
| H51 | C30 | C31 | H54 | 162.4° | 121.9° |
| H52 | C30 | C31 | C32 | 159.5° | 119.4° |
| H52 | C30 | C31 | H53 | 81.7° | 121.4° |
| H52 | C30 | C31 | H54 | 40.7° | 0.2° |
| C32 | C31 | H53 | H54 | 123.4° | 121.6° |
| C31 | C32 | H55 | H56 | 123.3° | 120.9° |
| C31 | C32 | N10 | C27 | 155.7° | 161.4° |
| H53 | C31 | C32 | H55 | 81.7° | 132.2° |
| H53 | C31 | C32 | H56 | 40.6° | 11.3° |
| H54 | C31 | C32 | H55 | 40.7° | 10.6° |
| H54 | C31 | C32 | H56 | 163.0° | 110.3° |
| H55 | C32 | N10 | C27 | 36.9° | 79.1° |
| H56 | C32 | N10 | C27 | 85.5° | 41.9° |
| O11 | C33 | N11 | C34 | 1.1° | 1.7° |
| O11 | C33 | N11 | H57 | 178.9° | 178.3° |
| C34 | N11 | H57 | C33 | 180.0° | 180.0° |
| N11 | C34 | C35 | C36 | 124.6° | 119.9° |
| N11 | C34 | C35 | H58 | 119.3° | 119.9° |
| N11 | C34 | C36 | H58 | 117.6° | 120.1° |
| N11 | C34 | C35 | O12 | 179.3° | 4.0° |
| N11 | C34 | C36 | C37 | 65.0° | 53.1° |
| N11 | C34 | C36 | H59 | 174.0° | 66.9° |
| N11 | C34 | C36 | H60 | 55.9° | 173.1° |
| N11 | C34 | C35 | N12 | 1.0° | 176.0° |
| H57 | N11 | C34 | C35 | 90.3° | 30.7° |
| H57 | N11 | C34 | C36 | 33.8° | 150.6° |
| H57 | N11 | C34 | H58 | 150.8° | 89.3° |
| C35 | C34 | C36 | H58 | 116.2° | 120.1° |
| C34 | C35 | O12 | N12 | 178.2° | 179.9° |
| C35 | C34 | C36 | C37 | 168.7° | 66.7° |
| C35 | C34 | C36 | H59 | 47.8° | 173.3° |
| C35 | C34 | C36 | H60 | 70.3° | 53.3° |
| C34 | C35 | N12 | C39 | 178.7° | 179.8° |
| C34 | C35 | N12 | H64 | 1.3° | 0.3° |
| C35 | C34 | N11 | C33 | 89.7° | 149.4° |
| C36 | C34 | C35 | O12 | 56.1° | 123.9° |
| C34 | C36 | C37 | H59 | 120.9° | 120.0° |
| C34 | C36 | C37 | H60 | 121.0° | 120.0° |
| C34 | C36 | H59 | H60 | 117.0° | 120.0° |
| C34 | C36 | C37 | C38 | 76.7° | 175.1° |
| C34 | C36 | C37 | H61 | 162.5° | 55.2° |
| C34 | C36 | C37 | H62 | 44.1° | 64.9° |
| C36 | C34 | N11 | C33 | 146.2° | 29.4° |
| C36 | C34 | C35 | N12 | 125.6° | 56.0° |
| H58 | C34 | C35 | O12 | 60.0° | 115.9° |
| H58 | C34 | C36 | C37 | 52.6° | 173.2° |
| H58 | C34 | C36 | H59 | 68.4° | 53.2° |
| H58 | C34 | C36 | H60 | 173.5° | 66.8° |
| H58 | C34 | N11 | C33 | 29.2° | 90.7° |
| H58 | C34 | C35 | N12 | 118.3° | 64.1° |
| O12 | C35 | N12 | C39 | 3.0° | 0.2° |
| O12 | C35 | N12 | H64 | 176.9° | 179.8° |
| C37 | C36 | H59 | H60 | 117.0° | 120.0° |
| C36 | C37 | C38 | H61 | 120.8° | 120.0° |
| C36 | C37 | C38 | H62 | 120.8° | 120.0° |
| C36 | C37 | H61 | H62 | 117.6° | 120.0° |
| C36 | C37 | C38 | O13 | 1.1° | 0.0° |
| C36 | C37 | C38 | O14 | 178.9° | 180.0° |
| H59 | C36 | C37 | C38 | 44.2° | 64.8° |
| H59 | C36 | C37 | H61 | 76.5° | 175.2° |
| H59 | C36 | C37 | H62 | 165.0° | 55.2° |
| H60 | C36 | C37 | C38 | 162.3° | 55.2° |
| H60 | C36 | C37 | H61 | 41.5° | 64.8° |
| H60 | C36 | C37 | H62 | 76.9° | 175.2° |
| C38 | C37 | H61 | H62 | 117.5° | 120.0° |
| C37 | C38 | O13 | O14 | 180.0° | 180.0° |
| C37 | C38 | O14 | H63 | 180.0° | 180.0° |
| H61 | C37 | C38 | O13 | 119.7° | 120.0° |
| H61 | C37 | C38 | O14 | 60.4° | 60.0° |
| H62 | C37 | C38 | O13 | 121.9° | 120.0° |
| H62 | C37 | C38 | O14 | 58.1° | 60.0° |
| O13 | C38 | O14 | H63 | 0.0° | 0.0° |
| C39 | N12 | H64 | C35 | 180.0° | 180.0° |
| N12 | C39 | C40 | C49 | 127.3° | 119.0° |
| N12 | C39 | C40 | H65 | 116.9° | 120.3° |
| N12 | C39 | C49 | H65 | 119.9° | 119.8° |
| N12 | C39 | C40 | C41 | 66.3° | 65.0° |
| N12 | C39 | C40 | H66 | 172.9° | 175.0° |
| N12 | C39 | C40 | H67 | 54.5° | 55.1° |
| N12 | C39 | C49 | O15 | 163.6° | 17.4° |
| N12 | C39 | C49 | N14 | 19.9° | 162.6° |
| H64 | N12 | C39 | C40 | 65.8° | 90.4° |
| H64 | N12 | C39 | C49 | 58.4° | 29.3° |
| H64 | N12 | C39 | H65 | 177.8° | 149.3° |
| C40 | C39 | C49 | H65 | 115.8° | 120.5° |
| C39 | C40 | C41 | H66 | 120.8° | 119.9° |
| C39 | C40 | C41 | H67 | 120.8° | 120.0° |
| C39 | C40 | H66 | H67 | 117.4° | 119.9° |
| C39 | C40 | C41 | C42 | 98.4° | 95.0° |
| C39 | C40 | C41 | C48 | 84.9° | 84.7° |
| C40 | C39 | C49 | O15 | 39.3° | 102.3° |
| C40 | C39 | N12 | C35 | 114.2° | 89.6° |
| C40 | C39 | C49 | N14 | 144.2° | 77.7° |
| C49 | C39 | C40 | C41 | 166.4° | 176.0° |
| C49 | C39 | C40 | H66 | 45.6° | 56.0° |
| C49 | C39 | C40 | H67 | 72.8° | 64.0° |
| C39 | C49 | O15 | N14 | 176.3° | 180.0° |
| C39 | C49 | N14 | C50 | 179.3° | 179.2° |
| C39 | C49 | N14 | H74 | 0.7° | 0.9° |
| C49 | C39 | N12 | C35 | 121.6° | 150.7° |
| H65 | C39 | C40 | C41 | 50.6° | 55.3° |
| H65 | C39 | C40 | H66 | 70.2° | 64.7° |
| H65 | C39 | C40 | H67 | 171.4° | 175.4° |
| H65 | C39 | C49 | O15 | 76.5° | 137.2° |
| H65 | C39 | N12 | C35 | 2.2° | 30.8° |
| H65 | C39 | C49 | N14 | 100.0° | 42.8° |
| C41 | C40 | H66 | H67 | 117.5° | 120.1° |
| C40 | C41 | C42 | C48 | 177.2° | 179.8° |
| C40 | C41 | C42 | N13 | 176.5° | 180.0° |
| C40 | C41 | C42 | H68 | 3.5° | 0.1° |
| C40 | C41 | C48 | C43 | 176.6° | 179.8° |
| C40 | C41 | C48 | C47 | 2.8° | 0.7° |
| H66 | C40 | C41 | C42 | 140.7° | 145.0° |
| H66 | C40 | C41 | C48 | 35.9° | 35.2° |
| H67 | C40 | C41 | C42 | 22.4° | 24.9° |
| H67 | C40 | C41 | C48 | 154.3° | 155.3° |
| C41 | C42 | N13 | H68 | 180.0° | 179.9° |
| C41 | C42 | N13 | C43 | 0.5° | 0.1° |
| C41 | C42 | N13 | H69 | 179.6° | 179.9° |
| C42 | C41 | C48 | C43 | 0.7° | 0.4° |
| C42 | C41 | C48 | C47 | 179.9° | 179.5° |
| C48 | C41 | C42 | N13 | 0.7° | 0.2° |
| C48 | C41 | C42 | H68 | 179.3° | 179.7° |
| C41 | C48 | C43 | N13 | 0.4° | 0.4° |
| C41 | C48 | C43 | C44 | 179.8° | 179.9° |
| C41 | C48 | C43 | C47 | 179.5° | 179.3° |
| C41 | C48 | C47 | C46 | 179.6° | 179.6° |
| C41 | C48 | C47 | H73 | 0.3° | 0.7° |
| C42 | N13 | C43 | H69 | 180.0° | 180.0° |
| C42 | N13 | C43 | C44 | 179.7° | 180.0° |
| C42 | N13 | C43 | C48 | 0.0° | 0.3° |
| H68 | C42 | N13 | C43 | 179.5° | 180.0° |
| H68 | C42 | N13 | H69 | 0.4° | 0.0° |
| N13 | C43 | C44 | C48 | 179.7° | 179.6° |
| N13 | C43 | C44 | C45 | 180.0° | 179.9° |
| N13 | C43 | C44 | H70 | 0.0° | 0.1° |
| N13 | C43 | C48 | C47 | 179.9° | 179.7° |
| H69 | N13 | C43 | C44 | 0.2° | 0.0° |
| H69 | N13 | C43 | C48 | 180.0° | 179.7° |
| C43 | C44 | C45 | H70 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 0.2° | 0.0° |
| C43 | C44 | C45 | H71 | 179.8° | 179.9° |
| C44 | C43 | C48 | C47 | 0.3° | 0.6° |
| C48 | C43 | C44 | C45 | 0.3° | 0.3° |
| C48 | C43 | C44 | H70 | 179.7° | 179.7° |
| C43 | C48 | C47 | C46 | 0.3° | 0.6° |
| C43 | C48 | C47 | H73 | 179.7° | 179.7° |
| C44 | C45 | C46 | H71 | 180.0° | 179.9° |
| C44 | C45 | C46 | C47 | 0.2° | 0.0° |
| C44 | C45 | C46 | H72 | 179.8° | 180.0° |
| H70 | C44 | C45 | C46 | 179.8° | 179.9° |
| H70 | C44 | C45 | H71 | 0.2° | 0.1° |
| C45 | C46 | C47 | H72 | 180.0° | 179.9° |
| C45 | C46 | C47 | C48 | 0.2° | 0.3° |
| C45 | C46 | C47 | H73 | 179.8° | 180.0° |
| H71 | C45 | C46 | C47 | 179.8° | 179.9° |
| H71 | C45 | C46 | H72 | 0.2° | 0.1° |
| C46 | C47 | C48 | H73 | 180.0° | 179.7° |
| H72 | C46 | C47 | C48 | 179.8° | 179.7° |
| H72 | C46 | C47 | H73 | 0.2° | 0.1° |
| O15 | C49 | N14 | C50 | 4.3° | 0.8° |
| O15 | C49 | N14 | H74 | 175.7° | 179.2° |
| C50 | N14 | H74 | C49 | 180.0° | 180.0° |
| N14 | C50 | C51 | C52 | 125.8° | 119.8° |
| N14 | C50 | C51 | H75 | 118.6° | 119.8° |
| N14 | C50 | C52 | H75 | 116.2° | 120.3° |
| N14 | C50 | C51 | O16 | 151.3° | 31.1° |
| N14 | C50 | C52 | C53 | 63.9° | 54.9° |
| N14 | C50 | C52 | H76 | 175.4° | 65.2° |
| N14 | C50 | C52 | H77 | 56.8° | 174.9° |
| N14 | C50 | C51 | N16 | 25.2° | 148.9° |
| H74 | N14 | C50 | C51 | 115.2° | 38.0° |
| H74 | N14 | C50 | C52 | 10.9° | 157.8° |
| H74 | N14 | C50 | H75 | 126.6° | 81.8° |
| C51 | C50 | C52 | H75 | 115.6° | 120.4° |
| C50 | C51 | O16 | N16 | 176.2° | 180.0° |
| C51 | C50 | C52 | C53 | 167.8° | 64.4° |
| C51 | C50 | C52 | H76 | 47.1° | 175.5° |
| C51 | C50 | C52 | H77 | 71.4° | 55.6° |
| C50 | C51 | N16 | C55 | 178.6° | 179.9° |
| C50 | C51 | N16 | H82 | 1.4° | 0.2° |
| C51 | C50 | N14 | C49 | 64.8° | 142.0° |
| C52 | C50 | C51 | O16 | 82.9° | 150.9° |
| C50 | C52 | C53 | H76 | 120.7° | 120.0° |
| C50 | C52 | C53 | H77 | 120.7° | 120.0° |
| C50 | C52 | H76 | H77 | 117.7° | 119.9° |
| C50 | C52 | C53 | C54 | 65.1° | 175.4° |
| C50 | C52 | C53 | H78 | 174.3° | 55.4° |
| C50 | C52 | C53 | H79 | 55.5° | 64.6° |
| C52 | C50 | N14 | C49 | 169.2° | 22.2° |
| C52 | C50 | C51 | N16 | 100.6° | 29.2° |
| H75 | C50 | C51 | O16 | 32.7° | 88.7° |
| H75 | C50 | C52 | C53 | 52.3° | 175.2° |
| H75 | C50 | C52 | H76 | 68.5° | 55.1° |
| H75 | C50 | C52 | H77 | 173.0° | 64.8° |
| H75 | C50 | N14 | C49 | 53.4° | 98.2° |
| H75 | C50 | C51 | N16 | 143.8° | 91.3° |
| O16 | C51 | N16 | C55 | 2.3° | 0.1° |
| O16 | C51 | N16 | H82 | 177.7° | 179.9° |
| C53 | C52 | H76 | H77 | 117.7° | 120.0° |
| C52 | C53 | C54 | H78 | 120.6° | 120.0° |
| C52 | C53 | C54 | H79 | 120.6° | 120.0° |
| C52 | C53 | H78 | H79 | 118.2° | 120.0° |
| C52 | C53 | C54 | O17 | 67.2° | 0.0° |
| C52 | C53 | C54 | N15 | 113.0° | 180.0° |
| H76 | C52 | C53 | C54 | 55.6° | 64.6° |
| H76 | C52 | C53 | H78 | 65.0° | 175.4° |
| H76 | C52 | C53 | H79 | 176.2° | 55.4° |
| H77 | C52 | C53 | C54 | 174.2° | 55.4° |
| H77 | C52 | C53 | H78 | 53.6° | 64.6° |
| H77 | C52 | C53 | H79 | 65.3° | 175.4° |
| C54 | C53 | H78 | H79 | 118.2° | 120.0° |
| C53 | C54 | O17 | N15 | 179.8° | 179.9° |
| C53 | C54 | N15 | H80 | 179.8° | 0.0° |
| C53 | C54 | N15 | H81 | 0.2° | 180.0° |
| H78 | C53 | C54 | O17 | 53.3° | 120.0° |
| H78 | C53 | C54 | N15 | 126.5° | 60.0° |
| H79 | C53 | C54 | O17 | 172.2° | 120.0° |
| H79 | C53 | C54 | N15 | 7.6° | 60.0° |
| O17 | C54 | N15 | H80 | 0.0° | 180.0° |
| O17 | C54 | N15 | H81 | 180.0° | 0.0° |
| C54 | N15 | H80 | H81 | 180.0° | 180.0° |
| C55 | N16 | H82 | C51 | 180.0° | 179.9° |
| N16 | C55 | C56 | C65 | 123.1° | 119.4° |
| N16 | C55 | C56 | H83 | 118.7° | 120.2° |
| N16 | C55 | C65 | H83 | 118.9° | 119.8° |
| N16 | C55 | C56 | C57 | 59.6° | 65.0° |
| N16 | C55 | C56 | H84 | 61.1° | 175.0° |
| N16 | C55 | C56 | H85 | 179.7° | 55.0° |
| N16 | C55 | C65 | O18 | 149.3° | 30.4° |
| N16 | C55 | C65 | N18 | 32.8° | 149.7° |
| H82 | N16 | C55 | C56 | 15.3° | 89.4° |
| H82 | N16 | C55 | C65 | 108.3° | 30.4° |
| H82 | N16 | C55 | H83 | 133.4° | 150.3° |
| C56 | C55 | C65 | H83 | 118.1° | 120.3° |
| C55 | C56 | C57 | H84 | 120.7° | 120.0° |
| C55 | C56 | C57 | H85 | 120.7° | 120.0° |
| C55 | C56 | H84 | H85 | 117.7° | 120.0° |
| C55 | C56 | C57 | C58 | 85.9° | 95.0° |
| C55 | C56 | C57 | C64 | 87.3° | 84.7° |
| C56 | C55 | C65 | O18 | 87.7° | 89.4° |
| C56 | C55 | N16 | C51 | 164.7° | 90.6° |
| C56 | C55 | C65 | N18 | 90.2° | 90.5° |
| C65 | C55 | C56 | C57 | 63.5° | 175.6° |
| C65 | C55 | C56 | H84 | 175.7° | 55.6° |
| C65 | C55 | C56 | H85 | 57.2° | 64.4° |
| C55 | C65 | O18 | N18 | 177.7° | 179.9° |
| C55 | C65 | N18 | C66 | 179.5° | 179.5° |
| C55 | C65 | N18 | H92 | 0.5° | 0.5° |
| C65 | C55 | N16 | C51 | 71.7° | 149.5° |
| H83 | C55 | C56 | C57 | 178.3° | 55.2° |
| H83 | C55 | C56 | H84 | 57.6° | 64.8° |
| H83 | C55 | C56 | H85 | 61.0° | 175.2° |
| H83 | C55 | C65 | O18 | 30.4° | 150.2° |
| H83 | C55 | N16 | C51 | 46.6° | 29.6° |
| H83 | C55 | C65 | N18 | 151.7° | 29.8° |
| C57 | C56 | H84 | H85 | 117.7° | 119.9° |
| C56 | C57 | C58 | C64 | 174.4° | 179.7° |
| C56 | C57 | C58 | N17 | 173.2° | 179.9° |
| C56 | C57 | C58 | H86 | 6.8° | 0.0° |
| C56 | C57 | C64 | C59 | 173.3° | 179.9° |
| C56 | C57 | C64 | C63 | 6.0° | 0.8° |
| H84 | C56 | C57 | C58 | 34.8° | 145.0° |
| H84 | C56 | C57 | C64 | 152.0° | 35.4° |
| H85 | C56 | C57 | C58 | 153.3° | 25.1° |
| H85 | C56 | C57 | C64 | 33.4° | 155.3° |
| C57 | C58 | N17 | H86 | 180.0° | 180.0° |
| C57 | C58 | N17 | C59 | 0.8° | 0.0° |
| C57 | C58 | N17 | H87 | 179.2° | 180.0° |
| C58 | C57 | C64 | C59 | 1.1° | 0.4° |
| C58 | C57 | C64 | C63 | 179.6° | 179.5° |
| C64 | C57 | C58 | N17 | 1.1° | 0.2° |
| C64 | C57 | C58 | H86 | 178.8° | 179.7° |
| C57 | C64 | C59 | N17 | 0.6° | 0.4° |
| C57 | C64 | C59 | C60 | 178.9° | 179.8° |
| C57 | C64 | C59 | C63 | 179.4° | 179.2° |
| C57 | C64 | C63 | C62 | 178.6° | 179.6° |
| C57 | C64 | C63 | H91 | 1.4° | 0.7° |
| C58 | N17 | C59 | H87 | 180.0° | 180.0° |
| C58 | N17 | C59 | C60 | 179.6° | 180.0° |
| C58 | N17 | C59 | C64 | 0.1° | 0.3° |
| H86 | C58 | N17 | C59 | 179.2° | 180.0° |
| H86 | C58 | N17 | H87 | 0.8° | 0.0° |
| N17 | C59 | C60 | C64 | 179.4° | 179.7° |
| N17 | C59 | C60 | C61 | 179.6° | 179.9° |
| N17 | C59 | C60 | H88 | 0.5° | 0.0° |
| N17 | C59 | C64 | C63 | 180.0° | 179.6° |
| H87 | N17 | C59 | C60 | 0.4° | 0.0° |
| H87 | N17 | C59 | C64 | 179.9° | 179.7° |
| C59 | C60 | C61 | H88 | 180.0° | 180.0° |
| C59 | C60 | C61 | C62 | 0.1° | 0.1° |
| C59 | C60 | C61 | H89 | 179.9° | 180.0° |
| C60 | C59 | C64 | C63 | 0.5° | 0.6° |
| C64 | C59 | C60 | C61 | 0.1° | 0.3° |
| C64 | C59 | C60 | H88 | 179.9° | 179.7° |
| C59 | C64 | C63 | C62 | 0.6° | 0.6° |
| C59 | C64 | C63 | H91 | 179.4° | 179.7° |
| C60 | C61 | C62 | H89 | 180.0° | 179.9° |
| C60 | C61 | C62 | C63 | 0.0° | 0.0° |
| C60 | C61 | C62 | H90 | 180.0° | 180.0° |
| H88 | C60 | C61 | C62 | 179.8° | 180.0° |
| H88 | C60 | C61 | H89 | 0.2° | 0.1° |
| C61 | C62 | C63 | H90 | 180.0° | 180.0° |
| C61 | C62 | C63 | C64 | 0.4° | 0.3° |
| C61 | C62 | C63 | H91 | 179.6° | 180.0° |
| H89 | C61 | C62 | C63 | 180.0° | 179.9° |
| H89 | C61 | C62 | H90 | 0.0° | 0.1° |
| C62 | C63 | C64 | H91 | 180.0° | 179.7° |
| H90 | C62 | C63 | C64 | 179.6° | 179.6° |
| H90 | C62 | C63 | H91 | 0.4° | 0.0° |
| O18 | C65 | N18 | C66 | 2.6° | 0.4° |
| O18 | C65 | N18 | H92 | 177.3° | 179.6° |
| C66 | N18 | H92 | C65 | 180.0° | 180.0° |
| N18 | C66 | C67 | C71 | 120.2° | 119.4° |
| N18 | C66 | C67 | H93 | 121.0° | 120.2° |
| N18 | C66 | C71 | H93 | 119.4° | 119.8° |
| N18 | C66 | C67 | C68 | 136.0° | 66.5° |
| N18 | C66 | C67 | H94 | 102.4° | 53.6° |
| N18 | C66 | C67 | H95 | 14.3° | 173.6° |
| N18 | C66 | C71 | O19 | 136.0° | 16.3° |
| N18 | C66 | C71 | N19 | 41.9° | 163.7° |
| H92 | N18 | C66 | C67 | 14.0° | 153.8° |
| H92 | N18 | C66 | C71 | 106.5° | 34.0° |
| H92 | N18 | C66 | H93 | 134.4° | 86.0° |
| C67 | C66 | C71 | H93 | 118.6° | 120.3° |
| C66 | C67 | C68 | H94 | 121.7° | 120.0° |
| C66 | C67 | C68 | H95 | 121.7° | 120.0° |
| C66 | C67 | H94 | H95 | 114.6° | 120.0° |
| C66 | C67 | C68 | C69 | 29.0° | 65.7° |
| C66 | C67 | C68 | C70 | 154.2° | 174.3° |
| C66 | C67 | C68 | H96 | 90.0° | 54.3° |
| C67 | C66 | C71 | O19 | 102.1° | 136.1° |
| C67 | C66 | N18 | C65 | 166.0° | 26.2° |
| C67 | C66 | C71 | N19 | 80.1° | 43.9° |
| C71 | C66 | C67 | C68 | 103.8° | 53.0° |
| C71 | C66 | C67 | H94 | 17.9° | 173.0° |
| C71 | C66 | C67 | H95 | 134.5° | 67.0° |
| C66 | C71 | O19 | N19 | 177.7° | 180.0° |
| C66 | C71 | N19 | C72 | 178.2° | 179.8° |
| C66 | C71 | N19 | H103 | 1.8° | 0.2° |
| C71 | C66 | N18 | C65 | 73.5° | 146.1° |
| H93 | C66 | C67 | C68 | 15.0° | 173.3° |
| H93 | C66 | C67 | H94 | 136.7° | 66.7° |
| H93 | C66 | C67 | H95 | 106.7° | 53.3° |
| H93 | C66 | C71 | O19 | 16.6° | 103.6° |
| H93 | C66 | N18 | C65 | 45.6° | 94.0° |
| H93 | C66 | C71 | N19 | 161.3° | 76.5° |
| C68 | C67 | H94 | H95 | 114.6° | 120.0° |
| C67 | C68 | C69 | C70 | 123.7° | 119.9° |
| C67 | C68 | C69 | H96 | 118.8° | 120.0° |
| C67 | C68 | C70 | H96 | 115.5° | 120.0° |
| C67 | C68 | C69 | H97 | 180.0° | 179.4° |
| C67 | C68 | C69 | H98 | 60.0° | 59.4° |
| C67 | C68 | C69 | H99 | 60.0° | 60.6° |
| C67 | C68 | C70 | H100 | 180.0° | 60.0° |
| C67 | C68 | C70 | H101 | 60.0° | 180.0° |
| C67 | C68 | C70 | H102 | 60.0° | 60.0° |
| H94 | C67 | C68 | C69 | 92.7° | 54.3° |
| H94 | C67 | C68 | C70 | 32.6° | 65.7° |
| H94 | C67 | C68 | H96 | 148.3° | 174.3° |
| H95 | C67 | C68 | C69 | 150.6° | 174.3° |
| H95 | C67 | C68 | C70 | 84.1° | 54.4° |
| H95 | C67 | C68 | H96 | 31.7° | 65.6° |
| C69 | C68 | C70 | H96 | 117.5° | 120.0° |
| C68 | C69 | H97 | H98 | 120.0° | 120.0° |
| C68 | C69 | H97 | H99 | 120.0° | 120.0° |
| C68 | C69 | H98 | H99 | 120.0° | 120.0° |
| C69 | C68 | C70 | H100 | 53.0° | 179.9° |
| C69 | C68 | C70 | H101 | 67.1° | 60.0° |
| C69 | C68 | C70 | H102 | 173.0° | 60.0° |
| C70 | C68 | C69 | H97 | 56.3° | 60.7° |
| C70 | C68 | C69 | H98 | 176.3° | 179.3° |
| C70 | C68 | C69 | H99 | 63.7° | 59.3° |
| C68 | C70 | H100 | H101 | 120.0° | 120.1° |
| C68 | C70 | H100 | H102 | 120.0° | 120.0° |
| C68 | C70 | H101 | H102 | 120.0° | 120.1° |
| H96 | C68 | C69 | H97 | 61.2° | 59.3° |
| H96 | C68 | C69 | H98 | 58.8° | 60.7° |
| H96 | C68 | C69 | H99 | 178.8° | 179.4° |
| H96 | C68 | C70 | H100 | 64.5° | 60.1° |
| H96 | C68 | C70 | H101 | 175.4° | 60.0° |
| H96 | C68 | C70 | H102 | 55.4° | 180.0° |
| H97 | C69 | H98 | H99 | 120.0° | 120.0° |
| H100 | C70 | H101 | H102 | 120.0° | 119.9° |
| O19 | C71 | N19 | C72 | 0.4° | 0.2° |
| O19 | C71 | N19 | H103 | 179.6° | 179.8° |
| C72 | N19 | H103 | C71 | 180.0° | 180.0° |
| N19 | C72 | C73 | C74 | 120.3° | 119.2° |
| N19 | C72 | C73 | H104 | 120.2° | 120.3° |
| N19 | C72 | C74 | H104 | 120.2° | 119.8° |
| N19 | C72 | C73 | O20 | 141.5° | 94.3° |
| N19 | C72 | C74 | S2 | 177.8° | 174.8° |
| N19 | C72 | C74 | H105 | 57.0° | 65.2° |
| N19 | C72 | C74 | H106 | 61.5° | 54.8° |
| N19 | C72 | C73 | N20 | 34.9° | 85.6° |
| H103 | N19 | C72 | C73 | 118.0° | 177.2° |
| H103 | N19 | C72 | C74 | 2.7° | 63.1° |
| H103 | N19 | C72 | H104 | 122.4° | 56.8° |
| C73 | C72 | C74 | H104 | 119.3° | 120.4° |
| C72 | C73 | O20 | N20 | 176.1° | 179.9° |
| C73 | C72 | C74 | S2 | 57.3° | 65.4° |
| C73 | C72 | C74 | H105 | 63.4° | 54.6° |
| C73 | C72 | C74 | H106 | 178.0° | 174.5° |
| C72 | C73 | N20 | C75 | 179.1° | 180.0° |
| C72 | C73 | N20 | H107 | 0.9° | 0.1° |
| C73 | C72 | N19 | C71 | 61.9° | 2.8° |
| C74 | C72 | C73 | O20 | 98.2° | 24.9° |
| C72 | C74 | S2 | H105 | 120.7° | 120.0° |
| C72 | C74 | S2 | H106 | 120.7° | 120.0° |
| C72 | C74 | H105 | H106 | 117.7° | 119.9° |
| C72 | C74 | S2 | S1 | 87.9° | 172.1° |
| C74 | C72 | N19 | C71 | 177.3° | 116.9° |
| C74 | C72 | C73 | N20 | 85.4° | 155.2° |
| H104 | C72 | C73 | O20 | 21.3° | 145.4° |
| H104 | C72 | C74 | S2 | 62.0° | 55.0° |
| H104 | C72 | C74 | H105 | 177.2° | 175.0° |
| H104 | C72 | C74 | H106 | 58.7° | 65.1° |
| H104 | C72 | N19 | C71 | 57.6° | 123.2° |
| H104 | C72 | C73 | N20 | 155.1° | 34.7° |
| O20 | C73 | N20 | C75 | 2.8° | 0.1° |
| O20 | C73 | N20 | H107 | 177.2° | 179.9° |
| S2 | C74 | H105 | H106 | 117.7° | 120.0° |
| H105 | C74 | S2 | S1 | 151.3° | 67.9° |
| H106 | C74 | S2 | S1 | 32.8° | 52.1° |
| C75 | N20 | H107 | C73 | 180.0° | 179.9° |
| N20 | C75 | C76 | C77 | 124.2° | 120.0° |
| N20 | C75 | C76 | H108 | 118.4° | 120.0° |
| N20 | C75 | C77 | H108 | 119.9° | 120.1° |
| N20 | C75 | C76 | H109 | 180.0° | 60.0° |
| N20 | C75 | C76 | H110 | 60.0° | 59.9° |
| N20 | C75 | C76 | H111 | 60.0° | 180.0° |
| N20 | C75 | C77 | O21 | 143.9° | 0.1° |
| N20 | C75 | C77 | N21 | 34.9° | 180.0° |
| H107 | N20 | C75 | C76 | 16.0° | 95.1° |
| H107 | N20 | C75 | C77 | 106.6° | 24.9° |
| H107 | N20 | C75 | H108 | 134.0° | 145.0° |
| C76 | C75 | C77 | H108 | 117.5° | 119.9° |
| C75 | C76 | H109 | H110 | 120.0° | 120.0° |
| C75 | C76 | H109 | H111 | 120.0° | 120.1° |
| C75 | C76 | H110 | H111 | 120.0° | 120.0° |
| C76 | C75 | C77 | O21 | 93.5° | 120.1° |
| C76 | C75 | N20 | C73 | 164.1° | 85.1° |
| C76 | C75 | C77 | N21 | 87.7° | 60.0° |
| C77 | C75 | C76 | H109 | 55.8° | 60.0° |
| C77 | C75 | C76 | H110 | 64.2° | 179.9° |
| C77 | C75 | C76 | H111 | 175.8° | 60.0° |
| C75 | C77 | O21 | N21 | 178.7° | 179.9° |
| C75 | C77 | N21 | C78 | 179.4° | 180.0° |
| C75 | C77 | N21 | H112 | 0.6° | 0.1° |
| C77 | C75 | N20 | C73 | 73.4° | 155.0° |
| H108 | C75 | C76 | H109 | 61.6° | 180.0° |
| H108 | C75 | C76 | H110 | 178.5° | 60.1° |
| H108 | C75 | C76 | H111 | 58.4° | 60.0° |
| H108 | C75 | C77 | O21 | 24.0° | 120.0° |
| H108 | C75 | N20 | C73 | 46.0° | 34.9° |
| H108 | C75 | C77 | N21 | 154.8° | 59.9° |
| H109 | C76 | H110 | H111 | 120.0° | 120.0° |
| O21 | C77 | N21 | C78 | 1.9° | 0.1° |
| O21 | C77 | N21 | H112 | 178.1° | 180.0° |
| C78 | N21 | H112 | C77 | 180.0° | 180.0° |
| N21 | C78 | C79 | C80 | 124.1° | 120.0° |
| N21 | C78 | C79 | H113 | 118.3° | 120.0° |
| N21 | C78 | C80 | H113 | 119.5° | 120.0° |
| N21 | C78 | C79 | H114 | 180.0° | 60.0° |
| N21 | C78 | C79 | H115 | 60.0° | 180.0° |
| N21 | C78 | C79 | H116 | 60.0° | 60.0° |
| N21 | C78 | C80 | O22 | 155.4° | 0.0° |
| N21 | C78 | C80 | N22 | 23.6° | 180.0° |
| H112 | N21 | C78 | C79 | 16.2° | 95.0° |
| H112 | N21 | C78 | C80 | 106.9° | 25.0° |
| H112 | N21 | C78 | H113 | 134.1° | 145.0° |
| C79 | C78 | C80 | H113 | 117.7° | 120.0° |
| C78 | C79 | H114 | H115 | 120.0° | 120.0° |
| C78 | C79 | H114 | H116 | 120.0° | 120.1° |
| C78 | C79 | H115 | H116 | 120.0° | 120.1° |
| C79 | C78 | C80 | O22 | 81.8° | 120.0° |
| C79 | C78 | N21 | C77 | 163.8° | 85.0° |
| C79 | C78 | C80 | N22 | 99.3° | 60.0° |
| C80 | C78 | C79 | H114 | 55.9° | 180.0° |
| C80 | C78 | C79 | H115 | 64.1° | 60.0° |
| C80 | C78 | C79 | H116 | 175.9° | 60.0° |
| C78 | C80 | O22 | N22 | 178.9° | 180.0° |
| C78 | C80 | N22 | H117 | 178.9° | 0.1° |
| C78 | C80 | N22 | H118 | 1.1° | 180.0° |
| C80 | C78 | N21 | C77 | 73.1° | 155.0° |
| H113 | C78 | C79 | H114 | 61.7° | 60.0° |
| H113 | C78 | C79 | H115 | 178.3° | 60.0° |
| H113 | C78 | C79 | H116 | 58.3° | 180.0° |
| H113 | C78 | C80 | O22 | 35.9° | 120.0° |
| H113 | C78 | N21 | C77 | 45.9° | 35.0° |
| H113 | C78 | C80 | N22 | 143.0° | 59.9° |
| H114 | C79 | H115 | H116 | 120.0° | 120.0° |
| O22 | C80 | N22 | H117 | 0.0° | 180.0° |
| O22 | C80 | N22 | H118 | 180.0° | 0.1° |
| H117 | N22 | H118 | C80 | 180.0° | 179.9° |
