PRD_001012
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 0.00Å | |
| N1 | H1 | sing | 1.01Å | 0.00Å | |
| N1 | H2 | sing | 1.01Å | 0.00Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C1 | C3 | sing | 1.53Å | 0.00Å | |
| C1 | H3 | sing | 1.09Å | 0.00Å | |
| C2 | O1 | doub | 1.21Å | 0.00Å | |
| C3 | C4 | sing | 1.53Å | 0.00Å | |
| C3 | C5 | sing | 1.53Å | 0.00Å | |
| C3 | H4 | sing | 1.09Å | 0.00Å | |
| C4 | H5 | sing | 1.09Å | 0.00Å | |
| C4 | H6 | sing | 1.09Å | 0.00Å | |
| C4 | H7 | sing | 1.09Å | 0.00Å | |
| C5 | H8 | sing | 1.09Å | 0.00Å | |
| C5 | H9 | sing | 1.09Å | 0.00Å | |
| C5 | H10 | sing | 1.09Å | 0.00Å | |
| N2 | C6 | sing | 1.46Å | 0.00Å | |
| N2 | H11 | sing | 0.97Å | 0.00Å | |
| C6 | C7 | sing | 1.51Å | 0.00Å | |
| C6 | C8 | sing | 1.53Å | 0.00Å | |
| C6 | H12 | sing | 1.09Å | 0.00Å | |
| C7 | O2 | doub | 1.21Å | 0.00Å | |
| C8 | C9 | sing | 1.51Å | 0.00Å | |
| C8 | H13 | sing | 1.09Å | 0.00Å | |
| C8 | H14 | sing | 1.09Å | 0.00Å | |
| C9 | O3 | doub | 1.21Å | 0.00Å | |
| C9 | O4 | sing | 1.34Å | 0.00Å | |
| O4 | H15 | sing | 0.97Å | 0.00Å | |
| N3 | C10 | sing | 1.46Å | 0.00Å | |
| N3 | H16 | sing | 0.97Å | 0.00Å | |
| C10 | C11 | sing | 1.51Å | 0.00Å | |
| C10 | C12 | sing | 1.53Å | 0.00Å | |
| C10 | H17 | sing | 1.09Å | 0.00Å | |
| C11 | O5 | doub | 1.21Å | 0.00Å | |
| C12 | C13 | sing | 1.53Å | 0.00Å | |
| C12 | H18 | sing | 1.09Å | 0.00Å | |
| C12 | H19 | sing | 1.09Å | 0.00Å | |
| C13 | C14 | sing | 1.53Å | 0.00Å | |
| C13 | H20 | sing | 1.09Å | 0.00Å | |
| C13 | H21 | sing | 1.09Å | 0.00Å | |
| C14 | C15 | sing | 1.53Å | 0.00Å | |
| C14 | H22 | sing | 1.09Å | 0.00Å | |
| C14 | H23 | sing | 1.09Å | 0.00Å | |
| C15 | N4 | sing | 1.47Å | 0.00Å | |
| C15 | H24 | sing | 1.09Å | 0.00Å | |
| C15 | H25 | sing | 1.09Å | 0.00Å | |
| N4 | H26 | sing | 1.01Å | 0.00Å | |
| N4 | H27 | sing | 1.01Å | 0.00Å | |
| N4 | H28 | sing | 1.01Å | 0.00Å | |
| N5 | C16 | sing | 1.47Å | 1.51Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.55Å | |
| C16 | C18 | sing | 1.53Å | 1.58Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | O6 | doub | 1.21Å | 1.24Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| N6 | C22 | sing | 1.46Å | 1.41Å | |
| N6 | H40 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.54Å | |
| C22 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | O7 | doub | 1.21Å | 1.25Å | |
| C24 | C25 | sing | 1.51Å | 1.57Å | |
| C24 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C27 | sing | 1.38Å | 1.44Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | H44 | sing | 1.08Å | 1.08Å | |
| C27 | C29 | doub | 1.38Å | 1.42Å | Aromatic |
| C27 | H45 | sing | 1.08Å | 1.08Å | |
| C28 | C30 | doub | 1.39Å | 1.41Å | Aromatic |
| C28 | H46 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.39Å | 1.41Å | Aromatic |
| C29 | H47 | sing | 1.08Å | 1.08Å | |
| C30 | O8 | sing | 1.36Å | 1.38Å | |
| O8 | H48 | sing | 0.97Å | 0.95Å | |
| N7 | C31 | sing | 1.46Å | 1.45Å | |
| N7 | H49 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.51Å | |
| C31 | C33 | sing | 1.53Å | 1.55Å | |
| C31 | H50 | sing | 1.09Å | 1.10Å | |
| C32 | O9 | doub | 1.21Å | 1.26Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C33 | H51 | sing | 1.09Å | 1.10Å | |
| C33 | H52 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.57Å | |
| C34 | C39 | sing | 1.53Å | 1.52Å | |
| C34 | H53 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.57Å | |
| C35 | H54 | sing | 1.09Å | 1.10Å | |
| C35 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| C36 | H57 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | H58 | sing | 1.09Å | 1.10Å | |
| C37 | H59 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.55Å | |
| C38 | H60 | sing | 1.09Å | 1.10Å | |
| C38 | H61 | sing | 1.09Å | 1.10Å | |
| C39 | H62 | sing | 1.09Å | 1.10Å | |
| C39 | H63 | sing | 1.09Å | 1.10Å | |
| N8 | C40 | sing | 1.46Å | 1.46Å | |
| N8 | H64 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | sing | 1.51Å | 1.56Å | |
| C40 | C42 | sing | 1.53Å | 1.51Å | |
| C40 | H65 | sing | 1.09Å | 1.10Å | |
| C41 | O10 | doub | 1.21Å | 1.25Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | H66 | sing | 1.09Å | 1.10Å | |
| C42 | H67 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C43 | C48 | sing | 1.53Å | 1.50Å | |
| C43 | H68 | sing | 1.09Å | 1.10Å | |
| C44 | C45 | sing | 1.53Å | 1.56Å | |
| C44 | H69 | sing | 1.09Å | 1.10Å | |
| C44 | H70 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.53Å | 1.50Å | |
| C45 | H71 | sing | 1.09Å | 1.10Å | |
| C45 | H72 | sing | 1.09Å | 1.10Å | |
| C46 | C47 | sing | 1.53Å | 1.52Å | |
| C46 | H73 | sing | 1.09Å | 1.10Å | |
| C46 | H74 | sing | 1.09Å | 1.10Å | |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C47 | H75 | sing | 1.09Å | 1.10Å | |
| C47 | H76 | sing | 1.09Å | 1.10Å | |
| C48 | H77 | sing | 1.09Å | 1.10Å | |
| C48 | H78 | sing | 1.09Å | 1.10Å | |
| N9 | C49 | sing | 1.47Å | 1.48Å | |
| N9 | C53 | sing | 1.47Å | 1.48Å | |
| C49 | C50 | sing | 1.51Å | 1.53Å | |
| C49 | C51 | sing | 1.54Å | 1.54Å | |
| C49 | H79 | sing | 1.09Å | 1.10Å | |
| C50 | O11 | doub | 1.21Å | 1.21Å | |
| C51 | C52 | sing | 1.55Å | 1.55Å | |
| C51 | H80 | sing | 1.09Å | 1.10Å | |
| C51 | H81 | sing | 1.09Å | 1.10Å | |
| C52 | C53 | sing | 1.55Å | 1.51Å | |
| C52 | H82 | sing | 1.09Å | 1.10Å | |
| C52 | H83 | sing | 1.09Å | 1.10Å | |
| C53 | H84 | sing | 1.09Å | 1.10Å | |
| C53 | H85 | sing | 1.09Å | 1.10Å | |
| N10 | C54 | sing | 1.46Å | 1.50Å | |
| N10 | H86 | sing | 0.97Å | 1.00Å | |
| C54 | C55 | sing | 1.51Å | 1.52Å | |
| C54 | C56 | sing | 1.53Å | 1.53Å | |
| C54 | H87 | sing | 1.09Å | 1.10Å | |
| C55 | O12 | doub | 1.21Å | 1.22Å | |
| C56 | C57 | sing | 1.53Å | 1.53Å | |
| C56 | H88 | sing | 1.09Å | 1.10Å | |
| C56 | H89 | sing | 1.09Å | 1.10Å | |
| C57 | C58 | sing | 1.53Å | 1.51Å | |
| C57 | H90 | sing | 1.09Å | 1.10Å | |
| C57 | H91 | sing | 1.09Å | 1.10Å | |
| C58 | N11 | sing | 1.47Å | 1.45Å | |
| C58 | H92 | sing | 1.09Å | 1.10Å | |
| C58 | H93 | sing | 1.09Å | 1.10Å | |
| N11 | C59 | sing | 1.37Å | 1.32Å | |
| N11 | H94 | sing | 0.97Å | 1.00Å | |
| C59 | N12 | sing | 1.33Å | 1.33Å | |
| C59 | N13 | doub | 1.33Å | 1.34Å | |
| N12 | H95 | sing | 0.97Å | 1.00Å | |
| N12 | H96 | sing | 0.97Å | 1.00Å | |
| N13 | H97 | sing | 0.97Å | 1.00Å | |
| N13 | H98 | sing | 0.97Å | 1.00Å | |
| N14 | C60 | sing | 1.47Å | 1.47Å | |
| N14 | C64 | sing | 1.47Å | 1.47Å | |
| C60 | C61 | sing | 1.51Å | 1.54Å | |
| C60 | C62 | sing | 1.54Å | 1.51Å | |
| C60 | H99 | sing | 1.09Å | 1.10Å | |
| C61 | O13 | doub | 1.21Å | 1.23Å | |
| C62 | C63 | sing | 1.55Å | 1.54Å | |
| C62 | H100 | sing | 1.09Å | 1.10Å | |
| C62 | H101 | sing | 1.09Å | 1.10Å | |
| C63 | C64 | sing | 1.55Å | 1.49Å | |
| C63 | H102 | sing | 1.09Å | 1.10Å | |
| C63 | H103 | sing | 1.09Å | 1.10Å | |
| C64 | H104 | sing | 1.09Å | 1.10Å | |
| C64 | H105 | sing | 1.09Å | 1.10Å | |
| N15 | C65 | sing | 1.46Å | 1.47Å | |
| N15 | H106 | sing | 0.97Å | 1.00Å | |
| C65 | C66 | sing | 1.51Å | 1.54Å | |
| C65 | C67 | sing | 1.53Å | 1.51Å | |
| C65 | H107 | sing | 1.09Å | 1.10Å | |
| C66 | O14 | doub | 1.21Å | 1.23Å | |
| C67 | O15 | sing | 1.43Å | 1.43Å | |
| C67 | C68 | sing | 1.53Å | 1.54Å | |
| C67 | H108 | sing | 1.09Å | 1.10Å | |
| O15 | H109 | sing | 0.97Å | 0.95Å | |
| C68 | H110 | sing | 1.09Å | 1.10Å | |
| C68 | H111 | sing | 1.09Å | 1.10Å | |
| C68 | H112 | sing | 1.09Å | 1.10Å | |
| N16 | C69 | sing | 1.47Å | 49.64Å | |
| N16 | H113 | sing | 0.97Å | 1.00Å | |
| C69 | C70 | sing | 1.51Å | 0.00Å | |
| C69 | C71 | sing | 1.53Å | 0.00Å | |
| C69 | H114 | sing | 1.09Å | 0.00Å | |
| C70 | O16 | doub | 1.21Å | 0.00Å | |
| C70 | O18 | sing | 1.34Å | 0.00Å | |
| C71 | O17 | sing | 1.43Å | 0.00Å | |
| C71 | C72 | sing | 1.53Å | 0.00Å | |
| C71 | H115 | sing | 1.09Å | 0.00Å | |
| O17 | H116 | sing | 0.97Å | 0.00Å | |
| C72 | H117 | sing | 1.09Å | 0.00Å | |
| C72 | H118 | sing | 1.09Å | 0.00Å | |
| C72 | H119 | sing | 1.09Å | 0.00Å | |
| O18 | H120 | sing | 0.97Å | 0.00Å | |
| C2 | N2 | sing | 1.35Å | 0.00Å | |
| C7 | N3 | sing | 1.35Å | 0.00Å | |
| C11 | N5 | sing | 1.35Å | 55.93Å | |
| C17 | N6 | sing | 1.35Å | 1.33Å | |
| C23 | N7 | sing | 1.35Å | 1.32Å | |
| C32 | N8 | sing | 1.35Å | 1.33Å | |
| C41 | N9 | sing | 1.35Å | 1.34Å | |
| C50 | N10 | sing | 1.35Å | 1.32Å | |
| C55 | N14 | sing | 1.35Å | 1.33Å | |
| C61 | N15 | sing | 1.35Å | 1.33Å | |
| C66 | N16 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 90.0° | 111.0° |
| C1 | N1 | H2 | 90.0° | 110.9° |
| N1 | C1 | C2 | 90.0° | 109.5° |
| N1 | C1 | C3 | 90.0° | 109.5° |
| N1 | C1 | H3 | 90.0° | 109.5° |
| H1 | N1 | H2 | 90.0° | 111.0° |
| C2 | C1 | C3 | 90.0° | 109.5° |
| C2 | C1 | H3 | 90.0° | 109.5° |
| C1 | C2 | O1 | 90.0° | 120.0° |
| C1 | C2 | N2 | 90.0° | 120.0° |
| C3 | C1 | H3 | 90.0° | 109.4° |
| C1 | C3 | C4 | 90.0° | 109.5° |
| C1 | C3 | C5 | 90.0° | 109.5° |
| C1 | C3 | H4 | 90.0° | 109.5° |
| O1 | C2 | N2 | 90.0° | 120.0° |
| C4 | C3 | C5 | 90.0° | 109.5° |
| C4 | C3 | H4 | 90.0° | 109.5° |
| C3 | C4 | H5 | 90.0° | 109.5° |
| C3 | C4 | H6 | 90.0° | 109.5° |
| C3 | C4 | H7 | 90.0° | 109.5° |
| C5 | C3 | H4 | 90.0° | 109.5° |
| C3 | C5 | H8 | 90.0° | 109.5° |
| C3 | C5 | H9 | 90.0° | 109.5° |
| C3 | C5 | H10 | 90.0° | 109.5° |
| H5 | C4 | H6 | 90.0° | 109.4° |
| H5 | C4 | H7 | 90.0° | 109.4° |
| H6 | C4 | H7 | 90.0° | 109.5° |
| H8 | C5 | H9 | 90.0° | 109.4° |
| H8 | C5 | H10 | 90.0° | 109.5° |
| H9 | C5 | H10 | 90.0° | 109.4° |
| C6 | N2 | H11 | 90.0° | 120.0° |
| N2 | C6 | C7 | 90.0° | 109.5° |
| N2 | C6 | C8 | 90.0° | 109.5° |
| N2 | C6 | H12 | 90.0° | 109.5° |
| C6 | N2 | C2 | 90.0° | 120.0° |
| H11 | N2 | C2 | 90.0° | 120.0° |
| C7 | C6 | C8 | 90.0° | 109.5° |
| C7 | C6 | H12 | 90.0° | 109.5° |
| C6 | C7 | O2 | 90.0° | 120.0° |
| C6 | C7 | N3 | 90.0° | 120.0° |
| C8 | C6 | H12 | 90.0° | 109.4° |
| C6 | C8 | C9 | 90.0° | 109.5° |
| C6 | C8 | H13 | 90.0° | 109.4° |
| C6 | C8 | H14 | 90.0° | 109.4° |
| O2 | C7 | N3 | 90.0° | 120.0° |
| C9 | C8 | H13 | 90.0° | 109.5° |
| C9 | C8 | H14 | 90.0° | 109.5° |
| C8 | C9 | O3 | 90.0° | 120.0° |
| C8 | C9 | O4 | 90.0° | 119.9° |
| H13 | C8 | H14 | 90.0° | 109.4° |
| O3 | C9 | O4 | 90.0° | 120.0° |
| C9 | O4 | H15 | 90.0° | 117.0° |
| C10 | N3 | H16 | 90.0° | 120.0° |
| N3 | C10 | C11 | 90.0° | 109.4° |
| N3 | C10 | C12 | 90.0° | 109.5° |
| N3 | C10 | H17 | 90.0° | 109.4° |
| C10 | N3 | C7 | 90.0° | 120.0° |
| H16 | N3 | C7 | 90.0° | 120.0° |
| C11 | C10 | C12 | 90.0° | 109.5° |
| C11 | C10 | H17 | 90.0° | 109.5° |
| C10 | C11 | O5 | 90.0° | 120.0° |
| C10 | C11 | N5 | 90.0° | 120.0° |
| C12 | C10 | H17 | 90.0° | 109.5° |
| C10 | C12 | C13 | 90.0° | 109.4° |
| C10 | C12 | H18 | 90.0° | 109.5° |
| C10 | C12 | H19 | 90.0° | 109.5° |
| O5 | C11 | N5 | 90.0° | 120.0° |
| C13 | C12 | H18 | 90.0° | 109.5° |
| C13 | C12 | H19 | 90.0° | 109.4° |
| C12 | C13 | C14 | 90.0° | 109.4° |
| C12 | C13 | H20 | 90.0° | 109.5° |
| C12 | C13 | H21 | 90.0° | 109.5° |
| H18 | C12 | H19 | 90.0° | 109.5° |
| C14 | C13 | H20 | 90.0° | 109.5° |
| C14 | C13 | H21 | 90.0° | 109.4° |
| C13 | C14 | C15 | 90.0° | 109.4° |
| C13 | C14 | H22 | 90.0° | 109.5° |
| C13 | C14 | H23 | 90.0° | 109.4° |
| H20 | C13 | H21 | 90.0° | 109.5° |
| C15 | C14 | H22 | 90.0° | 109.5° |
| C15 | C14 | H23 | 90.0° | 109.5° |
| C14 | C15 | N4 | 90.0° | 109.5° |
| C14 | C15 | H24 | 90.0° | 109.5° |
| C14 | C15 | H25 | 90.0° | 109.4° |
| H22 | C14 | H23 | 90.0° | 109.5° |
| N4 | C15 | H24 | 90.0° | 109.5° |
| N4 | C15 | H25 | 90.0° | 109.5° |
| C15 | N4 | H26 | 90.0° | 109.5° |
| C15 | N4 | H27 | 90.0° | 109.5° |
| C15 | N4 | H28 | 90.0° | 109.4° |
| H24 | C15 | H25 | 90.0° | 109.5° |
| H26 | N4 | H27 | 90.0° | 109.5° |
| H26 | N4 | H28 | 90.0° | 109.5° |
| H27 | N4 | H28 | 90.0° | 109.5° |
| C16 | N5 | H29 | 132.0° | 120.0° |
| N5 | C16 | C17 | 113.3° | 109.4° |
| N5 | C16 | C18 | 112.7° | 109.5° |
| N5 | C16 | H30 | 105.4° | 109.5° |
| C16 | N5 | C11 | 96.1° | 120.0° |
| H29 | N5 | C11 | 132.0° | 120.0° |
| C17 | C16 | C18 | 114.4° | 109.5° |
| C17 | C16 | H30 | 105.0° | 109.4° |
| C16 | C17 | O6 | 122.2° | 120.0° |
| C16 | C17 | N6 | 114.8° | 120.0° |
| C18 | C16 | H30 | 104.7° | 109.5° |
| C16 | C18 | C19 | 122.9° | 109.5° |
| C16 | C18 | H31 | 106.0° | 109.5° |
| C16 | C18 | H32 | 106.0° | 109.5° |
| O6 | C17 | N6 | 123.0° | 120.0° |
| C19 | C18 | H31 | 106.0° | 109.5° |
| C19 | C18 | H32 | 106.0° | 109.4° |
| C18 | C19 | C20 | 116.4° | 109.5° |
| C18 | C19 | C21 | 111.0° | 109.5° |
| C18 | C19 | H33 | 106.6° | 109.4° |
| H31 | C18 | H32 | 109.5° | 109.5° |
| C20 | C19 | C21 | 108.9° | 109.5° |
| C20 | C19 | H33 | 106.7° | 109.5° |
| C19 | C20 | H34 | 109.5° | 109.5° |
| C19 | C20 | H35 | 109.5° | 109.5° |
| C19 | C20 | H36 | 109.5° | 109.5° |
| C21 | C19 | H33 | 106.8° | 109.5° |
| C19 | C21 | H37 | 109.5° | 109.4° |
| C19 | C21 | H38 | 109.4° | 109.5° |
| C19 | C21 | H39 | 109.5° | 109.5° |
| H34 | C20 | H35 | 109.5° | 109.5° |
| H34 | C20 | H36 | 109.4° | 109.4° |
| H35 | C20 | H36 | 109.4° | 109.5° |
| H37 | C21 | H38 | 109.5° | 109.5° |
| H37 | C21 | H39 | 109.4° | 109.4° |
| H38 | C21 | H39 | 109.5° | 109.5° |
| C22 | N6 | H40 | 118.3° | 120.0° |
| N6 | C22 | C23 | 110.3° | 109.5° |
| N6 | C22 | C24 | 107.7° | 109.5° |
| N6 | C22 | H41 | 112.9° | 109.5° |
| C22 | N6 | C17 | 123.5° | 120.0° |
| H40 | N6 | C17 | 118.2° | 120.0° |
| C23 | C22 | C24 | 104.0° | 109.4° |
| C23 | C22 | H41 | 110.8° | 109.5° |
| C22 | C23 | O7 | 120.1° | 120.0° |
| C22 | C23 | N7 | 115.3° | 120.0° |
| C24 | C22 | H41 | 110.7° | 109.5° |
| C22 | C24 | C25 | 112.7° | 109.4° |
| C22 | C24 | H42 | 108.6° | 109.5° |
| C22 | C24 | H43 | 108.7° | 109.5° |
| O7 | C23 | N7 | 124.6° | 119.9° |
| C25 | C24 | H42 | 108.7° | 109.4° |
| C25 | C24 | H43 | 108.6° | 109.5° |
| C24 | C25 | C26 | 119.1° | 119.9° |
| C24 | C25 | C27 | 122.2° | 120.0° |
| H42 | C24 | H43 | 109.5° | 109.5° |
| C26 | C25 | C27 | 118.1° | 120.1° |
| C25 | C26 | C28 | 122.3° | 120.0° |
| C25 | C26 | H44 | 118.9° | 120.0° |
| C25 | C27 | C29 | 120.2° | 120.0° |
| C25 | C27 | H45 | 119.9° | 120.0° |
| C28 | C26 | H44 | 118.8° | 120.0° |
| C26 | C28 | C30 | 118.7° | 119.9° |
| C26 | C28 | H46 | 120.7° | 120.0° |
| C29 | C27 | H45 | 119.9° | 120.0° |
| C27 | C29 | C30 | 119.0° | 120.0° |
| C27 | C29 | H47 | 120.5° | 120.0° |
| C30 | C28 | H46 | 120.7° | 120.0° |
| C28 | C30 | C29 | 121.4° | 119.9° |
| C28 | C30 | O8 | 116.3° | 120.0° |
| C30 | C29 | H47 | 120.5° | 120.0° |
| C29 | C30 | O8 | 122.3° | 120.1° |
| C30 | O8 | H48 | 109.5° | 114.0° |
| C31 | N7 | H49 | 119.6° | 120.0° |
| N7 | C31 | C32 | 110.6° | 109.5° |
| N7 | C31 | C33 | 108.5° | 109.5° |
| N7 | C31 | H50 | 110.0° | 109.4° |
| C31 | N7 | C23 | 120.8° | 120.1° |
| H49 | N7 | C23 | 119.6° | 120.0° |
| C32 | C31 | C33 | 109.9° | 109.5° |
| C32 | C31 | H50 | 109.1° | 109.5° |
| C31 | C32 | O9 | 121.9° | 120.0° |
| C31 | C32 | N8 | 114.1° | 120.0° |
| C33 | C31 | H50 | 108.6° | 109.5° |
| C31 | C33 | C34 | 112.2° | 109.5° |
| C31 | C33 | H51 | 108.8° | 109.5° |
| C31 | C33 | H52 | 108.8° | 109.5° |
| O9 | C32 | N8 | 123.8° | 120.0° |
| C34 | C33 | H51 | 108.8° | 109.5° |
| C34 | C33 | H52 | 108.8° | 109.5° |
| C33 | C34 | C35 | 111.7° | 109.5° |
| C33 | C34 | C39 | 109.8° | 109.5° |
| C33 | C34 | H53 | 108.6° | 109.5° |
| H51 | C33 | H52 | 109.5° | 109.5° |
| C35 | C34 | C39 | 109.3° | 109.4° |
| C35 | C34 | H53 | 108.4° | 109.5° |
| C34 | C35 | C36 | 109.0° | 109.5° |
| C34 | C35 | H54 | 109.6° | 109.4° |
| C34 | C35 | H55 | 109.6° | 109.5° |
| C39 | C34 | H53 | 109.1° | 109.5° |
| C34 | C39 | C38 | 114.6° | 109.5° |
| C34 | C39 | H62 | 108.2° | 109.5° |
| C34 | C39 | H63 | 108.2° | 109.4° |
| C36 | C35 | H54 | 109.6° | 109.5° |
| C36 | C35 | H55 | 109.6° | 109.4° |
| C35 | C36 | C37 | 109.7° | 109.5° |
| C35 | C36 | H56 | 109.4° | 109.5° |
| C35 | C36 | H57 | 109.4° | 109.5° |
| H54 | C35 | H55 | 109.4° | 109.5° |
| C37 | C36 | H56 | 109.4° | 109.5° |
| C37 | C36 | H57 | 109.4° | 109.4° |
| C36 | C37 | C38 | 105.9° | 109.5° |
| C36 | C37 | H58 | 110.4° | 109.5° |
| C36 | C37 | H59 | 110.4° | 109.5° |
| H56 | C36 | H57 | 109.4° | 109.5° |
| C38 | C37 | H58 | 110.4° | 109.5° |
| C38 | C37 | H59 | 110.4° | 109.4° |
| C37 | C38 | C39 | 109.2° | 109.5° |
| C37 | C38 | H60 | 109.5° | 109.5° |
| C37 | C38 | H61 | 109.5° | 109.5° |
| H58 | C37 | H59 | 109.4° | 109.5° |
| C39 | C38 | H60 | 109.5° | 109.5° |
| C39 | C38 | H61 | 109.5° | 109.4° |
| C38 | C39 | H62 | 108.2° | 109.5° |
| C38 | C39 | H63 | 108.2° | 109.5° |
| H60 | C38 | H61 | 109.5° | 109.4° |
| H62 | C39 | H63 | 109.4° | 109.5° |
| C40 | N8 | H64 | 119.8° | 120.0° |
| N8 | C40 | C41 | 107.3° | 109.5° |
| N8 | C40 | C42 | 112.3° | 109.4° |
| N8 | C40 | H65 | 110.2° | 109.5° |
| C40 | N8 | C32 | 120.4° | 120.0° |
| H64 | N8 | C32 | 119.9° | 120.0° |
| C41 | C40 | C42 | 108.7° | 109.5° |
| C41 | C40 | H65 | 108.8° | 109.5° |
| C40 | C41 | O10 | 120.7° | 120.0° |
| C40 | C41 | N9 | 116.4° | 120.0° |
| C42 | C40 | H65 | 109.4° | 109.4° |
| C40 | C42 | C43 | 110.0° | 109.4° |
| C40 | C42 | H66 | 109.4° | 109.4° |
| C40 | C42 | H67 | 109.3° | 109.4° |
| O10 | C41 | N9 | 122.9° | 120.0° |
| C43 | C42 | H66 | 109.3° | 109.5° |
| C43 | C42 | H67 | 109.3° | 109.5° |
| C42 | C43 | C44 | 104.2° | 109.4° |
| C42 | C43 | C48 | 107.5° | 109.5° |
| C42 | C43 | H68 | 110.7° | 109.5° |
| H66 | C42 | H67 | 109.5° | 109.5° |
| C44 | C43 | C48 | 112.1° | 109.5° |
| C44 | C43 | H68 | 110.9° | 109.4° |
| C43 | C44 | C45 | 110.2° | 109.4° |
| C43 | C44 | H69 | 109.3° | 109.5° |
| C43 | C44 | H70 | 109.3° | 109.4° |
| C48 | C43 | H68 | 111.2° | 109.5° |
| C43 | C48 | C47 | 104.8° | 109.5° |
| C43 | C48 | H77 | 110.6° | 109.5° |
| C43 | C48 | H78 | 110.6° | 109.5° |
| C45 | C44 | H69 | 109.3° | 109.5° |
| C45 | C44 | H70 | 109.3° | 109.5° |
| C44 | C45 | C46 | 106.9° | 109.5° |
| C44 | C45 | H71 | 110.1° | 109.5° |
| C44 | C45 | H72 | 110.1° | 109.4° |
| H69 | C44 | H70 | 109.5° | 109.5° |
| C46 | C45 | H71 | 110.1° | 109.5° |
| C46 | C45 | H72 | 110.1° | 109.5° |
| C45 | C46 | C47 | 109.3° | 109.5° |
| C45 | C46 | H73 | 109.5° | 109.5° |
| C45 | C46 | H74 | 109.5° | 109.5° |
| H71 | C45 | H72 | 109.4° | 109.4° |
| C47 | C46 | H73 | 109.5° | 109.5° |
| C47 | C46 | H74 | 109.5° | 109.4° |
| C46 | C47 | C48 | 116.2° | 109.5° |
| C46 | C47 | H75 | 107.8° | 109.4° |
| C46 | C47 | H76 | 107.8° | 109.5° |
| H73 | C46 | H74 | 109.5° | 109.4° |
| C48 | C47 | H75 | 107.7° | 109.4° |
| C48 | C47 | H76 | 107.8° | 109.5° |
| C47 | C48 | H77 | 110.6° | 109.4° |
| C47 | C48 | H78 | 110.6° | 109.5° |
| H75 | C47 | H76 | 109.5° | 109.5° |
| H77 | C48 | H78 | 109.5° | 109.4° |
| C49 | N9 | C53 | 113.1° | 108.7° |
| N9 | C49 | C50 | 112.5° | 109.9° |
| N9 | C49 | C51 | 103.4° | 107.3° |
| N9 | C49 | H79 | 111.0° | 109.9° |
| C49 | N9 | C41 | 116.1° | 125.7° |
| N9 | C53 | C52 | 102.3° | 104.7° |
| N9 | C53 | H84 | 111.2° | 110.4° |
| N9 | C53 | H85 | 111.2° | 110.4° |
| C53 | N9 | C41 | 130.7° | 125.6° |
| C50 | C49 | C51 | 109.2° | 109.9° |
| C50 | C49 | H79 | 110.3° | 109.8° |
| C49 | C50 | O11 | 122.5° | 120.0° |
| C49 | C50 | N10 | 113.8° | 120.0° |
| C51 | C49 | H79 | 110.1° | 110.0° |
| C49 | C51 | C52 | 103.8° | 102.9° |
| C49 | C51 | H80 | 110.9° | 110.7° |
| C49 | C51 | H81 | 110.9° | 110.7° |
| O11 | C50 | N10 | 123.6° | 120.0° |
| C52 | C51 | H80 | 110.9° | 110.7° |
| C52 | C51 | H81 | 110.9° | 110.7° |
| C51 | C52 | C53 | 104.4° | 101.4° |
| C51 | C52 | H82 | 110.7° | 111.0° |
| C51 | C52 | H83 | 110.7° | 111.0° |
| H80 | C51 | H81 | 109.5° | 110.8° |
| C53 | C52 | H82 | 110.7° | 111.2° |
| C53 | C52 | H83 | 110.7° | 110.9° |
| C52 | C53 | H84 | 111.3° | 110.5° |
| C52 | C53 | H85 | 111.3° | 110.3° |
| H82 | C52 | H83 | 109.5° | 111.0° |
| H84 | C53 | H85 | 109.4° | 110.4° |
| C54 | N10 | H86 | 118.6° | 120.0° |
| N10 | C54 | C55 | 108.4° | 109.4° |
| N10 | C54 | C56 | 110.1° | 109.5° |
| N10 | C54 | H87 | 109.0° | 109.5° |
| C54 | N10 | C50 | 122.9° | 120.0° |
| H86 | N10 | C50 | 118.5° | 120.0° |
| C55 | C54 | C56 | 111.9° | 109.5° |
| C55 | C54 | H87 | 108.8° | 109.4° |
| C54 | C55 | O12 | 123.1° | 120.0° |
| C54 | C55 | N14 | 115.8° | 120.0° |
| C56 | C54 | H87 | 108.6° | 109.5° |
| C54 | C56 | C57 | 109.1° | 109.5° |
| C54 | C56 | H88 | 109.6° | 109.5° |
| C54 | C56 | H89 | 109.6° | 109.4° |
| O12 | C55 | N14 | 121.0° | 120.0° |
| C57 | C56 | H88 | 109.6° | 109.5° |
| C57 | C56 | H89 | 109.6° | 109.5° |
| C56 | C57 | C58 | 113.3° | 109.5° |
| C56 | C57 | H90 | 108.5° | 109.5° |
| C56 | C57 | H91 | 108.5° | 109.5° |
| H88 | C56 | H89 | 109.5° | 109.5° |
| C58 | C57 | H90 | 108.5° | 109.5° |
| C58 | C57 | H91 | 108.5° | 109.4° |
| C57 | C58 | N11 | 110.1° | 109.5° |
| C57 | C58 | H92 | 109.3° | 109.5° |
| C57 | C58 | H93 | 109.3° | 109.5° |
| H90 | C57 | H91 | 109.4° | 109.5° |
| N11 | C58 | H92 | 109.3° | 109.4° |
| N11 | C58 | H93 | 109.3° | 109.5° |
| C58 | N11 | C59 | 124.0° | 120.0° |
| C58 | N11 | H94 | 118.0° | 120.0° |
| H92 | C58 | H93 | 109.5° | 109.5° |
| C59 | N11 | H94 | 118.0° | 120.0° |
| N11 | C59 | N12 | 119.0° | 120.0° |
| N11 | C59 | N13 | 120.2° | 120.0° |
| N12 | C59 | N13 | 120.7° | 120.0° |
| C59 | N12 | H95 | 120.0° | 120.0° |
| C59 | N12 | H96 | 120.0° | 119.9° |
| C59 | N13 | H97 | 120.0° | 120.0° |
| C59 | N13 | H98 | 120.0° | 120.0° |
| H95 | N12 | H96 | 120.0° | 120.1° |
| H97 | N13 | H98 | 120.0° | 119.9° |
| C60 | N14 | C64 | 114.2° | 108.7° |
| N14 | C60 | C61 | 114.6° | 109.9° |
| N14 | C60 | C62 | 103.0° | 107.3° |
| N14 | C60 | H99 | 110.9° | 109.9° |
| C60 | N14 | C55 | 114.3° | 125.6° |
| N14 | C64 | C63 | 100.7° | 104.7° |
| N14 | C64 | H104 | 111.6° | 110.4° |
| N14 | C64 | H105 | 111.6° | 110.3° |
| C64 | N14 | C55 | 131.1° | 125.7° |
| C61 | C60 | C62 | 108.0° | 109.9° |
| C61 | C60 | H99 | 109.9° | 109.9° |
| C60 | C61 | O13 | 119.5° | 120.0° |
| C60 | C61 | N15 | 115.1° | 120.0° |
| C62 | C60 | H99 | 110.2° | 110.0° |
| C60 | C62 | C63 | 103.4° | 102.9° |
| C60 | C62 | H100 | 111.0° | 110.8° |
| C60 | C62 | H101 | 111.0° | 110.7° |
| O13 | C61 | N15 | 125.1° | 120.0° |
| C63 | C62 | H100 | 111.0° | 110.7° |
| C63 | C62 | H101 | 111.0° | 110.7° |
| C62 | C63 | C64 | 105.7° | 101.5° |
| C62 | C63 | H102 | 110.4° | 111.0° |
| C62 | C63 | H103 | 110.4° | 111.0° |
| H100 | C62 | H101 | 109.5° | 110.8° |
| C64 | C63 | H102 | 110.4° | 111.2° |
| C64 | C63 | H103 | 110.4° | 110.9° |
| C63 | C64 | H104 | 111.6° | 110.5° |
| C63 | C64 | H105 | 111.6° | 110.4° |
| H102 | C63 | H103 | 109.5° | 110.9° |
| H104 | C64 | H105 | 109.5° | 110.4° |
| C65 | N15 | H106 | 120.7° | 120.0° |
| N15 | C65 | C66 | 107.9° | 109.5° |
| N15 | C65 | C67 | 111.7° | 109.5° |
| N15 | C65 | H107 | 109.1° | 109.5° |
| C65 | N15 | C61 | 118.6° | 120.0° |
| H106 | N15 | C61 | 120.7° | 120.0° |
| C66 | C65 | C67 | 111.2° | 109.5° |
| C66 | C65 | H107 | 108.2° | 109.4° |
| C65 | C66 | O14 | 122.0° | 120.0° |
| C65 | C66 | N16 | 115.8° | 120.0° |
| C67 | C65 | H107 | 108.6° | 109.5° |
| C65 | C67 | O15 | 107.6° | 109.4° |
| C65 | C67 | C68 | 107.6° | 109.4° |
| C65 | C67 | H108 | 111.1° | 109.5° |
| O14 | C66 | N16 | 122.2° | 120.0° |
| O15 | C67 | C68 | 107.2° | 109.5° |
| O15 | C67 | H108 | 112.4° | 109.5° |
| C67 | O15 | H109 | 109.5° | 114.1° |
| C68 | C67 | H108 | 110.7° | 109.5° |
| C67 | C68 | H110 | 109.5° | 109.5° |
| C67 | C68 | H111 | 109.5° | 109.4° |
| C67 | C68 | H112 | 109.5° | 109.5° |
| H110 | C68 | H111 | 109.5° | 109.5° |
| H110 | C68 | H112 | 109.5° | 109.5° |
| H111 | C68 | H112 | 109.5° | 109.5° |
| C69 | N16 | H113 | 109.7° | 120.0° |
| N16 | C69 | C70 | 90.0° | 109.5° |
| N16 | C69 | C71 | 90.0° | 109.5° |
| N16 | C69 | H114 | 90.0° | 109.5° |
| C69 | N16 | C66 | 140.5° | 120.0° |
| H113 | N16 | C66 | 109.7° | 120.0° |
| C70 | C69 | C71 | 90.0° | 109.5° |
| C70 | C69 | H114 | 90.0° | 109.4° |
| C69 | C70 | O16 | 90.0° | 120.0° |
| C69 | C70 | O18 | 90.0° | 120.0° |
| C71 | C69 | H114 | 90.0° | 109.5° |
| C69 | C71 | O17 | 90.0° | 109.5° |
| C69 | C71 | C72 | 90.0° | 109.5° |
| C69 | C71 | H115 | 90.0° | 109.5° |
| O16 | C70 | O18 | 90.0° | 120.0° |
| C70 | O18 | H120 | 90.0° | 117.0° |
| O17 | C71 | C72 | 90.0° | 109.5° |
| O17 | C71 | H115 | 90.0° | 109.5° |
| C71 | O17 | H116 | 90.0° | 114.0° |
| C72 | C71 | H115 | 90.0° | 109.5° |
| C71 | C72 | H117 | 90.0° | 109.5° |
| C71 | C72 | H118 | 90.0° | 109.5° |
| C71 | C72 | H119 | 90.0° | 109.4° |
| H117 | C72 | H118 | 90.0° | 109.5° |
| H117 | C72 | H119 | 90.0° | 109.5° |
| H118 | C72 | H119 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 90.0° | 124.0° |
| N1 | C1 | C2 | C3 | 90.0° | 120.0° |
| N1 | C1 | C2 | H3 | 90.0° | 120.0° |
| N1 | C1 | C3 | H3 | 90.0° | 119.9° |
| N1 | C1 | C2 | O1 | 90.0° | 20.0° |
| N1 | C1 | C3 | C4 | 90.0° | 55.0° |
| N1 | C1 | C3 | C5 | 90.0° | 65.0° |
| N1 | C1 | C3 | H4 | 90.0° | 175.0° |
| N1 | C1 | C2 | N2 | 90.0° | 160.0° |
| H1 | N1 | C1 | C2 | 90.0° | 176.0° |
| H1 | N1 | C1 | C3 | 90.0° | 63.9° |
| H1 | N1 | C1 | H3 | 90.0° | 56.0° |
| H2 | N1 | C1 | C2 | 90.0° | 60.0° |
| H2 | N1 | C1 | C3 | 90.0° | 60.1° |
| H2 | N1 | C1 | H3 | 90.0° | 180.0° |
| C2 | C1 | C3 | H3 | 90.0° | 120.0° |
| C1 | C2 | O1 | N2 | 90.0° | 179.9° |
| C2 | C1 | C3 | C4 | 90.0° | 65.0° |
| C2 | C1 | C3 | C5 | 90.0° | 175.0° |
| C2 | C1 | C3 | H4 | 90.0° | 55.0° |
| C1 | C2 | N2 | C6 | 90.0° | 174.9° |
| C1 | C2 | N2 | H11 | 90.0° | 5.0° |
| C3 | C1 | C2 | O1 | 90.0° | 100.1° |
| C1 | C3 | C4 | C5 | 90.0° | 120.0° |
| C1 | C3 | C4 | H4 | 90.0° | 120.0° |
| C1 | C3 | C5 | H4 | 90.0° | 120.0° |
| C1 | C3 | C4 | H5 | 90.0° | 180.0° |
| C1 | C3 | C4 | H6 | 90.0° | 60.0° |
| C1 | C3 | C4 | H7 | 90.0° | 60.0° |
| C1 | C3 | C5 | H8 | 90.0° | 60.0° |
| C1 | C3 | C5 | H9 | 90.0° | 180.0° |
| C1 | C3 | C5 | H10 | 90.0° | 60.0° |
| C3 | C1 | C2 | N2 | 90.0° | 80.0° |
| H3 | C1 | C2 | O1 | 90.0° | 140.0° |
| H3 | C1 | C3 | C4 | 90.0° | 175.0° |
| H3 | C1 | C3 | C5 | 90.0° | 55.0° |
| H3 | C1 | C3 | H4 | 90.0° | 65.0° |
| H3 | C1 | C2 | N2 | 90.0° | 40.0° |
| O1 | C2 | N2 | C6 | 90.0° | 5.0° |
| O1 | C2 | N2 | H11 | 90.0° | 175.0° |
| C4 | C3 | C5 | H4 | 90.0° | 120.0° |
| C3 | C4 | H5 | H6 | 90.0° | 120.0° |
| C3 | C4 | H5 | H7 | 90.0° | 120.0° |
| C3 | C4 | H6 | H7 | 90.0° | 120.0° |
| C4 | C3 | C5 | H8 | 90.0° | 180.0° |
| C4 | C3 | C5 | H9 | 90.0° | 60.0° |
| C4 | C3 | C5 | H10 | 90.0° | 60.0° |
| C5 | C3 | C4 | H5 | 90.0° | 60.0° |
| C5 | C3 | C4 | H6 | 90.0° | 180.0° |
| C5 | C3 | C4 | H7 | 90.0° | 60.0° |
| C3 | C5 | H8 | H9 | 90.0° | 120.0° |
| C3 | C5 | H8 | H10 | 90.0° | 120.1° |
| C3 | C5 | H9 | H10 | 90.0° | 120.0° |
| H4 | C3 | C4 | H5 | 90.0° | 60.0° |
| H4 | C3 | C4 | H6 | 90.0° | 60.0° |
| H4 | C3 | C4 | H7 | 90.0° | 180.0° |
| H4 | C3 | C5 | H8 | 90.0° | 60.0° |
| H4 | C3 | C5 | H9 | 90.0° | 60.0° |
| H4 | C3 | C5 | H10 | 90.0° | 179.9° |
| H5 | C4 | H6 | H7 | 90.0° | 119.9° |
| H8 | C5 | H9 | H10 | 90.0° | 119.9° |
| C6 | N2 | H11 | C2 | 90.0° | 180.0° |
| N2 | C6 | C7 | C8 | 90.0° | 120.0° |
| N2 | C6 | C7 | H12 | 90.0° | 120.0° |
| N2 | C6 | C8 | H12 | 90.0° | 120.0° |
| N2 | C6 | C7 | O2 | 90.0° | 0.0° |
| N2 | C6 | C8 | C9 | 90.0° | 65.9° |
| N2 | C6 | C8 | H13 | 90.0° | 174.1° |
| N2 | C6 | C8 | H14 | 90.0° | 54.2° |
| N2 | C6 | C7 | N3 | 90.0° | 180.0° |
| H11 | N2 | C6 | C7 | 90.0° | 92.3° |
| H11 | N2 | C6 | C8 | 90.0° | 27.8° |
| H11 | N2 | C6 | H12 | 90.0° | 147.7° |
| C7 | C6 | C8 | H12 | 90.0° | 120.0° |
| C6 | C7 | O2 | N3 | 90.0° | 180.0° |
| C7 | C6 | C8 | C9 | 90.0° | 174.1° |
| C7 | C6 | C8 | H13 | 90.0° | 54.0° |
| C7 | C6 | C8 | H14 | 90.0° | 65.9° |
| C6 | C7 | N3 | C10 | 90.0° | 180.0° |
| C6 | C7 | N3 | H16 | 90.0° | 0.0° |
| C7 | C6 | N2 | C2 | 90.0° | 87.8° |
| C8 | C6 | C7 | O2 | 90.0° | 120.0° |
| C6 | C8 | C9 | H13 | 90.0° | 120.0° |
| C6 | C8 | C9 | H14 | 90.0° | 120.0° |
| C6 | C8 | H13 | H14 | 90.0° | 119.9° |
| C6 | C8 | C9 | O3 | 90.0° | 4.5° |
| C6 | C8 | C9 | O4 | 90.0° | 175.5° |
| C8 | C6 | N2 | C2 | 90.0° | 152.2° |
| C8 | C6 | C7 | N3 | 90.0° | 60.0° |
| H12 | C6 | C7 | O2 | 90.0° | 120.0° |
| H12 | C6 | C8 | C9 | 90.0° | 54.1° |
| H12 | C6 | C8 | H13 | 90.0° | 66.0° |
| H12 | C6 | C8 | H14 | 90.0° | 174.1° |
| H12 | C6 | N2 | C2 | 90.0° | 32.2° |
| H12 | C6 | C7 | N3 | 90.0° | 60.0° |
| O2 | C7 | N3 | C10 | 90.0° | 0.1° |
| O2 | C7 | N3 | H16 | 90.0° | 180.0° |
| C9 | C8 | H13 | H14 | 90.0° | 120.1° |
| C8 | C9 | O3 | O4 | 90.0° | 179.9° |
| C8 | C9 | O4 | H15 | 90.0° | 180.0° |
| H13 | C8 | C9 | O3 | 90.0° | 124.5° |
| H13 | C8 | C9 | O4 | 90.0° | 55.5° |
| H14 | C8 | C9 | O3 | 90.0° | 115.5° |
| H14 | C8 | C9 | O4 | 90.0° | 64.6° |
| O3 | C9 | O4 | H15 | 90.0° | 0.0° |
| C10 | N3 | H16 | C7 | 90.0° | 180.0° |
| N3 | C10 | C11 | C12 | 90.0° | 120.0° |
| N3 | C10 | C11 | H17 | 90.0° | 119.9° |
| N3 | C10 | C12 | H17 | 90.0° | 120.0° |
| N3 | C10 | C11 | O5 | 90.0° | 0.0° |
| N3 | C10 | C12 | C13 | 90.0° | 65.0° |
| N3 | C10 | C12 | H18 | 90.0° | 175.0° |
| N3 | C10 | C12 | H19 | 90.0° | 54.9° |
| N3 | C10 | C11 | N5 | 90.0° | 180.0° |
| H16 | N3 | C10 | C11 | 90.0° | 25.0° |
| H16 | N3 | C10 | C12 | 90.0° | 95.0° |
| H16 | N3 | C10 | H17 | 90.0° | 145.0° |
| C11 | C10 | C12 | H17 | 90.0° | 120.0° |
| C10 | C11 | O5 | N5 | 90.0° | 180.0° |
| C11 | C10 | C12 | C13 | 90.0° | 175.0° |
| C11 | C10 | C12 | H18 | 90.0° | 55.0° |
| C11 | C10 | C12 | H19 | 90.0° | 65.0° |
| C10 | C11 | N5 | C16 | 90.0° | 180.0° |
| C10 | C11 | N5 | H29 | 90.0° | 0.0° |
| C11 | C10 | N3 | C7 | 90.0° | 155.0° |
| C12 | C10 | C11 | O5 | 90.0° | 120.0° |
| C10 | C12 | C13 | H18 | 90.0° | 120.0° |
| C10 | C12 | C13 | H19 | 90.0° | 120.0° |
| C10 | C12 | H18 | H19 | 90.0° | 120.1° |
| C10 | C12 | C13 | C14 | 90.0° | 180.0° |
| C10 | C12 | C13 | H20 | 90.0° | 60.0° |
| C10 | C12 | C13 | H21 | 90.0° | 60.0° |
| C12 | C10 | N3 | C7 | 90.0° | 85.0° |
| C12 | C10 | C11 | N5 | 90.0° | 60.0° |
| H17 | C10 | C11 | O5 | 90.0° | 120.0° |
| H17 | C10 | C12 | C13 | 90.0° | 55.0° |
| H17 | C10 | C12 | H18 | 90.0° | 65.0° |
| H17 | C10 | C12 | H19 | 90.0° | 175.0° |
| H17 | C10 | N3 | C7 | 90.0° | 35.1° |
| H17 | C10 | C11 | N5 | 90.0° | 60.1° |
| O5 | C11 | N5 | C16 | 90.0° | 0.0° |
| O5 | C11 | N5 | H29 | 90.0° | 180.0° |
| C13 | C12 | H18 | H19 | 90.0° | 120.0° |
| C12 | C13 | C14 | H20 | 90.0° | 120.0° |
| C12 | C13 | C14 | H21 | 90.0° | 120.0° |
| C12 | C13 | H20 | H21 | 90.0° | 120.0° |
| C12 | C13 | C14 | C15 | 90.0° | NaN° |
| C12 | C13 | C14 | H22 | 90.0° | 60.0° |
| C12 | C13 | C14 | H23 | 90.0° | 60.0° |
| H18 | C12 | C13 | C14 | 90.0° | 60.0° |
| H18 | C12 | C13 | H20 | 90.0° | 180.0° |
| H18 | C12 | C13 | H21 | 90.0° | 59.9° |
| H19 | C12 | C13 | C14 | 90.0° | 60.0° |
| H19 | C12 | C13 | H20 | 90.0° | 60.0° |
| H19 | C12 | C13 | H21 | 90.0° | 180.0° |
| C14 | C13 | H20 | H21 | 90.0° | 120.0° |
| C13 | C14 | C15 | H22 | 90.0° | 120.0° |
| C13 | C14 | C15 | H23 | 90.0° | 119.9° |
| C13 | C14 | H22 | H23 | 90.0° | 120.0° |
| C13 | C14 | C15 | N4 | 90.0° | 180.0° |
| C13 | C14 | C15 | H24 | 90.0° | 60.0° |
| C13 | C14 | C15 | H25 | 90.0° | 60.0° |
| H20 | C13 | C14 | C15 | 90.0° | 60.0° |
| H20 | C13 | C14 | H22 | 90.0° | 180.0° |
| H20 | C13 | C14 | H23 | 90.0° | 60.0° |
| H21 | C13 | C14 | C15 | 90.0° | 60.0° |
| H21 | C13 | C14 | H22 | 90.0° | 60.0° |
| H21 | C13 | C14 | H23 | 90.0° | 180.0° |
| C15 | C14 | H22 | H23 | 90.0° | 120.0° |
| C14 | C15 | N4 | H24 | 90.0° | 120.0° |
| C14 | C15 | N4 | H25 | 90.0° | 120.0° |
| C14 | C15 | H24 | H25 | 90.0° | 120.0° |
| C14 | C15 | N4 | H26 | 90.0° | 180.0° |
| C14 | C15 | N4 | H27 | 90.0° | 60.0° |
| C14 | C15 | N4 | H28 | 90.0° | 60.0° |
| H22 | C14 | C15 | N4 | 90.0° | 60.0° |
| H22 | C14 | C15 | H24 | 90.0° | 180.0° |
| H22 | C14 | C15 | H25 | 90.0° | 60.0° |
| H23 | C14 | C15 | N4 | 90.0° | 60.1° |
| H23 | C14 | C15 | H24 | 90.0° | 59.9° |
| H23 | C14 | C15 | H25 | 90.0° | 180.0° |
| N4 | C15 | H24 | H25 | 90.0° | 120.0° |
| C15 | N4 | H26 | H27 | 90.0° | 120.0° |
| C15 | N4 | H26 | H28 | 90.0° | 120.0° |
| C15 | N4 | H27 | H28 | 90.0° | 120.0° |
| H24 | C15 | N4 | H26 | 90.0° | 60.0° |
| H24 | C15 | N4 | H27 | 90.0° | 180.0° |
| H24 | C15 | N4 | H28 | 90.0° | 60.0° |
| H25 | C15 | N4 | H26 | 90.0° | 60.0° |
| H25 | C15 | N4 | H27 | 90.0° | 60.0° |
| H25 | C15 | N4 | H28 | 90.0° | 180.0° |
| H26 | N4 | H27 | H28 | 90.0° | 120.0° |
| C16 | N5 | H29 | C11 | 180.0° | 180.0° |
| N5 | C16 | C17 | C18 | 131.1° | 120.0° |
| N5 | C16 | C17 | H30 | 114.6° | 120.0° |
| N5 | C16 | C18 | H30 | 114.1° | 120.0° |
| N5 | C16 | C17 | O6 | 36.7° | 0.0° |
| N5 | C16 | C18 | C19 | 78.6° | 65.0° |
| N5 | C16 | C18 | H31 | 43.2° | 55.0° |
| N5 | C16 | C18 | H32 | 159.6° | 175.0° |
| N5 | C16 | C17 | N6 | 141.3° | 180.0° |
| H29 | N5 | C16 | C17 | 121.0° | 25.1° |
| H29 | N5 | C16 | C18 | 107.1° | 95.0° |
| H29 | N5 | C16 | H30 | 6.6° | 145.0° |
| C17 | C16 | C18 | H30 | 114.5° | 120.0° |
| C16 | C17 | O6 | N6 | 177.9° | 179.9° |
| C17 | C16 | C18 | C19 | 150.0° | 175.0° |
| C17 | C16 | C18 | H31 | 88.2° | 65.0° |
| C17 | C16 | C18 | H32 | 28.2° | 55.0° |
| C16 | C17 | N6 | C22 | 169.3° | 180.0° |
| C16 | C17 | N6 | H40 | 10.7° | 0.1° |
| C17 | C16 | N5 | C11 | 59.0° | 155.0° |
| C18 | C16 | C17 | O6 | 94.4° | 120.0° |
| C16 | C18 | C19 | H31 | 121.8° | 120.0° |
| C16 | C18 | C19 | H32 | 121.8° | 119.9° |
| C16 | C18 | H31 | H32 | 114.0° | 120.0° |
| C16 | C18 | C19 | C20 | 33.7° | 175.0° |
| C16 | C18 | C19 | C21 | 158.9° | 65.0° |
| C16 | C18 | C19 | H33 | 85.2° | 55.0° |
| C18 | C16 | N5 | C11 | 72.9° | 85.0° |
| C18 | C16 | C17 | N6 | 87.6° | 60.0° |
| H30 | C16 | C17 | O6 | 151.3° | 120.0° |
| H30 | C16 | C18 | C19 | 35.5° | 55.0° |
| H30 | C16 | C18 | H31 | 157.3° | 175.0° |
| H30 | C16 | C18 | H32 | 86.3° | 65.0° |
| H30 | C16 | N5 | C11 | 173.4° | 35.0° |
| H30 | C16 | C17 | N6 | 26.7° | 60.1° |
| O6 | C17 | N6 | C22 | 8.7° | 0.0° |
| O6 | C17 | N6 | H40 | 171.3° | 180.0° |
| C19 | C18 | H31 | H32 | 114.0° | 120.0° |
| C18 | C19 | C20 | C21 | 126.3° | 120.0° |
| C18 | C19 | C20 | H33 | 118.8° | 119.9° |
| C18 | C19 | C21 | H33 | 115.8° | 119.9° |
| C18 | C19 | C20 | H34 | 180.0° | 60.0° |
| C18 | C19 | C20 | H35 | 60.0° | 180.0° |
| C18 | C19 | C20 | H36 | 60.0° | 59.9° |
| C18 | C19 | C21 | H37 | 180.0° | 60.0° |
| C18 | C19 | C21 | H38 | 60.0° | 59.9° |
| C18 | C19 | C21 | H39 | 60.0° | 180.0° |
| H31 | C18 | C19 | C20 | 88.1° | 55.0° |
| H31 | C18 | C19 | C21 | 37.1° | 175.0° |
| H31 | C18 | C19 | H33 | 153.0° | 65.0° |
| H32 | C18 | C19 | C20 | 155.5° | 65.0° |
| H32 | C18 | C19 | C21 | 79.3° | 55.0° |
| H32 | C18 | C19 | H33 | 36.6° | 175.0° |
| C20 | C19 | C21 | H33 | 114.9° | 120.0° |
| C19 | C20 | H34 | H35 | 120.0° | 120.0° |
| C19 | C20 | H34 | H36 | 120.0° | 120.0° |
| C19 | C20 | H35 | H36 | 120.0° | 120.1° |
| C20 | C19 | C21 | H37 | 50.7° | 60.0° |
| C20 | C19 | C21 | H38 | 69.3° | 180.0° |
| C20 | C19 | C21 | H39 | 170.7° | 59.9° |
| C21 | C19 | C20 | H34 | 53.7° | 60.0° |
| C21 | C19 | C20 | H35 | 173.7° | 60.0° |
| C21 | C19 | C20 | H36 | 66.3° | 179.9° |
| C19 | C21 | H37 | H38 | 120.0° | 120.0° |
| C19 | C21 | H37 | H39 | 120.0° | 119.9° |
| C19 | C21 | H38 | H39 | 120.0° | 120.0° |
| H33 | C19 | C20 | H34 | 61.2° | 179.9° |
| H33 | C19 | C20 | H35 | 58.8° | 60.1° |
| H33 | C19 | C20 | H36 | 178.8° | 60.0° |
| H33 | C19 | C21 | H37 | 64.2° | 180.0° |
| H33 | C19 | C21 | H38 | 175.7° | 60.0° |
| H33 | C19 | C21 | H39 | 55.7° | 60.1° |
| H34 | C20 | H35 | H36 | 119.9° | 119.9° |
| H37 | C21 | H38 | H39 | 120.0° | 120.0° |
| C22 | N6 | H40 | C17 | 180.0° | 180.0° |
| N6 | C22 | C23 | C24 | 115.3° | 120.0° |
| N6 | C22 | C23 | H41 | 125.7° | 120.0° |
| N6 | C22 | C24 | H41 | 123.8° | 120.0° |
| N6 | C22 | C23 | O7 | 100.6° | 0.0° |
| N6 | C22 | C24 | C25 | 67.9° | 65.0° |
| N6 | C22 | C24 | H42 | 52.6° | 55.0° |
| N6 | C22 | C24 | H43 | 171.6° | 175.0° |
| N6 | C22 | C23 | N7 | 80.6° | 180.0° |
| H40 | N6 | C22 | C23 | 44.2° | 25.0° |
| H40 | N6 | C22 | C24 | 68.7° | 95.0° |
| H40 | N6 | C22 | H41 | 168.8° | 145.0° |
| C23 | C22 | C24 | H41 | 119.1° | 120.0° |
| C22 | C23 | O7 | N7 | 178.7° | 179.9° |
| C23 | C22 | C24 | C25 | 175.0° | 175.0° |
| C23 | C22 | C24 | H42 | 64.5° | 65.0° |
| C23 | C22 | C24 | H43 | 54.5° | 55.0° |
| C22 | C23 | N7 | C31 | 175.4° | 180.0° |
| C22 | C23 | N7 | H49 | 4.6° | 0.0° |
| C23 | C22 | N6 | C17 | 135.8° | 155.0° |
| C24 | C22 | C23 | O7 | 14.7° | 120.0° |
| C22 | C24 | C25 | H42 | 120.5° | 120.0° |
| C22 | C24 | C25 | H43 | 120.5° | 120.0° |
| C22 | C24 | H42 | H43 | 118.5° | 120.0° |
| C22 | C24 | C25 | C26 | 73.6° | 90.0° |
| C22 | C24 | C25 | C27 | 97.3° | 90.3° |
| C24 | C22 | N6 | C17 | 111.3° | 85.0° |
| C24 | C22 | C23 | N7 | 164.1° | 60.0° |
| H41 | C22 | C23 | O7 | 133.7° | 119.9° |
| H41 | C22 | C24 | C25 | 55.9° | 55.0° |
| H41 | C22 | C24 | H42 | 176.4° | 175.0° |
| H41 | C22 | C24 | H43 | 64.6° | 65.0° |
| H41 | C22 | N6 | C17 | 11.2° | 35.0° |
| H41 | C22 | C23 | N7 | 45.1° | 60.0° |
| O7 | C23 | N7 | C31 | 5.8° | 0.0° |
| O7 | C23 | N7 | H49 | 174.2° | 179.9° |
| C25 | C24 | H42 | H43 | 118.5° | 120.0° |
| C24 | C25 | C26 | C27 | 171.2° | 179.7° |
| C24 | C25 | C26 | C28 | 177.3° | 180.0° |
| C24 | C25 | C26 | H44 | 2.7° | 0.1° |
| C24 | C25 | C27 | C29 | 177.7° | 179.9° |
| C24 | C25 | C27 | H45 | 2.3° | 0.0° |
| H42 | C24 | C25 | C26 | 166.0° | 30.0° |
| H42 | C24 | C25 | C27 | 23.2° | 149.8° |
| H43 | C24 | C25 | C26 | 46.9° | 150.0° |
| H43 | C24 | C25 | C27 | 142.2° | 29.7° |
| C25 | C26 | C28 | H44 | 180.0° | 180.0° |
| C26 | C25 | C27 | C29 | 6.8° | 0.2° |
| C26 | C25 | C27 | H45 | 173.2° | 179.7° |
| C25 | C26 | C28 | C30 | 3.5° | 0.0° |
| C25 | C26 | C28 | H46 | 176.5° | 180.0° |
| C27 | C25 | C26 | C28 | 6.1° | 0.3° |
| C27 | C25 | C26 | H44 | 173.9° | 179.8° |
| C25 | C27 | C29 | H45 | 180.0° | 180.0° |
| C25 | C27 | C29 | C30 | 5.0° | 0.0° |
| C25 | C27 | C29 | H47 | 175.0° | 179.9° |
| C26 | C28 | C30 | H46 | 180.0° | 180.0° |
| C26 | C28 | C30 | C29 | 1.5° | 0.3° |
| C26 | C28 | C30 | O8 | 178.8° | 179.9° |
| H44 | C26 | C28 | C30 | 176.5° | 180.0° |
| H44 | C26 | C28 | H46 | 3.5° | 0.0° |
| C27 | C29 | C30 | C28 | 2.4° | 0.3° |
| C27 | C29 | C30 | H47 | 180.0° | 180.0° |
| C27 | C29 | C30 | O8 | 178.0° | 179.9° |
| H45 | C27 | C29 | C30 | 175.0° | 180.0° |
| H45 | C27 | C29 | H47 | 5.0° | 0.0° |
| C28 | C30 | C29 | O8 | 179.6° | 179.8° |
| C28 | C30 | C29 | H47 | 177.6° | 179.7° |
| C28 | C30 | O8 | H48 | 180.0° | 90.1° |
| H46 | C28 | C30 | C29 | 178.4° | 179.8° |
| H46 | C28 | C30 | O8 | 1.2° | 0.0° |
| C29 | C30 | O8 | H48 | 0.3° | 89.7° |
| H47 | C29 | C30 | O8 | 2.0° | 0.1° |
| C31 | N7 | H49 | C23 | 180.0° | 180.0° |
| N7 | C31 | C32 | C33 | 119.8° | 120.0° |
| N7 | C31 | C32 | H50 | 121.1° | 120.0° |
| N7 | C31 | C33 | H50 | 119.6° | 120.0° |
| N7 | C31 | C32 | O9 | 44.8° | 0.0° |
| N7 | C31 | C33 | C34 | 65.7° | 65.0° |
| N7 | C31 | C33 | H51 | 54.7° | 55.0° |
| N7 | C31 | C33 | H52 | 173.9° | 175.0° |
| N7 | C31 | C32 | N8 | 141.2° | 179.9° |
| H49 | N7 | C31 | C32 | 59.9° | 25.0° |
| H49 | N7 | C31 | C33 | 60.8° | 95.0° |
| H49 | N7 | C31 | H50 | 179.5° | 145.0° |
| C32 | C31 | C33 | H50 | 119.4° | 120.0° |
| C31 | C32 | O9 | N8 | 173.4° | 180.0° |
| C32 | C31 | C33 | C34 | 173.2° | 175.0° |
| C32 | C31 | C33 | H51 | 66.4° | 65.0° |
| C32 | C31 | C33 | H52 | 52.8° | 55.0° |
| C31 | C32 | N8 | C40 | 178.7° | 180.0° |
| C31 | C32 | N8 | H64 | 1.4° | 0.0° |
| C32 | C31 | N7 | C23 | 120.1° | 155.0° |
| C33 | C31 | C32 | O9 | 75.0° | 120.0° |
| C31 | C33 | C34 | H51 | 120.4° | 120.0° |
| C31 | C33 | C34 | H52 | 120.4° | 120.0° |
| C31 | C33 | H51 | H52 | 118.7° | 120.0° |
| C31 | C33 | C34 | C35 | 168.3° | 175.0° |
| C31 | C33 | C34 | C39 | 70.4° | 65.0° |
| C31 | C33 | C34 | H53 | 48.8° | 55.0° |
| C33 | C31 | N7 | C23 | 119.2° | 85.0° |
| C33 | C31 | C32 | N8 | 99.0° | 60.0° |
| H50 | C31 | C32 | O9 | 165.9° | 120.0° |
| H50 | C31 | C33 | C34 | 53.8° | 55.0° |
| H50 | C31 | C33 | H51 | 174.3° | 175.0° |
| H50 | C31 | C33 | H52 | 66.6° | 65.0° |
| H50 | C31 | N7 | C23 | 0.5° | 35.0° |
| H50 | C31 | C32 | N8 | 20.1° | 60.0° |
| O9 | C32 | N8 | C40 | 7.5° | 0.1° |
| O9 | C32 | N8 | H64 | 172.5° | 180.0° |
| C34 | C33 | H51 | H52 | 118.7° | 120.0° |
| C33 | C34 | C35 | C39 | 121.6° | 120.0° |
| C33 | C34 | C35 | H53 | 119.6° | 120.0° |
| C33 | C34 | C39 | H53 | 118.9° | 120.0° |
| C33 | C34 | C35 | C36 | 174.8° | 180.0° |
| C33 | C34 | C35 | H54 | 65.3° | 60.0° |
| C33 | C34 | C35 | H55 | 54.8° | 60.0° |
| C33 | C34 | C39 | C38 | 175.0° | 180.0° |
| C33 | C34 | C39 | H62 | 54.3° | 59.9° |
| C33 | C34 | C39 | H63 | 64.2° | 60.0° |
| H51 | C33 | C34 | C35 | 47.9° | 55.0° |
| H51 | C33 | C34 | C39 | 169.2° | 175.0° |
| H51 | C33 | C34 | H53 | 71.6° | 65.0° |
| H52 | C33 | C34 | C35 | 71.3° | 65.0° |
| H52 | C33 | C34 | C39 | 50.0° | 55.0° |
| H52 | C33 | C34 | H53 | 169.2° | 175.0° |
| C35 | C34 | C39 | H53 | 118.3° | 120.0° |
| C34 | C35 | C36 | H54 | 120.0° | 120.0° |
| C34 | C35 | C36 | H55 | 119.9° | 120.0° |
| C34 | C35 | H54 | H55 | 120.2° | 120.0° |
| C34 | C35 | C36 | C37 | 62.9° | 60.0° |
| C34 | C35 | C36 | H56 | 57.2° | 60.0° |
| C34 | C35 | C36 | H57 | 177.1° | 180.0° |
| C35 | C34 | C39 | C38 | 52.3° | 60.0° |
| C35 | C34 | C39 | H62 | 68.5° | 60.0° |
| C35 | C34 | C39 | H63 | 173.1° | 180.0° |
| C39 | C34 | C35 | C36 | 53.1° | 60.0° |
| C39 | C34 | C35 | H54 | 173.1° | 180.0° |
| C39 | C34 | C35 | H55 | 66.8° | 59.9° |
| C34 | C39 | C38 | C37 | 57.8° | 60.0° |
| C34 | C39 | C38 | H62 | 120.7° | 120.1° |
| C34 | C39 | C38 | H63 | 120.8° | 120.0° |
| C34 | C39 | C38 | H60 | 62.1° | 60.0° |
| C34 | C39 | C38 | H61 | 177.7° | 180.0° |
| C34 | C39 | H62 | H63 | 117.7° | 120.0° |
| H53 | C34 | C35 | C36 | 65.6° | 60.0° |
| H53 | C34 | C35 | H54 | 54.4° | 60.0° |
| H53 | C34 | C35 | H55 | 174.5° | 180.0° |
| H53 | C34 | C39 | C38 | 66.0° | 60.0° |
| H53 | C34 | C39 | H62 | 173.2° | 180.0° |
| H53 | C34 | C39 | H63 | 54.8° | 60.0° |
| C36 | C35 | H54 | H55 | 120.2° | 120.0° |
| C35 | C36 | C37 | H56 | 120.1° | 120.1° |
| C35 | C36 | C37 | H57 | 120.1° | 120.0° |
| C35 | C36 | H56 | H57 | 119.9° | 120.0° |
| C35 | C36 | C37 | C38 | 66.8° | 60.0° |
| C35 | C36 | C37 | H58 | 173.8° | 180.0° |
| C35 | C36 | C37 | H59 | 52.7° | 59.9° |
| H54 | C35 | C36 | C37 | 177.2° | 180.0° |
| H54 | C35 | C36 | H56 | 62.8° | 59.9° |
| H54 | C35 | C36 | H57 | 57.1° | 60.1° |
| H55 | C35 | C36 | C37 | 57.1° | 60.0° |
| H55 | C35 | C36 | H56 | 177.1° | 180.0° |
| H55 | C35 | C36 | H57 | 63.0° | 60.0° |
| C37 | C36 | H56 | H57 | 119.9° | 120.0° |
| C36 | C37 | C38 | H58 | 119.5° | 120.0° |
| C36 | C37 | C38 | H59 | 119.5° | 120.0° |
| C36 | C37 | H58 | H59 | 121.6° | 120.0° |
| C36 | C37 | C38 | C39 | 62.2° | 60.0° |
| C36 | C37 | C38 | H60 | 57.7° | 60.0° |
| C36 | C37 | C38 | H61 | 177.8° | 180.0° |
| H56 | C36 | C37 | C38 | 53.3° | 60.1° |
| H56 | C36 | C37 | H58 | 66.2° | 59.9° |
| H56 | C36 | C37 | H59 | 172.7° | 180.0° |
| H57 | C36 | C37 | C38 | 173.2° | 180.0° |
| H57 | C36 | C37 | H58 | 53.7° | 60.0° |
| H57 | C36 | C37 | H59 | 67.4° | 60.0° |
| C38 | C37 | H58 | H59 | 121.6° | 120.0° |
| C37 | C38 | C39 | H60 | 119.9° | 120.0° |
| C37 | C38 | C39 | H61 | 119.9° | 120.0° |
| C37 | C38 | H60 | H61 | 120.1° | 120.0° |
| C37 | C38 | C39 | H62 | 62.9° | 60.0° |
| C37 | C38 | C39 | H63 | 178.6° | 180.0° |
| H58 | C37 | C38 | C39 | 178.4° | 180.0° |
| H58 | C37 | C38 | H60 | 61.7° | 60.0° |
| H58 | C37 | C38 | H61 | 58.4° | 60.0° |
| H59 | C37 | C38 | C39 | 57.3° | 60.0° |
| H59 | C37 | C38 | H60 | 177.2° | 180.0° |
| H59 | C37 | C38 | H61 | 62.7° | 60.0° |
| C39 | C38 | H60 | H61 | 120.1° | 120.0° |
| C38 | C39 | H62 | H63 | 117.7° | 120.0° |
| H60 | C38 | C39 | H62 | 177.1° | 179.9° |
| H60 | C38 | C39 | H63 | 58.7° | 59.9° |
| H61 | C38 | C39 | H62 | 57.0° | 60.0° |
| H61 | C38 | C39 | H63 | 61.5° | 60.0° |
| C40 | N8 | H64 | C32 | 180.0° | 179.9° |
| N8 | C40 | C41 | C42 | 121.6° | 120.0° |
| N8 | C40 | C41 | H65 | 119.2° | 120.0° |
| N8 | C40 | C42 | H65 | 122.7° | 120.0° |
| N8 | C40 | C41 | O10 | 19.4° | 24.3° |
| N8 | C40 | C42 | C43 | 73.8° | 67.0° |
| N8 | C40 | C42 | H66 | 46.3° | 53.0° |
| N8 | C40 | C42 | H67 | 166.1° | 173.0° |
| N8 | C40 | C41 | N9 | 161.4° | 155.6° |
| H64 | N8 | C40 | C41 | 98.6° | 25.0° |
| H64 | N8 | C40 | C42 | 20.8° | 95.0° |
| H64 | N8 | C40 | H65 | 143.0° | 145.1° |
| C41 | C40 | C42 | H65 | 118.8° | 120.1° |
| C40 | C41 | O10 | N9 | 179.2° | 180.0° |
| C41 | C40 | C42 | C43 | 167.6° | 173.0° |
| C41 | C40 | C42 | H66 | 72.3° | 67.0° |
| C41 | C40 | C42 | H67 | 47.6° | 53.0° |
| C40 | C41 | N9 | C49 | 173.8° | 175.4° |
| C40 | C41 | N9 | C53 | 8.6° | 4.3° |
| C41 | C40 | N8 | C32 | 81.4° | 155.0° |
| C42 | C40 | C41 | O10 | 102.3° | 95.6° |
| C40 | C42 | C43 | H66 | 120.1° | 119.9° |
| C40 | C42 | C43 | H67 | 120.1° | 120.0° |
| C40 | C42 | H66 | H67 | 119.8° | 120.0° |
| C40 | C42 | C43 | C44 | 157.7° | 175.0° |
| C40 | C42 | C43 | C48 | 83.2° | 65.0° |
| C40 | C42 | C43 | H68 | 38.4° | 55.0° |
| C42 | C40 | N8 | C32 | 159.3° | 85.0° |
| C42 | C40 | C41 | N9 | 77.0° | 84.4° |
| H65 | C40 | C41 | O10 | 138.6° | 144.4° |
| H65 | C40 | C42 | C43 | 48.9° | 53.0° |
| H65 | C40 | C42 | H66 | 168.9° | 173.0° |
| H65 | C40 | C42 | H67 | 71.2° | 67.0° |
| H65 | C40 | N8 | C32 | 37.0° | 34.9° |
| H65 | C40 | C41 | N9 | 42.2° | 35.6° |
| O10 | C41 | N9 | C49 | 5.4° | 4.5° |
| O10 | C41 | N9 | C53 | 172.2° | 175.7° |
| C43 | C42 | H66 | H67 | 119.8° | 120.1° |
| C42 | C43 | C44 | C48 | 115.9° | 120.0° |
| C42 | C43 | C44 | H68 | 119.2° | 120.0° |
| C42 | C43 | C48 | H68 | 121.3° | 120.1° |
| C42 | C43 | C44 | C45 | 179.4° | 180.0° |
| C42 | C43 | C44 | H69 | 60.5° | 60.0° |
| C42 | C43 | C44 | H70 | 59.3° | 60.0° |
| C42 | C43 | C48 | C47 | 170.9° | 180.0° |
| C42 | C43 | C48 | H77 | 51.7° | 59.9° |
| C42 | C43 | C48 | H78 | 69.8° | 60.0° |
| H66 | C42 | C43 | C44 | 37.6° | 55.0° |
| H66 | C42 | C43 | C48 | 156.8° | 175.0° |
| H66 | C42 | C43 | H68 | 81.6° | 64.9° |
| H67 | C42 | C43 | C44 | 82.2° | 65.1° |
| H67 | C42 | C43 | C48 | 36.9° | 54.9° |
| H67 | C42 | C43 | H68 | 158.5° | 175.0° |
| C44 | C43 | C48 | H68 | 124.8° | 119.9° |
| C43 | C44 | C45 | H69 | 120.1° | 120.0° |
| C43 | C44 | C45 | H70 | 120.1° | 119.9° |
| C43 | C44 | H69 | H70 | 119.7° | 119.9° |
| C43 | C44 | C45 | C46 | 60.9° | 60.0° |
| C43 | C44 | C45 | H71 | 58.8° | 60.1° |
| C43 | C44 | C45 | H72 | 179.5° | 180.0° |
| C44 | C43 | C48 | C47 | 57.0° | 60.0° |
| C44 | C43 | C48 | H77 | 62.2° | 60.1° |
| C44 | C43 | C48 | H78 | 176.3° | 180.0° |
| C48 | C43 | C44 | C45 | 63.5° | 60.0° |
| C48 | C43 | C44 | H69 | 176.4° | 180.0° |
| C48 | C43 | C44 | H70 | 56.6° | 60.0° |
| C43 | C48 | C47 | C46 | 56.2° | 59.9° |
| C43 | C48 | C47 | H77 | 119.3° | 120.0° |
| C43 | C48 | C47 | H78 | 119.3° | 120.1° |
| C43 | C48 | C47 | H75 | 64.8° | 60.0° |
| C43 | C48 | C47 | H76 | 177.2° | 180.0° |
| C43 | C48 | H77 | H78 | 122.2° | 120.0° |
| H68 | C43 | C44 | C45 | 61.4° | 60.0° |
| H68 | C43 | C44 | H69 | 58.7° | 60.0° |
| H68 | C43 | C44 | H70 | 178.5° | 180.0° |
| H68 | C43 | C48 | C47 | 67.7° | 60.0° |
| H68 | C43 | C48 | H77 | 173.0° | 180.0° |
| H68 | C43 | C48 | H78 | 51.5° | 60.1° |
| C45 | C44 | H69 | H70 | 119.7° | 120.1° |
| C44 | C45 | C46 | H71 | 119.6° | 120.0° |
| C44 | C45 | C46 | H72 | 119.6° | 119.9° |
| C44 | C45 | H71 | H72 | 121.2° | 119.9° |
| C44 | C45 | C46 | C47 | 57.0° | 60.0° |
| C44 | C45 | C46 | H73 | 176.9° | 180.0° |
| C44 | C45 | C46 | H74 | 63.0° | 60.0° |
| H69 | C44 | C45 | C46 | 179.0° | 180.0° |
| H69 | C44 | C45 | H71 | 61.4° | 59.9° |
| H69 | C44 | C45 | H72 | 59.4° | 60.0° |
| H70 | C44 | C45 | C46 | 59.2° | 59.9° |
| H70 | C44 | C45 | H71 | 178.9° | 180.0° |
| H70 | C44 | C45 | H72 | 60.4° | 60.1° |
| C46 | C45 | H71 | H72 | 121.2° | 120.0° |
| C45 | C46 | C47 | H73 | 120.0° | 120.0° |
| C45 | C46 | C47 | H74 | 120.0° | 120.1° |
| C45 | C46 | H73 | H74 | 120.1° | 120.1° |
| C45 | C46 | C47 | C48 | 59.2° | 59.9° |
| C45 | C46 | C47 | H75 | 61.8° | 60.0° |
| C45 | C46 | C47 | H76 | 179.9° | 180.0° |
| H71 | C45 | C46 | C47 | 62.6° | 60.0° |
| H71 | C45 | C46 | H73 | 57.3° | 60.0° |
| H71 | C45 | C46 | H74 | 177.4° | 180.0° |
| H72 | C45 | C46 | C47 | 176.6° | 180.0° |
| H72 | C45 | C46 | H73 | 63.5° | 60.0° |
| H72 | C45 | C46 | H74 | 56.6° | 60.0° |
| C47 | C46 | H73 | H74 | 120.1° | 119.9° |
| C46 | C47 | C48 | H75 | 121.0° | 119.9° |
| C46 | C47 | C48 | H76 | 121.0° | 120.1° |
| C46 | C47 | H75 | H76 | 117.0° | 120.0° |
| C46 | C47 | C48 | H77 | 63.1° | 60.1° |
| C46 | C47 | C48 | H78 | 175.4° | 180.0° |
| H73 | C46 | C47 | C48 | 179.1° | 180.0° |
| H73 | C46 | C47 | H75 | 58.2° | 60.1° |
| H73 | C46 | C47 | H76 | 59.9° | 59.9° |
| H74 | C46 | C47 | C48 | 60.8° | 60.1° |
| H74 | C46 | C47 | H75 | 178.2° | 180.0° |
| H74 | C46 | C47 | H76 | 60.2° | 60.0° |
| C48 | C47 | H75 | H76 | 116.9° | 120.0° |
| C47 | C48 | H77 | H78 | 122.2° | 120.0° |
| H75 | C47 | C48 | H77 | 176.0° | 180.0° |
| H75 | C47 | C48 | H78 | 54.5° | 60.1° |
| H76 | C47 | C48 | H77 | 57.9° | 60.0° |
| H76 | C47 | C48 | H78 | 63.6° | 59.9° |
| C49 | N9 | C53 | C41 | 177.7° | 179.8° |
| N9 | C49 | C50 | C51 | 114.2° | 117.8° |
| N9 | C49 | C50 | H79 | 124.6° | 121.0° |
| N9 | C49 | C51 | H79 | 118.7° | 119.5° |
| N9 | C49 | C50 | O11 | 24.9° | 0.1° |
| N9 | C49 | C51 | C52 | 22.5° | 22.2° |
| N9 | C49 | C51 | H80 | 96.6° | 140.6° |
| N9 | C49 | C51 | H81 | 141.6° | 96.2° |
| C49 | N9 | C53 | C52 | 20.3° | 24.5° |
| C49 | N9 | C53 | H84 | 139.1° | 94.5° |
| C49 | N9 | C53 | H85 | 98.6° | 143.2° |
| N9 | C49 | C50 | N10 | 151.9° | 180.0° |
| C53 | N9 | C49 | C50 | 119.4° | 120.7° |
| C53 | N9 | C49 | C51 | 1.7° | 1.3° |
| C53 | N9 | C49 | H79 | 116.4° | 118.3° |
| N9 | C53 | C52 | C51 | 33.5° | 37.3° |
| N9 | C53 | C52 | H84 | 118.8° | 118.8° |
| N9 | C53 | C52 | H85 | 118.8° | 118.8° |
| N9 | C53 | C52 | H82 | 152.7° | 80.8° |
| N9 | C53 | C52 | H83 | 85.6° | 155.2° |
| N9 | C53 | H84 | H85 | 123.3° | 122.3° |
| C50 | C49 | C51 | H79 | 121.3° | 121.0° |
| C49 | C50 | O11 | N10 | 176.5° | 179.9° |
| C50 | C49 | C51 | C52 | 142.5° | 97.2° |
| C50 | C49 | C51 | H80 | 23.4° | 21.1° |
| C50 | C49 | C51 | H81 | 98.4° | 144.4° |
| C49 | C50 | N10 | C54 | 178.4° | 180.0° |
| C49 | C50 | N10 | H86 | 1.6° | 0.1° |
| C50 | C49 | N9 | C41 | 62.5° | 59.5° |
| C51 | C49 | C50 | O11 | 89.3° | 117.8° |
| C49 | C51 | C52 | H80 | 119.1° | 118.4° |
| C49 | C51 | C52 | H81 | 119.1° | 118.4° |
| C49 | C51 | H80 | H81 | 122.6° | 123.3° |
| C49 | C51 | C52 | C53 | 35.5° | 35.7° |
| C49 | C51 | C52 | H82 | 154.7° | 82.6° |
| C49 | C51 | C52 | H83 | 83.7° | 153.5° |
| C51 | C49 | N9 | C41 | 179.8° | 179.0° |
| C51 | C49 | C50 | N10 | 93.8° | 62.1° |
| H79 | C49 | C50 | O11 | 149.5° | 121.1° |
| H79 | C49 | C51 | C52 | 96.2° | 141.8° |
| H79 | C49 | C51 | H80 | 144.7° | 99.9° |
| H79 | C49 | C51 | H81 | 22.8° | 23.4° |
| H79 | C49 | N9 | C41 | 61.7° | 61.4° |
| H79 | C49 | C50 | N10 | 27.3° | 59.0° |
| O11 | C50 | N10 | C54 | 4.8° | 0.1° |
| O11 | C50 | N10 | H86 | 175.2° | 180.0° |
| C52 | C51 | H80 | H81 | 122.6° | 123.2° |
| C51 | C52 | C53 | H82 | 119.2° | 118.1° |
| C51 | C52 | C53 | H83 | 119.2° | 117.9° |
| C51 | C52 | H82 | H83 | 122.3° | 123.9° |
| C51 | C52 | C53 | H84 | 152.4° | 81.5° |
| C51 | C52 | C53 | H85 | 85.3° | 156.1° |
| H80 | C51 | C52 | C53 | 83.6° | 154.1° |
| H80 | C51 | C52 | H82 | 35.6° | 35.8° |
| H80 | C51 | C52 | H83 | 157.2° | 88.1° |
| H81 | C51 | C52 | C53 | 154.6° | 82.7° |
| H81 | C51 | C52 | H82 | 86.3° | 159.0° |
| H81 | C51 | C52 | H83 | 35.4° | 35.1° |
| C53 | C52 | H82 | H83 | 122.3° | 123.9° |
| C52 | C53 | H84 | H85 | 123.4° | 122.3° |
| C52 | C53 | N9 | C41 | 157.5° | 155.8° |
| H82 | C52 | C53 | H84 | 88.4° | 160.4° |
| H82 | C52 | C53 | H85 | 33.9° | 38.0° |
| H83 | C52 | C53 | H84 | 33.2° | 36.4° |
| H83 | C52 | C53 | H85 | 155.5° | 86.0° |
| H84 | C53 | N9 | C41 | 38.6° | 85.3° |
| H85 | C53 | N9 | C41 | 83.7° | 37.0° |
| C54 | N10 | H86 | C50 | 180.0° | 180.0° |
| N10 | C54 | C55 | C56 | 121.6° | 120.0° |
| N10 | C54 | C55 | H87 | 118.4° | 119.9° |
| N10 | C54 | C56 | H87 | 119.2° | 120.0° |
| N10 | C54 | C55 | O12 | 12.8° | 24.8° |
| N10 | C54 | C56 | C57 | 74.0° | 65.7° |
| N10 | C54 | C56 | H88 | 45.9° | 54.4° |
| N10 | C54 | C56 | H89 | 166.0° | 174.4° |
| N10 | C54 | C55 | N14 | 170.3° | 155.4° |
| H86 | N10 | C54 | C55 | 109.9° | 25.1° |
| H86 | N10 | C54 | C56 | 12.8° | 95.0° |
| H86 | N10 | C54 | H87 | 131.8° | 145.0° |
| C55 | C54 | C56 | H87 | 120.1° | 120.0° |
| C54 | C55 | O12 | N14 | 176.8° | 179.9° |
| C55 | C54 | C56 | C57 | 165.3° | 174.3° |
| C55 | C54 | C56 | H88 | 74.8° | 65.6° |
| C55 | C54 | C56 | H89 | 45.4° | 54.4° |
| C54 | C55 | N14 | C60 | 179.2° | 175.6° |
| C54 | C55 | N14 | C64 | 8.7° | 4.0° |
| C55 | C54 | N10 | C50 | 70.1° | 155.0° |
| C56 | C54 | C55 | O12 | 108.8° | 95.2° |
| C54 | C56 | C57 | H88 | 119.9° | 120.0° |
| C54 | C56 | C57 | H89 | 120.0° | 120.0° |
| C54 | C56 | H88 | H89 | 120.2° | 120.0° |
| C54 | C56 | C57 | C58 | 167.4° | NaN° |
| C54 | C56 | C57 | H90 | 72.0° | 60.0° |
| C54 | C56 | C57 | H91 | 46.9° | 60.0° |
| C56 | C54 | N10 | C50 | 167.2° | 85.0° |
| C56 | C54 | C55 | N14 | 68.1° | 84.6° |
| H87 | C54 | C55 | O12 | 131.1° | 144.7° |
| H87 | C54 | C56 | C57 | 45.2° | 54.3° |
| H87 | C54 | C56 | H88 | 165.1° | 174.4° |
| H87 | C54 | C56 | H89 | 74.7° | 65.7° |
| H87 | C54 | N10 | C50 | 48.1° | 35.1° |
| H87 | C54 | C55 | N14 | 51.9° | 35.4° |
| O12 | C55 | N14 | C60 | 2.2° | 4.5° |
| O12 | C55 | N14 | C64 | 174.3° | 175.9° |
| C57 | C56 | H88 | H89 | 120.2° | 120.0° |
| C56 | C57 | C58 | H90 | 120.6° | 120.0° |
| C56 | C57 | C58 | H91 | 120.6° | 120.0° |
| C56 | C57 | H90 | H91 | 118.2° | 120.0° |
| C56 | C57 | C58 | N11 | 73.4° | 180.0° |
| C56 | C57 | C58 | H92 | 46.6° | 60.0° |
| C56 | C57 | C58 | H93 | 166.5° | 60.0° |
| H88 | C56 | C57 | C58 | 47.5° | 60.0° |
| H88 | C56 | C57 | H90 | 168.1° | 180.0° |
| H88 | C56 | C57 | H91 | 73.1° | 60.0° |
| H89 | C56 | C57 | C58 | 72.6° | 60.0° |
| H89 | C56 | C57 | H90 | 48.0° | 60.0° |
| H89 | C56 | C57 | H91 | 166.8° | 180.0° |
| C58 | C57 | H90 | H91 | 118.2° | 120.0° |
| C57 | C58 | N11 | H92 | 120.1° | 120.0° |
| C57 | C58 | N11 | H93 | 120.1° | 120.0° |
| C57 | C58 | H92 | H93 | 119.7° | 120.0° |
| C57 | C58 | N11 | C59 | 175.7° | 180.0° |
| C57 | C58 | N11 | H94 | 4.3° | 0.0° |
| H90 | C57 | C58 | N11 | 166.0° | 60.0° |
| H90 | C57 | C58 | H92 | 74.0° | 179.9° |
| H90 | C57 | C58 | H93 | 45.9° | 60.0° |
| H91 | C57 | C58 | N11 | 47.2° | 60.0° |
| H91 | C57 | C58 | H92 | 167.2° | 60.0° |
| H91 | C57 | C58 | H93 | 72.9° | 180.0° |
| N11 | C58 | H92 | H93 | 119.7° | 120.0° |
| C58 | N11 | C59 | H94 | 180.0° | 180.0° |
| C58 | N11 | C59 | N12 | 179.4° | 0.1° |
| C58 | N11 | C59 | N13 | 2.2° | 180.0° |
| H92 | C58 | N11 | C59 | 55.6° | 60.0° |
| H92 | C58 | N11 | H94 | 124.4° | 120.0° |
| H93 | C58 | N11 | C59 | 64.2° | 60.0° |
| H93 | C58 | N11 | H94 | 115.8° | 120.0° |
| N11 | C59 | N12 | N13 | 178.4° | 180.0° |
| N11 | C59 | N12 | H95 | 178.3° | 0.1° |
| N11 | C59 | N12 | H96 | 1.6° | 180.0° |
| N11 | C59 | N13 | H97 | 178.3° | 0.0° |
| N11 | C59 | N13 | H98 | 1.6° | 179.9° |
| H94 | N11 | C59 | N12 | 0.6° | 180.0° |
| H94 | N11 | C59 | N13 | 177.8° | 0.0° |
| C59 | N12 | H95 | H96 | 180.0° | 179.9° |
| N12 | C59 | N13 | H97 | 0.0° | 180.0° |
| N12 | C59 | N13 | H98 | 180.0° | 0.0° |
| N13 | C59 | N12 | H95 | 0.0° | 180.0° |
| N13 | C59 | N12 | H96 | 180.0° | 0.0° |
| C59 | N13 | H97 | H98 | 180.0° | 179.9° |
| C60 | N14 | C64 | C55 | 172.1° | 179.7° |
| N14 | C60 | C61 | C62 | 114.1° | 117.8° |
| N14 | C60 | C61 | H99 | 125.7° | 121.1° |
| N14 | C60 | C62 | H99 | 118.3° | 119.5° |
| N14 | C60 | C61 | O13 | 24.7° | 0.0° |
| N14 | C60 | C62 | C63 | 23.5° | 22.1° |
| N14 | C60 | C62 | H100 | 95.6° | 140.5° |
| N14 | C60 | C62 | H101 | 142.5° | 96.1° |
| C60 | N14 | C64 | C63 | 18.9° | 24.5° |
| C60 | N14 | C64 | H104 | 137.5° | 94.5° |
| C60 | N14 | C64 | H105 | 99.6° | 143.2° |
| N14 | C60 | C61 | N15 | 149.4° | 180.0° |
| C64 | N14 | C60 | C61 | 120.2° | 120.7° |
| C64 | N14 | C60 | C62 | 3.2° | 1.3° |
| C64 | N14 | C60 | H99 | 114.6° | 118.3° |
| N14 | C64 | C63 | C62 | 33.1° | 37.3° |
| N14 | C64 | C63 | H104 | 118.6° | 118.9° |
| N14 | C64 | C63 | H105 | 118.6° | 118.8° |
| N14 | C64 | C63 | H102 | 152.5° | 80.8° |
| N14 | C64 | C63 | H103 | 86.2° | 155.3° |
| N14 | C64 | H104 | H105 | 124.1° | 122.3° |
| C61 | C60 | C62 | H99 | 120.1° | 121.0° |
| C60 | C61 | O13 | N15 | 173.4° | 180.0° |
| C61 | C60 | C62 | C63 | 145.1° | 97.3° |
| C61 | C60 | C62 | H100 | 26.1° | 21.1° |
| C61 | C60 | C62 | H101 | 95.9° | 144.5° |
| C60 | C61 | N15 | C65 | 177.6° | 180.0° |
| C60 | C61 | N15 | H106 | 2.4° | 0.0° |
| C61 | C60 | N14 | C55 | 66.3° | 59.6° |
| C62 | C60 | C61 | O13 | 89.4° | 117.8° |
| C60 | C62 | C63 | H100 | 119.0° | 118.4° |
| C60 | C62 | C63 | H101 | 119.0° | 118.3° |
| C60 | C62 | H100 | H101 | 122.8° | 123.3° |
| C60 | C62 | C63 | C64 | 36.5° | 35.6° |
| C60 | C62 | C63 | H102 | 155.9° | 82.6° |
| C60 | C62 | C63 | H103 | 82.9° | 153.6° |
| C62 | C60 | N14 | C55 | 176.7° | 179.0° |
| C62 | C60 | C61 | N15 | 96.5° | 62.2° |
| H99 | C60 | C61 | O13 | 150.3° | 121.1° |
| H99 | C60 | C62 | C63 | 94.8° | 141.7° |
| H99 | C60 | C62 | H100 | 146.1° | 99.9° |
| H99 | C60 | C62 | H101 | 24.2° | 23.4° |
| H99 | C60 | N14 | C55 | 58.8° | 61.4° |
| H99 | C60 | C61 | N15 | 23.7° | 58.9° |
| O13 | C61 | N15 | C65 | 3.9° | 0.0° |
| O13 | C61 | N15 | H106 | 176.0° | 180.0° |
| C63 | C62 | H100 | H101 | 122.9° | 123.2° |
| C62 | C63 | C64 | H102 | 119.4° | 118.0° |
| C62 | C63 | C64 | H103 | 119.4° | 118.0° |
| C62 | C63 | H102 | H103 | 121.7° | 123.9° |
| C62 | C63 | C64 | H104 | 151.7° | 81.6° |
| C62 | C63 | C64 | H105 | 85.4° | 156.0° |
| H100 | C62 | C63 | C64 | 82.5° | 154.1° |
| H100 | C62 | C63 | H102 | 36.9° | 35.9° |
| H100 | C62 | C63 | H103 | 158.1° | 88.0° |
| H101 | C62 | C63 | C64 | 155.5° | 82.7° |
| H101 | C62 | C63 | H102 | 85.1° | 159.1° |
| H101 | C62 | C63 | H103 | 36.1° | 35.3° |
| C64 | C63 | H102 | H103 | 121.8° | 123.9° |
| C63 | C64 | H104 | H105 | 124.1° | 122.4° |
| C63 | C64 | N14 | C55 | 153.2° | 155.9° |
| H102 | C63 | C64 | H104 | 88.9° | 160.3° |
| H102 | C63 | C64 | H105 | 34.0° | 38.0° |
| H103 | C63 | C64 | H104 | 32.3° | 36.4° |
| H103 | C63 | C64 | H105 | 155.2° | 86.0° |
| H104 | C64 | N14 | C55 | 34.6° | 85.2° |
| H105 | C64 | N14 | C55 | 88.3° | 37.1° |
| C65 | N15 | H106 | C61 | 180.0° | 180.0° |
| N15 | C65 | C66 | C67 | 122.8° | 120.0° |
| N15 | C65 | C66 | H107 | 117.9° | 120.0° |
| N15 | C65 | C67 | H107 | 120.4° | 120.0° |
| N15 | C65 | C66 | O14 | 20.2° | 0.0° |
| N15 | C65 | C67 | O15 | 49.2° | 65.0° |
| N15 | C65 | C67 | C68 | 66.0° | 55.0° |
| N15 | C65 | C67 | H108 | 172.7° | 175.0° |
| N15 | C65 | C66 | N16 | 160.5° | 180.0° |
| H106 | N15 | C65 | C66 | 110.2° | 25.0° |
| H106 | N15 | C65 | C67 | 12.3° | 95.0° |
| H106 | N15 | C65 | H107 | 132.4° | 145.0° |
| C66 | C65 | C67 | H107 | 119.0° | 119.9° |
| C65 | C66 | O14 | N16 | 179.2° | 180.0° |
| C66 | C65 | C67 | O15 | 71.4° | 55.1° |
| C66 | C65 | C67 | C68 | 173.4° | 175.0° |
| C66 | C65 | C67 | H108 | 52.1° | 65.0° |
| C65 | C66 | N16 | C69 | 7.4° | 180.0° |
| C65 | C66 | N16 | H113 | 172.6° | 0.0° |
| C66 | C65 | N15 | C61 | 69.8° | 155.0° |
| C67 | C65 | C66 | O14 | 102.6° | 120.0° |
| C65 | C67 | O15 | C68 | 115.5° | 119.9° |
| C65 | C67 | O15 | H108 | 122.6° | 120.1° |
| C65 | C67 | C68 | H108 | 121.6° | 120.0° |
| C65 | C67 | O15 | H109 | 180.0° | 59.9° |
| C65 | C67 | C68 | H110 | 180.0° | 60.0° |
| C65 | C67 | C68 | H111 | 60.0° | 180.0° |
| C65 | C67 | C68 | H112 | 60.0° | 60.0° |
| C67 | C65 | N15 | C61 | 167.7° | 85.0° |
| C67 | C65 | C66 | N16 | 76.6° | 60.0° |
| H107 | C65 | C66 | O14 | 138.2° | 120.0° |
| H107 | C65 | C67 | O15 | 169.6° | 175.0° |
| H107 | C65 | C67 | C68 | 54.4° | 65.1° |
| H107 | C65 | C67 | H108 | 67.0° | 54.9° |
| H107 | C65 | N15 | C61 | 47.6° | 35.0° |
| H107 | C65 | C66 | N16 | 42.6° | 60.0° |
| O14 | C66 | N16 | C69 | 171.9° | 0.0° |
| O14 | C66 | N16 | H113 | 8.1° | 180.0° |
| O15 | C67 | C68 | H108 | 123.0° | 120.1° |
| O15 | C67 | C68 | H110 | 64.6° | 59.9° |
| O15 | C67 | C68 | H111 | 175.4° | 60.0° |
| O15 | C67 | C68 | H112 | 55.5° | 180.0° |
| C68 | C67 | O15 | H109 | 64.5° | 60.0° |
| C67 | C68 | H110 | H111 | 120.0° | 119.9° |
| C67 | C68 | H110 | H112 | 120.0° | 120.0° |
| C67 | C68 | H111 | H112 | 120.0° | 120.0° |
| H108 | C67 | O15 | H109 | 57.4° | 180.0° |
| H108 | C67 | C68 | H110 | 58.4° | 180.0° |
| H108 | C67 | C68 | H111 | 61.6° | 60.0° |
| H108 | C67 | C68 | H112 | 178.4° | 60.0° |
| H110 | C68 | H111 | H112 | 120.0° | 120.1° |
| C69 | N16 | H113 | C66 | 180.0° | 180.0° |
| N16 | C69 | C70 | C71 | 90.0° | 120.0° |
| N16 | C69 | C70 | H114 | 90.0° | 120.0° |
| N16 | C69 | C71 | H114 | 90.0° | 120.0° |
| N16 | C69 | C70 | O16 | 90.0° | 0.0° |
| N16 | C69 | C70 | O18 | 90.0° | 180.0° |
| N16 | C69 | C71 | O17 | 90.0° | 60.0° |
| N16 | C69 | C71 | C72 | 90.0° | 180.0° |
| N16 | C69 | C71 | H115 | 90.0° | 60.0° |
| H113 | N16 | C69 | C70 | 90.0° | 25.0° |
| H113 | N16 | C69 | C71 | 90.0° | 95.0° |
| H113 | N16 | C69 | H114 | 90.0° | 145.0° |
| C70 | C69 | C71 | H114 | 90.0° | 120.0° |
| C69 | C70 | O16 | O18 | 90.0° | 180.0° |
| C70 | C69 | C71 | O17 | 90.0° | 180.0° |
| C70 | C69 | C71 | C72 | 90.0° | 60.0° |
| C70 | C69 | C71 | H115 | 90.0° | 60.0° |
| C69 | C70 | O18 | H120 | 90.0° | 180.0° |
| C70 | C69 | N16 | C66 | 90.0° | 155.0° |
| C71 | C69 | C70 | O16 | 90.0° | 120.0° |
| C71 | C69 | C70 | O18 | 90.0° | 60.0° |
| C69 | C71 | O17 | C72 | 90.0° | 120.0° |
| C69 | C71 | O17 | H115 | 90.0° | 120.0° |
| C69 | C71 | C72 | H115 | 90.0° | 120.0° |
| C69 | C71 | O17 | H116 | 90.0° | 60.0° |
| C69 | C71 | C72 | H117 | 90.0° | 60.0° |
| C69 | C71 | C72 | H118 | 90.0° | 179.9° |
| C69 | C71 | C72 | H119 | 90.0° | 60.1° |
| C71 | C69 | N16 | C66 | 90.0° | 85.0° |
| H114 | C69 | C70 | O16 | 90.0° | 120.0° |
| H114 | C69 | C70 | O18 | 90.0° | 60.0° |
| H114 | C69 | C71 | O17 | 90.0° | 60.0° |
| H114 | C69 | C71 | C72 | 90.0° | 60.0° |
| H114 | C69 | C71 | H115 | 90.0° | 180.0° |
| H114 | C69 | N16 | C66 | 90.0° | 35.0° |
| O16 | C70 | O18 | H120 | 90.0° | 0.0° |
| O17 | C71 | C72 | H115 | 90.0° | 120.0° |
| O17 | C71 | C72 | H117 | 90.0° | 180.0° |
| O17 | C71 | C72 | H118 | 90.0° | 59.9° |
| O17 | C71 | C72 | H119 | 90.0° | 60.0° |
| C72 | C71 | O17 | H116 | 90.0° | 180.0° |
| C71 | C72 | H117 | H118 | 90.0° | 120.1° |
| C71 | C72 | H117 | H119 | 90.0° | 120.0° |
| C71 | C72 | H118 | H119 | 90.0° | 119.9° |
| H115 | C71 | O17 | H116 | 90.0° | 60.0° |
| H115 | C71 | C72 | H117 | 90.0° | 60.0° |
| H115 | C71 | C72 | H118 | 90.0° | 60.1° |
| H115 | C71 | C72 | H119 | 90.0° | 179.9° |
| H117 | C72 | H118 | H119 | 90.0° | 120.0° |
