PRD_002557
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.47Å | 1.45Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.22Å | |
| N2 | C5 | sing | 1.46Å | 1.46Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.50Å | 1.59Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | O3 | doub | 1.21Å | 1.18Å | |
| N3 | C7 | sing | 1.48Å | 1.46Å | |
| N3 | H9 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.50Å | 1.51Å | |
| C7 | C9 | sing | 1.53Å | 1.54Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | O4 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | N4 | sing | 1.46Å | 1.47Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| N4 | C12 | sing | 1.37Å | 1.33Å | |
| N4 | H17 | sing | 0.97Å | 1.00Å | |
| C12 | N5 | sing | 1.33Å | 1.33Å | |
| C12 | N6 | doub | 1.33Å | 1.33Å | |
| N5 | H18 | sing | 0.97Å | 1.00Å | |
| N5 | H19 | sing | 0.97Å | 1.00Å | |
| N6 | H20 | sing | 0.97Å | 1.00Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å | |
| N7 | C13 | sing | 1.47Å | 1.45Å | |
| N7 | H22 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | O5 | doub | 1.21Å | 1.25Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | C18 | sing | 1.53Å | 1.52Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| N8 | C19 | sing | 1.48Å | 1.47Å | |
| N8 | H33 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.55Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | O6 | doub | 1.21Å | 1.24Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | H37 | sing | 1.08Å | 1.08Å | |
| C24 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | H38 | sing | 1.08Å | 1.08Å | |
| C25 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | H39 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | H40 | sing | 1.08Å | 1.08Å | |
| C27 | O7 | sing | 1.36Å | 1.38Å | |
| O7 | H41 | sing | 0.97Å | 0.95Å | |
| N9 | C28 | sing | 1.48Å | 1.46Å | |
| N9 | H42 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | O8 | doub | 1.21Å | 1.23Å | |
| N10 | C30 | sing | 1.48Å | 1.45Å | |
| N10 | H45 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.51Å | 1.53Å | |
| C30 | C32 | sing | 1.53Å | 1.55Å | |
| C30 | H46 | sing | 1.09Å | 1.10Å | |
| C31 | O9 | doub | 1.21Å | 1.22Å | |
| C32 | C33 | sing | 1.51Å | 1.51Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å | |
| C32 | H48 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C36 | sing | 1.38Å | 1.41Å | Aromatic |
| C34 | H49 | sing | 1.08Å | 1.08Å | |
| C35 | C37 | doub | 1.38Å | 1.41Å | Aromatic |
| C35 | H50 | sing | 1.08Å | 1.08Å | |
| C36 | C38 | doub | 1.38Å | 1.37Å | Aromatic |
| C36 | H51 | sing | 1.08Å | 1.08Å | |
| C37 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | H52 | sing | 1.08Å | 1.08Å | |
| C38 | H53 | sing | 1.08Å | 1.08Å | |
| N11 | C39 | sing | 1.48Å | 1.46Å | |
| N11 | H54 | sing | 0.97Å | 1.00Å | |
| C39 | C40 | sing | 1.50Å | 1.54Å | |
| C39 | C41 | sing | 1.53Å | 1.53Å | |
| C39 | H55 | sing | 1.09Å | 1.10Å | |
| C40 | O10 | doub | 1.21Å | 1.26Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C41 | H56 | sing | 1.09Å | 1.10Å | |
| C41 | H57 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C42 | H58 | sing | 1.09Å | 1.10Å | |
| C42 | H59 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C43 | H60 | sing | 1.09Å | 1.10Å | |
| C43 | H61 | sing | 1.09Å | 1.10Å | |
| C44 | N12 | sing | 1.47Å | 1.49Å | |
| C44 | H62 | sing | 1.09Å | 1.10Å | |
| C44 | H63 | sing | 1.09Å | 1.10Å | |
| N12 | H64 | sing | 1.01Å | 1.00Å | |
| N12 | H65 | sing | 1.01Å | 1.00Å | |
| N12 | H66 | sing | 1.01Å | 1.00Å | |
| N13 | C45 | sing | 1.48Å | 1.46Å | |
| N13 | H67 | sing | 0.97Å | 1.00Å | |
| C45 | C46 | sing | 1.50Å | 1.53Å | |
| C45 | C47 | sing | 1.53Å | 1.51Å | |
| C45 | H68 | sing | 1.09Å | 1.10Å | |
| C46 | O11 | doub | 1.21Å | 1.23Å | |
| C47 | C48 | sing | 1.51Å | 1.50Å | |
| C47 | H69 | sing | 1.09Å | 1.10Å | |
| C47 | H70 | sing | 1.09Å | 1.10Å | |
| C48 | C49 | doub | 1.34Å | 1.36Å | Aromatic |
| C48 | C50 | sing | 1.47Å | 1.43Å | Aromatic |
| C49 | N14 | sing | 1.37Å | 1.37Å | Aromatic |
| C49 | H71 | sing | 1.08Å | 1.08Å | |
| C50 | C51 | doub | 1.41Å | 1.41Å | Aromatic |
| C50 | C52 | sing | 1.40Å | 1.41Å | Aromatic |
| N14 | C51 | sing | 1.38Å | 1.37Å | Aromatic |
| N14 | H72 | sing | 0.97Å | 1.00Å | |
| C51 | C53 | sing | 1.39Å | 1.40Å | Aromatic |
| C52 | C54 | doub | 1.37Å | 1.38Å | Aromatic |
| C52 | H73 | sing | 1.08Å | 1.08Å | |
| C53 | C55 | doub | 1.38Å | 1.38Å | Aromatic |
| C53 | H74 | sing | 1.08Å | 1.08Å | |
| C54 | C55 | sing | 1.39Å | 1.40Å | Aromatic |
| C54 | H75 | sing | 1.08Å | 1.08Å | |
| C55 | H76 | sing | 1.08Å | 1.08Å | |
| N15 | C56 | sing | 1.48Å | 1.49Å | |
| N15 | H77 | sing | 0.97Å | 1.00Å | |
| C56 | C57 | sing | 1.51Å | 1.53Å | |
| C56 | C58 | sing | 1.53Å | 1.53Å | |
| C56 | H78 | sing | 1.09Å | 1.10Å | |
| C57 | O12 | doub | 1.21Å | 1.25Å | |
| C58 | C59 | sing | 1.51Å | 1.49Å | |
| C58 | H79 | sing | 1.09Å | 1.10Å | |
| C58 | H80 | sing | 1.09Å | 1.10Å | |
| C59 | N16 | sing | 1.34Å | 1.38Å | Aromatic |
| C59 | C60 | doub | 1.35Å | 1.35Å | Aromatic |
| N16 | C61 | doub | 1.30Å | 1.32Å | Aromatic |
| N16 | H81 | sing | 0.97Å | 1.00Å | |
| C60 | N17 | sing | 1.37Å | 1.37Å | Aromatic |
| C60 | H82 | sing | 1.08Å | 1.08Å | |
| C61 | N17 | sing | 1.35Å | 1.34Å | Aromatic |
| C61 | H83 | sing | 1.08Å | 1.08Å | |
| N17 | H84 | sing | 0.97Å | 1.00Å | |
| N18 | C62 | sing | 1.48Å | 1.47Å | |
| N18 | H85 | sing | 0.97Å | 1.00Å | |
| C62 | C63 | sing | 1.51Å | 1.50Å | |
| C62 | H86 | sing | 1.09Å | 1.10Å | |
| C63 | O13 | doub | 1.21Å | 1.23Å | |
| N19 | C64 | sing | 1.47Å | 1.44Å | |
| N19 | H87 | sing | 0.97Å | 1.00Å | |
| C64 | C65 | sing | 1.51Å | 1.52Å | |
| C64 | H88 | sing | 1.09Å | 1.10Å | |
| C64 | H89 | sing | 1.09Å | 1.10Å | |
| C65 | O14 | doub | 1.21Å | 1.23Å | |
| N20 | C66 | sing | 1.47Å | 1.45Å | |
| N20 | H90 | sing | 0.97Å | 1.00Å | |
| C66 | C67 | sing | 1.51Å | 1.51Å | |
| C66 | H91 | sing | 1.09Å | 1.10Å | |
| C66 | H92 | sing | 1.09Å | 1.10Å | |
| C67 | O15 | doub | 1.21Å | 1.23Å | |
| N21 | H93 | sing | 0.97Å | 1.00Å | |
| N21 | H94 | sing | 0.97Å | 1.00Å | |
| C75 | N26 | sing | 1.46Å | 1.45Å | |
| N23 | N26 | sing | 1.29Å | 1.34Å | Aromatic |
| N23 | N27 | doub | 1.28Å | 1.30Å | Aromatic |
| N26 | C74 | sing | 1.35Å | 1.34Å | Aromatic |
| N27 | C73 | sing | 1.35Å | 1.36Å | Aromatic |
| C74 | C73 | doub | 1.36Å | 1.36Å | Aromatic |
| C73 | C72 | sing | 1.48Å | 1.47Å | |
| O17 | C80 | doub | 1.21Å | 1.27Å | |
| C71 | C72 | doub | 1.40Å | 1.39Å | Aromatic |
| C71 | C76 | sing | 1.39Å | 1.39Å | Aromatic |
| C72 | C77 | sing | 1.40Å | 1.38Å | Aromatic |
| C80 | C76 | sing | 1.48Å | 1.48Å | |
| C80 | O16 | sing | 1.35Å | 1.21Å | |
| C76 | C78 | doub | 1.39Å | 1.39Å | Aromatic |
| C77 | C70 | doub | 1.39Å | 1.39Å | Aromatic |
| C78 | C70 | sing | 1.40Å | 1.39Å | Aromatic |
| C70 | C79 | sing | 1.48Å | 1.47Å | |
| C79 | N22 | sing | 1.36Å | 1.36Å | Aromatic |
| C79 | C69 | doub | 1.36Å | 1.36Å | Aromatic |
| N22 | N25 | doub | 1.28Å | 1.31Å | Aromatic |
| C69 | N24 | sing | 1.35Å | 1.33Å | Aromatic |
| N25 | N24 | sing | 1.29Å | 1.34Å | Aromatic |
| N24 | C68 | sing | 1.46Å | 1.46Å | |
| C68 | H95 | sing | 1.09Å | 1.10Å | |
| C68 | H96 | sing | 1.09Å | 1.10Å | |
| C69 | H97 | sing | 1.08Å | 1.08Å | |
| C71 | H98 | sing | 1.08Å | 1.08Å | |
| C74 | H99 | sing | 1.08Å | 1.08Å | |
| C75 | H100 | sing | 1.09Å | 1.10Å | |
| C75 | H101 | sing | 1.09Å | 1.10Å | |
| O16 | H102 | sing | 0.97Å | 0.95Å | |
| C77 | H103 | sing | 1.08Å | 1.08Å | |
| C78 | H104 | sing | 1.08Å | 1.08Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C6 | N3 | sing | 1.36Å | 1.51Å | |
| C8 | N7 | sing | 1.36Å | 1.35Å | |
| C14 | N8 | sing | 1.36Å | 1.35Å | |
| C20 | N9 | sing | 1.36Å | 1.34Å | |
| C29 | N10 | sing | 1.36Å | 1.35Å | |
| C31 | N11 | sing | 1.36Å | 1.32Å | |
| C40 | N13 | sing | 1.36Å | 1.34Å | |
| C46 | N15 | sing | 1.36Å | 1.34Å | |
| C57 | N18 | sing | 1.36Å | 1.51Å | |
| C63 | N19 | sing | 1.35Å | 1.34Å | |
| C65 | N20 | sing | 1.35Å | 1.33Å | |
| C67 | N21 | sing | 1.35Å | 1.32Å | |
| C5 | C68 | sing | 1.53Å | 1.53Å | |
| C62 | C75 | sing | 1.53Å | 1.53Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.9° | 120.0° |
| O1 | C1 | N1 | 121.9° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C2 | C1 | N1 | 116.2° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.4° |
| H2 | C2 | H3 | 109.4° | 109.5° |
| C3 | N1 | H4 | 119.4° | 120.0° |
| N1 | C3 | C4 | 114.8° | 109.5° |
| N1 | C3 | H5 | 108.1° | 109.5° |
| N1 | C3 | H6 | 108.1° | 109.5° |
| C3 | N1 | C1 | 121.1° | 120.0° |
| H4 | N1 | C1 | 119.5° | 120.0° |
| C4 | C3 | H5 | 108.1° | 109.5° |
| C4 | C3 | H6 | 108.1° | 109.5° |
| C3 | C4 | O2 | 120.6° | 120.0° |
| C3 | C4 | N2 | 116.6° | 120.0° |
| H5 | C3 | H6 | 109.4° | 109.4° |
| O2 | C4 | N2 | 122.8° | 120.0° |
| C5 | N2 | H7 | 119.2° | 120.0° |
| N2 | C5 | C6 | 112.9° | 109.5° |
| N2 | C5 | H8 | 108.9° | 109.5° |
| C5 | N2 | C4 | 121.5° | 120.0° |
| N2 | C5 | C68 | 109.7° | 109.5° |
| H7 | N2 | C4 | 119.2° | 120.0° |
| C6 | C5 | H8 | 107.3° | 109.5° |
| C5 | C6 | O3 | 119.2° | 119.0° |
| C5 | C6 | N3 | 106.0° | 121.9° |
| C6 | C5 | C68 | 109.7° | 109.2° |
| H8 | C5 | C68 | 108.1° | 109.5° |
| O3 | C6 | N3 | 134.7° | 119.0° |
| C7 | N3 | H9 | 125.7° | 122.5° |
| N3 | C7 | C8 | 106.5° | 110.1° |
| N3 | C7 | C9 | 109.3° | 109.3° |
| N3 | C7 | H10 | 110.4° | 109.4° |
| C7 | N3 | C6 | 108.6° | 115.0° |
| H9 | N3 | C6 | 125.7° | 122.5° |
| C8 | C7 | C9 | 111.8° | 109.3° |
| C8 | C7 | H10 | 109.6° | 109.4° |
| C7 | C8 | O4 | 119.2° | 120.7° |
| C7 | C8 | N7 | 117.5° | 118.7° |
| C9 | C7 | H10 | 109.2° | 109.3° |
| C7 | C9 | C10 | 113.5° | 109.4° |
| C7 | C9 | H11 | 108.5° | 109.5° |
| C7 | C9 | H12 | 108.5° | 109.4° |
| O4 | C8 | N7 | 123.2° | 120.7° |
| C10 | C9 | H11 | 108.5° | 109.5° |
| C10 | C9 | H12 | 108.5° | 109.5° |
| C9 | C10 | C11 | 113.4° | 109.4° |
| C9 | C10 | H13 | 108.5° | 109.5° |
| C9 | C10 | H14 | 108.5° | 109.5° |
| H11 | C9 | H12 | 109.4° | 109.5° |
| C11 | C10 | H13 | 108.5° | 109.4° |
| C11 | C10 | H14 | 108.5° | 109.4° |
| C10 | C11 | N4 | 113.3° | 109.5° |
| C10 | C11 | H15 | 108.5° | 109.4° |
| C10 | C11 | H16 | 108.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| N4 | C11 | H15 | 108.5° | 109.5° |
| N4 | C11 | H16 | 108.5° | 109.4° |
| C11 | N4 | C12 | 124.9° | 120.0° |
| C11 | N4 | H17 | 117.6° | 120.0° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| C12 | N4 | H17 | 117.5° | 120.0° |
| N4 | C12 | N5 | 120.4° | 120.0° |
| N4 | C12 | N6 | 120.4° | 120.0° |
| N5 | C12 | N6 | 119.3° | 120.0° |
| C12 | N5 | H18 | 120.0° | 120.0° |
| C12 | N5 | H19 | 120.0° | 120.0° |
| C12 | N6 | H20 | 120.0° | 120.0° |
| C12 | N6 | H21 | 120.0° | 120.0° |
| H18 | N5 | H19 | 120.0° | 119.9° |
| H20 | N6 | H21 | 120.0° | 120.0° |
| C13 | N7 | H22 | 118.5° | 121.7° |
| N7 | C13 | C14 | 103.7° | 108.7° |
| N7 | C13 | C15 | 113.8° | 109.6° |
| N7 | C13 | H23 | 110.0° | 109.7° |
| C13 | N7 | C8 | 123.1° | 116.6° |
| H22 | N7 | C8 | 118.4° | 121.7° |
| C14 | C13 | C15 | 111.4° | 109.6° |
| C14 | C13 | H23 | 109.0° | 109.6° |
| C13 | C14 | O5 | 119.9° | 120.6° |
| C13 | C14 | N8 | 116.0° | 118.9° |
| C15 | C13 | H23 | 108.8° | 109.7° |
| C13 | C15 | C16 | 115.9° | 109.5° |
| C13 | C15 | H24 | 107.9° | 109.5° |
| C13 | C15 | H25 | 107.8° | 109.5° |
| O5 | C14 | N8 | 123.9° | 120.5° |
| C16 | C15 | H24 | 107.9° | 109.4° |
| C16 | C15 | H25 | 107.8° | 109.5° |
| C15 | C16 | C17 | 112.5° | 109.5° |
| C15 | C16 | C18 | 110.8° | 109.5° |
| C15 | C16 | H26 | 107.7° | 109.5° |
| H24 | C15 | H25 | 109.5° | 109.4° |
| C17 | C16 | C18 | 110.0° | 109.5° |
| C17 | C16 | H26 | 107.7° | 109.5° |
| C16 | C17 | H27 | 109.5° | 109.5° |
| C16 | C17 | H28 | 109.5° | 109.4° |
| C16 | C17 | H29 | 109.5° | 109.5° |
| C18 | C16 | H26 | 107.9° | 109.4° |
| C16 | C18 | H30 | 109.5° | 109.4° |
| C16 | C18 | H31 | 109.5° | 109.5° |
| C16 | C18 | H32 | 109.4° | 109.4° |
| H27 | C17 | H28 | 109.5° | 109.4° |
| H27 | C17 | H29 | 109.4° | 109.5° |
| H28 | C17 | H29 | 109.5° | 109.5° |
| H30 | C18 | H31 | 109.5° | 109.5° |
| H30 | C18 | H32 | 109.4° | 109.5° |
| H31 | C18 | H32 | 109.5° | 109.5° |
| C19 | N8 | H33 | 118.2° | 121.9° |
| N8 | C19 | C20 | 111.1° | 108.4° |
| N8 | C19 | C21 | 111.8° | 109.7° |
| N8 | C19 | H34 | 107.4° | 109.7° |
| C19 | N8 | C14 | 123.5° | 116.1° |
| H33 | N8 | C14 | 118.2° | 122.0° |
| C20 | C19 | C21 | 113.0° | 109.7° |
| C20 | C19 | H34 | 106.6° | 109.7° |
| C19 | C20 | O6 | 121.3° | 120.3° |
| C19 | C20 | N9 | 114.6° | 119.5° |
| C21 | C19 | H34 | 106.5° | 109.7° |
| C19 | C21 | C22 | 113.1° | 109.5° |
| C19 | C21 | H35 | 108.6° | 109.5° |
| C19 | C21 | H36 | 108.6° | 109.4° |
| O6 | C20 | N9 | 124.0° | 120.2° |
| C22 | C21 | H35 | 108.6° | 109.5° |
| C22 | C21 | H36 | 108.6° | 109.5° |
| C21 | C22 | C23 | 121.0° | 120.0° |
| C21 | C22 | C24 | 120.9° | 119.9° |
| H35 | C21 | H36 | 109.5° | 109.5° |
| C23 | C22 | C24 | 118.1° | 120.1° |
| C22 | C23 | C25 | 121.2° | 120.1° |
| C22 | C23 | H37 | 119.4° | 120.0° |
| C22 | C24 | C26 | 121.2° | 120.0° |
| C22 | C24 | H38 | 119.4° | 120.0° |
| C25 | C23 | H37 | 119.4° | 119.9° |
| C23 | C25 | C27 | 119.6° | 120.0° |
| C23 | C25 | H39 | 120.2° | 120.0° |
| C26 | C24 | H38 | 119.4° | 120.0° |
| C24 | C26 | C27 | 119.7° | 120.0° |
| C24 | C26 | H40 | 120.2° | 120.0° |
| C27 | C25 | H39 | 120.2° | 120.1° |
| C25 | C27 | C26 | 120.1° | 119.9° |
| C25 | C27 | O7 | 120.0° | 120.1° |
| C27 | C26 | H40 | 120.1° | 120.0° |
| C26 | C27 | O7 | 119.9° | 120.1° |
| C27 | O7 | H41 | 109.5° | 114.0° |
| C28 | N9 | H42 | 117.6° | 121.6° |
| N9 | C28 | C29 | 117.7° | 108.7° |
| N9 | C28 | H43 | 107.3° | 109.6° |
| N9 | C28 | H44 | 107.4° | 109.6° |
| C28 | N9 | C20 | 124.7° | 116.7° |
| H42 | N9 | C20 | 117.7° | 121.7° |
| C29 | C28 | H43 | 107.4° | 109.6° |
| C29 | C28 | H44 | 107.3° | 109.6° |
| C28 | C29 | O8 | 119.4° | 120.7° |
| C28 | C29 | N10 | 117.9° | 118.6° |
| H43 | C28 | H44 | 109.5° | 109.8° |
| O8 | C29 | N10 | 122.7° | 120.7° |
| C30 | N10 | H45 | 119.9° | 122.0° |
| N10 | C30 | C31 | 111.2° | 108.4° |
| N10 | C30 | C32 | 110.5° | 109.7° |
| N10 | C30 | H46 | 110.6° | 109.7° |
| C30 | N10 | C29 | 120.2° | 116.0° |
| H45 | N10 | C29 | 119.9° | 122.0° |
| C31 | C30 | C32 | 105.5° | 109.6° |
| C31 | C30 | H46 | 109.6° | 109.7° |
| C30 | C31 | O9 | 119.3° | 120.4° |
| C30 | C31 | N11 | 116.2° | 119.1° |
| C32 | C30 | H46 | 109.3° | 109.7° |
| C30 | C32 | C33 | 114.7° | 109.4° |
| C30 | C32 | H47 | 108.1° | 109.4° |
| C30 | C32 | H48 | 108.1° | 109.5° |
| O9 | C31 | N11 | 124.1° | 120.5° |
| C33 | C32 | H47 | 108.1° | 109.5° |
| C33 | C32 | H48 | 108.1° | 109.5° |
| C32 | C33 | C34 | 120.5° | 120.0° |
| C32 | C33 | C35 | 120.6° | 119.9° |
| H47 | C32 | H48 | 109.5° | 109.5° |
| C34 | C33 | C35 | 118.8° | 120.1° |
| C33 | C34 | C36 | 120.6° | 119.9° |
| C33 | C34 | H49 | 119.7° | 120.0° |
| C33 | C35 | C37 | 120.5° | 120.0° |
| C33 | C35 | H50 | 119.8° | 120.0° |
| C36 | C34 | H49 | 119.7° | 120.0° |
| C34 | C36 | C38 | 119.6° | 120.0° |
| C34 | C36 | H51 | 120.2° | 120.0° |
| C37 | C35 | H50 | 119.7° | 120.0° |
| C35 | C37 | C38 | 119.6° | 120.0° |
| C35 | C37 | H52 | 120.2° | 120.0° |
| C38 | C36 | H51 | 120.2° | 120.0° |
| C36 | C38 | C37 | 120.8° | 120.0° |
| C36 | C38 | H53 | 119.6° | 120.0° |
| C38 | C37 | H52 | 120.2° | 120.0° |
| C37 | C38 | H53 | 119.6° | 120.0° |
| C39 | N11 | H54 | 118.2° | 121.9° |
| N11 | C39 | C40 | 105.6° | 108.1° |
| N11 | C39 | C41 | 110.7° | 109.7° |
| N11 | C39 | H55 | 111.0° | 109.7° |
| C39 | N11 | C31 | 123.5° | 116.3° |
| H54 | N11 | C31 | 118.2° | 121.9° |
| C40 | C39 | C41 | 109.6° | 109.7° |
| C40 | C39 | H55 | 109.9° | 109.8° |
| C39 | C40 | O10 | 120.6° | 120.0° |
| C39 | C40 | N13 | 116.5° | 120.0° |
| C41 | C39 | H55 | 110.0° | 109.8° |
| C39 | C41 | C42 | 113.3° | 109.5° |
| C39 | C41 | H56 | 108.5° | 109.5° |
| C39 | C41 | H57 | 108.5° | 109.4° |
| O10 | C40 | N13 | 122.9° | 120.0° |
| C42 | C41 | H56 | 108.5° | 109.5° |
| C42 | C41 | H57 | 108.5° | 109.5° |
| C41 | C42 | C43 | 112.1° | 109.5° |
| C41 | C42 | H58 | 108.8° | 109.5° |
| C41 | C42 | H59 | 108.8° | 109.5° |
| H56 | C41 | H57 | 109.5° | 109.5° |
| C43 | C42 | H58 | 108.8° | 109.5° |
| C43 | C42 | H59 | 108.8° | 109.5° |
| C42 | C43 | C44 | 114.7° | 109.5° |
| C42 | C43 | H60 | 108.1° | 109.5° |
| C42 | C43 | H61 | 108.1° | 109.4° |
| H58 | C42 | H59 | 109.5° | 109.4° |
| C44 | C43 | H60 | 108.2° | 109.5° |
| C44 | C43 | H61 | 108.1° | 109.4° |
| C43 | C44 | N12 | 112.0° | 109.5° |
| C43 | C44 | H62 | 108.9° | 109.5° |
| C43 | C44 | H63 | 108.8° | 109.4° |
| H60 | C43 | H61 | 109.5° | 109.5° |
| N12 | C44 | H62 | 108.8° | 109.5° |
| N12 | C44 | H63 | 108.9° | 109.5° |
| C44 | N12 | H64 | 109.5° | 109.5° |
| C44 | N12 | H65 | 109.5° | 109.5° |
| C44 | N12 | H66 | 109.5° | 109.5° |
| H62 | C44 | H63 | 109.5° | 109.5° |
| H64 | N12 | H65 | 109.5° | 109.5° |
| H64 | N12 | H66 | 109.5° | 109.5° |
| H65 | N12 | H66 | 109.5° | 109.4° |
| C45 | N13 | H67 | 118.9° | 122.4° |
| N13 | C45 | C46 | 113.5° | 109.3° |
| N13 | C45 | C47 | 109.0° | 109.5° |
| N13 | C45 | H68 | 108.8° | 109.5° |
| C45 | N13 | C40 | 122.2° | 115.1° |
| H67 | N13 | C40 | 118.9° | 122.5° |
| C46 | C45 | C47 | 109.4° | 109.5° |
| C46 | C45 | H68 | 107.9° | 109.5° |
| C45 | C46 | O11 | 119.6° | 120.2° |
| C45 | C46 | N15 | 116.4° | 119.6° |
| C47 | C45 | H68 | 108.1° | 109.5° |
| C45 | C47 | C48 | 114.7° | 109.5° |
| C45 | C47 | H69 | 108.2° | 109.5° |
| C45 | C47 | H70 | 108.2° | 109.5° |
| O11 | C46 | N15 | 124.0° | 120.2° |
| C48 | C47 | H69 | 108.1° | 109.5° |
| C48 | C47 | H70 | 108.1° | 109.4° |
| C47 | C48 | C49 | 126.7° | 126.5° |
| C47 | C48 | C50 | 126.6° | 126.5° |
| H69 | C47 | H70 | 109.5° | 109.5° |
| C49 | C48 | C50 | 106.4° | 107.0° |
| C48 | C49 | N14 | 110.0° | 109.9° |
| C48 | C49 | H71 | 125.0° | 125.1° |
| C48 | C50 | C51 | 107.2° | 106.0° |
| C48 | C50 | C52 | 134.0° | 134.0° |
| N14 | C49 | H71 | 125.0° | 125.0° |
| C49 | N14 | C51 | 109.1° | 109.9° |
| C49 | N14 | H72 | 125.4° | 125.1° |
| C51 | C50 | C52 | 118.7° | 119.9° |
| C50 | C51 | N14 | 107.2° | 107.2° |
| C50 | C51 | C53 | 122.3° | 119.3° |
| C50 | C52 | C54 | 118.9° | 119.7° |
| C50 | C52 | H73 | 120.5° | 120.1° |
| C51 | N14 | H72 | 125.5° | 125.1° |
| N14 | C51 | C53 | 130.4° | 133.5° |
| C51 | C53 | C55 | 117.3° | 119.8° |
| C51 | C53 | H74 | 121.4° | 120.1° |
| C54 | C52 | H73 | 120.5° | 120.1° |
| C52 | C54 | C55 | 121.0° | 120.6° |
| C52 | C54 | H75 | 119.5° | 119.7° |
| C55 | C53 | H74 | 121.3° | 120.1° |
| C53 | C55 | C54 | 121.6° | 120.6° |
| C53 | C55 | H76 | 119.2° | 119.7° |
| C55 | C54 | H75 | 119.5° | 119.7° |
| C54 | C55 | H76 | 119.2° | 119.6° |
| C56 | N15 | H77 | 119.0° | 121.5° |
| N15 | C56 | C57 | 110.0° | 109.3° |
| N15 | C56 | C58 | 111.6° | 109.5° |
| N15 | C56 | H78 | 108.3° | 109.5° |
| C56 | N15 | C46 | 122.0° | 117.0° |
| H77 | N15 | C46 | 119.0° | 121.5° |
| C57 | C56 | C58 | 111.3° | 109.5° |
| C57 | C56 | H78 | 107.8° | 109.5° |
| C56 | C57 | O12 | 117.1° | 120.1° |
| C56 | C57 | N18 | 122.3° | 119.7° |
| C58 | C56 | H78 | 107.7° | 109.5° |
| C56 | C58 | C59 | 112.8° | 109.5° |
| C56 | C58 | H79 | 108.6° | 109.5° |
| C56 | C58 | H80 | 108.6° | 109.5° |
| O12 | C57 | N18 | 112.4° | 120.1° |
| C59 | C58 | H79 | 108.6° | 109.5° |
| C59 | C58 | H80 | 108.6° | 109.4° |
| C58 | C59 | N16 | 122.4° | 126.0° |
| C58 | C59 | C60 | 131.3° | 126.0° |
| H79 | C58 | H80 | 109.5° | 109.4° |
| N16 | C59 | C60 | 106.3° | 108.0° |
| C59 | N16 | C61 | 109.4° | 109.3° |
| C59 | N16 | H81 | 125.3° | 125.3° |
| C59 | C60 | N17 | 107.5° | 106.8° |
| C59 | C60 | H82 | 126.2° | 126.6° |
| C61 | N16 | H81 | 125.3° | 125.4° |
| N16 | C61 | N17 | 108.1° | 108.7° |
| N16 | C61 | H83 | 126.0° | 125.6° |
| N17 | C60 | H82 | 126.3° | 126.6° |
| C60 | N17 | C61 | 108.7° | 107.2° |
| C60 | N17 | H84 | 125.7° | 126.4° |
| N17 | C61 | H83 | 125.9° | 125.7° |
| C61 | N17 | H84 | 125.7° | 126.3° |
| C62 | N18 | H85 | 117.7° | 121.8° |
| N18 | C62 | C63 | 110.7° | 109.5° |
| N18 | C62 | H86 | 110.5° | 109.5° |
| C62 | N18 | C57 | 124.7° | 116.4° |
| N18 | C62 | C75 | 112.8° | 109.2° |
| H85 | N18 | C57 | 117.6° | 121.8° |
| C63 | C62 | H86 | 110.0° | 109.6° |
| C62 | C63 | O13 | 120.6° | 120.1° |
| C62 | C63 | N19 | 115.1° | 120.0° |
| C63 | C62 | C75 | 103.0° | 109.5° |
| H86 | C62 | C75 | 109.7° | 109.5° |
| O13 | C63 | N19 | 124.3° | 120.0° |
| C64 | N19 | H87 | 119.2° | 120.0° |
| N19 | C64 | C65 | 109.1° | 109.5° |
| N19 | C64 | H88 | 109.5° | 109.5° |
| N19 | C64 | H89 | 109.6° | 109.5° |
| C64 | N19 | C63 | 121.6° | 120.0° |
| H87 | N19 | C63 | 119.2° | 120.0° |
| C65 | C64 | H88 | 109.6° | 109.5° |
| C65 | C64 | H89 | 109.5° | 109.5° |
| C64 | C65 | O14 | 120.7° | 120.0° |
| C64 | C65 | N20 | 116.2° | 120.0° |
| H88 | C64 | H89 | 109.5° | 109.4° |
| O14 | C65 | N20 | 123.1° | 120.0° |
| C66 | N20 | H90 | 119.7° | 120.0° |
| N20 | C66 | C67 | 114.6° | 109.4° |
| N20 | C66 | H91 | 108.2° | 109.5° |
| N20 | C66 | H92 | 108.2° | 109.5° |
| C66 | N20 | C65 | 120.7° | 119.9° |
| H90 | N20 | C65 | 119.7° | 120.0° |
| C67 | C66 | H91 | 108.2° | 109.4° |
| C67 | C66 | H92 | 108.2° | 109.5° |
| C66 | C67 | O15 | 119.6° | 120.0° |
| C66 | C67 | N21 | 117.3° | 120.0° |
| H91 | C66 | H92 | 109.5° | 109.5° |
| O15 | C67 | N21 | 123.1° | 120.0° |
| H93 | N21 | H94 | 120.0° | 120.0° |
| H93 | N21 | C67 | 120.0° | 120.0° |
| H94 | N21 | C67 | 120.0° | 120.0° |
| C75 | N26 | N23 | 120.5° | 125.8° |
| C75 | N26 | C74 | 128.4° | 125.9° |
| N26 | C75 | H100 | 108.6° | 109.5° |
| N26 | C75 | H101 | 108.5° | 109.4° |
| N26 | C75 | C62 | 113.2° | 109.8° |
| N26 | N23 | N27 | 107.0° | 110.6° |
| N23 | N26 | C74 | 111.1° | 108.3° |
| N23 | N27 | C73 | 109.2° | 108.8° |
| N26 | C74 | C73 | 105.0° | 106.4° |
| N26 | C74 | H99 | 127.5° | 126.8° |
| N27 | C73 | C74 | 107.7° | 105.8° |
| N27 | C73 | C72 | 121.2° | 124.8° |
| C74 | C73 | C72 | 131.0° | 129.4° |
| C73 | C74 | H99 | 127.5° | 126.8° |
| C73 | C72 | C71 | 121.1° | 118.1° |
| C73 | C72 | C77 | 119.2° | 122.2° |
| O17 | C80 | C76 | 113.6° | 120.0° |
| O17 | C80 | O16 | 123.8° | 120.1° |
| C72 | C71 | C76 | 120.0° | 120.3° |
| C71 | C72 | C77 | 119.7° | 119.7° |
| C72 | C71 | H98 | 120.0° | 119.8° |
| C71 | C76 | C80 | 120.2° | 120.2° |
| C71 | C76 | C78 | 120.0° | 119.8° |
| C76 | C71 | H98 | 120.0° | 119.9° |
| C72 | C77 | C70 | 120.7° | 120.2° |
| C72 | C77 | H103 | 119.7° | 119.9° |
| C76 | C80 | O16 | 122.5° | 120.0° |
| C80 | C76 | C78 | 119.8° | 120.0° |
| C80 | O16 | H102 | 109.5° | 116.9° |
| C76 | C78 | C70 | 119.9° | 120.2° |
| C76 | C78 | H104 | 120.1° | 119.9° |
| C77 | C70 | C78 | 119.8° | 119.8° |
| C77 | C70 | C79 | 119.2° | 123.4° |
| C70 | C77 | H103 | 119.6° | 120.0° |
| C78 | C70 | C79 | 121.0° | 116.8° |
| C70 | C78 | H104 | 120.1° | 119.9° |
| C70 | C79 | N22 | 123.2° | 123.5° |
| C70 | C79 | C69 | 129.0° | 130.4° |
| N22 | C79 | C69 | 107.8° | 106.1° |
| C79 | N22 | N25 | 109.0° | 108.6° |
| C79 | C69 | N24 | 105.2° | 106.3° |
| C79 | C69 | H97 | 127.4° | 126.8° |
| N22 | N25 | N24 | 107.1° | 110.7° |
| C69 | N24 | N25 | 111.0° | 108.2° |
| C69 | N24 | C68 | 128.3° | 127.2° |
| N24 | C69 | H97 | 127.4° | 126.8° |
| N25 | N24 | C68 | 120.7° | 124.6° |
| N24 | C68 | H95 | 109.7° | 109.0° |
| N24 | C68 | H96 | 109.8° | 108.9° |
| N24 | C68 | C5 | 108.4° | 112.0° |
| H95 | C68 | H96 | 109.5° | 109.0° |
| H95 | C68 | C5 | 109.7° | 108.9° |
| H96 | C68 | C5 | 109.7° | 109.0° |
| H100 | C75 | H101 | 109.4° | 109.3° |
| H100 | C75 | C62 | 108.5° | 109.4° |
| H101 | C75 | C62 | 108.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.8° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.1° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 17.0° | 5.1° |
| O1 | C1 | N1 | H4 | 163.0° | 175.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.1° |
| C1 | C2 | H1 | H3 | 120.0° | 119.9° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 163.2° | 174.6° |
| C2 | C1 | N1 | H4 | 16.8° | 5.4° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 179.8° | 179.7° |
| H2 | C2 | C1 | N1 | 59.7° | 59.7° |
| H3 | C2 | C1 | N1 | 60.2° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | H5 | 120.8° | 120.0° |
| N1 | C3 | C4 | H6 | 120.8° | 120.0° |
| N1 | C3 | H5 | H6 | 117.6° | 120.0° |
| N1 | C3 | C4 | O2 | 173.9° | 5.3° |
| N1 | C3 | C4 | N2 | 6.4° | 174.7° |
| H4 | N1 | C3 | C4 | 71.0° | 5.5° |
| H4 | N1 | C3 | H5 | 168.2° | 125.5° |
| H4 | N1 | C3 | H6 | 49.8° | 114.6° |
| C4 | C3 | H5 | H6 | 117.6° | 120.0° |
| C3 | C4 | O2 | N2 | 179.6° | 180.0° |
| C3 | C4 | N2 | C5 | 175.9° | 175.7° |
| C3 | C4 | N2 | H7 | 4.1° | 4.3° |
| C4 | C3 | N1 | C1 | 109.0° | 174.5° |
| H5 | C3 | C4 | O2 | 65.3° | 114.7° |
| H5 | C3 | N1 | C1 | 11.8° | 54.5° |
| H5 | C3 | C4 | N2 | 114.4° | 65.3° |
| H6 | C3 | C4 | O2 | 53.1° | 125.3° |
| H6 | C3 | N1 | C1 | 130.2° | 65.4° |
| H6 | C3 | C4 | N2 | 127.2° | 54.7° |
| O2 | C4 | N2 | C5 | 3.7° | 4.3° |
| O2 | C4 | N2 | H7 | 176.3° | 175.7° |
| C5 | N2 | H7 | C4 | 180.0° | 180.0° |
| N2 | C5 | C6 | H8 | 120.0° | 120.1° |
| N2 | C5 | C6 | C68 | 122.7° | 119.9° |
| N2 | C5 | H8 | C68 | 119.1° | 120.1° |
| N2 | C5 | C6 | O3 | 90.5° | 78.0° |
| N2 | C5 | C68 | N24 | 178.3° | 40.7° |
| N2 | C5 | C68 | H95 | 58.5° | 79.9° |
| N2 | C5 | C68 | H96 | 61.8° | 161.3° |
| N2 | C5 | C6 | N3 | 87.6° | 102.0° |
| H7 | N2 | C5 | C6 | 53.1° | 124.6° |
| H7 | N2 | C5 | H8 | 172.2° | 4.5° |
| H7 | N2 | C5 | C68 | 69.6° | 115.7° |
| C6 | C5 | H8 | C68 | 118.3° | 119.8° |
| C5 | C6 | O3 | N3 | 177.4° | 180.0° |
| C5 | C6 | N3 | C7 | 175.4° | 172.8° |
| C5 | C6 | N3 | H9 | 4.6° | 7.2° |
| C6 | C5 | C68 | N24 | 53.7° | 160.6° |
| C6 | C5 | C68 | H95 | 66.1° | 40.1° |
| C6 | C5 | C68 | H96 | 173.6° | 78.7° |
| C6 | C5 | N2 | C4 | 126.9° | 55.4° |
| H8 | C5 | C6 | O3 | 149.5° | 161.9° |
| H8 | C5 | C68 | N24 | 63.0° | 79.4° |
| H8 | C5 | C68 | H95 | 177.1° | 160.0° |
| H8 | C5 | C68 | H96 | 56.8° | 41.2° |
| H8 | C5 | N2 | C4 | 7.7° | 175.5° |
| H8 | C5 | C6 | N3 | 32.5° | 18.1° |
| O3 | C6 | N3 | C7 | 2.2° | 7.2° |
| O3 | C6 | N3 | H9 | 177.8° | 172.9° |
| O3 | C6 | C5 | C68 | 32.2° | 41.9° |
| C7 | N3 | H9 | C6 | 180.0° | 180.0° |
| N3 | C7 | C8 | C9 | 119.4° | 120.2° |
| N3 | C7 | C8 | H10 | 119.5° | 120.3° |
| N3 | C7 | C9 | H10 | 120.9° | 119.7° |
| N3 | C7 | C8 | O4 | 20.1° | 10.5° |
| N3 | C7 | C9 | C10 | 70.8° | 56.7° |
| N3 | C7 | C9 | H11 | 49.9° | 176.7° |
| N3 | C7 | C9 | H12 | 168.6° | 63.3° |
| N3 | C7 | C8 | N7 | 156.0° | 169.6° |
| H9 | N3 | C7 | C8 | 48.1° | 22.9° |
| H9 | N3 | C7 | C9 | 72.8° | 143.1° |
| H9 | N3 | C7 | H10 | 167.0° | 97.3° |
| C8 | C7 | C9 | H10 | 121.4° | 119.6° |
| C7 | C8 | O4 | N7 | 175.8° | 179.9° |
| C8 | C7 | C9 | C10 | 171.5° | 63.9° |
| C8 | C7 | C9 | H11 | 67.8° | 56.1° |
| C8 | C7 | C9 | H12 | 50.9° | 176.1° |
| C7 | C8 | N7 | C13 | 173.4° | 179.9° |
| C7 | C8 | N7 | H22 | 6.6° | 0.1° |
| C8 | C7 | N3 | C6 | 131.9° | 157.1° |
| C9 | C7 | C8 | O4 | 99.3° | 130.7° |
| C7 | C9 | C10 | H11 | 120.6° | 120.0° |
| C7 | C9 | C10 | H12 | 120.6° | 120.0° |
| C7 | C9 | H11 | H12 | 118.1° | 120.0° |
| C7 | C9 | C10 | C11 | 174.8° | 177.0° |
| C7 | C9 | C10 | H13 | 64.7° | 57.0° |
| C7 | C9 | C10 | H14 | 54.2° | 63.1° |
| C9 | C7 | N3 | C6 | 107.2° | 36.9° |
| C9 | C7 | C8 | N7 | 84.7° | 49.4° |
| H10 | C7 | C8 | O4 | 139.6° | 109.8° |
| H10 | C7 | C9 | C10 | 50.1° | 176.4° |
| H10 | C7 | C9 | H11 | 170.7° | 63.6° |
| H10 | C7 | C9 | H12 | 70.5° | 56.4° |
| H10 | C7 | N3 | C6 | 13.0° | 82.7° |
| H10 | C7 | C8 | N7 | 36.5° | 70.2° |
| O4 | C8 | N7 | C13 | 10.7° | 0.0° |
| O4 | C8 | N7 | H22 | 169.3° | 180.0° |
| C10 | C9 | H11 | H12 | 118.2° | 120.1° |
| C9 | C10 | C11 | H13 | 120.6° | 120.0° |
| C9 | C10 | C11 | H14 | 120.6° | 120.0° |
| C9 | C10 | H13 | H14 | 118.2° | 120.1° |
| C9 | C10 | C11 | N4 | 179.7° | 160.0° |
| C9 | C10 | C11 | H15 | 59.2° | 39.9° |
| C9 | C10 | C11 | H16 | 59.7° | 80.1° |
| H11 | C9 | C10 | C11 | 54.1° | 63.1° |
| H11 | C9 | C10 | H13 | 174.7° | 177.0° |
| H11 | C9 | C10 | H14 | 66.4° | 56.9° |
| H12 | C9 | C10 | C11 | 64.6° | 57.0° |
| H12 | C9 | C10 | H13 | 56.0° | 63.0° |
| H12 | C9 | C10 | H14 | 174.8° | 177.0° |
| C11 | C10 | H13 | H14 | 118.2° | 120.0° |
| C10 | C11 | N4 | H15 | 120.6° | 120.0° |
| C10 | C11 | N4 | H16 | 120.6° | 120.0° |
| C10 | C11 | H15 | H16 | 118.3° | 120.0° |
| C10 | C11 | N4 | C12 | 107.3° | 177.0° |
| C10 | C11 | N4 | H17 | 72.7° | 3.1° |
| H13 | C10 | C11 | N4 | 59.7° | 80.1° |
| H13 | C10 | C11 | H15 | 179.8° | 159.9° |
| H13 | C10 | C11 | H16 | 60.9° | 39.9° |
| H14 | C10 | C11 | N4 | 59.2° | 40.0° |
| H14 | C10 | C11 | H15 | 61.4° | 80.1° |
| H14 | C10 | C11 | H16 | 179.7° | 159.9° |
| N4 | C11 | H15 | H16 | 118.2° | 120.0° |
| C11 | N4 | C12 | H17 | 180.0° | 179.9° |
| C11 | N4 | C12 | N5 | 2.0° | 13.2° |
| C11 | N4 | C12 | N6 | 178.5° | 166.8° |
| H15 | C11 | N4 | C12 | 132.2° | 63.0° |
| H15 | C11 | N4 | H17 | 47.8° | 116.9° |
| H16 | C11 | N4 | C12 | 13.3° | 57.0° |
| H16 | C11 | N4 | H17 | 166.7° | 123.0° |
| N4 | C12 | N5 | N6 | 179.5° | 179.9° |
| N4 | C12 | N5 | H18 | 179.4° | 0.1° |
| N4 | C12 | N5 | H19 | 0.5° | 179.9° |
| N4 | C12 | N6 | H20 | 179.4° | 9.7° |
| N4 | C12 | N6 | H21 | 0.5° | 170.2° |
| H17 | N4 | C12 | N5 | 178.0° | 166.9° |
| H17 | N4 | C12 | N6 | 1.5° | 13.1° |
| C12 | N5 | H18 | H19 | 180.0° | 180.0° |
| N5 | C12 | N6 | H20 | 0.0° | 170.3° |
| N5 | C12 | N6 | H21 | 180.0° | 9.7° |
| N6 | C12 | N5 | H18 | 0.0° | 180.0° |
| N6 | C12 | N5 | H19 | 180.0° | 0.0° |
| C12 | N6 | H20 | H21 | 180.0° | 179.9° |
| C13 | N7 | H22 | C8 | 180.0° | 180.0° |
| N7 | C13 | C14 | C15 | 122.8° | 119.7° |
| N7 | C13 | C14 | H23 | 117.2° | 119.8° |
| N7 | C13 | C15 | H23 | 123.0° | 120.5° |
| N7 | C13 | C14 | O5 | 57.6° | 18.5° |
| N7 | C13 | C15 | C16 | 175.2° | 65.0° |
| N7 | C13 | C15 | H24 | 54.3° | 55.0° |
| N7 | C13 | C15 | H25 | 63.9° | 174.9° |
| N7 | C13 | C14 | N8 | 117.4° | 161.5° |
| H22 | N7 | C13 | C14 | 59.9° | 44.3° |
| H22 | N7 | C13 | C15 | 61.3° | 75.4° |
| H22 | N7 | C13 | H23 | 176.4° | 164.1° |
| C14 | C13 | C15 | H23 | 120.1° | 120.4° |
| C13 | C14 | O5 | N8 | 174.6° | 180.0° |
| C14 | C13 | C15 | C16 | 67.9° | 175.8° |
| C14 | C13 | C15 | H24 | 171.1° | 64.2° |
| C14 | C13 | C15 | H25 | 53.0° | 55.8° |
| C13 | C14 | N8 | C19 | 176.8° | 179.4° |
| C13 | C14 | N8 | H33 | 3.1° | 0.6° |
| C14 | C13 | N7 | C8 | 120.1° | 135.7° |
| C15 | C13 | C14 | O5 | 65.2° | 101.2° |
| C13 | C15 | C16 | H24 | 120.9° | 120.0° |
| C13 | C15 | C16 | H25 | 120.9° | 120.0° |
| C13 | C15 | H24 | H25 | 117.1° | 120.0° |
| C13 | C15 | C16 | C17 | 55.3° | 175.0° |
| C13 | C15 | C16 | C18 | 178.9° | 65.0° |
| C13 | C15 | C16 | H26 | 63.3° | 55.0° |
| C15 | C13 | N7 | C8 | 118.7° | 104.6° |
| C15 | C13 | C14 | N8 | 119.8° | 78.8° |
| H23 | C13 | C14 | O5 | 174.8° | 138.3° |
| H23 | C13 | C15 | C16 | 52.2° | 55.4° |
| H23 | C13 | C15 | H24 | 68.7° | 175.4° |
| H23 | C13 | C15 | H25 | 173.1° | 64.6° |
| H23 | C13 | N7 | C8 | 3.6° | 15.9° |
| H23 | C13 | C14 | N8 | 0.2° | 41.7° |
| O5 | C14 | N8 | C19 | 2.1° | 0.6° |
| O5 | C14 | N8 | H33 | 177.9° | 179.4° |
| C16 | C15 | H24 | H25 | 117.1° | 120.0° |
| C15 | C16 | C17 | C18 | 124.1° | 120.0° |
| C15 | C16 | C17 | H26 | 118.6° | 120.0° |
| C15 | C16 | C18 | H26 | 117.7° | 120.0° |
| C15 | C16 | C17 | H27 | 180.0° | 60.0° |
| C15 | C16 | C17 | H28 | 60.0° | 180.0° |
| C15 | C16 | C17 | H29 | 60.0° | 60.0° |
| C15 | C16 | C18 | H30 | 180.0° | 60.0° |
| C15 | C16 | C18 | H31 | 60.0° | 59.9° |
| C15 | C16 | C18 | H32 | 60.0° | 180.0° |
| H24 | C15 | C16 | C17 | 65.7° | 55.0° |
| H24 | C15 | C16 | C18 | 57.9° | 175.0° |
| H24 | C15 | C16 | H26 | 175.7° | 65.0° |
| H25 | C15 | C16 | C17 | 176.2° | 65.0° |
| H25 | C15 | C16 | C18 | 60.2° | 55.1° |
| H25 | C15 | C16 | H26 | 57.6° | 175.0° |
| C17 | C16 | C18 | H26 | 117.2° | 120.0° |
| C16 | C17 | H27 | H28 | 120.0° | 119.9° |
| C16 | C17 | H27 | H29 | 120.0° | 120.0° |
| C16 | C17 | H28 | H29 | 120.0° | 120.0° |
| C17 | C16 | C18 | H30 | 55.0° | 60.0° |
| C17 | C16 | C18 | H31 | 65.1° | 180.0° |
| C17 | C16 | C18 | H32 | 175.0° | 60.0° |
| C18 | C16 | C17 | H27 | 55.9° | 60.0° |
| C18 | C16 | C17 | H28 | 175.9° | 60.0° |
| C18 | C16 | C17 | H29 | 64.1° | 180.0° |
| C16 | C18 | H30 | H31 | 120.1° | 120.0° |
| C16 | C18 | H30 | H32 | 120.0° | 119.9° |
| C16 | C18 | H31 | H32 | 120.0° | 120.0° |
| H26 | C16 | C17 | H27 | 61.4° | 180.0° |
| H26 | C16 | C17 | H28 | 58.6° | 60.0° |
| H26 | C16 | C17 | H29 | 178.6° | 60.0° |
| H26 | C16 | C18 | H30 | 62.3° | 180.0° |
| H26 | C16 | C18 | H31 | 177.7° | 60.0° |
| H26 | C16 | C18 | H32 | 57.7° | 60.0° |
| H27 | C17 | H28 | H29 | 120.0° | 120.0° |
| H30 | C18 | H31 | H32 | 120.0° | 120.0° |
| C19 | N8 | H33 | C14 | 180.0° | 180.0° |
| N8 | C19 | C20 | C21 | 126.7° | 119.7° |
| N8 | C19 | C20 | H34 | 116.7° | 119.7° |
| N8 | C19 | C21 | H34 | 117.0° | 120.6° |
| N8 | C19 | C20 | O6 | 142.1° | 25.6° |
| N8 | C19 | C21 | C22 | 59.0° | 64.6° |
| N8 | C19 | C21 | H35 | 61.5° | 175.4° |
| N8 | C19 | C21 | H36 | 179.5° | 55.4° |
| N8 | C19 | C20 | N9 | 33.7° | 154.4° |
| H33 | N8 | C19 | C20 | 128.7° | 37.2° |
| H33 | N8 | C19 | C21 | 104.0° | 156.9° |
| H33 | N8 | C19 | H34 | 12.5° | 82.5° |
| C20 | C19 | C21 | H34 | 116.7° | 120.5° |
| C19 | C20 | O6 | N9 | 175.4° | 180.0° |
| C20 | C19 | C21 | C22 | 174.7° | 54.3° |
| C20 | C19 | C21 | H35 | 64.8° | 65.7° |
| C20 | C19 | C21 | H36 | 54.2° | 174.3° |
| C19 | C20 | N9 | C28 | 179.7° | 178.6° |
| C19 | C20 | N9 | H42 | 0.3° | 1.4° |
| C20 | C19 | N8 | C14 | 51.3° | 142.8° |
| C21 | C19 | C20 | O6 | 15.4° | 145.3° |
| C19 | C21 | C22 | H35 | 120.5° | 120.0° |
| C19 | C21 | C22 | H36 | 120.5° | 120.0° |
| C19 | C21 | H35 | H36 | 118.4° | 120.0° |
| C19 | C21 | C22 | C23 | 67.4° | 101.3° |
| C19 | C21 | C22 | C24 | 114.5° | 78.9° |
| C21 | C19 | N8 | C14 | 76.0° | 23.1° |
| C21 | C19 | C20 | N9 | 160.4° | 34.7° |
| H34 | C19 | C20 | O6 | 101.2° | 94.1° |
| H34 | C19 | C21 | C22 | 58.0° | 174.8° |
| H34 | C19 | C21 | H35 | 178.5° | 54.8° |
| H34 | C19 | C21 | H36 | 62.5° | 65.2° |
| H34 | C19 | N8 | C14 | 167.5° | 97.5° |
| H34 | C19 | C20 | N9 | 83.0° | 85.9° |
| O6 | C20 | N9 | C28 | 4.6° | 1.5° |
| O6 | C20 | N9 | H42 | 175.4° | 178.5° |
| C22 | C21 | H35 | H36 | 118.3° | 120.0° |
| C21 | C22 | C23 | C24 | 178.1° | 179.8° |
| C21 | C22 | C23 | C25 | 178.4° | 180.0° |
| C21 | C22 | C23 | H37 | 1.6° | 0.0° |
| C21 | C22 | C24 | C26 | 177.4° | 179.9° |
| C21 | C22 | C24 | H38 | 2.7° | 0.1° |
| H35 | C21 | C22 | C23 | 172.0° | 18.7° |
| H35 | C21 | C22 | C24 | 6.1° | 161.1° |
| H36 | C21 | C22 | C23 | 53.1° | 138.7° |
| H36 | C21 | C22 | C24 | 125.0° | 41.1° |
| C22 | C23 | C25 | H37 | 180.0° | 180.0° |
| C23 | C22 | C24 | C26 | 0.8° | 0.2° |
| C23 | C22 | C24 | H38 | 179.2° | 179.7° |
| C22 | C23 | C25 | C27 | 0.8° | 0.1° |
| C22 | C23 | C25 | H39 | 179.2° | 180.0° |
| C24 | C22 | C23 | C25 | 0.3° | 0.2° |
| C24 | C22 | C23 | H37 | 179.7° | 179.8° |
| C22 | C24 | C26 | H38 | 180.0° | 179.9° |
| C22 | C24 | C26 | C27 | 1.3° | 0.1° |
| C22 | C24 | C26 | H40 | 178.7° | 179.9° |
| C23 | C25 | C27 | H39 | 180.0° | 179.9° |
| C23 | C25 | C27 | C26 | 0.2° | 0.4° |
| C23 | C25 | C27 | O7 | 179.8° | 180.0° |
| H37 | C23 | C25 | C27 | 179.2° | 180.0° |
| H37 | C23 | C25 | H39 | 0.8° | 0.1° |
| C24 | C26 | C27 | C25 | 0.8° | 0.4° |
| C24 | C26 | C27 | H40 | 180.0° | 179.9° |
| C24 | C26 | C27 | O7 | 179.2° | 179.9° |
| H38 | C24 | C26 | C27 | 178.7° | 180.0° |
| H38 | C24 | C26 | H40 | 1.3° | 0.0° |
| C25 | C27 | C26 | O7 | 180.0° | 179.7° |
| C25 | C27 | C26 | H40 | 179.2° | 179.7° |
| C25 | C27 | O7 | H41 | 180.0° | 90.6° |
| H39 | C25 | C27 | C26 | 179.8° | 179.7° |
| H39 | C25 | C27 | O7 | 0.2° | 0.1° |
| C26 | C27 | O7 | H41 | 0.0° | 89.1° |
| H40 | C26 | C27 | O7 | 0.8° | 0.0° |
| C28 | N9 | H42 | C20 | 180.0° | 180.0° |
| N9 | C28 | C29 | H43 | 121.2° | 119.7° |
| N9 | C28 | C29 | H44 | 121.2° | 119.8° |
| N9 | C28 | H43 | H44 | 116.3° | 120.4° |
| N9 | C28 | C29 | O8 | 172.2° | 17.6° |
| N9 | C28 | C29 | N10 | 8.4° | 162.5° |
| H42 | N9 | C28 | C29 | 91.6° | 30.2° |
| H42 | N9 | C28 | H43 | 29.6° | 149.9° |
| H42 | N9 | C28 | H44 | 147.2° | 89.6° |
| C29 | C28 | H43 | H44 | 116.2° | 120.4° |
| C28 | C29 | O8 | N10 | 179.4° | 180.0° |
| C28 | C29 | N10 | C30 | 179.7° | 178.6° |
| C28 | C29 | N10 | H45 | 0.3° | 1.3° |
| C29 | C28 | N9 | C20 | 88.4° | 149.9° |
| H43 | C28 | C29 | O8 | 51.1° | 137.3° |
| H43 | C28 | N9 | C20 | 150.4° | 30.2° |
| H43 | C28 | C29 | N10 | 129.6° | 42.8° |
| H44 | C28 | C29 | O8 | 66.6° | 102.2° |
| H44 | C28 | N9 | C20 | 32.8° | 90.4° |
| H44 | C28 | C29 | N10 | 112.8° | 77.8° |
| O8 | C29 | N10 | C30 | 0.3° | 1.3° |
| O8 | C29 | N10 | H45 | 179.7° | 178.7° |
| C30 | N10 | H45 | C29 | 180.0° | 180.0° |
| N10 | C30 | C31 | C32 | 119.8° | 119.7° |
| N10 | C30 | C31 | H46 | 122.6° | 119.8° |
| N10 | C30 | C32 | H46 | 121.9° | 120.6° |
| N10 | C30 | C31 | O9 | 46.1° | 18.4° |
| N10 | C30 | C32 | C33 | 67.5° | 176.4° |
| N10 | C30 | C32 | H47 | 53.3° | 63.6° |
| N10 | C30 | C32 | H48 | 171.8° | 56.4° |
| N10 | C30 | C31 | N11 | 140.7° | 161.7° |
| H45 | N10 | C30 | C31 | 92.0° | 40.4° |
| H45 | N10 | C30 | C32 | 24.8° | 160.0° |
| H45 | N10 | C30 | H46 | 145.9° | 79.4° |
| C31 | C30 | C32 | H46 | 117.8° | 120.5° |
| C30 | C31 | O9 | N11 | 172.7° | 179.9° |
| C31 | C30 | C32 | C33 | 172.2° | 57.5° |
| C31 | C30 | C32 | H47 | 67.0° | 177.5° |
| C31 | C30 | C32 | H48 | 51.5° | 62.6° |
| C30 | C31 | N11 | C39 | 170.4° | 179.2° |
| C30 | C31 | N11 | H54 | 9.6° | 0.8° |
| C31 | C30 | N10 | C29 | 88.0° | 139.7° |
| C32 | C30 | C31 | O9 | 73.7° | 138.1° |
| C30 | C32 | C33 | H47 | 120.8° | 119.9° |
| C30 | C32 | C33 | H48 | 120.8° | 120.0° |
| C30 | C32 | H47 | H48 | 117.6° | 120.0° |
| C30 | C32 | C33 | C34 | 83.4° | 61.3° |
| C30 | C32 | C33 | C35 | 100.8° | 119.0° |
| C32 | C30 | N10 | C29 | 155.2° | 20.0° |
| C32 | C30 | C31 | N11 | 99.5° | 42.0° |
| H46 | C30 | C31 | O9 | 168.7° | 101.4° |
| H46 | C30 | C32 | C33 | 54.5° | 63.0° |
| H46 | C30 | C32 | H47 | 175.2° | 56.9° |
| H46 | C30 | C32 | H48 | 66.3° | 176.9° |
| H46 | C30 | N10 | C29 | 34.1° | 100.5° |
| H46 | C30 | C31 | N11 | 18.0° | 78.5° |
| O9 | C31 | N11 | C39 | 2.5° | 0.9° |
| O9 | C31 | N11 | H54 | 177.5° | 179.1° |
| C33 | C32 | H47 | H48 | 117.6° | 120.1° |
| C32 | C33 | C34 | C35 | 175.9° | 179.7° |
| C32 | C33 | C34 | C36 | 178.7° | 180.0° |
| C32 | C33 | C34 | H49 | 1.4° | 0.0° |
| C32 | C33 | C35 | C37 | 179.7° | 180.0° |
| C32 | C33 | C35 | H50 | 0.3° | 0.0° |
| H47 | C32 | C33 | C34 | 155.9° | 58.6° |
| H47 | C32 | C33 | C35 | 20.0° | 121.0° |
| H48 | C32 | C33 | C34 | 37.4° | 178.7° |
| H48 | C32 | C33 | C35 | 138.5° | 1.0° |
| C33 | C34 | C36 | H49 | 180.0° | 180.0° |
| C34 | C33 | C35 | C37 | 3.8° | 0.3° |
| C34 | C33 | C35 | H50 | 176.2° | 179.7° |
| C33 | C34 | C36 | C38 | 0.8° | 0.1° |
| C33 | C34 | C36 | H51 | 179.2° | 180.0° |
| C35 | C33 | C34 | C36 | 2.8° | 0.3° |
| C35 | C33 | C34 | H49 | 177.3° | 179.7° |
| C33 | C35 | C37 | H50 | 180.0° | 180.0° |
| C33 | C35 | C37 | C38 | 2.8° | 0.1° |
| C33 | C35 | C37 | H52 | 177.2° | 180.0° |
| C34 | C36 | C38 | H51 | 180.0° | 179.9° |
| C34 | C36 | C38 | C37 | 0.2° | 0.1° |
| C34 | C36 | C38 | H53 | 179.8° | 180.0° |
| H49 | C34 | C36 | C38 | 179.3° | 179.9° |
| H49 | C34 | C36 | H51 | 0.8° | 0.0° |
| C35 | C37 | C38 | C36 | 0.8° | 0.2° |
| C35 | C37 | C38 | H52 | 180.0° | 179.9° |
| C35 | C37 | C38 | H53 | 179.2° | 179.9° |
| H50 | C35 | C37 | C38 | 177.2° | 179.9° |
| H50 | C35 | C37 | H52 | 2.8° | 0.0° |
| C36 | C38 | C37 | H53 | 180.0° | 179.9° |
| C36 | C38 | C37 | H52 | 179.2° | 179.8° |
| H51 | C36 | C38 | C37 | 179.8° | 179.8° |
| H51 | C36 | C38 | H53 | 0.2° | 0.1° |
| H52 | C37 | C38 | H53 | 0.8° | 0.1° |
| C39 | N11 | H54 | C31 | 180.0° | 180.0° |
| N11 | C39 | C40 | C41 | 119.3° | 119.6° |
| N11 | C39 | C40 | H55 | 119.7° | 119.6° |
| N11 | C39 | C41 | H55 | 123.0° | 120.6° |
| N11 | C39 | C40 | O10 | 11.0° | 19.2° |
| N11 | C39 | C41 | C42 | 80.1° | 65.0° |
| N11 | C39 | C41 | H56 | 40.5° | 55.0° |
| N11 | C39 | C41 | H57 | 159.3° | 175.0° |
| N11 | C39 | C40 | N13 | 169.9° | 160.8° |
| H54 | N11 | C39 | C40 | 99.1° | 32.9° |
| H54 | N11 | C39 | C41 | 19.5° | 86.8° |
| H54 | N11 | C39 | H55 | 141.9° | 152.6° |
| C40 | C39 | C41 | H55 | 120.9° | 120.7° |
| C39 | C40 | O10 | N13 | 179.0° | 180.0° |
| C40 | C39 | C41 | C42 | 163.8° | 176.3° |
| C40 | C39 | C41 | H56 | 75.6° | 63.6° |
| C40 | C39 | C41 | H57 | 43.2° | 56.4° |
| C39 | C40 | N13 | C45 | 178.9° | 179.6° |
| C39 | C40 | N13 | H67 | 1.2° | 0.4° |
| C40 | C39 | N11 | C31 | 80.9° | 147.1° |
| C41 | C39 | C40 | O10 | 108.3° | 100.4° |
| C39 | C41 | C42 | H56 | 120.6° | 120.0° |
| C39 | C41 | C42 | H57 | 120.6° | 120.0° |
| C39 | C41 | H56 | H57 | 118.2° | 120.0° |
| C39 | C41 | C42 | C43 | 161.0° | 180.0° |
| C39 | C41 | C42 | H58 | 78.6° | 60.0° |
| C39 | C41 | C42 | H59 | 40.6° | 60.0° |
| C41 | C39 | N11 | C31 | 160.5° | 93.3° |
| C41 | C39 | C40 | N13 | 70.7° | 79.6° |
| H55 | C39 | C40 | O10 | 130.7° | 138.8° |
| H55 | C39 | C41 | C42 | 42.9° | 55.6° |
| H55 | C39 | C41 | H56 | 163.5° | 175.7° |
| H55 | C39 | C41 | H57 | 77.7° | 64.3° |
| H55 | C39 | N11 | C31 | 38.1° | 27.4° |
| H55 | C39 | C40 | N13 | 50.2° | 41.1° |
| O10 | C40 | N13 | C45 | 2.1° | 0.3° |
| O10 | C40 | N13 | H67 | 177.9° | 179.6° |
| C42 | C41 | H56 | H57 | 118.3° | 120.0° |
| C41 | C42 | C43 | H58 | 120.4° | 120.0° |
| C41 | C42 | C43 | H59 | 120.4° | 120.0° |
| C41 | C42 | H58 | H59 | 118.8° | 120.0° |
| C41 | C42 | C43 | C44 | 86.7° | 180.0° |
| C41 | C42 | C43 | H60 | 152.5° | 60.0° |
| C41 | C42 | C43 | H61 | 34.1° | 60.0° |
| H56 | C41 | C42 | C43 | 40.4° | 60.0° |
| H56 | C41 | C42 | H58 | 160.8° | 180.0° |
| H56 | C41 | C42 | H59 | 80.0° | 60.0° |
| H57 | C41 | C42 | C43 | 78.5° | 60.0° |
| H57 | C41 | C42 | H58 | 41.9° | 59.9° |
| H57 | C41 | C42 | H59 | 161.1° | 179.9° |
| C43 | C42 | H58 | H59 | 118.8° | 120.0° |
| C42 | C43 | C44 | H60 | 120.8° | 120.0° |
| C42 | C43 | C44 | H61 | 120.8° | 119.9° |
| C42 | C43 | H60 | H61 | 117.6° | 120.0° |
| C42 | C43 | C44 | N12 | 177.3° | 180.0° |
| C42 | C43 | C44 | H62 | 62.3° | 59.9° |
| C42 | C43 | C44 | H63 | 56.9° | 60.0° |
| H58 | C42 | C43 | C44 | 33.7° | 59.9° |
| H58 | C42 | C43 | H60 | 87.1° | 180.0° |
| H58 | C42 | C43 | H61 | 154.5° | 60.0° |
| H59 | C42 | C43 | C44 | 152.9° | 60.0° |
| H59 | C42 | C43 | H60 | 32.1° | 60.0° |
| H59 | C42 | C43 | H61 | 86.3° | 179.9° |
| C44 | C43 | H60 | H61 | 117.6° | 120.0° |
| C43 | C44 | N12 | H62 | 120.4° | 120.1° |
| C43 | C44 | N12 | H63 | 120.4° | 119.9° |
| C43 | C44 | H62 | H63 | 118.8° | 119.9° |
| C43 | C44 | N12 | H64 | 180.0° | 60.0° |
| C43 | C44 | N12 | H65 | 60.0° | 60.1° |
| C43 | C44 | N12 | H66 | 60.0° | 180.0° |
| H60 | C43 | C44 | N12 | 56.6° | 60.0° |
| H60 | C43 | C44 | H62 | 177.0° | 180.0° |
| H60 | C43 | C44 | H63 | 63.8° | 60.0° |
| H61 | C43 | C44 | N12 | 61.9° | 60.1° |
| H61 | C43 | C44 | H62 | 58.5° | 60.0° |
| H61 | C43 | C44 | H63 | 177.7° | 179.9° |
| N12 | C44 | H62 | H63 | 118.9° | 120.0° |
| C44 | N12 | H64 | H65 | 120.0° | 120.0° |
| C44 | N12 | H64 | H66 | 120.0° | 120.0° |
| C44 | N12 | H65 | H66 | 120.0° | 120.0° |
| H62 | C44 | N12 | H64 | 59.6° | 180.0° |
| H62 | C44 | N12 | H65 | 179.6° | 60.0° |
| H62 | C44 | N12 | H66 | 60.4° | 60.0° |
| H63 | C44 | N12 | H64 | 59.6° | 60.0° |
| H63 | C44 | N12 | H65 | 60.4° | 180.0° |
| H63 | C44 | N12 | H66 | 179.6° | 60.1° |
| H64 | N12 | H65 | H66 | 120.0° | 120.0° |
| C45 | N13 | H67 | C40 | 180.0° | 180.0° |
| N13 | C45 | C46 | C47 | 122.0° | 120.0° |
| N13 | C45 | C46 | H68 | 120.6° | 120.0° |
| N13 | C45 | C47 | H68 | 118.1° | 120.1° |
| N13 | C45 | C46 | O11 | 29.9° | 35.1° |
| N13 | C45 | C47 | C48 | 67.7° | 159.9° |
| N13 | C45 | C47 | H69 | 53.1° | 39.8° |
| N13 | C45 | C47 | H70 | 171.6° | 80.2° |
| N13 | C45 | C46 | N15 | 149.7° | 145.0° |
| H67 | N13 | C45 | C46 | 66.4° | 13.3° |
| H67 | N13 | C45 | C47 | 55.9° | 133.3° |
| H67 | N13 | C45 | H68 | 173.5° | 106.6° |
| C46 | C45 | C47 | H68 | 117.3° | 120.1° |
| C45 | C46 | O11 | N15 | 179.6° | 179.9° |
| C46 | C45 | C47 | C48 | 167.7° | 80.3° |
| C46 | C45 | C47 | H69 | 71.5° | 159.6° |
| C46 | C45 | C47 | H70 | 46.9° | 39.7° |
| C45 | C46 | N15 | C56 | 179.3° | 174.5° |
| C45 | C46 | N15 | H77 | 0.6° | 5.5° |
| C46 | C45 | N13 | C40 | 113.6° | 166.7° |
| C47 | C45 | C46 | O11 | 92.1° | 155.1° |
| C45 | C47 | C48 | H69 | 120.8° | 120.1° |
| C45 | C47 | C48 | H70 | 120.8° | 120.0° |
| C45 | C47 | H69 | H70 | 117.6° | 120.0° |
| C45 | C47 | C48 | C49 | 81.6° | 96.4° |
| C45 | C47 | C48 | C50 | 105.4° | 83.3° |
| C47 | C45 | N13 | C40 | 124.2° | 46.8° |
| C47 | C45 | C46 | N15 | 88.3° | 25.0° |
| H68 | C45 | C46 | O11 | 150.5° | 84.8° |
| H68 | C45 | C47 | C48 | 50.4° | 39.8° |
| H68 | C45 | C47 | H69 | 171.2° | 80.3° |
| H68 | C45 | C47 | H70 | 70.4° | 159.7° |
| H68 | C45 | N13 | C40 | 6.5° | 73.3° |
| H68 | C45 | C46 | N15 | 29.1° | 95.1° |
| O11 | C46 | N15 | C56 | 1.1° | 5.4° |
| O11 | C46 | N15 | H77 | 178.9° | 174.6° |
| C48 | C47 | H69 | H70 | 117.6° | 120.0° |
| C47 | C48 | C49 | C50 | 174.1° | 179.7° |
| C47 | C48 | C49 | N14 | 175.7° | 180.0° |
| C47 | C48 | C49 | H71 | 4.3° | 0.1° |
| C47 | C48 | C50 | C51 | 176.6° | 180.0° |
| C47 | C48 | C50 | C52 | 7.0° | 0.0° |
| H69 | C47 | C48 | C49 | 39.2° | 143.6° |
| H69 | C47 | C48 | C50 | 133.8° | 36.8° |
| H70 | C47 | C48 | C49 | 157.6° | 23.6° |
| H70 | C47 | C48 | C50 | 15.3° | 156.7° |
| C48 | C49 | N14 | H71 | 180.0° | 179.9° |
| C49 | C48 | C50 | C51 | 2.5° | 0.3° |
| C49 | C48 | C50 | C52 | 178.9° | 179.7° |
| C48 | C49 | N14 | C51 | 0.1° | 0.1° |
| C48 | C49 | N14 | H72 | 180.0° | 179.9° |
| C50 | C48 | C49 | N14 | 1.6° | 0.3° |
| C50 | C48 | C49 | H71 | 178.4° | 179.8° |
| C48 | C50 | C51 | C52 | 177.0° | 180.0° |
| C48 | C50 | C51 | N14 | 2.4° | 0.2° |
| C48 | C50 | C51 | C53 | 179.6° | 180.0° |
| C48 | C50 | C52 | C54 | 179.6° | 179.9° |
| C48 | C50 | C52 | H73 | 0.4° | 0.0° |
| C49 | N14 | C51 | C50 | 1.5° | 0.1° |
| C49 | N14 | C51 | H72 | 180.0° | 180.0° |
| C49 | N14 | C51 | C53 | 179.3° | 179.8° |
| H71 | C49 | N14 | C51 | 179.9° | 179.9° |
| H71 | C49 | N14 | H72 | 0.1° | 0.0° |
| C50 | C51 | N14 | C53 | 177.8° | 179.7° |
| C50 | C51 | N14 | H72 | 178.5° | 179.9° |
| C51 | C50 | C52 | C54 | 3.6° | 0.0° |
| C51 | C50 | C52 | H73 | 176.4° | 180.0° |
| C50 | C51 | C53 | C55 | 1.3° | 0.0° |
| C50 | C51 | C53 | H74 | 178.7° | 180.0° |
| C52 | C50 | C51 | N14 | 179.5° | 179.8° |
| C52 | C50 | C51 | C53 | 2.5° | 0.0° |
| C50 | C52 | C54 | H73 | 180.0° | 179.9° |
| C50 | C52 | C54 | C55 | 3.6° | 0.1° |
| C50 | C52 | C54 | H75 | 176.4° | 180.0° |
| N14 | C51 | C53 | C55 | 178.8° | 179.7° |
| N14 | C51 | C53 | H74 | 1.2° | 0.3° |
| H72 | N14 | C51 | C53 | 0.7° | 0.2° |
| C51 | C53 | C55 | H74 | 180.0° | 180.0° |
| C51 | C53 | C55 | C54 | 1.2° | 0.1° |
| C51 | C53 | C55 | H76 | 178.8° | 180.0° |
| C52 | C54 | C55 | C53 | 2.4° | 0.2° |
| C52 | C54 | C55 | H75 | 180.0° | 179.9° |
| C52 | C54 | C55 | H76 | 177.6° | 180.0° |
| H73 | C52 | C54 | C55 | 176.4° | 179.9° |
| H73 | C52 | C54 | H75 | 3.6° | 0.1° |
| C53 | C55 | C54 | H76 | 180.0° | 179.9° |
| C53 | C55 | C54 | H75 | 177.6° | 180.0° |
| H74 | C53 | C55 | C54 | 178.8° | 179.9° |
| H74 | C53 | C55 | H76 | 1.2° | 0.1° |
| H75 | C54 | C55 | H76 | 2.5° | 0.1° |
| C56 | N15 | H77 | C46 | 180.0° | 179.9° |
| N15 | C56 | C57 | C58 | 124.2° | 120.0° |
| N15 | C56 | C57 | H78 | 117.9° | 119.9° |
| N15 | C56 | C58 | H78 | 118.8° | 120.0° |
| N15 | C56 | C57 | O12 | 64.1° | 39.2° |
| N15 | C56 | C58 | C59 | 174.7° | 65.0° |
| N15 | C56 | C58 | H79 | 64.8° | 55.0° |
| N15 | C56 | C58 | H80 | 54.2° | 175.0° |
| N15 | C56 | C57 | N18 | 81.9° | 140.8° |
| H77 | N15 | C56 | C57 | 55.4° | 52.8° |
| H77 | N15 | C56 | C58 | 68.6° | 67.2° |
| H77 | N15 | C56 | H78 | 172.9° | 172.7° |
| C57 | C56 | C58 | H78 | 117.9° | 120.1° |
| C56 | C57 | O12 | N18 | 149.2° | 179.9° |
| C57 | C56 | C58 | C59 | 51.5° | 175.2° |
| C57 | C56 | C58 | H79 | 172.0° | 64.8° |
| C57 | C56 | C58 | H80 | 69.0° | 55.2° |
| C56 | C57 | N18 | C62 | 169.2° | 175.5° |
| C56 | C57 | N18 | H85 | 10.8° | 4.5° |
| C57 | C56 | N15 | C46 | 124.6° | 127.2° |
| C58 | C56 | C57 | O12 | 60.2° | 159.2° |
| C56 | C58 | C59 | H79 | 120.5° | 120.0° |
| C56 | C58 | C59 | H80 | 120.5° | 120.0° |
| C56 | C58 | H79 | H80 | 118.5° | 120.0° |
| C56 | C58 | C59 | N16 | 101.0° | 95.0° |
| C56 | C58 | C59 | C60 | 77.5° | 85.3° |
| C58 | C56 | N15 | C46 | 111.4° | 112.8° |
| C58 | C56 | C57 | N18 | 153.9° | 20.9° |
| H78 | C56 | C57 | O12 | 178.1° | 80.7° |
| H78 | C56 | C58 | C59 | 66.5° | 55.1° |
| H78 | C56 | C58 | H79 | 54.0° | 175.1° |
| H78 | C56 | C58 | H80 | 173.0° | 64.9° |
| H78 | C56 | N15 | C46 | 7.1° | 7.3° |
| H78 | C56 | C57 | N18 | 36.0° | 99.3° |
| O12 | C57 | N18 | C62 | 21.8° | 4.5° |
| O12 | C57 | N18 | H85 | 158.2° | 175.5° |
| C59 | C58 | H79 | H80 | 118.5° | 119.9° |
| C58 | C59 | N16 | C60 | 178.9° | 179.8° |
| C58 | C59 | N16 | C61 | 179.6° | 180.0° |
| C58 | C59 | N16 | H81 | 0.4° | 0.0° |
| C58 | C59 | C60 | N17 | 179.4° | 180.0° |
| C58 | C59 | C60 | H82 | 0.7° | 0.1° |
| H79 | C58 | C59 | N16 | 19.5° | 25.1° |
| H79 | C58 | C59 | C60 | 162.0° | 154.7° |
| H80 | C58 | C59 | N16 | 138.5° | 145.0° |
| H80 | C58 | C59 | C60 | 43.0° | 34.8° |
| C59 | N16 | C61 | H81 | 180.0° | 180.0° |
| N16 | C59 | C60 | N17 | 0.6° | 0.2° |
| N16 | C59 | C60 | H82 | 179.4° | 179.7° |
| C59 | N16 | C61 | N17 | 0.5° | 0.2° |
| C59 | N16 | C61 | H83 | 179.5° | 179.9° |
| C60 | C59 | N16 | C61 | 0.7° | 0.2° |
| C60 | C59 | N16 | H81 | 179.3° | 179.8° |
| C59 | C60 | N17 | H82 | 180.0° | 179.9° |
| C59 | C60 | N17 | C61 | 0.4° | 0.1° |
| C59 | C60 | N17 | H84 | 179.6° | 179.9° |
| N16 | C61 | N17 | C60 | 0.1° | 0.0° |
| N16 | C61 | N17 | H83 | 180.0° | 179.7° |
| N16 | C61 | N17 | H84 | 179.9° | 179.8° |
| H81 | N16 | C61 | N17 | 179.5° | 179.9° |
| H81 | N16 | C61 | H83 | 0.5° | 0.1° |
| C60 | N17 | C61 | H84 | 180.0° | 179.8° |
| C60 | N17 | C61 | H83 | 179.9° | 179.8° |
| H82 | C60 | N17 | C61 | 179.7° | 179.8° |
| H82 | C60 | N17 | H84 | 0.3° | 0.0° |
| H83 | C61 | N17 | H84 | 0.1° | 0.1° |
| C62 | N18 | H85 | C57 | 180.0° | 180.0° |
| N18 | C62 | C63 | H86 | 122.4° | 120.1° |
| N18 | C62 | C63 | C75 | 120.8° | 119.7° |
| N18 | C62 | H86 | C75 | 125.0° | 119.7° |
| N18 | C62 | C63 | O13 | 15.1° | 93.1° |
| N18 | C62 | C75 | N26 | 39.7° | 158.6° |
| N18 | C62 | C75 | H100 | 160.3° | 38.4° |
| N18 | C62 | C75 | H101 | 80.9° | 81.3° |
| N18 | C62 | C63 | N19 | 164.0° | 86.9° |
| H85 | N18 | C62 | C63 | 88.4° | 178.4° |
| H85 | N18 | C62 | H86 | 149.5° | 61.5° |
| H85 | N18 | C62 | C75 | 26.4° | 58.5° |
| C63 | C62 | H86 | C75 | 112.5° | 120.1° |
| C62 | C63 | O13 | N19 | 179.0° | 180.0° |
| C62 | C63 | N19 | C64 | 167.1° | 175.1° |
| C62 | C63 | N19 | H87 | 12.9° | 4.9° |
| C63 | C62 | C75 | N26 | 159.1° | 81.5° |
| C63 | C62 | C75 | H100 | 80.3° | 158.3° |
| C63 | C62 | C75 | H101 | 38.5° | 38.6° |
| C63 | C62 | N18 | C57 | 91.6° | 1.6° |
| H86 | C62 | C63 | O13 | 107.2° | 146.8° |
| H86 | C62 | C75 | N26 | 83.9° | 38.7° |
| H86 | C62 | C75 | H100 | 36.7° | 81.5° |
| H86 | C62 | C75 | H101 | 155.5° | 158.8° |
| H86 | C62 | N18 | C57 | 30.4° | 118.5° |
| H86 | C62 | C63 | N19 | 73.6° | 33.2° |
| O13 | C63 | N19 | C64 | 12.0° | 5.0° |
| O13 | C63 | N19 | H87 | 168.0° | 175.1° |
| O13 | C63 | C62 | C75 | 136.0° | 26.6° |
| C64 | N19 | H87 | C63 | 180.0° | 179.9° |
| N19 | C64 | C65 | H88 | 119.9° | 120.0° |
| N19 | C64 | C65 | H89 | 119.9° | 120.0° |
| N19 | C64 | H88 | H89 | 120.2° | 120.0° |
| N19 | C64 | C65 | O14 | 5.3° | 5.1° |
| N19 | C64 | C65 | N20 | 175.4° | 174.9° |
| H87 | N19 | C64 | C65 | 121.8° | 5.0° |
| H87 | N19 | C64 | H88 | 1.8° | 115.0° |
| H87 | N19 | C64 | H89 | 118.3° | 125.0° |
| C65 | C64 | H88 | H89 | 120.2° | 120.0° |
| C64 | C65 | O14 | N20 | 179.2° | 180.0° |
| C64 | C65 | N20 | C66 | 175.5° | 175.0° |
| C64 | C65 | N20 | H90 | 4.5° | 5.0° |
| C65 | C64 | N19 | C63 | 58.2° | 175.0° |
| H88 | C64 | C65 | O14 | 114.6° | 125.1° |
| H88 | C64 | N19 | C63 | 178.2° | 65.0° |
| H88 | C64 | C65 | N20 | 64.6° | 55.0° |
| H89 | C64 | C65 | O14 | 125.3° | 115.0° |
| H89 | C64 | N19 | C63 | 61.7° | 54.9° |
| H89 | C64 | C65 | N20 | 55.5° | 65.0° |
| O14 | C65 | N20 | C66 | 3.7° | 5.0° |
| O14 | C65 | N20 | H90 | 176.3° | 175.0° |
| C66 | N20 | H90 | C65 | 180.0° | 180.0° |
| N20 | C66 | C67 | H91 | 120.8° | 119.9° |
| N20 | C66 | C67 | H92 | 120.7° | 120.0° |
| N20 | C66 | H91 | H92 | 117.7° | 120.1° |
| N20 | C66 | C67 | O15 | 28.9° | 5.1° |
| N20 | C66 | C67 | N21 | 150.8° | 174.9° |
| H90 | N20 | C66 | C67 | 103.8° | 5.0° |
| H90 | N20 | C66 | H91 | 17.0° | 114.9° |
| H90 | N20 | C66 | H92 | 135.5° | 125.0° |
| C67 | C66 | H91 | H92 | 117.7° | 120.0° |
| C66 | C67 | O15 | N21 | 179.7° | 179.9° |
| C66 | C67 | N21 | H93 | 179.7° | 0.0° |
| C66 | C67 | N21 | H94 | 0.3° | 179.9° |
| C67 | C66 | N20 | C65 | 76.2° | 175.0° |
| H91 | C66 | C67 | O15 | 149.7° | 125.0° |
| H91 | C66 | N20 | C65 | 163.0° | 65.1° |
| H91 | C66 | C67 | N21 | 30.0° | 55.0° |
| H92 | C66 | C67 | O15 | 91.8° | 114.9° |
| H92 | C66 | N20 | C65 | 44.5° | 55.0° |
| H92 | C66 | C67 | N21 | 88.5° | 65.0° |
| O15 | C67 | N21 | H93 | 0.0° | 179.9° |
| O15 | C67 | N21 | H94 | 180.0° | 0.0° |
| H93 | N21 | H94 | C67 | 180.0° | 179.9° |
| C75 | N26 | N23 | C74 | 177.1° | 178.8° |
| C75 | N26 | N23 | N27 | 176.1° | 176.7° |
| C75 | N26 | C74 | C73 | 175.6° | 175.9° |
| C75 | N26 | C74 | H99 | 4.4° | 4.1° |
| N26 | C75 | H100 | H101 | 118.3° | 119.9° |
| N26 | C75 | H100 | C62 | 123.4° | 120.4° |
| N26 | C75 | H101 | C62 | 123.4° | 120.4° |
| N26 | N23 | N27 | C73 | 0.4° | 0.5° |
| N23 | N26 | C74 | C73 | 1.2° | 2.9° |
| N23 | N26 | C74 | H99 | 178.9° | 177.1° |
| N23 | N26 | C75 | H100 | 148.7° | 32.4° |
| N23 | N26 | C75 | H101 | 29.8° | 152.2° |
| N23 | N26 | C75 | C62 | 90.8° | 87.7° |
| N27 | N23 | N26 | C74 | 1.0° | 2.1° |
| N23 | N27 | C73 | C74 | 0.3° | 1.4° |
| N23 | N27 | C73 | C72 | 177.6° | 179.5° |
| N26 | C74 | C73 | N27 | 0.9° | 2.6° |
| N26 | C74 | C73 | H99 | 180.0° | 180.0° |
| N26 | C74 | C73 | C72 | 176.7° | 178.4° |
| C74 | N26 | C75 | H100 | 27.9° | 146.2° |
| C74 | N26 | C75 | H101 | 146.7° | 26.4° |
| C74 | N26 | C75 | C62 | 92.7° | 93.7° |
| N27 | C73 | C74 | C72 | 177.6° | 179.1° |
| N27 | C73 | C72 | C71 | 171.3° | 11.7° |
| N27 | C73 | C72 | C77 | 5.8° | 167.8° |
| N27 | C73 | C74 | H99 | 179.1° | 177.4° |
| C74 | C73 | C72 | C71 | 6.0° | 169.4° |
| C74 | C73 | C72 | C77 | 176.9° | 11.1° |
| C73 | C72 | C71 | C77 | 177.0° | 179.5° |
| C73 | C72 | C71 | C76 | 176.3° | 180.0° |
| C73 | C72 | C77 | C70 | 176.6° | 179.1° |
| C73 | C72 | C71 | H98 | 3.8° | 0.1° |
| C72 | C73 | C74 | H99 | 3.3° | 1.6° |
| C73 | C72 | C77 | H103 | 3.4° | 0.9° |
| O17 | C80 | C76 | C71 | 0.2° | 0.1° |
| O17 | C80 | C76 | O16 | 178.4° | 179.9° |
| O17 | C80 | C76 | C78 | 178.5° | 179.9° |
| O17 | C80 | O16 | H102 | 0.0° | 0.0° |
| C72 | C71 | C76 | H98 | 180.0° | 179.9° |
| C72 | C71 | C76 | C80 | 177.6° | 179.3° |
| C72 | C71 | C76 | C78 | 0.8° | 0.5° |
| C71 | C72 | C77 | C70 | 0.5° | 0.4° |
| C71 | C72 | C77 | H103 | 179.5° | 179.7° |
| C76 | C71 | C72 | C77 | 0.8° | 0.5° |
| C71 | C76 | C80 | C78 | 178.3° | 179.8° |
| C71 | C76 | C80 | O16 | 178.2° | 180.0° |
| C71 | C76 | C78 | C70 | 0.5° | 0.3° |
| C71 | C76 | C78 | H104 | 179.5° | 179.7° |
| C72 | C77 | C70 | H103 | 180.0° | 180.0° |
| C72 | C77 | C70 | C78 | 0.2° | 1.2° |
| C72 | C77 | C70 | C79 | 180.0° | 179.2° |
| C77 | C72 | C71 | H98 | 179.2° | 179.4° |
| C80 | C76 | C78 | C70 | 177.8° | 179.9° |
| C80 | C76 | C71 | H98 | 2.5° | 0.8° |
| C76 | C80 | O16 | H102 | 178.3° | 179.9° |
| C80 | C76 | C78 | H104 | 2.2° | 0.2° |
| O16 | C80 | C76 | C78 | 0.1° | 0.2° |
| C76 | C78 | C70 | C77 | 0.2° | 1.2° |
| C76 | C78 | C70 | H104 | 180.0° | 180.0° |
| C76 | C78 | C70 | C79 | 180.0° | 179.2° |
| C78 | C76 | C71 | H98 | 179.2° | 179.3° |
| C77 | C70 | C78 | C79 | 179.8° | 179.6° |
| C77 | C70 | C79 | N22 | 166.9° | 176.5° |
| C77 | C70 | C79 | C69 | 10.7° | 3.1° |
| C77 | C70 | C78 | H104 | 179.8° | 178.8° |
| C78 | C70 | C79 | N22 | 13.3° | 3.9° |
| C78 | C70 | C79 | C69 | 169.0° | 176.5° |
| C78 | C70 | C77 | H103 | 179.8° | 178.8° |
| C70 | C79 | N22 | C69 | 178.1° | 179.7° |
| C70 | C79 | N22 | N25 | 177.9° | 179.0° |
| C70 | C79 | C69 | N24 | 177.5° | 177.8° |
| C70 | C79 | C69 | H97 | 2.5° | 2.2° |
| C79 | C70 | C77 | H103 | 0.0° | 0.8° |
| C79 | C70 | C78 | H104 | 0.0° | 0.9° |
| N22 | C79 | C69 | N24 | 0.5° | 2.6° |
| C79 | N22 | N25 | N24 | 0.1° | 0.6° |
| N22 | C79 | C69 | H97 | 179.5° | 177.5° |
| C69 | C79 | N22 | N25 | 0.2° | 1.3° |
| C79 | C69 | N24 | H97 | 180.0° | 179.9° |
| C79 | C69 | N24 | N25 | 0.6° | 3.0° |
| C79 | C69 | N24 | C68 | 176.7° | 174.9° |
| N22 | N25 | N24 | C69 | 0.4° | 2.2° |
| N22 | N25 | N24 | C68 | 177.0° | 175.7° |
| C69 | N24 | N25 | C68 | 177.5° | 177.9° |
| C69 | N24 | C68 | H95 | 4.4° | 73.0° |
| C69 | N24 | C68 | H96 | 115.9° | 168.3° |
| C69 | N24 | C68 | C5 | 124.3° | 47.6° |
| N25 | N24 | C68 | H95 | 178.5° | 104.6° |
| N25 | N24 | C68 | H96 | 61.1° | 14.2° |
| N25 | N24 | C69 | H97 | 179.5° | 177.1° |
| N25 | N24 | C68 | C5 | 58.7° | 134.9° |
| N24 | C68 | H95 | H96 | 120.5° | 118.7° |
| N24 | C68 | H95 | C5 | 119.0° | 122.4° |
| N24 | C68 | H96 | C5 | 119.0° | 122.5° |
| C68 | N24 | C69 | H97 | 3.3° | 5.0° |
| H95 | C68 | H96 | C5 | 120.5° | 118.8° |
| H100 | C75 | H101 | C62 | 118.3° | 119.8° |
| C4 | N2 | C5 | C68 | 110.4° | 64.3° |
| N3 | C6 | C5 | C68 | 149.7° | 138.1° |
| C57 | N18 | C62 | C75 | 153.6° | 121.6° |
| N19 | C63 | C62 | C75 | 43.2° | 153.3° |
