PRD_000920
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.20Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| 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 | 1.51Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.24Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C9 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | C11 | doub | 1.38Å | 1.31Å | Aromatic |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.38Å | 1.36Å | Aromatic |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| N2 | C12 | sing | 1.46Å | 1.45Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | C15 | sing | 1.53Å | 1.52Å | |
| C13 | O3 | doub | 1.21Å | 1.24Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| N3 | C16 | sing | 1.47Å | 1.46Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C16 | C18 | sing | 1.53Å | 1.52Å | |
| C16 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | O4 | doub | 1.21Å | 1.23Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| N4 | C20 | sing | 1.47Å | 1.47Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.51Å | 1.55Å | |
| C20 | C22 | sing | 1.53Å | 1.54Å | |
| C20 | C23 | sing | 1.53Å | 1.51Å | |
| C21 | O5 | doub | 1.21Å | 1.22Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| N5 | C24 | sing | 1.47Å | 1.43Å | |
| N5 | H34 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.49Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | O6 | doub | 1.21Å | 1.24Å | |
| C26 | C27 | sing | 1.53Å | 1.49Å | |
| C26 | C28 | sing | 1.53Å | 1.45Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| N6 | C29 | sing | 1.47Å | 1.44Å | |
| N6 | H43 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C30 | O7 | doub | 1.21Å | 1.21Å | |
| N7 | C31 | sing | 1.47Å | 1.45Å | |
| N7 | H46 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C32 | O8 | doub | 1.21Å | 1.24Å | |
| C33 | C34 | sing | 1.53Å | 1.56Å | |
| C33 | H48 | sing | 1.09Å | 1.10Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| C34 | C36 | sing | 1.53Å | 1.51Å | |
| C34 | H50 | sing | 1.09Å | 1.10Å | |
| C35 | H51 | sing | 1.09Å | 1.10Å | |
| C35 | H52 | sing | 1.09Å | 1.10Å | |
| C35 | H53 | sing | 1.09Å | 1.10Å | |
| C36 | H54 | sing | 1.09Å | 1.10Å | |
| C36 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| N8 | C37 | sing | 1.46Å | 1.49Å | |
| N8 | H57 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.51Å | 1.53Å | |
| C37 | C39 | sing | 1.53Å | 1.52Å | |
| C37 | C40 | sing | 1.53Å | 1.52Å | |
| C38 | O9 | doub | 1.21Å | 1.23Å | |
| C39 | H58 | sing | 1.09Å | 1.10Å | |
| C39 | H59 | sing | 1.09Å | 1.10Å | |
| C39 | H60 | sing | 1.09Å | 1.10Å | |
| C40 | H61 | sing | 1.09Å | 1.10Å | |
| C40 | H62 | sing | 1.09Å | 1.10Å | |
| C40 | H63 | sing | 1.09Å | 1.10Å | |
| N9 | C41 | sing | 1.47Å | 1.48Å | |
| N9 | H64 | sing | 0.97Å | 1.00Å | |
| C41 | C42 | sing | 1.51Å | 1.51Å | |
| C41 | C43 | sing | 1.53Å | 1.55Å | |
| C41 | C44 | sing | 1.53Å | 1.52Å | |
| C42 | O10 | doub | 1.21Å | 1.25Å | |
| C43 | H65 | sing | 1.09Å | 1.10Å | |
| C43 | H66 | sing | 1.09Å | 1.10Å | |
| C43 | H67 | sing | 1.09Å | 1.10Å | |
| C44 | H68 | sing | 1.09Å | 1.10Å | |
| C44 | H69 | sing | 1.09Å | 1.10Å | |
| C44 | H70 | sing | 1.09Å | 1.10Å | |
| N10 | C45 | sing | 1.47Å | 1.46Å | |
| N10 | C49 | sing | 1.47Å | 1.47Å | |
| C45 | C46 | sing | 1.51Å | 1.52Å | |
| C45 | C47 | sing | 1.54Å | 1.55Å | |
| C45 | H71 | sing | 1.09Å | 1.10Å | |
| C46 | O11 | doub | 1.21Å | 1.22Å | |
| C47 | C48 | sing | 1.55Å | 1.51Å | |
| C47 | H72 | sing | 1.09Å | 1.10Å | |
| C47 | H73 | sing | 1.09Å | 1.10Å | |
| C48 | C49 | sing | 1.55Å | 1.49Å | |
| C48 | O12 | sing | 1.43Å | 1.44Å | |
| C48 | H74 | sing | 1.09Å | 1.10Å | |
| C49 | H75 | sing | 1.09Å | 1.10Å | |
| C49 | H76 | sing | 1.09Å | 1.10Å | |
| O12 | H77 | sing | 0.97Å | 0.95Å | |
| N11 | C50 | sing | 1.46Å | 1.43Å | |
| N11 | H78 | sing | 0.97Å | 1.00Å | |
| C50 | C51 | sing | 1.51Å | 1.53Å | |
| C50 | C52 | sing | 1.53Å | 1.52Å | |
| C50 | H79 | sing | 1.09Å | 1.10Å | |
| C51 | O13 | doub | 1.21Å | 1.25Å | |
| C52 | C53 | sing | 1.53Å | 1.54Å | |
| C52 | H80 | sing | 1.09Å | 1.10Å | |
| C52 | H81 | sing | 1.09Å | 1.10Å | |
| C53 | C54 | sing | 1.51Å | 1.49Å | |
| C53 | H82 | sing | 1.09Å | 1.10Å | |
| C53 | H83 | sing | 1.09Å | 1.10Å | |
| C54 | O14 | doub | 1.21Å | 1.24Å | |
| C54 | N12 | sing | 1.35Å | 1.32Å | |
| N12 | H84 | sing | 0.97Å | 1.00Å | |
| N12 | H85 | sing | 0.97Å | 1.00Å | |
| N13 | C55 | sing | 1.47Å | 1.47Å | |
| N13 | H86 | sing | 0.97Å | 1.00Å | |
| C55 | C56 | sing | 1.53Å | 1.54Å | |
| C55 | C58 | sing | 1.53Å | 1.54Å | |
| C55 | C59 | sing | 1.51Å | 1.54Å | |
| C56 | C57 | sing | 1.53Å | 1.52Å | |
| C56 | H87 | sing | 1.09Å | 1.10Å | |
| C56 | H88 | sing | 1.09Å | 1.10Å | |
| C57 | H89 | sing | 1.09Å | 1.10Å | |
| C57 | H90 | sing | 1.09Å | 1.10Å | |
| C57 | H91 | sing | 1.09Å | 1.10Å | |
| C58 | H92 | sing | 1.09Å | 1.10Å | |
| C58 | H93 | sing | 1.09Å | 1.10Å | |
| C58 | H94 | sing | 1.09Å | 1.10Å | |
| C59 | O15 | doub | 1.21Å | 1.23Å | |
| N14 | C60 | sing | 1.47Å | 1.47Å | |
| N14 | C64 | sing | 1.47Å | 1.48Å | |
| C60 | C61 | sing | 1.51Å | 1.49Å | |
| C60 | C62 | sing | 1.54Å | 1.52Å | |
| C60 | H95 | sing | 1.09Å | 1.10Å | |
| C61 | O16 | doub | 1.21Å | 1.25Å | |
| C62 | C63 | sing | 1.55Å | 1.53Å | |
| C62 | H96 | sing | 1.09Å | 1.10Å | |
| C62 | H97 | sing | 1.09Å | 1.10Å | |
| C63 | C64 | sing | 1.55Å | 1.52Å | |
| C63 | O17 | sing | 1.43Å | 1.41Å | |
| C63 | H98 | sing | 1.09Å | 1.10Å | |
| C64 | H99 | sing | 1.09Å | 1.10Å | |
| C64 | H100 | sing | 1.09Å | 1.10Å | |
| O17 | H101 | sing | 0.97Å | 0.95Å | |
| N15 | C65 | sing | 1.47Å | 1.48Å | |
| N15 | H102 | sing | 0.97Å | 1.00Å | |
| C65 | C66 | sing | 1.51Å | 1.52Å | |
| C65 | C67 | sing | 1.53Å | 1.53Å | |
| C65 | C68 | sing | 1.53Å | 1.52Å | |
| C66 | O18 | doub | 1.21Å | 1.25Å | |
| C67 | H103 | sing | 1.09Å | 1.10Å | |
| C67 | H104 | sing | 1.09Å | 1.10Å | |
| C67 | H105 | sing | 1.09Å | 1.10Å | |
| C68 | H106 | sing | 1.09Å | 1.10Å | |
| C68 | H107 | sing | 1.09Å | 1.10Å | |
| C68 | H108 | sing | 1.09Å | 1.10Å | |
| N16 | C69 | sing | 1.47Å | 1.44Å | |
| N16 | H109 | sing | 0.97Å | 1.00Å | |
| C69 | C70 | sing | 1.53Å | 1.52Å | |
| C69 | C71 | sing | 1.53Å | 1.52Å | |
| C69 | H110 | sing | 1.09Å | 1.10Å | |
| C70 | O19 | sing | 1.43Å | 1.43Å | |
| C70 | H111 | sing | 1.09Å | 1.10Å | |
| C70 | H112 | sing | 1.09Å | 1.10Å | |
| O19 | H113 | sing | 0.97Å | 0.95Å | |
| C71 | C72 | sing | 1.51Å | 1.51Å | |
| C71 | H114 | sing | 1.09Å | 1.10Å | |
| C71 | H115 | sing | 1.09Å | 1.10Å | |
| C72 | C73 | doub | 1.38Å | 1.40Å | Aromatic |
| C72 | C74 | sing | 1.38Å | 1.39Å | Aromatic |
| C73 | C75 | sing | 1.38Å | 1.37Å | Aromatic |
| C73 | H116 | sing | 1.08Å | 1.08Å | |
| C74 | C76 | doub | 1.38Å | 1.39Å | Aromatic |
| C74 | H117 | sing | 1.08Å | 1.08Å | |
| C75 | C77 | doub | 1.38Å | 1.39Å | Aromatic |
| C75 | H118 | sing | 1.08Å | 1.08Å | |
| C76 | C77 | sing | 1.38Å | 1.34Å | Aromatic |
| C76 | H119 | sing | 1.08Å | 1.08Å | |
| C77 | H120 | sing | 1.08Å | 1.08Å | |
| C1 | N1 | sing | 1.35Å | 1.35Å | |
| C4 | N2 | sing | 1.35Å | 1.34Å | |
| C13 | N3 | sing | 1.35Å | 1.35Å | |
| C17 | N4 | sing | 1.35Å | 1.33Å | |
| C21 | N5 | sing | 1.35Å | 1.35Å | |
| C25 | N6 | sing | 1.35Å | 1.35Å | |
| C30 | N7 | sing | 1.35Å | 1.35Å | |
| C32 | N8 | sing | 1.35Å | 1.33Å | |
| C38 | N9 | sing | 1.35Å | 1.34Å | |
| C42 | N10 | sing | 1.35Å | 1.35Å | |
| C46 | N11 | sing | 1.35Å | 1.34Å | |
| C51 | N13 | sing | 1.35Å | 1.33Å | |
| C59 | N14 | sing | 1.35Å | 1.34Å | |
| C61 | N15 | sing | 1.35Å | 1.35Å | |
| C66 | N16 | sing | 1.35Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 123.2° | 120.0° |
| O1 | C1 | N1 | 121.5° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 115.3° | 120.0° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| C3 | N1 | H4 | 119.3° | 120.0° |
| N1 | C3 | C4 | 114.5° | 109.5° |
| N1 | C3 | C5 | 111.3° | 109.4° |
| N1 | C3 | H5 | 106.8° | 109.5° |
| C3 | N1 | C1 | 121.4° | 120.1° |
| H4 | N1 | C1 | 119.3° | 120.0° |
| C4 | C3 | C5 | 111.7° | 109.4° |
| C4 | C3 | H5 | 106.1° | 109.5° |
| C3 | C4 | O2 | 117.6° | 120.0° |
| C3 | C4 | N2 | 120.9° | 120.0° |
| C5 | C3 | H5 | 105.9° | 109.5° |
| C3 | C5 | C6 | 112.1° | 109.4° |
| C3 | C5 | H6 | 108.8° | 109.5° |
| C3 | C5 | H7 | 108.8° | 109.4° |
| O2 | C4 | N2 | 121.5° | 120.0° |
| C6 | C5 | H6 | 108.8° | 109.5° |
| C6 | C5 | H7 | 108.8° | 109.5° |
| C5 | C6 | C7 | 123.9° | 120.0° |
| C5 | C6 | C8 | 119.1° | 120.0° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| C7 | C6 | C8 | 116.9° | 120.0° |
| C6 | C7 | C9 | 119.7° | 120.0° |
| C6 | C7 | H8 | 120.1° | 120.0° |
| C6 | C8 | C10 | 121.4° | 120.0° |
| C6 | C8 | H9 | 119.3° | 120.1° |
| C9 | C7 | H8 | 120.1° | 120.0° |
| C7 | C9 | C11 | 122.2° | 120.0° |
| C7 | C9 | H10 | 118.9° | 120.0° |
| C10 | C8 | H9 | 119.3° | 120.0° |
| C8 | C10 | C11 | 120.5° | 120.0° |
| C8 | C10 | H11 | 119.7° | 120.0° |
| C11 | C9 | H10 | 118.9° | 120.0° |
| C9 | C11 | C10 | 119.2° | 120.0° |
| C9 | C11 | H12 | 120.4° | 120.0° |
| C11 | C10 | H11 | 119.7° | 120.0° |
| C10 | C11 | H12 | 120.4° | 120.0° |
| C12 | N2 | H13 | 119.5° | 120.0° |
| N2 | C12 | C13 | 109.1° | 109.5° |
| N2 | C12 | C14 | 108.8° | 109.5° |
| N2 | C12 | C15 | 110.9° | 109.5° |
| C12 | N2 | C4 | 121.0° | 120.0° |
| H13 | N2 | C4 | 119.5° | 120.0° |
| C13 | C12 | C14 | 107.5° | 109.4° |
| C13 | C12 | C15 | 110.2° | 109.5° |
| C12 | C13 | O3 | 121.7° | 120.0° |
| C12 | C13 | N3 | 115.9° | 120.0° |
| C14 | C12 | C15 | 110.2° | 109.4° |
| C12 | C14 | H14 | 109.5° | 109.5° |
| C12 | C14 | H15 | 109.5° | 109.5° |
| C12 | C14 | H16 | 109.5° | 109.5° |
| C12 | C15 | H17 | 109.5° | 109.5° |
| C12 | C15 | H18 | 109.5° | 109.5° |
| C12 | C15 | H19 | 109.4° | 109.5° |
| O3 | C13 | N3 | 122.3° | 120.0° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H14 | C14 | H16 | 109.5° | 109.4° |
| H15 | C14 | H16 | 109.5° | 109.4° |
| H17 | C15 | H18 | 109.4° | 109.5° |
| H17 | C15 | H19 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| C16 | N3 | H20 | 119.0° | 120.0° |
| N3 | C16 | C17 | 109.9° | 109.5° |
| N3 | C16 | C18 | 108.2° | 109.5° |
| N3 | C16 | C19 | 109.7° | 109.5° |
| C16 | N3 | C13 | 122.0° | 120.0° |
| H20 | N3 | C13 | 119.0° | 120.0° |
| C17 | C16 | C18 | 107.9° | 109.4° |
| C17 | C16 | C19 | 111.1° | 109.5° |
| C16 | C17 | O4 | 120.8° | 120.0° |
| C16 | C17 | N4 | 117.4° | 120.0° |
| C18 | C16 | C19 | 110.1° | 109.5° |
| C16 | C18 | H21 | 109.5° | 109.5° |
| C16 | C18 | H22 | 109.5° | 109.5° |
| C16 | C18 | H23 | 109.5° | 109.5° |
| C16 | C19 | H24 | 109.5° | 109.5° |
| C16 | C19 | H25 | 109.4° | 109.5° |
| C16 | C19 | H26 | 109.4° | 109.4° |
| O4 | C17 | N4 | 121.7° | 120.0° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H21 | C18 | H23 | 109.5° | 109.4° |
| H22 | C18 | H23 | 109.4° | 109.5° |
| H24 | C19 | H25 | 109.4° | 109.5° |
| H24 | C19 | H26 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| C20 | N4 | H27 | 118.7° | 120.0° |
| N4 | C20 | C21 | 108.5° | 109.4° |
| N4 | C20 | C22 | 108.2° | 109.5° |
| N4 | C20 | C23 | 111.0° | 109.5° |
| C20 | N4 | C17 | 122.5° | 120.0° |
| H27 | N4 | C17 | 118.8° | 120.0° |
| C21 | C20 | C22 | 108.7° | 109.5° |
| C21 | C20 | C23 | 110.4° | 109.5° |
| C20 | C21 | O5 | 122.6° | 119.9° |
| C20 | C21 | N5 | 115.7° | 120.0° |
| C22 | C20 | C23 | 109.9° | 109.5° |
| C20 | C22 | H28 | 109.5° | 109.5° |
| C20 | C22 | H29 | 109.5° | 109.4° |
| C20 | C22 | H30 | 109.5° | 109.4° |
| C20 | C23 | H31 | 109.5° | 109.5° |
| C20 | C23 | H32 | 109.5° | 109.4° |
| C20 | C23 | H33 | 109.5° | 109.5° |
| O5 | C21 | N5 | 121.6° | 120.1° |
| H28 | C22 | H29 | 109.5° | 109.5° |
| H28 | C22 | H30 | 109.5° | 109.4° |
| H29 | C22 | H30 | 109.5° | 109.5° |
| H31 | C23 | H32 | 109.4° | 109.4° |
| H31 | C23 | H33 | 109.5° | 109.5° |
| H32 | C23 | H33 | 109.5° | 109.5° |
| C24 | N5 | H34 | 119.9° | 120.0° |
| N5 | C24 | C25 | 111.7° | 109.4° |
| N5 | C24 | C26 | 113.7° | 109.5° |
| N5 | C24 | H35 | 110.5° | 109.4° |
| C24 | N5 | C21 | 120.1° | 120.0° |
| H34 | N5 | C21 | 120.0° | 120.0° |
| C25 | C24 | C26 | 102.0° | 109.5° |
| C25 | C24 | H35 | 109.6° | 109.5° |
| C24 | C25 | O6 | 121.7° | 120.0° |
| C24 | C25 | N6 | 118.0° | 119.9° |
| C26 | C24 | H35 | 109.0° | 109.5° |
| C24 | C26 | C27 | 117.3° | 109.5° |
| C24 | C26 | C28 | 103.4° | 109.4° |
| C24 | C26 | H36 | 110.4° | 109.5° |
| O6 | C25 | N6 | 120.3° | 120.0° |
| C27 | C26 | C28 | 102.5° | 109.4° |
| C27 | C26 | H36 | 111.0° | 109.5° |
| C26 | C27 | H37 | 109.5° | 109.5° |
| C26 | C27 | H38 | 109.5° | 109.5° |
| C26 | C27 | H39 | 109.5° | 109.4° |
| C28 | C26 | H36 | 111.6° | 109.4° |
| C26 | C28 | H40 | 109.5° | 109.5° |
| C26 | C28 | H41 | 109.5° | 109.5° |
| C26 | C28 | H42 | 109.5° | 109.5° |
| H37 | C27 | H38 | 109.5° | 109.6° |
| H37 | C27 | H39 | 109.4° | 109.4° |
| H38 | C27 | H39 | 109.5° | 109.4° |
| H40 | C28 | H41 | 109.4° | 109.4° |
| H40 | C28 | H42 | 109.4° | 109.4° |
| H41 | C28 | H42 | 109.5° | 109.5° |
| C29 | N6 | H43 | 120.5° | 120.0° |
| N6 | C29 | C30 | 115.5° | 109.4° |
| N6 | C29 | H44 | 107.9° | 109.4° |
| N6 | C29 | H45 | 108.0° | 109.4° |
| C29 | N6 | C25 | 119.1° | 119.9° |
| H43 | N6 | C25 | 120.5° | 120.0° |
| C30 | C29 | H44 | 108.0° | 109.5° |
| C30 | C29 | H45 | 107.9° | 109.5° |
| C29 | C30 | O7 | 122.1° | 120.0° |
| C29 | C30 | N7 | 115.9° | 120.0° |
| H44 | C29 | H45 | 109.5° | 109.5° |
| O7 | C30 | N7 | 122.0° | 120.0° |
| C31 | N7 | H46 | 120.3° | 120.0° |
| N7 | C31 | C32 | 111.9° | 109.5° |
| N7 | C31 | C33 | 111.2° | 109.5° |
| N7 | C31 | H47 | 107.6° | 109.4° |
| C31 | N7 | C30 | 119.5° | 120.0° |
| H46 | N7 | C30 | 120.2° | 120.0° |
| C32 | C31 | C33 | 112.2° | 109.5° |
| C32 | C31 | H47 | 106.8° | 109.5° |
| C31 | C32 | O8 | 120.6° | 120.0° |
| C31 | C32 | N8 | 117.2° | 120.0° |
| C33 | C31 | H47 | 106.8° | 109.5° |
| C31 | C33 | C34 | 114.2° | 109.5° |
| C31 | C33 | H48 | 108.3° | 109.4° |
| C31 | C33 | H49 | 108.3° | 109.5° |
| O8 | C32 | N8 | 122.2° | 120.0° |
| C34 | C33 | H48 | 108.3° | 109.5° |
| C34 | C33 | H49 | 108.3° | 109.5° |
| C33 | C34 | C35 | 109.6° | 109.5° |
| C33 | C34 | C36 | 114.3° | 109.4° |
| C33 | C34 | H50 | 105.5° | 109.4° |
| H48 | C33 | H49 | 109.5° | 109.5° |
| C35 | C34 | C36 | 114.5° | 109.5° |
| C35 | C34 | H50 | 106.0° | 109.5° |
| C34 | C35 | H51 | 109.5° | 109.5° |
| C34 | C35 | H52 | 109.4° | 109.5° |
| C34 | C35 | H53 | 109.5° | 109.5° |
| C36 | C34 | H50 | 106.0° | 109.5° |
| C34 | C36 | H54 | 109.5° | 109.5° |
| C34 | C36 | H55 | 109.5° | 109.4° |
| C34 | C36 | H56 | 109.5° | 109.5° |
| H51 | C35 | H52 | 109.5° | 109.5° |
| H51 | C35 | H53 | 109.5° | 109.5° |
| H52 | C35 | H53 | 109.5° | 109.5° |
| H54 | C36 | H55 | 109.4° | 109.4° |
| H54 | C36 | H56 | 109.4° | 109.5° |
| H55 | C36 | H56 | 109.5° | 109.5° |
| C37 | N8 | H57 | 117.5° | 120.0° |
| N8 | C37 | C38 | 110.2° | 109.5° |
| N8 | C37 | C39 | 107.3° | 109.5° |
| N8 | C37 | C40 | 111.4° | 109.5° |
| C37 | N8 | C32 | 125.0° | 120.0° |
| H57 | N8 | C32 | 117.5° | 120.0° |
| C38 | C37 | C39 | 106.4° | 109.5° |
| C38 | C37 | C40 | 111.0° | 109.5° |
| C37 | C38 | O9 | 121.3° | 120.0° |
| C37 | C38 | N9 | 116.2° | 120.0° |
| C39 | C37 | C40 | 110.3° | 109.4° |
| C37 | C39 | H58 | 109.5° | 109.5° |
| C37 | C39 | H59 | 109.5° | 109.5° |
| C37 | C39 | H60 | 109.5° | 109.5° |
| C37 | C40 | H61 | 109.5° | 109.4° |
| C37 | C40 | H62 | 109.5° | 109.5° |
| C37 | C40 | H63 | 109.4° | 109.5° |
| O9 | C38 | N9 | 122.2° | 120.1° |
| H58 | C39 | H59 | 109.5° | 109.5° |
| H58 | C39 | H60 | 109.5° | 109.4° |
| H59 | C39 | H60 | 109.5° | 109.4° |
| H61 | C40 | H62 | 109.5° | 109.5° |
| H61 | C40 | H63 | 109.5° | 109.5° |
| H62 | C40 | H63 | 109.5° | 109.5° |
| C41 | N9 | H64 | 118.8° | 120.0° |
| N9 | C41 | C42 | 112.4° | 109.5° |
| N9 | C41 | C43 | 108.6° | 109.5° |
| N9 | C41 | C44 | 108.4° | 109.5° |
| C41 | N9 | C38 | 122.3° | 120.0° |
| H64 | N9 | C38 | 118.9° | 120.0° |
| C42 | C41 | C43 | 108.0° | 109.5° |
| C42 | C41 | C44 | 110.8° | 109.5° |
| C41 | C42 | O10 | 119.0° | 120.0° |
| C41 | C42 | N10 | 121.0° | 120.0° |
| C43 | C41 | C44 | 108.7° | 109.5° |
| C41 | C43 | H65 | 109.5° | 109.5° |
| C41 | C43 | H66 | 109.4° | 109.5° |
| C41 | C43 | H67 | 109.4° | 109.5° |
| C41 | C44 | H68 | 109.5° | 109.5° |
| C41 | C44 | H69 | 109.4° | 109.5° |
| C41 | C44 | H70 | 109.5° | 109.5° |
| O10 | C42 | N10 | 119.9° | 120.0° |
| H65 | C43 | H66 | 109.5° | 109.5° |
| H65 | C43 | H67 | 109.5° | 109.4° |
| H66 | C43 | H67 | 109.5° | 109.5° |
| H68 | C44 | H69 | 109.5° | 109.4° |
| H68 | C44 | H70 | 109.5° | 109.5° |
| H69 | C44 | H70 | 109.5° | 109.5° |
| C45 | N10 | C49 | 111.4° | 108.7° |
| N10 | C45 | C46 | 115.1° | 109.9° |
| N10 | C45 | C47 | 103.7° | 107.3° |
| N10 | C45 | H71 | 110.1° | 109.9° |
| C45 | N10 | C42 | 118.9° | 125.7° |
| N10 | C49 | C48 | 103.3° | 104.7° |
| N10 | C49 | H75 | 111.0° | 110.4° |
| N10 | C49 | H76 | 111.0° | 110.4° |
| C49 | N10 | C42 | 129.7° | 125.6° |
| C46 | C45 | C47 | 109.7° | 109.9° |
| C46 | C45 | H71 | 109.2° | 109.9° |
| C45 | C46 | O11 | 119.7° | 120.0° |
| C45 | C46 | N11 | 117.6° | 120.0° |
| C47 | C45 | H71 | 108.9° | 110.0° |
| C45 | C47 | C48 | 104.2° | 102.9° |
| C45 | C47 | H72 | 110.8° | 110.7° |
| C45 | C47 | H73 | 110.8° | 110.7° |
| O11 | C46 | N11 | 122.5° | 120.0° |
| C48 | C47 | H72 | 110.8° | 110.7° |
| C48 | C47 | H73 | 110.8° | 110.7° |
| C47 | C48 | C49 | 103.6° | 101.5° |
| C47 | C48 | O12 | 111.9° | 111.0° |
| C47 | C48 | H74 | 110.6° | 111.0° |
| H72 | C47 | H73 | 109.4° | 110.8° |
| C49 | C48 | O12 | 107.7° | 110.9° |
| C49 | C48 | H74 | 111.0° | 111.2° |
| C48 | C49 | H75 | 111.0° | 110.5° |
| C48 | C49 | H76 | 111.0° | 110.4° |
| O12 | C48 | H74 | 111.8° | 110.9° |
| C48 | O12 | H77 | 109.5° | 114.0° |
| H75 | C49 | H76 | 109.4° | 110.4° |
| C50 | N11 | H78 | 119.4° | 120.0° |
| N11 | C50 | C51 | 112.9° | 109.4° |
| N11 | C50 | C52 | 111.5° | 109.5° |
| N11 | C50 | H79 | 108.6° | 109.4° |
| C50 | N11 | C46 | 121.2° | 120.0° |
| H78 | N11 | C46 | 119.4° | 120.0° |
| C51 | C50 | C52 | 108.9° | 109.5° |
| C51 | C50 | H79 | 107.3° | 109.5° |
| C50 | C51 | O13 | 118.8° | 120.0° |
| C50 | C51 | N13 | 117.8° | 120.0° |
| C52 | C50 | H79 | 107.4° | 109.5° |
| C50 | C52 | C53 | 113.0° | 109.5° |
| C50 | C52 | H80 | 108.6° | 109.4° |
| C50 | C52 | H81 | 108.6° | 109.5° |
| O13 | C51 | N13 | 123.4° | 120.0° |
| C53 | C52 | H80 | 108.6° | 109.5° |
| C53 | C52 | H81 | 108.6° | 109.5° |
| C52 | C53 | C54 | 113.2° | 109.5° |
| C52 | C53 | H82 | 108.5° | 109.4° |
| C52 | C53 | H83 | 108.5° | 109.5° |
| H80 | C52 | H81 | 109.4° | 109.4° |
| C54 | C53 | H82 | 108.5° | 109.4° |
| C54 | C53 | H83 | 108.5° | 109.5° |
| C53 | C54 | O14 | 122.0° | 120.0° |
| C53 | C54 | N12 | 117.0° | 120.0° |
| H82 | C53 | H83 | 109.5° | 109.5° |
| O14 | C54 | N12 | 121.0° | 120.0° |
| C54 | N12 | H84 | 120.0° | 119.9° |
| C54 | N12 | H85 | 120.0° | 120.0° |
| H84 | N12 | H85 | 120.0° | 120.0° |
| C55 | N13 | H86 | 119.1° | 120.0° |
| N13 | C55 | C56 | 108.9° | 109.5° |
| N13 | C55 | C58 | 109.4° | 109.5° |
| N13 | C55 | C59 | 111.4° | 109.5° |
| C55 | N13 | C51 | 121.9° | 120.0° |
| H86 | N13 | C51 | 119.0° | 120.0° |
| C56 | C55 | C58 | 109.5° | 109.5° |
| C56 | C55 | C59 | 109.4° | 109.5° |
| C55 | C56 | C57 | 113.5° | 109.5° |
| C55 | C56 | H87 | 108.4° | 109.5° |
| C55 | C56 | H88 | 108.4° | 109.5° |
| C58 | C55 | C59 | 108.1° | 109.5° |
| C55 | C58 | H92 | 109.5° | 109.5° |
| C55 | C58 | H93 | 109.4° | 109.5° |
| C55 | C58 | H94 | 109.5° | 109.5° |
| C55 | C59 | O15 | 119.7° | 120.0° |
| C55 | C59 | N14 | 119.7° | 120.0° |
| C57 | C56 | H87 | 108.5° | 109.5° |
| C57 | C56 | H88 | 108.5° | 109.5° |
| C56 | C57 | H89 | 109.5° | 109.5° |
| C56 | C57 | H90 | 109.4° | 109.4° |
| C56 | C57 | H91 | 109.4° | 109.4° |
| H87 | C56 | H88 | 109.5° | 109.4° |
| H89 | C57 | H90 | 109.5° | 109.5° |
| H89 | C57 | H91 | 109.5° | 109.6° |
| H90 | C57 | H91 | 109.5° | 109.4° |
| H92 | C58 | H93 | 109.5° | 109.5° |
| H92 | C58 | H94 | 109.4° | 109.5° |
| H93 | C58 | H94 | 109.5° | 109.5° |
| O15 | C59 | N14 | 120.6° | 120.0° |
| C60 | N14 | C64 | 109.6° | 108.7° |
| N14 | C60 | C61 | 115.0° | 109.9° |
| N14 | C60 | C62 | 104.7° | 107.2° |
| N14 | C60 | H95 | 108.1° | 109.9° |
| C60 | N14 | C59 | 118.0° | 125.6° |
| N14 | C64 | C63 | 102.6° | 104.7° |
| N14 | C64 | H99 | 111.2° | 110.4° |
| N14 | C64 | H100 | 111.2° | 110.3° |
| C64 | N14 | C59 | 130.7° | 125.6° |
| C61 | C60 | C62 | 113.4° | 109.9° |
| C61 | C60 | H95 | 107.9° | 109.9° |
| C60 | C61 | O16 | 118.7° | 120.0° |
| C60 | C61 | N15 | 119.0° | 120.0° |
| C62 | C60 | H95 | 107.5° | 110.0° |
| C60 | C62 | C63 | 103.3° | 103.0° |
| C60 | C62 | H96 | 111.0° | 110.7° |
| C60 | C62 | H97 | 111.0° | 110.7° |
| O16 | C61 | N15 | 122.3° | 120.0° |
| C63 | C62 | H96 | 111.0° | 110.7° |
| C63 | C62 | H97 | 111.0° | 110.8° |
| C62 | C63 | C64 | 101.1° | 101.5° |
| C62 | C63 | O17 | 107.1° | 111.0° |
| C62 | C63 | H98 | 111.3° | 111.0° |
| H96 | C62 | H97 | 109.5° | 110.7° |
| C64 | C63 | O17 | 111.7° | 110.9° |
| C64 | C63 | H98 | 111.6° | 111.2° |
| C63 | C64 | H99 | 111.1° | 110.5° |
| C63 | C64 | H100 | 111.2° | 110.3° |
| O17 | C63 | H98 | 113.4° | 110.9° |
| C63 | O17 | H101 | 109.5° | 114.0° |
| H99 | C64 | H100 | 109.5° | 110.4° |
| C65 | N15 | H102 | 119.3° | 120.0° |
| N15 | C65 | C66 | 109.3° | 109.5° |
| N15 | C65 | C67 | 107.3° | 109.5° |
| N15 | C65 | C68 | 110.0° | 109.5° |
| C65 | N15 | C61 | 121.5° | 120.0° |
| H102 | N15 | C61 | 119.2° | 120.0° |
| C66 | C65 | C67 | 107.8° | 109.5° |
| C66 | C65 | C68 | 111.7° | 109.5° |
| C65 | C66 | O18 | 119.9° | 120.0° |
| C65 | C66 | N16 | 119.8° | 120.0° |
| C67 | C65 | C68 | 110.6° | 109.4° |
| C65 | C67 | H103 | 109.5° | 109.5° |
| C65 | C67 | H104 | 109.5° | 109.5° |
| C65 | C67 | H105 | 109.5° | 109.5° |
| C65 | C68 | H106 | 109.5° | 109.4° |
| C65 | C68 | H107 | 109.5° | 109.5° |
| C65 | C68 | H108 | 109.5° | 109.5° |
| O18 | C66 | N16 | 120.2° | 120.0° |
| H103 | C67 | H104 | 109.5° | 109.5° |
| H103 | C67 | H105 | 109.5° | 109.4° |
| H104 | C67 | H105 | 109.5° | 109.5° |
| H106 | C68 | H107 | 109.5° | 109.5° |
| H106 | C68 | H108 | 109.5° | 109.4° |
| H107 | C68 | H108 | 109.5° | 109.5° |
| C69 | N16 | H109 | 117.8° | 120.0° |
| N16 | C69 | C70 | 110.9° | 109.4° |
| N16 | C69 | C71 | 110.8° | 109.4° |
| N16 | C69 | H110 | 108.5° | 109.5° |
| C69 | N16 | C66 | 124.5° | 120.0° |
| H109 | N16 | C66 | 117.8° | 120.0° |
| C70 | C69 | C71 | 111.5° | 109.5° |
| C70 | C69 | H110 | 107.5° | 109.5° |
| C69 | C70 | O19 | 112.1° | 109.5° |
| C69 | C70 | H111 | 108.8° | 109.5° |
| C69 | C70 | H112 | 108.8° | 109.5° |
| C71 | C69 | H110 | 107.5° | 109.5° |
| C69 | C71 | C72 | 116.9° | 109.5° |
| C69 | C71 | H114 | 107.6° | 109.5° |
| C69 | C71 | H115 | 107.6° | 109.5° |
| O19 | C70 | H111 | 108.8° | 109.5° |
| O19 | C70 | H112 | 108.8° | 109.4° |
| C70 | O19 | H113 | 109.5° | 114.0° |
| H111 | C70 | H112 | 109.5° | 109.5° |
| C72 | C71 | H114 | 107.6° | 109.4° |
| C72 | C71 | H115 | 107.6° | 109.4° |
| C71 | C72 | C73 | 119.7° | 120.0° |
| C71 | C72 | C74 | 123.4° | 120.0° |
| H114 | C71 | H115 | 109.5° | 109.5° |
| C73 | C72 | C74 | 116.9° | 120.0° |
| C72 | C73 | C75 | 122.0° | 120.0° |
| C72 | C73 | H116 | 119.0° | 120.0° |
| C72 | C74 | C76 | 120.6° | 120.0° |
| C72 | C74 | H117 | 119.7° | 120.0° |
| C75 | C73 | H116 | 119.0° | 120.0° |
| C73 | C75 | C77 | 119.6° | 120.0° |
| C73 | C75 | H118 | 120.2° | 120.0° |
| C76 | C74 | H117 | 119.7° | 120.0° |
| C74 | C76 | C77 | 121.4° | 120.0° |
| C74 | C76 | H119 | 119.3° | 120.0° |
| C77 | C75 | H118 | 120.2° | 120.1° |
| C75 | C77 | C76 | 119.5° | 120.0° |
| C75 | C77 | H120 | 120.2° | 119.9° |
| C77 | C76 | H119 | 119.3° | 120.0° |
| C76 | C77 | H120 | 120.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.6° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 2.3° | 0.1° |
| O1 | C1 | N1 | H4 | 177.7° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 177.3° | 179.8° |
| C2 | C1 | N1 | H4 | 2.6° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 179.6° | 179.7° |
| H2 | C2 | C1 | N1 | 60.4° | 59.7° |
| H3 | C2 | C1 | N1 | 59.6° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 127.6° | 119.9° |
| N1 | C3 | C4 | H5 | 117.5° | 120.1° |
| N1 | C3 | C5 | H5 | 115.7° | 120.0° |
| N1 | C3 | C4 | O2 | 172.9° | 19.9° |
| N1 | C3 | C5 | C6 | 57.6° | 65.1° |
| N1 | C3 | C5 | H6 | 178.0° | 55.0° |
| N1 | C3 | C5 | H7 | 62.8° | 175.0° |
| N1 | C3 | C4 | N2 | 5.7° | 160.1° |
| H4 | N1 | C3 | C4 | 54.1° | 120.0° |
| H4 | N1 | C3 | C5 | 73.7° | 120.1° |
| H4 | N1 | C3 | H5 | 171.2° | 0.1° |
| C4 | C3 | C5 | H5 | 115.0° | 120.1° |
| C3 | C4 | O2 | N2 | 178.5° | 180.0° |
| C4 | C3 | C5 | C6 | 71.7° | 175.0° |
| C4 | C3 | C5 | H6 | 48.7° | 64.9° |
| C4 | C3 | C5 | H7 | 167.9° | 55.0° |
| C3 | C4 | N2 | C12 | 179.8° | 180.0° |
| C3 | C4 | N2 | H13 | 0.1° | 0.0° |
| C4 | C3 | N1 | C1 | 125.9° | 59.9° |
| C5 | C3 | C4 | O2 | 59.6° | 100.0° |
| C3 | C5 | C6 | H6 | 120.4° | 120.1° |
| C3 | C5 | C6 | H7 | 120.4° | 119.9° |
| C3 | C5 | H6 | H7 | 118.8° | 120.0° |
| C3 | C5 | C6 | C7 | 78.5° | 90.1° |
| C3 | C5 | C6 | C8 | 97.7° | 90.3° |
| C5 | C3 | N1 | C1 | 106.3° | 60.0° |
| C5 | C3 | C4 | N2 | 121.9° | 80.0° |
| H5 | C3 | C4 | O2 | 55.3° | 140.0° |
| H5 | C3 | C5 | C6 | 173.3° | 54.9° |
| H5 | C3 | C5 | H6 | 66.3° | 175.0° |
| H5 | C3 | C5 | H7 | 52.9° | 65.0° |
| H5 | C3 | N1 | C1 | 8.8° | 180.0° |
| H5 | C3 | C4 | N2 | 123.2° | 40.0° |
| O2 | C4 | N2 | C12 | 1.3° | 0.0° |
| O2 | C4 | N2 | H13 | 178.6° | 180.0° |
| C6 | C5 | H6 | H7 | 118.8° | 120.0° |
| C5 | C6 | C7 | C8 | 176.3° | 179.6° |
| C5 | C6 | C7 | C9 | 173.8° | 180.0° |
| C5 | C6 | C7 | H8 | 6.2° | 0.0° |
| C5 | C6 | C8 | C10 | 175.5° | 180.0° |
| C5 | C6 | C8 | H9 | 4.5° | 0.1° |
| H6 | C5 | C6 | C7 | 41.9° | 30.0° |
| H6 | C5 | C6 | C8 | 141.9° | 149.6° |
| H7 | C5 | C6 | C7 | 161.1° | 150.0° |
| H7 | C5 | C6 | C8 | 22.7° | 29.6° |
| C6 | C7 | C9 | H8 | 180.0° | 180.0° |
| C7 | C6 | C8 | C10 | 1.0° | 0.4° |
| C7 | C6 | C8 | H9 | 179.1° | 179.7° |
| C6 | C7 | C9 | C11 | 2.2° | 0.0° |
| C6 | C7 | C9 | H10 | 177.8° | 180.0° |
| C8 | C6 | C7 | C9 | 2.5° | 0.3° |
| C8 | C6 | C7 | H8 | 177.5° | 179.7° |
| C6 | C8 | C10 | H9 | 180.0° | 179.9° |
| C6 | C8 | C10 | C11 | 1.0° | 0.1° |
| C6 | C8 | C10 | H11 | 179.0° | 180.0° |
| C7 | C9 | C11 | H10 | 180.0° | 180.0° |
| C7 | C9 | C11 | C10 | 0.1° | 0.2° |
| C7 | C9 | C11 | H12 | 179.8° | 180.0° |
| H8 | C7 | C9 | C11 | 177.8° | 180.0° |
| H8 | C7 | C9 | H10 | 2.2° | 0.0° |
| C8 | C10 | C11 | C9 | 1.4° | 0.2° |
| C8 | C10 | C11 | H11 | 180.0° | 179.8° |
| C8 | C10 | C11 | H12 | 178.6° | 180.0° |
| H9 | C8 | C10 | C11 | 178.9° | 180.0° |
| H9 | C8 | C10 | H11 | 1.0° | 0.1° |
| C9 | C11 | C10 | H12 | 180.0° | 179.8° |
| C9 | C11 | C10 | H11 | 178.6° | 179.7° |
| H10 | C9 | C11 | C10 | 179.8° | 179.8° |
| H10 | C9 | C11 | H12 | 0.2° | 0.0° |
| H11 | C10 | C11 | H12 | 1.4° | 0.1° |
| C12 | N2 | H13 | C4 | 180.0° | 180.0° |
| N2 | C12 | C13 | C14 | 117.8° | 120.0° |
| N2 | C12 | C13 | C15 | 122.0° | 120.0° |
| N2 | C12 | C14 | C15 | 121.8° | 120.0° |
| N2 | C12 | C13 | O3 | 138.0° | 145.0° |
| N2 | C12 | C14 | H14 | 180.0° | 60.0° |
| N2 | C12 | C14 | H15 | 60.0° | 180.0° |
| N2 | C12 | C14 | H16 | 60.0° | 60.0° |
| N2 | C12 | C15 | H17 | 180.0° | 60.0° |
| N2 | C12 | C15 | H18 | 60.0° | 180.0° |
| N2 | C12 | C15 | H19 | 60.0° | 60.0° |
| N2 | C12 | C13 | N3 | 46.6° | 35.0° |
| H13 | N2 | C12 | C13 | 127.9° | 0.0° |
| H13 | N2 | C12 | C14 | 10.9° | 120.0° |
| H13 | N2 | C12 | C15 | 110.5° | 120.0° |
| C13 | C12 | C14 | C15 | 120.2° | 120.0° |
| C12 | C13 | O3 | N3 | 175.2° | 180.0° |
| C13 | C12 | C14 | H14 | 62.0° | 180.0° |
| C13 | C12 | C14 | H15 | 178.0° | 60.0° |
| C13 | C12 | C14 | H16 | 58.0° | 60.0° |
| C13 | C12 | C15 | H17 | 59.1° | 60.0° |
| C13 | C12 | C15 | H18 | 60.9° | 60.0° |
| C13 | C12 | C15 | H19 | 179.1° | 180.0° |
| C12 | C13 | N3 | C16 | 173.1° | 180.0° |
| C12 | C13 | N3 | H20 | 6.9° | 0.0° |
| C13 | C12 | N2 | C4 | 52.1° | 180.0° |
| C14 | C12 | C13 | O3 | 104.2° | 25.0° |
| C12 | C14 | H14 | H15 | 120.0° | 120.1° |
| C12 | C14 | H14 | H16 | 120.0° | 120.0° |
| C12 | C14 | H15 | H16 | 120.0° | 120.0° |
| C14 | C12 | C15 | H17 | 59.5° | 180.0° |
| C14 | C12 | C15 | H18 | 179.5° | 60.0° |
| C14 | C12 | C15 | H19 | 60.6° | 60.0° |
| C14 | C12 | N2 | C4 | 169.1° | 60.0° |
| C14 | C12 | C13 | N3 | 71.3° | 155.0° |
| C15 | C12 | C13 | O3 | 16.0° | 95.0° |
| C15 | C12 | C14 | H14 | 58.2° | 60.0° |
| C15 | C12 | C14 | H15 | 61.9° | 60.0° |
| C15 | C12 | C14 | H16 | 178.2° | 180.0° |
| C12 | C15 | H17 | H18 | 120.0° | 120.0° |
| C12 | C15 | H17 | H19 | 120.0° | 120.0° |
| C12 | C15 | H18 | H19 | 120.0° | 120.0° |
| C15 | C12 | N2 | C4 | 69.5° | 60.0° |
| C15 | C12 | C13 | N3 | 168.5° | 85.0° |
| O3 | C13 | N3 | C16 | 2.4° | 0.0° |
| O3 | C13 | N3 | H20 | 177.6° | 180.0° |
| H14 | C14 | H15 | H16 | 120.0° | 119.9° |
| H17 | C15 | H18 | H19 | 120.0° | 120.0° |
| C16 | N3 | H20 | C13 | 180.0° | 180.0° |
| N3 | C16 | C17 | C18 | 117.7° | 120.0° |
| N3 | C16 | C17 | C19 | 121.6° | 120.0° |
| N3 | C16 | C18 | C19 | 119.9° | 120.1° |
| N3 | C16 | C17 | O4 | 145.8° | 145.0° |
| N3 | C16 | C18 | H21 | 180.0° | 60.0° |
| N3 | C16 | C18 | H22 | 60.0° | 180.0° |
| N3 | C16 | C18 | H23 | 60.0° | 60.0° |
| N3 | C16 | C19 | H24 | 180.0° | 60.0° |
| N3 | C16 | C19 | H25 | 60.0° | 180.0° |
| N3 | C16 | C19 | H26 | 60.0° | 60.0° |
| N3 | C16 | C17 | N4 | 37.9° | 35.0° |
| H20 | N3 | C16 | C17 | 124.8° | 0.0° |
| H20 | N3 | C16 | C18 | 7.3° | 120.0° |
| H20 | N3 | C16 | C19 | 112.8° | 120.0° |
| C17 | C16 | C18 | C19 | 121.3° | 120.0° |
| C16 | C17 | O4 | N4 | 176.2° | 180.0° |
| C17 | C16 | C18 | H21 | 61.2° | 180.0° |
| C17 | C16 | C18 | H22 | 178.8° | 60.0° |
| C17 | C16 | C18 | H23 | 58.8° | 60.0° |
| C17 | C16 | C19 | H24 | 58.3° | 60.0° |
| C17 | C16 | C19 | H25 | 61.7° | 60.0° |
| C17 | C16 | C19 | H26 | 178.3° | 180.0° |
| C16 | C17 | N4 | C20 | 175.5° | 180.0° |
| C16 | C17 | N4 | H27 | 4.5° | 0.0° |
| C17 | C16 | N3 | C13 | 55.2° | 180.0° |
| C18 | C16 | C17 | O4 | 96.5° | 25.0° |
| C16 | C18 | H21 | H22 | 120.0° | 120.0° |
| C16 | C18 | H21 | H23 | 120.0° | 120.0° |
| C16 | C18 | H22 | H23 | 120.0° | 120.0° |
| C18 | C16 | C19 | H24 | 61.1° | 180.0° |
| C18 | C16 | C19 | H25 | 179.0° | 60.0° |
| C18 | C16 | C19 | H26 | 59.0° | 60.0° |
| C18 | C16 | N3 | C13 | 172.7° | 60.0° |
| C18 | C16 | C17 | N4 | 79.8° | 155.0° |
| C19 | C16 | C17 | O4 | 24.2° | 95.0° |
| C19 | C16 | C18 | H21 | 60.1° | 60.1° |
| C19 | C16 | C18 | H22 | 59.9° | 60.0° |
| C19 | C16 | C18 | H23 | 179.9° | 180.0° |
| C16 | C19 | H24 | H25 | 120.0° | 120.0° |
| C16 | C19 | H24 | H26 | 120.0° | 119.9° |
| C16 | C19 | H25 | H26 | 120.0° | 120.0° |
| C19 | C16 | N3 | C13 | 67.2° | 60.0° |
| C19 | C16 | C17 | N4 | 159.5° | 85.0° |
| O4 | C17 | N4 | C20 | 0.8° | 0.0° |
| O4 | C17 | N4 | H27 | 179.2° | 180.0° |
| H21 | C18 | H22 | H23 | 120.0° | 120.0° |
| H24 | C19 | H25 | H26 | 120.0° | 120.0° |
| C20 | N4 | H27 | C17 | 180.0° | 180.0° |
| N4 | C20 | C21 | C22 | 117.4° | 120.0° |
| N4 | C20 | C21 | C23 | 121.9° | 120.0° |
| N4 | C20 | C22 | C23 | 121.4° | 120.0° |
| N4 | C20 | C21 | O5 | 131.0° | 145.0° |
| N4 | C20 | C22 | H28 | 180.0° | 60.0° |
| N4 | C20 | C22 | H29 | 60.0° | 180.0° |
| N4 | C20 | C22 | H30 | 60.0° | 60.0° |
| N4 | C20 | C23 | H31 | 180.0° | 60.0° |
| N4 | C20 | C23 | H32 | 60.0° | 180.0° |
| N4 | C20 | C23 | H33 | 60.0° | 60.0° |
| N4 | C20 | C21 | N5 | 49.8° | 35.0° |
| H27 | N4 | C20 | C21 | 126.7° | 0.1° |
| H27 | N4 | C20 | C22 | 8.9° | 120.0° |
| H27 | N4 | C20 | C23 | 111.8° | 120.0° |
| C21 | C20 | C22 | C23 | 121.0° | 120.0° |
| C20 | C21 | O5 | N5 | 179.2° | 180.0° |
| C21 | C20 | C22 | H28 | 62.4° | 179.9° |
| C21 | C20 | C22 | H29 | 177.6° | 60.0° |
| C21 | C20 | C22 | H30 | 57.6° | 60.0° |
| C21 | C20 | C23 | H31 | 59.6° | 60.0° |
| C21 | C20 | C23 | H32 | 60.3° | 60.0° |
| C21 | C20 | C23 | H33 | 179.7° | 180.0° |
| C20 | C21 | N5 | C24 | 178.0° | 180.0° |
| C20 | C21 | N5 | H34 | 1.9° | 0.0° |
| C21 | C20 | N4 | C17 | 53.3° | 180.0° |
| C22 | C20 | C21 | O5 | 111.6° | 25.0° |
| C20 | C22 | H28 | H29 | 120.0° | 120.0° |
| C20 | C22 | H28 | H30 | 120.0° | 119.9° |
| C20 | C22 | H29 | H30 | 120.0° | 120.0° |
| C22 | C20 | C23 | H31 | 60.4° | 180.0° |
| C22 | C20 | C23 | H32 | 179.7° | 60.1° |
| C22 | C20 | C23 | H33 | 59.7° | 60.0° |
| C22 | C20 | N4 | C17 | 171.1° | 60.0° |
| C22 | C20 | C21 | N5 | 67.7° | 155.0° |
| C23 | C20 | C21 | O5 | 9.1° | 95.0° |
| C23 | C20 | C22 | H28 | 58.6° | 60.0° |
| C23 | C20 | C22 | H29 | 61.4° | 60.1° |
| C23 | C20 | C22 | H30 | 178.6° | 179.9° |
| C20 | C23 | H31 | H32 | 120.0° | 119.9° |
| C20 | C23 | H31 | H33 | 120.0° | 120.0° |
| C20 | C23 | H32 | H33 | 120.0° | 120.0° |
| C23 | C20 | N4 | C17 | 68.2° | 60.0° |
| C23 | C20 | C21 | N5 | 171.6° | 85.0° |
| O5 | C21 | N5 | C24 | 1.2° | 0.0° |
| O5 | C21 | N5 | H34 | 178.8° | 180.0° |
| H28 | C22 | H29 | H30 | 120.0° | 120.0° |
| H31 | C23 | H32 | H33 | 120.0° | 120.0° |
| C24 | N5 | H34 | C21 | 180.0° | 180.0° |
| N5 | C24 | C25 | C26 | 121.8° | 120.0° |
| N5 | C24 | C25 | H35 | 122.8° | 120.0° |
| N5 | C24 | C26 | H35 | 123.7° | 119.9° |
| N5 | C24 | C25 | O6 | 142.0° | 8.2° |
| N5 | C24 | C26 | C27 | 179.8° | 60.8° |
| N5 | C24 | C26 | C28 | 68.3° | 59.1° |
| N5 | C24 | C26 | H36 | 51.2° | 179.1° |
| N5 | C24 | C25 | N6 | 41.1° | 171.9° |
| H34 | N5 | C24 | C25 | 102.4° | 25.0° |
| H34 | N5 | C24 | C26 | 12.4° | 95.0° |
| H34 | N5 | C24 | H35 | 135.3° | 145.0° |
| C25 | C24 | C26 | H35 | 115.8° | 120.1° |
| C24 | C25 | O6 | N6 | 176.8° | 180.0° |
| C25 | C24 | C26 | C27 | 59.3° | 179.2° |
| C25 | C24 | C26 | C28 | 171.3° | 60.8° |
| C25 | C24 | C26 | H36 | 69.2° | 59.1° |
| C24 | C25 | N6 | C29 | 175.5° | 175.0° |
| C24 | C25 | N6 | H43 | 4.5° | 5.0° |
| C25 | C24 | N5 | C21 | 77.6° | 155.0° |
| C26 | C24 | C25 | O6 | 96.2° | 111.8° |
| C24 | C26 | C27 | C28 | 112.5° | 120.0° |
| C24 | C26 | C27 | H36 | 128.2° | 120.0° |
| C24 | C26 | C28 | H36 | 118.6° | 120.0° |
| C24 | C26 | C27 | H37 | 180.0° | 59.9° |
| C24 | C26 | C27 | H38 | 60.0° | 180.0° |
| C24 | C26 | C27 | H39 | 60.0° | 60.0° |
| C24 | C26 | C28 | H40 | 180.0° | 55.3° |
| C24 | C26 | C28 | H41 | 60.0° | 175.3° |
| C24 | C26 | C28 | H42 | 60.0° | 64.7° |
| C26 | C24 | N5 | C21 | 167.6° | 85.0° |
| C26 | C24 | C25 | N6 | 80.7° | 68.1° |
| H35 | C24 | C25 | O6 | 19.2° | 128.2° |
| H35 | C24 | C26 | C27 | 56.5° | 59.1° |
| H35 | C24 | C26 | C28 | 55.5° | 179.1° |
| H35 | C24 | C26 | H36 | 174.9° | 60.9° |
| H35 | C24 | N5 | C21 | 44.7° | 35.0° |
| H35 | C24 | C25 | N6 | 163.9° | 51.9° |
| O6 | C25 | N6 | C29 | 1.4° | 5.0° |
| O6 | C25 | N6 | H43 | 178.6° | 175.0° |
| C27 | C26 | C28 | H36 | 118.9° | 120.0° |
| C26 | C27 | H37 | H38 | 120.0° | 120.1° |
| C26 | C27 | H37 | H39 | 120.0° | 119.9° |
| C26 | C27 | H38 | H39 | 120.0° | 119.9° |
| C27 | C26 | C28 | H40 | 57.5° | 175.3° |
| C27 | C26 | C28 | H41 | 62.4° | 64.7° |
| C27 | C26 | C28 | H42 | 177.5° | 55.3° |
| C28 | C26 | C27 | H37 | 67.5° | 60.1° |
| C28 | C26 | C27 | H38 | 172.5° | 60.1° |
| C28 | C26 | C27 | H39 | 52.5° | 180.0° |
| C26 | C28 | H40 | H41 | 120.0° | 120.0° |
| C26 | C28 | H40 | H42 | 120.0° | 120.1° |
| C26 | C28 | H41 | H42 | 120.0° | 120.1° |
| H36 | C26 | C27 | H37 | 51.8° | 180.0° |
| H36 | C26 | C27 | H38 | 68.2° | 59.9° |
| H36 | C26 | C27 | H39 | 171.8° | 60.0° |
| H36 | C26 | C28 | H40 | 61.4° | 64.7° |
| H36 | C26 | C28 | H41 | 178.7° | 55.3° |
| H36 | C26 | C28 | H42 | 58.6° | 175.3° |
| H37 | C27 | H38 | H39 | 120.0° | 120.0° |
| H40 | C28 | H41 | H42 | 120.0° | 119.9° |
| C29 | N6 | H43 | C25 | 180.0° | 180.0° |
| N6 | C29 | C30 | H44 | 120.8° | 120.0° |
| N6 | C29 | C30 | H45 | 120.9° | 119.9° |
| N6 | C29 | H44 | H45 | 117.3° | 120.0° |
| N6 | C29 | C30 | O7 | 140.0° | 0.1° |
| N6 | C29 | C30 | N7 | 39.3° | 180.0° |
| H43 | N6 | C29 | C30 | 117.7° | 0.0° |
| H43 | N6 | C29 | H44 | 121.4° | 120.0° |
| H43 | N6 | C29 | H45 | 3.2° | 120.0° |
| C30 | C29 | H44 | H45 | 117.3° | 120.1° |
| C29 | C30 | O7 | N7 | 179.3° | 179.9° |
| C29 | C30 | N7 | C31 | 179.8° | 174.9° |
| C29 | C30 | N7 | H46 | 0.2° | 5.1° |
| C30 | C29 | N6 | C25 | 62.3° | 180.0° |
| H44 | C29 | C30 | O7 | 19.2° | 119.9° |
| H44 | C29 | N6 | C25 | 58.5° | 60.0° |
| H44 | C29 | C30 | N7 | 160.2° | 60.0° |
| H45 | C29 | C30 | O7 | 99.1° | 120.0° |
| H45 | C29 | N6 | C25 | 176.8° | 60.0° |
| H45 | C29 | C30 | N7 | 81.6° | 60.1° |
| O7 | C30 | N7 | C31 | 0.9° | 5.0° |
| O7 | C30 | N7 | H46 | 179.1° | 175.0° |
| C31 | N7 | H46 | C30 | 180.0° | 180.0° |
| N7 | C31 | C32 | C33 | 125.8° | 120.0° |
| N7 | C31 | C32 | H47 | 117.6° | 120.0° |
| N7 | C31 | C33 | H47 | 117.1° | 120.0° |
| N7 | C31 | C32 | O8 | 145.3° | 18.1° |
| N7 | C31 | C33 | C34 | 55.7° | 176.2° |
| N7 | C31 | C33 | H48 | 65.0° | 56.2° |
| N7 | C31 | C33 | H49 | 176.4° | 63.7° |
| N7 | C31 | C32 | N8 | 36.2° | 161.9° |
| H46 | N7 | C31 | C32 | 107.4° | 28.9° |
| H46 | N7 | C31 | C33 | 18.9° | 91.1° |
| H46 | N7 | C31 | H47 | 135.5° | 148.9° |
| C32 | C31 | C33 | H47 | 116.7° | 120.0° |
| C31 | C32 | O8 | N8 | 178.5° | 180.0° |
| C32 | C31 | C33 | C34 | 178.1° | 63.8° |
| C32 | C31 | C33 | H48 | 61.2° | 176.2° |
| C32 | C31 | C33 | H49 | 57.4° | 56.3° |
| C31 | C32 | N8 | C37 | 176.7° | 175.4° |
| C31 | C32 | N8 | H57 | 3.3° | 4.6° |
| C32 | C31 | N7 | C30 | 72.6° | 151.0° |
| C33 | C31 | C32 | O8 | 88.9° | 101.9° |
| C31 | C33 | C34 | H48 | 120.7° | 120.0° |
| C31 | C33 | C34 | H49 | 120.7° | 120.0° |
| C31 | C33 | H48 | H49 | 117.9° | 120.0° |
| C31 | C33 | C34 | C35 | 175.9° | 64.2° |
| C31 | C33 | C34 | C36 | 45.7° | 175.9° |
| C31 | C33 | C34 | H50 | 70.4° | 55.8° |
| C33 | C31 | N7 | C30 | 161.1° | 89.0° |
| C33 | C31 | C32 | N8 | 89.6° | 78.1° |
| H47 | C31 | C32 | O8 | 27.7° | 138.1° |
| H47 | C31 | C33 | C34 | 61.4° | 56.3° |
| H47 | C31 | C33 | H48 | 177.9° | 63.7° |
| H47 | C31 | C33 | H49 | 59.3° | 176.3° |
| H47 | C31 | N7 | C30 | 44.5° | 31.1° |
| H47 | C31 | C32 | N8 | 153.7° | 41.9° |
| O8 | C32 | N8 | C37 | 4.7° | 4.6° |
| O8 | C32 | N8 | H57 | 175.3° | 175.4° |
| C34 | C33 | H48 | H49 | 117.9° | 120.1° |
| C33 | C34 | C35 | C36 | 130.1° | 119.9° |
| C33 | C34 | C35 | H50 | 113.4° | 120.0° |
| C33 | C34 | C36 | H50 | 115.8° | 120.0° |
| C33 | C34 | C35 | H51 | 180.0° | 175.7° |
| C33 | C34 | C35 | H52 | 60.0° | 55.7° |
| C33 | C34 | C35 | H53 | 60.0° | 64.2° |
| C33 | C34 | C36 | H54 | 180.0° | 60.0° |
| C33 | C34 | C36 | H55 | 60.0° | 180.0° |
| C33 | C34 | C36 | H56 | 60.0° | 60.0° |
| H48 | C33 | C34 | C35 | 63.4° | 55.8° |
| H48 | C33 | C34 | C36 | 166.4° | 64.2° |
| H48 | C33 | C34 | H50 | 50.3° | 175.8° |
| H49 | C33 | C34 | C35 | 55.2° | 175.8° |
| H49 | C33 | C34 | C36 | 75.0° | 55.9° |
| H49 | C33 | C34 | H50 | 168.9° | 64.2° |
| C35 | C34 | C36 | H50 | 116.5° | 120.1° |
| C34 | C35 | H51 | H52 | 120.0° | 120.0° |
| C34 | C35 | H51 | H53 | 120.0° | 120.0° |
| C34 | C35 | H52 | H53 | 120.0° | 120.0° |
| C35 | C34 | C36 | H54 | 52.3° | 180.0° |
| C35 | C34 | C36 | H55 | 67.7° | 60.1° |
| C35 | C34 | C36 | H56 | 172.3° | 60.0° |
| C36 | C34 | C35 | H51 | 49.9° | 64.3° |
| C36 | C34 | C35 | H52 | 169.9° | 175.7° |
| C36 | C34 | C35 | H53 | 70.1° | 55.7° |
| C34 | C36 | H54 | H55 | 120.0° | 119.9° |
| C34 | C36 | H54 | H56 | 120.0° | 120.0° |
| C34 | C36 | H55 | H56 | 120.0° | 120.0° |
| H50 | C34 | C35 | H51 | 66.6° | 55.8° |
| H50 | C34 | C35 | H52 | 53.4° | 64.2° |
| H50 | C34 | C35 | H53 | 173.4° | 175.8° |
| H50 | C34 | C36 | H54 | 64.2° | 59.9° |
| H50 | C34 | C36 | H55 | 175.8° | 60.0° |
| H50 | C34 | C36 | H56 | 55.8° | 180.0° |
| H51 | C35 | H52 | H53 | 120.0° | 120.0° |
| H54 | C36 | H55 | H56 | 119.9° | 120.0° |
| C37 | N8 | H57 | C32 | 180.0° | 180.0° |
| N8 | C37 | C38 | C39 | 116.1° | 120.0° |
| N8 | C37 | C38 | C40 | 123.9° | 120.0° |
| N8 | C37 | C39 | C40 | 121.6° | 120.0° |
| N8 | C37 | C38 | O9 | 147.1° | 145.0° |
| N8 | C37 | C39 | H58 | 180.0° | 60.0° |
| N8 | C37 | C39 | H59 | 60.0° | 180.0° |
| N8 | C37 | C39 | H60 | 60.0° | 60.0° |
| N8 | C37 | C40 | H61 | 180.0° | 60.0° |
| N8 | C37 | C40 | H62 | 60.0° | 180.0° |
| N8 | C37 | C40 | H63 | 60.0° | 60.0° |
| N8 | C37 | C38 | N9 | 39.2° | 35.0° |
| H57 | N8 | C37 | C38 | 113.5° | 0.0° |
| H57 | N8 | C37 | C39 | 2.0° | 120.0° |
| H57 | N8 | C37 | C40 | 122.9° | 120.0° |
| C38 | C37 | C39 | C40 | 120.5° | 120.0° |
| C37 | C38 | O9 | N9 | 173.3° | 180.0° |
| C38 | C37 | C39 | H58 | 62.0° | 180.0° |
| C38 | C37 | C39 | H59 | 178.0° | 59.9° |
| C38 | C37 | C39 | H60 | 58.0° | 60.0° |
| C38 | C37 | C40 | H61 | 56.8° | 60.0° |
| C38 | C37 | C40 | H62 | 63.2° | 59.9° |
| C38 | C37 | C40 | H63 | 176.9° | 180.0° |
| C37 | C38 | N9 | C41 | 157.4° | 180.0° |
| C37 | C38 | N9 | H64 | 22.5° | 0.1° |
| C38 | C37 | N8 | C32 | 66.5° | 180.0° |
| C39 | C37 | C38 | O9 | 96.8° | 25.0° |
| C37 | C39 | H58 | H59 | 120.0° | 120.1° |
| C37 | C39 | H58 | H60 | 120.0° | 120.0° |
| C37 | C39 | H59 | H60 | 120.0° | 120.0° |
| C39 | C37 | C40 | H61 | 60.9° | 180.0° |
| C39 | C37 | C40 | H62 | 179.1° | 60.0° |
| C39 | C37 | C40 | H63 | 59.2° | 60.0° |
| C39 | C37 | N8 | C32 | 178.0° | 60.0° |
| C39 | C37 | C38 | N9 | 76.9° | 155.0° |
| C40 | C37 | C38 | O9 | 23.2° | 95.0° |
| C40 | C37 | C39 | H58 | 58.4° | 60.0° |
| C40 | C37 | C39 | H59 | 61.6° | 60.0° |
| C40 | C37 | C39 | H60 | 178.4° | 180.0° |
| C37 | C40 | H61 | H62 | 120.0° | 120.0° |
| C37 | C40 | H61 | H63 | 120.0° | 120.0° |
| C37 | C40 | H62 | H63 | 119.9° | 120.1° |
| C40 | C37 | N8 | C32 | 57.1° | 60.0° |
| C40 | C37 | C38 | N9 | 163.1° | 85.1° |
| O9 | C38 | N9 | C41 | 16.2° | 0.0° |
| O9 | C38 | N9 | H64 | 163.8° | 179.9° |
| H58 | C39 | H59 | H60 | 120.0° | 119.9° |
| H61 | C40 | H62 | H63 | 120.1° | 120.0° |
| C41 | N9 | H64 | C38 | 180.0° | 179.9° |
| N9 | C41 | C42 | C43 | 119.7° | 120.0° |
| N9 | C41 | C42 | C44 | 121.4° | 120.0° |
| N9 | C41 | C43 | C44 | 117.7° | 120.0° |
| N9 | C41 | C42 | O10 | 139.3° | 134.6° |
| N9 | C41 | C43 | H65 | 180.0° | 60.0° |
| N9 | C41 | C43 | H66 | 60.0° | 180.0° |
| N9 | C41 | C43 | H67 | 60.0° | 59.9° |
| N9 | C41 | C44 | H68 | 180.0° | 60.0° |
| N9 | C41 | C44 | H69 | 60.0° | 180.0° |
| N9 | C41 | C44 | H70 | 60.0° | 60.0° |
| N9 | C41 | C42 | N10 | 44.0° | 45.4° |
| H64 | N9 | C41 | C42 | 126.1° | 0.5° |
| H64 | N9 | C41 | C43 | 6.7° | 119.4° |
| H64 | N9 | C41 | C44 | 111.2° | 120.6° |
| C42 | C41 | C43 | C44 | 120.2° | 120.0° |
| C41 | C42 | O10 | N10 | 176.8° | 180.0° |
| C42 | C41 | C43 | H65 | 57.9° | 180.0° |
| C42 | C41 | C43 | H66 | 177.9° | 60.0° |
| C42 | C41 | C43 | H67 | 62.1° | 60.0° |
| C42 | C41 | C44 | H68 | 56.2° | 60.0° |
| C42 | C41 | C44 | H69 | 63.7° | 60.0° |
| C42 | C41 | C44 | H70 | 176.3° | 180.0° |
| C41 | C42 | N10 | C45 | 176.1° | 174.4° |
| C41 | C42 | N10 | C49 | 0.5° | 5.9° |
| C42 | C41 | N9 | C38 | 53.9° | 179.4° |
| C43 | C41 | C42 | O10 | 101.0° | 14.6° |
| C41 | C43 | H65 | H66 | 120.0° | 120.0° |
| C41 | C43 | H65 | H67 | 120.0° | 120.0° |
| C41 | C43 | H66 | H67 | 120.0° | 120.0° |
| C43 | C41 | C44 | H68 | 62.2° | 180.0° |
| C43 | C41 | C44 | H69 | 177.8° | 60.1° |
| C43 | C41 | C44 | H70 | 57.8° | 60.0° |
| C43 | C41 | N9 | C38 | 173.3° | 60.7° |
| C43 | C41 | C42 | N10 | 75.7° | 165.4° |
| C44 | C41 | C42 | O10 | 17.9° | 105.4° |
| C44 | C41 | C43 | H65 | 62.3° | 60.0° |
| C44 | C41 | C43 | H66 | 57.7° | 60.0° |
| C44 | C41 | C43 | H67 | 177.7° | 179.9° |
| C41 | C44 | H68 | H69 | 120.0° | 120.0° |
| C41 | C44 | H68 | H70 | 120.0° | 120.1° |
| C41 | C44 | H69 | H70 | 120.0° | 120.1° |
| C44 | C41 | N9 | C38 | 68.8° | 59.3° |
| C44 | C41 | C42 | N10 | 165.4° | 74.6° |
| O10 | C42 | N10 | C45 | 0.6° | 5.7° |
| O10 | C42 | N10 | C49 | 177.2° | 174.1° |
| H65 | C43 | H66 | H67 | 120.0° | 120.0° |
| H68 | C44 | H69 | H70 | 120.0° | 119.9° |
| C45 | N10 | C49 | C42 | 176.8° | 179.8° |
| N10 | C45 | C46 | C47 | 116.4° | 117.8° |
| N10 | C45 | C46 | H71 | 124.4° | 121.0° |
| N10 | C45 | C47 | H71 | 117.1° | 119.5° |
| N10 | C45 | C46 | O11 | 167.3° | 0.1° |
| N10 | C45 | C47 | C48 | 21.7° | 22.2° |
| N10 | C45 | C47 | H72 | 97.5° | 140.5° |
| N10 | C45 | C47 | H73 | 140.8° | 96.2° |
| C45 | N10 | C49 | C48 | 23.0° | 24.5° |
| C45 | N10 | C49 | H75 | 142.0° | 94.5° |
| C45 | N10 | C49 | H76 | 96.0° | 143.2° |
| N10 | C45 | C46 | N11 | 16.1° | 180.0° |
| C49 | N10 | C45 | C46 | 119.1° | 120.7° |
| C49 | N10 | C45 | C47 | 0.7° | 1.3° |
| C49 | N10 | C45 | H71 | 117.0° | 118.3° |
| N10 | C49 | C48 | C47 | 35.8° | 37.3° |
| N10 | C49 | C48 | H75 | 119.0° | 118.8° |
| N10 | C49 | C48 | H76 | 119.0° | 118.8° |
| N10 | C49 | C48 | O12 | 82.9° | 155.3° |
| N10 | C49 | C48 | H74 | 154.5° | 80.8° |
| N10 | C49 | H75 | H76 | 122.9° | 122.3° |
| C46 | C45 | C47 | H71 | 119.4° | 121.1° |
| C45 | C46 | O11 | N11 | 176.4° | 179.9° |
| C46 | C45 | C47 | C48 | 145.1° | 97.2° |
| C46 | C45 | C47 | H72 | 25.9° | 21.2° |
| C46 | C45 | C47 | H73 | 95.8° | 144.5° |
| C45 | C46 | N11 | C50 | 179.2° | 179.9° |
| C45 | C46 | N11 | H78 | 0.8° | 0.0° |
| C46 | C45 | N10 | C42 | 63.7° | 59.6° |
| C47 | C45 | C46 | O11 | 76.3° | 117.8° |
| C45 | C47 | C48 | H72 | 119.2° | 118.4° |
| C45 | C47 | C48 | H73 | 119.2° | 118.4° |
| C45 | C47 | H72 | H73 | 122.5° | 123.3° |
| C45 | C47 | C48 | C49 | 35.8° | 35.7° |
| C45 | C47 | C48 | O12 | 79.9° | 153.6° |
| C45 | C47 | C48 | H74 | 154.8° | 82.6° |
| C47 | C45 | N10 | C42 | 176.5° | 179.0° |
| C47 | C45 | C46 | N11 | 100.3° | 62.2° |
| H71 | C45 | C46 | O11 | 42.9° | 121.0° |
| H71 | C45 | C47 | C48 | 95.5° | 141.7° |
| H71 | C45 | C47 | H72 | 145.4° | 100.0° |
| H71 | C45 | C47 | H73 | 23.7° | 23.3° |
| H71 | C45 | N10 | C42 | 60.2° | 61.4° |
| H71 | C45 | C46 | N11 | 140.5° | 59.0° |
| O11 | C46 | N11 | C50 | 4.3° | 0.0° |
| O11 | C46 | N11 | H78 | 175.6° | 180.0° |
| C48 | C47 | H72 | H73 | 122.4° | 123.2° |
| C47 | C48 | C49 | O12 | 118.7° | 118.0° |
| C47 | C48 | C49 | H74 | 118.7° | 118.1° |
| C47 | C48 | O12 | H74 | 124.7° | 123.8° |
| C47 | C48 | C49 | H75 | 154.8° | 81.5° |
| C47 | C48 | C49 | H76 | 83.2° | 156.1° |
| C47 | C48 | O12 | H77 | 180.0° | 180.0° |
| H72 | C47 | C48 | C49 | 83.3° | 154.0° |
| H72 | C47 | C48 | O12 | 160.9° | 88.0° |
| H72 | C47 | C48 | H74 | 35.6° | 35.7° |
| H73 | C47 | C48 | C49 | 155.0° | 82.7° |
| H73 | C47 | C48 | O12 | 39.3° | 35.2° |
| H73 | C47 | C48 | H74 | 86.0° | 159.0° |
| C49 | C48 | O12 | H74 | 122.2° | 124.1° |
| C48 | C49 | H75 | H76 | 122.9° | 122.4° |
| C49 | C48 | O12 | H77 | 66.8° | 68.0° |
| C48 | C49 | N10 | C42 | 153.8° | 155.8° |
| O12 | C48 | C49 | H75 | 36.1° | 36.4° |
| O12 | C48 | C49 | H76 | 158.1° | 86.0° |
| H74 | C48 | C49 | H75 | 86.5° | 160.4° |
| H74 | C48 | C49 | H76 | 35.5° | 38.0° |
| H74 | C48 | O12 | H77 | 55.3° | 56.2° |
| H75 | C49 | N10 | C42 | 34.8° | 85.3° |
| H76 | C49 | N10 | C42 | 87.1° | 37.0° |
| C50 | N11 | H78 | C46 | 180.0° | 179.9° |
| N11 | C50 | C51 | C52 | 124.4° | 120.0° |
| N11 | C50 | C51 | H79 | 119.6° | 119.9° |
| N11 | C50 | C52 | H79 | 118.8° | 120.0° |
| N11 | C50 | C51 | O13 | 169.4° | 0.0° |
| N11 | C50 | C52 | C53 | 48.9° | 65.0° |
| N11 | C50 | C52 | H80 | 71.6° | 55.0° |
| N11 | C50 | C52 | H81 | 169.5° | 175.0° |
| N11 | C50 | C51 | N13 | 10.9° | 179.9° |
| H78 | N11 | C50 | C51 | 92.8° | 25.0° |
| H78 | N11 | C50 | C52 | 30.2° | 95.0° |
| H78 | N11 | C50 | H79 | 148.3° | 145.0° |
| C51 | C50 | C52 | H79 | 115.9° | 120.0° |
| C50 | C51 | O13 | N13 | 179.7° | 179.9° |
| C51 | C50 | C52 | C53 | 174.2° | 175.0° |
| C51 | C50 | C52 | H80 | 53.6° | 65.0° |
| C51 | C50 | C52 | H81 | 65.3° | 55.0° |
| C50 | C51 | N13 | C55 | 173.8° | 180.0° |
| C50 | C51 | N13 | H86 | 6.1° | 0.0° |
| C51 | C50 | N11 | C46 | 87.2° | 155.0° |
| C52 | C50 | C51 | O13 | 66.2° | 120.0° |
| C50 | C52 | C53 | H80 | 120.5° | 120.0° |
| C50 | C52 | C53 | H81 | 120.5° | 120.1° |
| C50 | C52 | H80 | H81 | 118.4° | 120.0° |
| C50 | C52 | C53 | C54 | 48.6° | 180.0° |
| C50 | C52 | C53 | H82 | 71.9° | 60.0° |
| C50 | C52 | C53 | H83 | 169.2° | 60.0° |
| C52 | C50 | N11 | C46 | 149.8° | 84.9° |
| C52 | C50 | C51 | N13 | 113.5° | 60.0° |
| H79 | C50 | C51 | O13 | 49.7° | 119.9° |
| H79 | C50 | C52 | C53 | 69.9° | 55.0° |
| H79 | C50 | C52 | H80 | 169.6° | 175.0° |
| H79 | C50 | C52 | H81 | 50.7° | 65.0° |
| H79 | C50 | N11 | C46 | 31.7° | 35.1° |
| H79 | C50 | C51 | N13 | 130.5° | 60.0° |
| O13 | C51 | N13 | C55 | 5.9° | 0.1° |
| O13 | C51 | N13 | H86 | 174.2° | 180.0° |
| C53 | C52 | H80 | H81 | 118.4° | 120.0° |
| C52 | C53 | C54 | H82 | 120.6° | 119.9° |
| C52 | C53 | C54 | H83 | 120.5° | 120.0° |
| C52 | C53 | H82 | H83 | 118.3° | 120.0° |
| C52 | C53 | C54 | O14 | 42.1° | 0.0° |
| C52 | C53 | C54 | N12 | 138.4° | 180.0° |
| H80 | C52 | C53 | C54 | 169.2° | 60.1° |
| H80 | C52 | C53 | H82 | 48.6° | 180.0° |
| H80 | C52 | C53 | H83 | 70.3° | 60.0° |
| H81 | C52 | C53 | C54 | 71.9° | 59.9° |
| H81 | C52 | C53 | H82 | 167.5° | 60.0° |
| H81 | C52 | C53 | H83 | 48.6° | 180.0° |
| C54 | C53 | H82 | H83 | 118.3° | 120.0° |
| C53 | C54 | O14 | N12 | 179.4° | 180.0° |
| C53 | C54 | N12 | H84 | 179.4° | 0.0° |
| C53 | C54 | N12 | H85 | 0.5° | 180.0° |
| H82 | C53 | C54 | O14 | 162.7° | 120.0° |
| H82 | C53 | C54 | N12 | 17.8° | 60.0° |
| H83 | C53 | C54 | O14 | 78.4° | 120.0° |
| H83 | C53 | C54 | N12 | 101.1° | 60.0° |
| O14 | C54 | N12 | H84 | 0.0° | 180.0° |
| O14 | C54 | N12 | H85 | 180.0° | 0.0° |
| C54 | N12 | H84 | H85 | 180.0° | 180.0° |
| C55 | N13 | H86 | C51 | 180.0° | 179.9° |
| N13 | C55 | C56 | C58 | 119.7° | 120.0° |
| N13 | C55 | C56 | C59 | 122.0° | 120.0° |
| N13 | C55 | C58 | C59 | 121.5° | 120.0° |
| N13 | C55 | C56 | C57 | 53.7° | 55.0° |
| N13 | C55 | C56 | H87 | 174.3° | 65.0° |
| N13 | C55 | C56 | H88 | 66.9° | 175.0° |
| N13 | C55 | C58 | H92 | 180.0° | 60.0° |
| N13 | C55 | C58 | H93 | 60.0° | 180.0° |
| N13 | C55 | C58 | H94 | 60.0° | 60.0° |
| N13 | C55 | C59 | O15 | 140.9° | 129.4° |
| N13 | C55 | C59 | N14 | 39.7° | 50.6° |
| H86 | N13 | C55 | C56 | 112.2° | 119.4° |
| H86 | N13 | C55 | C58 | 7.5° | 120.6° |
| H86 | N13 | C55 | C59 | 127.0° | 0.6° |
| C56 | C55 | C58 | C59 | 119.1° | 120.0° |
| C55 | C56 | C57 | H87 | 120.6° | 120.0° |
| C55 | C56 | C57 | H88 | 120.6° | 120.0° |
| C55 | C56 | H87 | H88 | 118.1° | 120.0° |
| C55 | C56 | C57 | H89 | 180.0° | 180.0° |
| C55 | C56 | C57 | H90 | 60.0° | 60.0° |
| C55 | C56 | C57 | H91 | 60.0° | 59.9° |
| C56 | C55 | C58 | H92 | 60.7° | 180.0° |
| C56 | C55 | C58 | H93 | 59.4° | 60.0° |
| C56 | C55 | C58 | H94 | 179.4° | 60.0° |
| C56 | C55 | C59 | O15 | 20.3° | 9.4° |
| C56 | C55 | N13 | C51 | 67.8° | 60.6° |
| C56 | C55 | C59 | N14 | 160.2° | 170.6° |
| C58 | C55 | C56 | C57 | 66.0° | 175.0° |
| C58 | C55 | C56 | H87 | 54.6° | 55.0° |
| C58 | C55 | C56 | H88 | 173.4° | 65.0° |
| C55 | C58 | H92 | H93 | 120.0° | 120.0° |
| C55 | C58 | H92 | H94 | 120.0° | 120.0° |
| C55 | C58 | H93 | H94 | 120.0° | 120.0° |
| C58 | C55 | C59 | O15 | 98.9° | 110.6° |
| C58 | C55 | N13 | C51 | 172.5° | 59.5° |
| C58 | C55 | C59 | N14 | 80.6° | 69.4° |
| C59 | C55 | C56 | C57 | 175.7° | 65.0° |
| C59 | C55 | C56 | H87 | 63.7° | 175.0° |
| C59 | C55 | C56 | H88 | 55.1° | 55.0° |
| C59 | C55 | C58 | H92 | 58.4° | 60.0° |
| C59 | C55 | C58 | H93 | 178.5° | 60.0° |
| C59 | C55 | C58 | H94 | 61.5° | 180.0° |
| C55 | C59 | O15 | N14 | 179.5° | 180.0° |
| C55 | C59 | N14 | C60 | 175.2° | 175.9° |
| C55 | C59 | N14 | C64 | 11.8° | 3.8° |
| C59 | C55 | N13 | C51 | 53.0° | 179.4° |
| C57 | C56 | H87 | H88 | 118.2° | 120.0° |
| C56 | C57 | H89 | H90 | 120.0° | 119.9° |
| C56 | C57 | H89 | H91 | 120.0° | 120.0° |
| C56 | C57 | H90 | H91 | 120.0° | 119.9° |
| H87 | C56 | C57 | H89 | 59.4° | 60.0° |
| H87 | C56 | C57 | H90 | 179.4° | 180.0° |
| H87 | C56 | C57 | H91 | 60.6° | 60.1° |
| H88 | C56 | C57 | H89 | 59.4° | 59.9° |
| H88 | C56 | C57 | H90 | 60.6° | 60.0° |
| H88 | C56 | C57 | H91 | 179.4° | 180.0° |
| H89 | C57 | H90 | H91 | 120.0° | 120.1° |
| H92 | C58 | H93 | H94 | 120.0° | 120.0° |
| O15 | C59 | N14 | C60 | 4.3° | 4.1° |
| O15 | C59 | N14 | C64 | 167.7° | 176.2° |
| C60 | N14 | C64 | C59 | 164.4° | 179.7° |
| N14 | C60 | C61 | C62 | 120.4° | 117.7° |
| N14 | C60 | C61 | H95 | 120.6° | 121.0° |
| N14 | C60 | C62 | H95 | 114.8° | 119.5° |
| N14 | C60 | C61 | O16 | 167.6° | 0.0° |
| N14 | C60 | C62 | C63 | 26.3° | 22.2° |
| N14 | C60 | C62 | H96 | 92.7° | 140.6° |
| N14 | C60 | C62 | H97 | 145.3° | 96.2° |
| C60 | N14 | C64 | C63 | 25.3° | 24.5° |
| C60 | N14 | C64 | H99 | 144.2° | 94.5° |
| C60 | N14 | C64 | H100 | 93.6° | 143.2° |
| N14 | C60 | C61 | N15 | 10.7° | 180.0° |
| C64 | N14 | C60 | C61 | 125.8° | 120.7° |
| C64 | N14 | C60 | C62 | 0.7° | 1.3° |
| C64 | N14 | C60 | H95 | 113.7° | 118.3° |
| N14 | C64 | C63 | C62 | 40.5° | 37.4° |
| N14 | C64 | C63 | H99 | 118.9° | 118.9° |
| N14 | C64 | C63 | H100 | 118.9° | 118.7° |
| N14 | C64 | C63 | O17 | 73.1° | 155.3° |
| N14 | C64 | C63 | H98 | 158.9° | 80.8° |
| N14 | C64 | H99 | H100 | 123.2° | 122.3° |
| C61 | C60 | C62 | H95 | 119.2° | 121.1° |
| C60 | C61 | O16 | N15 | 178.3° | 179.9° |
| C61 | C60 | C62 | C63 | 152.4° | 97.2° |
| C61 | C60 | C62 | H96 | 33.3° | 21.2° |
| C61 | C60 | C62 | H97 | 88.6° | 144.4° |
| C60 | C61 | N15 | C65 | 171.1° | 180.0° |
| C60 | C61 | N15 | H102 | 8.9° | 0.1° |
| C61 | C60 | N14 | C59 | 67.5° | 59.6° |
| C62 | C60 | C61 | O16 | 72.0° | 117.8° |
| C60 | C62 | C63 | H96 | 119.0° | 118.4° |
| C60 | C62 | C63 | H97 | 119.0° | 118.4° |
| C60 | C62 | H96 | H97 | 122.9° | 123.2° |
| C60 | C62 | C63 | C64 | 41.4° | 35.7° |
| C60 | C62 | C63 | O17 | 75.6° | 153.6° |
| C60 | C62 | C63 | H98 | 160.0° | 82.6° |
| C62 | C60 | N14 | C59 | 167.4° | 179.0° |
| C62 | C60 | C61 | N15 | 109.7° | 62.3° |
| H95 | C60 | C61 | O16 | 47.0° | 121.0° |
| H95 | C60 | C62 | C63 | 88.5° | 141.7° |
| H95 | C60 | C62 | H96 | 152.5° | 99.9° |
| H95 | C60 | C62 | H97 | 30.5° | 23.3° |
| H95 | C60 | N14 | C59 | 53.0° | 61.4° |
| H95 | C60 | C61 | N15 | 131.3° | 58.9° |
| O16 | C61 | N15 | C65 | 7.1° | 0.0° |
| O16 | C61 | N15 | H102 | 172.8° | 180.0° |
| C63 | C62 | H96 | H97 | 122.9° | 123.2° |
| C62 | C63 | C64 | O17 | 113.6° | 117.9° |
| C62 | C63 | C64 | H98 | 118.4° | 118.2° |
| C62 | C63 | O17 | H98 | 123.1° | 123.9° |
| C62 | C63 | C64 | H99 | 159.3° | 81.5° |
| C62 | C63 | C64 | H100 | 78.4° | 156.1° |
| C62 | C63 | O17 | H101 | 180.0° | 179.9° |
| H96 | C62 | C63 | C64 | 77.6° | 154.1° |
| H96 | C62 | C63 | O17 | 165.4° | 88.0° |
| H96 | C62 | C63 | H98 | 41.0° | 35.8° |
| H97 | C62 | C63 | C64 | 160.4° | 82.7° |
| H97 | C62 | C63 | O17 | 43.4° | 35.2° |
| H97 | C62 | C63 | H98 | 81.0° | 159.0° |
| C64 | C63 | O17 | H98 | 127.1° | 124.1° |
| C63 | C64 | H99 | H100 | 123.2° | 122.3° |
| C64 | C63 | O17 | H101 | 70.2° | 68.0° |
| C63 | C64 | N14 | C59 | 139.1° | 155.8° |
| O17 | C63 | C64 | H99 | 45.8° | 36.4° |
| O17 | C63 | C64 | H100 | 168.0° | 86.0° |
| H98 | C63 | C64 | H99 | 82.3° | 160.3° |
| H98 | C63 | C64 | H100 | 40.0° | 37.9° |
| H98 | C63 | O17 | H101 | 56.9° | 56.2° |
| H99 | C64 | N14 | C59 | 20.2° | 85.3° |
| H100 | C64 | N14 | C59 | 102.0° | 37.1° |
| C65 | N15 | H102 | C61 | 180.0° | 180.0° |
| N15 | C65 | C66 | C67 | 116.3° | 120.0° |
| N15 | C65 | C66 | C68 | 121.9° | 120.0° |
| N15 | C65 | C67 | C68 | 120.0° | 120.0° |
| N15 | C65 | C66 | O18 | 158.5° | 145.0° |
| N15 | C65 | C67 | H103 | 180.0° | 59.9° |
| N15 | C65 | C67 | H104 | 60.0° | 180.0° |
| N15 | C65 | C67 | H105 | 60.0° | 60.0° |
| N15 | C65 | C68 | H106 | 180.0° | 60.0° |
| N15 | C65 | C68 | H107 | 60.0° | 180.0° |
| N15 | C65 | C68 | H108 | 60.0° | 59.9° |
| N15 | C65 | C66 | N16 | 24.6° | 35.0° |
| H102 | N15 | C65 | C66 | 127.0° | 0.0° |
| H102 | N15 | C65 | C67 | 10.3° | 120.0° |
| H102 | N15 | C65 | C68 | 110.1° | 120.0° |
| C66 | C65 | C67 | C68 | 122.4° | 120.0° |
| C65 | C66 | O18 | N16 | 176.9° | 179.9° |
| C66 | C65 | C67 | H103 | 62.4° | 180.0° |
| C66 | C65 | C67 | H104 | 177.6° | 60.0° |
| C66 | C65 | C67 | H105 | 57.6° | 60.0° |
| C66 | C65 | C68 | H106 | 58.4° | 60.0° |
| C66 | C65 | C68 | H107 | 61.6° | 60.0° |
| C66 | C65 | C68 | H108 | 178.4° | 180.0° |
| C65 | C66 | N16 | C69 | 166.8° | 180.0° |
| C65 | C66 | N16 | H109 | 13.2° | 0.0° |
| C66 | C65 | N15 | C61 | 53.1° | 180.0° |
| C67 | C65 | C66 | O18 | 85.2° | 25.1° |
| C65 | C67 | H103 | H104 | 120.0° | 120.0° |
| C65 | C67 | H103 | H105 | 120.0° | 120.0° |
| C65 | C67 | H104 | H105 | 120.0° | 120.0° |
| C67 | C65 | C68 | H106 | 61.7° | 180.0° |
| C67 | C65 | C68 | H107 | 178.3° | 60.0° |
| C67 | C65 | C68 | H108 | 58.3° | 60.0° |
| C67 | C65 | N15 | C61 | 169.7° | 60.0° |
| C67 | C65 | C66 | N16 | 91.7° | 155.0° |
| C68 | C65 | C66 | O18 | 36.5° | 94.9° |
| C68 | C65 | C67 | H103 | 60.0° | 60.0° |
| C68 | C65 | C67 | H104 | 60.0° | 60.0° |
| C68 | C65 | C67 | H105 | 180.0° | 180.0° |
| C65 | C68 | H106 | H107 | 120.0° | 120.0° |
| C65 | C68 | H106 | H108 | 120.0° | 120.0° |
| C65 | C68 | H107 | H108 | 120.0° | 120.1° |
| C68 | C65 | N15 | C61 | 69.9° | 60.0° |
| C68 | C65 | C66 | N16 | 146.5° | 85.0° |
| O18 | C66 | N16 | C69 | 16.3° | 0.0° |
| O18 | C66 | N16 | H109 | 163.7° | 179.9° |
| H103 | C67 | H104 | H105 | 120.0° | 120.0° |
| H106 | C68 | H107 | H108 | 120.0° | 120.0° |
| C69 | N16 | H109 | C66 | 180.0° | 180.0° |
| N16 | C69 | C70 | C71 | 124.0° | 120.0° |
| N16 | C69 | C70 | H110 | 118.4° | 120.0° |
| N16 | C69 | C71 | H110 | 118.4° | 120.0° |
| N16 | C69 | C70 | O19 | 63.7° | 65.0° |
| N16 | C69 | C70 | H111 | 56.7° | 55.0° |
| N16 | C69 | C70 | H112 | 175.9° | 175.0° |
| N16 | C69 | C71 | C72 | 84.5° | 65.0° |
| N16 | C69 | C71 | H114 | 36.5° | 54.9° |
| N16 | C69 | C71 | H115 | 154.4° | 175.0° |
| H109 | N16 | C69 | C70 | 114.9° | 95.0° |
| H109 | N16 | C69 | C71 | 9.4° | 25.0° |
| H109 | N16 | C69 | H110 | 127.2° | 145.0° |
| C70 | C69 | C71 | H110 | 117.6° | 120.0° |
| C69 | C70 | O19 | H111 | 120.4° | 120.1° |
| C69 | C70 | O19 | H112 | 120.4° | 120.0° |
| C69 | C70 | H111 | H112 | 118.8° | 120.0° |
| C69 | C70 | O19 | H113 | 74.1° | 180.0° |
| C70 | C69 | C71 | C72 | 151.5° | 175.0° |
| C70 | C69 | C71 | H114 | 87.5° | 65.0° |
| C70 | C69 | C71 | H115 | 30.4° | 55.0° |
| C70 | C69 | N16 | C66 | 65.1° | 85.0° |
| C71 | C69 | C70 | O19 | 60.2° | 54.9° |
| C71 | C69 | C70 | H111 | 179.4° | 174.9° |
| C71 | C69 | C70 | H112 | 60.1° | 65.0° |
| C69 | C71 | C72 | H114 | 121.1° | 120.0° |
| C69 | C71 | C72 | H115 | 121.1° | 120.0° |
| C69 | C71 | H114 | H115 | 116.6° | 120.0° |
| C69 | C71 | C72 | C73 | 132.4° | 90.0° |
| C69 | C71 | C72 | C74 | 48.3° | 90.2° |
| C71 | C69 | N16 | C66 | 170.5° | 155.0° |
| H110 | C69 | C70 | O19 | 177.8° | 175.0° |
| H110 | C69 | C70 | H111 | 61.8° | 65.0° |
| H110 | C69 | C70 | H112 | 57.5° | 55.0° |
| H110 | C69 | C71 | C72 | 33.8° | 55.0° |
| H110 | C69 | C71 | H114 | 154.9° | 175.0° |
| H110 | C69 | C71 | H115 | 87.2° | 65.0° |
| H110 | C69 | N16 | C66 | 52.7° | 35.0° |
| O19 | C70 | H111 | H112 | 118.8° | 119.9° |
| H111 | C70 | O19 | H113 | 46.3° | 60.0° |
| H112 | C70 | O19 | H113 | 165.5° | 60.0° |
| C72 | C71 | H114 | H115 | 116.6° | 120.0° |
| C71 | C72 | C73 | C74 | 179.3° | 179.8° |
| C71 | C72 | C73 | C75 | 179.5° | 180.0° |
| C71 | C72 | C73 | H116 | 0.5° | 0.0° |
| C71 | C72 | C74 | C76 | 179.4° | 180.0° |
| C71 | C72 | C74 | H117 | 0.6° | 0.1° |
| H114 | C71 | C72 | C73 | 106.5° | 30.0° |
| H114 | C71 | C72 | C74 | 72.7° | 149.7° |
| H115 | C71 | C72 | C73 | 11.3° | 150.0° |
| H115 | C71 | C72 | C74 | 169.4° | 29.8° |
| C72 | C73 | C75 | H116 | 180.0° | 180.0° |
| C73 | C72 | C74 | C76 | 1.3° | 0.2° |
| C73 | C72 | C74 | H117 | 178.7° | 179.7° |
| C72 | C73 | C75 | C77 | 0.1° | 0.0° |
| C72 | C73 | C75 | H118 | 179.9° | 180.0° |
| C74 | C72 | C73 | C75 | 1.2° | 0.2° |
| C74 | C72 | C73 | H116 | 178.8° | 179.7° |
| C72 | C74 | C76 | H117 | 180.0° | 179.9° |
| C72 | C74 | C76 | C77 | 0.1° | 0.1° |
| C72 | C74 | C76 | H119 | 179.9° | 180.0° |
| C73 | C75 | C77 | H118 | 180.0° | 180.0° |
| C73 | C75 | C77 | C76 | 1.3° | 0.2° |
| C73 | C75 | C77 | H120 | 178.7° | 180.0° |
| H116 | C73 | C75 | C77 | 179.9° | 180.0° |
| H116 | C73 | C75 | H118 | 0.1° | 0.0° |
| C74 | C76 | C77 | C75 | 1.2° | 0.3° |
| C74 | C76 | C77 | H119 | 180.0° | 179.9° |
| C74 | C76 | C77 | H120 | 178.8° | 179.9° |
| H117 | C74 | C76 | C77 | 179.9° | 179.9° |
| H117 | C74 | C76 | H119 | 0.1° | 0.1° |
| C75 | C77 | C76 | H120 | 180.0° | 179.8° |
| C75 | C77 | C76 | H119 | 178.8° | 179.8° |
| H118 | C75 | C77 | C76 | 178.7° | 179.8° |
| H118 | C75 | C77 | H120 | 1.3° | 0.0° |
| H119 | C76 | C77 | H120 | 1.2° | 0.0° |
