PRD_002540
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C11 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C10 | O1 | doub | 1.21Å | 1.21Å | |
| C10 | C8 | sing | 1.51Å | 1.56Å | |
| C6 | C11 | doub | 1.34Å | 1.40Å | Aromatic |
| C6 | N2 | sing | 1.37Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.47Å | 1.35Å | Aromatic |
| C8 | N1 | sing | 1.47Å | 1.44Å | |
| N2 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| N1 | C9 | sing | 1.35Å | 1.45Å | |
| C12 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C12 | C1 | sing | 1.40Å | 1.57Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.56Å | Aromatic |
| C1 | C2 | doub | 1.37Å | 1.49Å | Aromatic |
| C9 | O2 | doub | 1.21Å | 1.19Å | |
| C4 | C3 | doub | 1.38Å | 1.51Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.49Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| N3 | C13 | sing | 1.46Å | 1.44Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.58Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | O3 | doub | 1.21Å | 1.20Å | |
| C15 | O4 | sing | 1.43Å | 1.40Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| O4 | H15 | sing | 0.97Å | 0.95Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| N4 | C17 | sing | 1.47Å | 1.44Å | |
| N4 | H19 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | C22 | sing | 1.51Å | 1.56Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.58Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.57Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | N5 | sing | 1.46Å | 1.52Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| N5 | C21 | sing | 1.37Å | 1.49Å | |
| N5 | H27 | sing | 0.97Å | 1.00Å | |
| C21 | N6 | sing | 1.33Å | 1.25Å | |
| C21 | N7 | doub | 1.33Å | 1.50Å | |
| N6 | H28 | sing | 0.97Å | 1.00Å | |
| N6 | H29 | sing | 0.97Å | 1.00Å | |
| N7 | H30 | sing | 0.97Å | 1.00Å | |
| N7 | H31 | sing | 0.97Å | 1.00Å | |
| C22 | O5 | doub | 1.21Å | 1.19Å | |
| N8 | C23 | sing | 1.47Å | 1.52Å | |
| N8 | H32 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | O6 | doub | 1.21Å | 1.16Å | |
| C25 | O7 | sing | 1.45Å | 1.43Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| N11 | C32 | doub | 1.30Å | 1.34Å | Aromatic |
| N11 | C31 | sing | 1.34Å | 1.32Å | Aromatic |
| C32 | N10 | sing | 1.35Å | 1.35Å | Aromatic |
| C31 | C30 | doub | 1.35Å | 1.37Å | Aromatic |
| N10 | C33 | sing | 1.47Å | 1.45Å | |
| N10 | C30 | sing | 1.37Å | 1.33Å | Aromatic |
| C30 | C29 | sing | 1.51Å | 1.60Å | |
| N9 | C27 | sing | 1.48Å | 1.47Å | |
| C29 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.51Å | 1.54Å | |
| C28 | O8 | doub | 1.21Å | 1.21Å | |
| N9 | H38 | sing | 0.97Å | 1.00Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C31 | H42 | sing | 1.08Å | 1.08Å | |
| C32 | H43 | sing | 1.08Å | 1.08Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C33 | H45 | sing | 1.09Å | 1.10Å | |
| C33 | H46 | sing | 1.09Å | 1.10Å | |
| N12 | C34 | sing | 1.48Å | 1.45Å | |
| N12 | H47 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.51Å | 1.52Å | |
| C34 | C36 | sing | 1.53Å | 1.58Å | |
| C34 | H48 | sing | 1.09Å | 1.10Å | |
| C35 | O9 | doub | 1.21Å | 1.26Å | |
| C35 | O11 | sing | 1.34Å | 1.27Å | |
| C36 | C37 | sing | 1.51Å | 1.62Å | |
| C36 | H49 | sing | 1.09Å | 1.10Å | |
| C36 | H50 | sing | 1.09Å | 1.10Å | |
| C37 | O10 | doub | 1.21Å | 1.19Å | |
| O11 | H51 | sing | 0.97Å | 0.95Å | |
| N13 | C38 | sing | 1.48Å | 1.47Å | |
| N13 | H52 | sing | 0.97Å | 1.00Å | |
| C38 | C39 | sing | 1.51Å | 1.54Å | |
| C38 | C40 | sing | 1.53Å | 1.54Å | |
| C38 | H53 | sing | 1.09Å | 1.10Å | |
| C39 | O12 | doub | 1.21Å | 1.20Å | |
| C40 | O13 | sing | 1.43Å | 1.40Å | |
| C40 | H54 | sing | 1.09Å | 1.10Å | |
| C40 | H55 | sing | 1.09Å | 1.10Å | |
| O13 | H56 | sing | 0.97Å | 0.95Å | |
| N14 | C41 | sing | 1.48Å | 1.48Å | |
| N14 | H57 | sing | 0.97Å | 1.00Å | |
| C41 | C42 | sing | 1.51Å | 1.49Å | |
| C41 | C43 | sing | 1.53Å | 1.55Å | |
| C41 | H58 | sing | 1.09Å | 1.10Å | |
| C42 | O14 | doub | 1.21Å | 1.18Å | |
| C43 | C44 | sing | 1.51Å | 1.59Å | |
| C43 | H59 | sing | 1.09Å | 1.10Å | |
| C43 | H60 | sing | 1.09Å | 1.10Å | |
| C44 | C45 | doub | 1.38Å | 1.55Å | Aromatic |
| C44 | C46 | sing | 1.38Å | 1.52Å | Aromatic |
| C45 | C47 | sing | 1.38Å | 1.53Å | Aromatic |
| C45 | H61 | sing | 1.08Å | 1.08Å | |
| C46 | C48 | doub | 1.38Å | 1.56Å | Aromatic |
| C46 | H62 | sing | 1.08Å | 1.08Å | |
| C47 | C49 | doub | 1.38Å | 1.55Å | Aromatic |
| C47 | H63 | sing | 1.08Å | 1.08Å | |
| C48 | C49 | sing | 1.38Å | 1.52Å | Aromatic |
| C48 | H64 | sing | 1.08Å | 1.08Å | |
| C49 | H65 | sing | 1.08Å | 1.08Å | |
| N15 | C50 | sing | 1.48Å | 1.46Å | |
| N15 | H66 | sing | 0.97Å | 1.00Å | |
| C50 | C51 | sing | 1.51Å | 1.58Å | |
| C50 | H67 | sing | 1.09Å | 1.10Å | |
| C50 | H68 | sing | 1.09Å | 1.10Å | |
| C51 | O15 | doub | 1.21Å | 1.18Å | |
| N16 | C52 | sing | 1.48Å | 1.44Å | |
| N16 | H69 | sing | 0.97Å | 1.00Å | |
| C52 | C53 | sing | 1.53Å | 1.56Å | |
| C52 | C57 | sing | 1.51Å | 1.55Å | |
| C52 | H70 | sing | 1.09Å | 1.10Å | |
| C53 | C54 | sing | 1.53Å | 1.59Å | |
| C53 | H71 | sing | 1.09Å | 1.10Å | |
| C53 | H72 | sing | 1.09Å | 1.10Å | |
| C54 | C55 | sing | 1.53Å | 1.58Å | |
| C54 | H73 | sing | 1.09Å | 1.10Å | |
| C54 | H74 | sing | 1.09Å | 1.10Å | |
| C55 | N17 | sing | 1.46Å | 1.49Å | |
| C55 | H75 | sing | 1.09Å | 1.10Å | |
| C55 | H76 | sing | 1.09Å | 1.10Å | |
| N17 | C56 | sing | 1.37Å | 1.46Å | |
| N17 | H77 | sing | 0.97Å | 1.00Å | |
| C56 | N18 | sing | 1.33Å | 1.25Å | |
| C56 | N19 | doub | 1.33Å | 1.48Å | |
| N18 | H78 | sing | 0.97Å | 1.00Å | |
| N18 | H79 | sing | 0.97Å | 1.00Å | |
| N19 | H80 | sing | 0.97Å | 1.00Å | |
| N19 | H81 | sing | 0.97Å | 1.00Å | |
| C57 | O16 | doub | 1.21Å | 1.17Å | |
| N20 | C58 | sing | 1.48Å | 1.47Å | |
| N20 | H82 | sing | 0.97Å | 1.00Å | |
| C58 | C59 | sing | 1.51Å | 1.55Å | |
| C58 | C60 | sing | 1.53Å | 1.51Å | |
| C58 | H83 | sing | 1.09Å | 1.10Å | |
| C59 | O17 | doub | 1.21Å | 1.17Å | |
| C60 | O18 | sing | 1.43Å | 1.40Å | |
| C60 | H84 | sing | 1.09Å | 1.10Å | |
| C60 | H85 | sing | 1.09Å | 1.10Å | |
| O18 | H86 | sing | 0.97Å | 0.95Å | |
| N21 | C61 | sing | 1.48Å | 1.48Å | |
| N21 | H87 | sing | 0.97Å | 1.00Å | |
| C61 | C62 | sing | 1.51Å | 1.47Å | |
| C61 | C63 | sing | 1.53Å | 1.59Å | |
| C61 | H88 | sing | 1.09Å | 1.10Å | |
| C62 | O19 | doub | 1.21Å | 1.25Å | |
| C62 | O21 | sing | 1.34Å | 1.25Å | |
| C63 | C64 | sing | 1.51Å | 1.56Å | |
| C63 | H89 | sing | 1.09Å | 1.10Å | |
| C63 | H90 | sing | 1.09Å | 1.10Å | |
| C64 | O20 | doub | 1.21Å | 1.16Å | |
| O21 | H91 | sing | 0.97Å | 0.95Å | |
| C10 | N3 | sing | 1.35Å | 1.52Å | |
| C14 | N4 | sing | 1.35Å | 1.50Å | |
| C22 | N8 | sing | 1.35Å | 1.50Å | |
| C24 | N9 | sing | 1.37Å | 1.47Å | |
| O7 | C64 | sing | 1.34Å | 1.45Å | |
| C28 | N12 | sing | 1.36Å | 1.52Å | |
| C37 | N13 | sing | 1.36Å | 1.54Å | |
| C39 | N14 | sing | 1.36Å | 1.53Å | |
| C42 | N15 | sing | 1.36Å | 1.45Å | |
| C51 | N16 | sing | 1.36Å | 1.48Å | |
| C57 | N20 | sing | 1.36Å | 1.50Å | |
| C59 | N21 | sing | 1.37Å | 1.48Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C7 | C8 | 109.5° | 109.5° |
| C7 | C11 | C6 | 126.1° | 126.5° |
| C7 | C11 | C12 | 125.8° | 126.5° |
| C11 | C7 | H6 | 109.4° | 109.5° |
| C11 | C7 | H7 | 109.5° | 109.5° |
| C7 | C8 | C10 | 108.9° | 109.5° |
| C7 | C8 | N1 | 110.3° | 109.5° |
| C8 | C7 | H6 | 109.5° | 109.4° |
| C8 | C7 | H7 | 109.4° | 109.5° |
| C7 | C8 | H8 | 109.3° | 109.4° |
| O1 | C10 | C8 | 120.0° | 120.0° |
| O1 | C10 | N3 | 120.9° | 120.0° |
| C10 | C8 | N1 | 109.0° | 109.5° |
| C10 | C8 | H8 | 108.9° | 109.5° |
| C8 | C10 | N3 | 119.1° | 120.0° |
| C11 | C6 | N2 | 108.0° | 110.0° |
| C6 | C11 | C12 | 108.1° | 107.0° |
| C11 | C6 | H5 | 126.0° | 125.1° |
| C6 | N2 | C5 | 107.7° | 109.9° |
| N2 | C6 | H5 | 126.0° | 125.0° |
| C6 | N2 | H11 | 126.1° | 125.1° |
| C11 | C12 | C5 | 107.8° | 106.0° |
| C11 | C12 | C1 | 132.0° | 134.0° |
| C8 | N1 | C9 | 119.6° | 120.0° |
| N1 | C8 | H8 | 110.5° | 109.4° |
| C8 | N1 | H10 | 120.2° | 120.0° |
| N2 | C5 | C12 | 108.4° | 107.2° |
| N2 | C5 | C4 | 131.3° | 133.5° |
| C5 | N2 | H11 | 126.2° | 125.1° |
| N1 | C9 | O2 | 119.9° | 120.0° |
| N1 | C9 | H9 | 120.1° | 120.0° |
| C9 | N1 | H10 | 120.2° | 120.0° |
| C5 | C12 | C1 | 120.3° | 120.0° |
| C12 | C5 | C4 | 120.3° | 119.3° |
| C12 | C1 | C2 | 120.2° | 119.7° |
| C12 | C1 | H1 | 119.9° | 120.2° |
| C5 | C4 | C3 | 119.9° | 119.8° |
| C5 | C4 | H4 | 120.1° | 120.1° |
| C1 | C2 | C3 | 119.6° | 120.6° |
| C2 | C1 | H1 | 119.9° | 120.1° |
| C1 | C2 | H2 | 120.2° | 119.7° |
| O2 | C9 | H9 | 120.0° | 119.9° |
| C4 | C3 | C2 | 119.8° | 120.6° |
| C4 | C3 | H3 | 120.1° | 119.6° |
| C3 | C4 | H4 | 120.1° | 120.1° |
| C3 | C2 | H2 | 120.2° | 119.7° |
| C2 | C3 | H3 | 120.1° | 119.7° |
| H6 | C7 | H7 | 109.5° | 109.4° |
| C13 | N3 | H12 | 119.3° | 120.0° |
| N3 | C13 | C14 | 108.8° | 109.5° |
| N3 | C13 | C15 | 108.8° | 109.4° |
| N3 | C13 | H13 | 110.1° | 109.5° |
| C13 | N3 | C10 | 121.3° | 120.0° |
| H12 | N3 | C10 | 119.4° | 120.0° |
| C14 | C13 | C15 | 112.1° | 109.5° |
| C14 | C13 | H13 | 108.3° | 109.5° |
| C13 | C14 | O3 | 120.5° | 120.0° |
| C13 | C14 | N4 | 119.0° | 120.0° |
| C15 | C13 | H13 | 108.7° | 109.4° |
| C13 | C15 | O4 | 110.7° | 109.5° |
| C13 | C15 | C16 | 109.1° | 109.5° |
| C13 | C15 | H14 | 108.7° | 109.5° |
| O3 | C14 | N4 | 120.6° | 120.0° |
| O4 | C15 | C16 | 108.9° | 109.4° |
| O4 | C15 | H14 | 110.6° | 109.5° |
| C15 | O4 | H15 | 109.5° | 114.0° |
| C16 | C15 | H14 | 108.8° | 109.4° |
| C15 | C16 | H16 | 109.5° | 109.4° |
| C15 | C16 | H17 | 109.5° | 109.5° |
| C15 | C16 | H18 | 109.5° | 109.4° |
| H16 | C16 | H17 | 109.4° | 109.5° |
| H16 | C16 | H18 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| C17 | N4 | H19 | 118.6° | 119.9° |
| N4 | C17 | C18 | 107.1° | 109.5° |
| N4 | C17 | C22 | 111.9° | 109.5° |
| N4 | C17 | H20 | 110.9° | 109.4° |
| C17 | N4 | C14 | 122.8° | 120.0° |
| H19 | N4 | C14 | 118.6° | 120.0° |
| C18 | C17 | C22 | 108.2° | 109.5° |
| C18 | C17 | H20 | 109.5° | 109.5° |
| C17 | C18 | C19 | 111.4° | 109.5° |
| C17 | C18 | H21 | 109.0° | 109.5° |
| C17 | C18 | H22 | 109.0° | 109.5° |
| C22 | C17 | H20 | 109.2° | 109.4° |
| C17 | C22 | O5 | 119.8° | 120.0° |
| C17 | C22 | N8 | 119.8° | 120.0° |
| C19 | C18 | H21 | 109.0° | 109.5° |
| C19 | C18 | H22 | 109.0° | 109.5° |
| C18 | C19 | C20 | 109.9° | 109.4° |
| C18 | C19 | H23 | 109.4° | 109.4° |
| C18 | C19 | H24 | 109.4° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| C20 | C19 | H23 | 109.4° | 109.5° |
| C20 | C19 | H24 | 109.4° | 109.5° |
| C19 | C20 | N5 | 111.1° | 109.4° |
| C19 | C20 | H25 | 109.1° | 109.5° |
| C19 | C20 | H26 | 109.1° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| N5 | C20 | H25 | 109.1° | 109.4° |
| N5 | C20 | H26 | 109.1° | 109.5° |
| C20 | N5 | C21 | 120.6° | 120.0° |
| C20 | N5 | H27 | 119.7° | 120.0° |
| H25 | C20 | H26 | 109.5° | 109.5° |
| C21 | N5 | H27 | 119.7° | 120.0° |
| N5 | C21 | N6 | 120.2° | 120.0° |
| N5 | C21 | N7 | 120.7° | 120.1° |
| N6 | C21 | N7 | 119.1° | 120.0° |
| C21 | N6 | H28 | 120.0° | 120.0° |
| C21 | N6 | H29 | 120.0° | 120.0° |
| C21 | N7 | H30 | 120.0° | 120.0° |
| C21 | N7 | H31 | 120.0° | 120.1° |
| H28 | N6 | H29 | 120.0° | 120.0° |
| H30 | N7 | H31 | 120.0° | 119.9° |
| O5 | C22 | N8 | 120.4° | 120.0° |
| C23 | N8 | H32 | 119.7° | 120.0° |
| N8 | C23 | C24 | 109.3° | 109.5° |
| N8 | C23 | C25 | 111.0° | 109.5° |
| N8 | C23 | H33 | 109.7° | 109.5° |
| C23 | N8 | C22 | 120.5° | 120.0° |
| H32 | N8 | C22 | 119.7° | 120.0° |
| C24 | C23 | C25 | 107.3° | 109.5° |
| C24 | C23 | H33 | 109.8° | 109.5° |
| C23 | C24 | O6 | 120.2° | 120.7° |
| C23 | C24 | N9 | 119.3° | 118.7° |
| C25 | C23 | H33 | 109.6° | 109.5° |
| C23 | C25 | O7 | 109.0° | 109.3° |
| C23 | C25 | C26 | 111.1° | 109.5° |
| C23 | C25 | H34 | 108.6° | 109.5° |
| O6 | C24 | N9 | 120.5° | 120.6° |
| O7 | C25 | C26 | 109.8° | 109.5° |
| O7 | C25 | H34 | 109.8° | 109.5° |
| C25 | O7 | C64 | 115.2° | 117.1° |
| C26 | C25 | H34 | 108.6° | 109.6° |
| C25 | C26 | H35 | 109.5° | 109.5° |
| C25 | C26 | H36 | 109.5° | 109.4° |
| C25 | C26 | H37 | 109.5° | 109.4° |
| H35 | C26 | H36 | 109.5° | 109.5° |
| H35 | C26 | H37 | 109.5° | 109.5° |
| H36 | C26 | H37 | 109.5° | 109.5° |
| C32 | N11 | C31 | 108.0° | 109.3° |
| N11 | C32 | N10 | 108.2° | 108.7° |
| N11 | C32 | H43 | 125.9° | 125.7° |
| N11 | C31 | C30 | 108.4° | 108.0° |
| N11 | C31 | H42 | 125.8° | 126.0° |
| C32 | N10 | C33 | 124.2° | 126.4° |
| C32 | N10 | C30 | 108.1° | 107.2° |
| N10 | C32 | H43 | 125.9° | 125.6° |
| C31 | C30 | N10 | 107.4° | 106.8° |
| C31 | C30 | C29 | 125.5° | 126.6° |
| C30 | C31 | H42 | 125.8° | 126.0° |
| C33 | N10 | C30 | 127.7° | 126.4° |
| N10 | C33 | H44 | 109.5° | 109.4° |
| N10 | C33 | H45 | 109.5° | 109.5° |
| N10 | C33 | H46 | 109.5° | 109.5° |
| N10 | C30 | C29 | 127.1° | 126.6° |
| C30 | C29 | C27 | 110.5° | 109.5° |
| C30 | C29 | H40 | 109.2° | 109.4° |
| C30 | C29 | H41 | 109.2° | 109.4° |
| N9 | C27 | C29 | 108.4° | 109.6° |
| N9 | C27 | C28 | 107.8° | 108.7° |
| C27 | N9 | H38 | 119.7° | 122.2° |
| N9 | C27 | H39 | 109.6° | 109.6° |
| C27 | N9 | C24 | 120.7° | 115.7° |
| C29 | C27 | C28 | 113.3° | 109.6° |
| C29 | C27 | H39 | 109.0° | 109.7° |
| C27 | C29 | H40 | 109.2° | 109.5° |
| C27 | C29 | H41 | 109.2° | 109.5° |
| C27 | C28 | O8 | 119.0° | 120.5° |
| C28 | C27 | H39 | 108.7° | 109.6° |
| C27 | C28 | N12 | 121.8° | 119.1° |
| O8 | C28 | N12 | 119.2° | 120.5° |
| H38 | N9 | C24 | 119.7° | 122.1° |
| H40 | C29 | H41 | 109.5° | 109.5° |
| H44 | C33 | H45 | 109.5° | 109.5° |
| H44 | C33 | H46 | 109.5° | 109.4° |
| H45 | C33 | H46 | 109.4° | 109.5° |
| C34 | N12 | H47 | 120.3° | 121.7° |
| N12 | C34 | C35 | 107.9° | 109.6° |
| N12 | C34 | C36 | 113.6° | 108.9° |
| N12 | C34 | H48 | 110.7° | 109.6° |
| C34 | N12 | C28 | 119.5° | 116.7° |
| H47 | N12 | C28 | 120.2° | 121.6° |
| C35 | C34 | C36 | 106.1° | 109.6° |
| C35 | C34 | H48 | 109.6° | 109.6° |
| C34 | C35 | O9 | 119.7° | 120.0° |
| C34 | C35 | O11 | 120.8° | 120.0° |
| C36 | C34 | H48 | 108.8° | 109.7° |
| C34 | C36 | C37 | 113.9° | 109.5° |
| C34 | C36 | H49 | 108.3° | 109.5° |
| C34 | C36 | H50 | 108.3° | 109.5° |
| O9 | C35 | O11 | 119.4° | 120.0° |
| C35 | O11 | H51 | 109.5° | 117.0° |
| C37 | C36 | H49 | 108.4° | 109.5° |
| C37 | C36 | H50 | 108.4° | 109.5° |
| C36 | C37 | O10 | 121.1° | 120.4° |
| C36 | C37 | N13 | 116.7° | 119.2° |
| H49 | C36 | H50 | 109.5° | 109.5° |
| O10 | C37 | N13 | 122.2° | 120.4° |
| C38 | N13 | H52 | 118.0° | 121.6° |
| N13 | C38 | C39 | 114.6° | 108.9° |
| N13 | C38 | C40 | 106.1° | 109.6° |
| N13 | C38 | H53 | 109.0° | 109.6° |
| C38 | N13 | C37 | 124.0° | 116.7° |
| H52 | N13 | C37 | 118.0° | 121.6° |
| C39 | C38 | C40 | 110.6° | 109.5° |
| C39 | C38 | H53 | 108.1° | 109.5° |
| C38 | C39 | O12 | 121.1° | 120.5° |
| C38 | C39 | N14 | 118.8° | 119.0° |
| C40 | C38 | H53 | 108.2° | 109.7° |
| C38 | C40 | O13 | 111.0° | 109.5° |
| C38 | C40 | H54 | 109.1° | 109.5° |
| C38 | C40 | H55 | 109.1° | 109.4° |
| O12 | C39 | N14 | 120.1° | 120.5° |
| O13 | C40 | H54 | 109.1° | 109.4° |
| O13 | C40 | H55 | 109.1° | 109.5° |
| C40 | O13 | H56 | 109.5° | 114.0° |
| H54 | C40 | H55 | 109.5° | 109.5° |
| C41 | N14 | H57 | 118.6° | 122.1° |
| N14 | C41 | C42 | 111.5° | 108.8° |
| N14 | C41 | C43 | 107.6° | 109.6° |
| N14 | C41 | H58 | 109.8° | 109.6° |
| C41 | N14 | C39 | 122.8° | 115.8° |
| H57 | N14 | C39 | 118.6° | 122.1° |
| C42 | C41 | C43 | 109.6° | 109.6° |
| C42 | C41 | H58 | 109.5° | 109.6° |
| C41 | C42 | O14 | 120.0° | 120.5° |
| C41 | C42 | N15 | 118.3° | 119.1° |
| C43 | C41 | H58 | 108.8° | 109.7° |
| C41 | C43 | C44 | 114.5° | 109.5° |
| C41 | C43 | H59 | 108.2° | 109.5° |
| C41 | C43 | H60 | 108.2° | 109.5° |
| O14 | C42 | N15 | 121.7° | 120.4° |
| C44 | C43 | H59 | 108.2° | 109.5° |
| C44 | C43 | H60 | 108.2° | 109.5° |
| C43 | C44 | C45 | 121.2° | 120.0° |
| C43 | C44 | C46 | 119.1° | 120.0° |
| H59 | C43 | H60 | 109.5° | 109.5° |
| C45 | C44 | C46 | 119.7° | 120.0° |
| C44 | C45 | C47 | 120.4° | 120.0° |
| C44 | C45 | H61 | 119.8° | 120.0° |
| C44 | C46 | C48 | 120.0° | 120.0° |
| C44 | C46 | H62 | 120.0° | 120.0° |
| C47 | C45 | H61 | 119.8° | 120.0° |
| C45 | C47 | C49 | 119.7° | 120.0° |
| C45 | C47 | H63 | 120.2° | 120.0° |
| C48 | C46 | H62 | 120.0° | 120.0° |
| C46 | C48 | C49 | 120.1° | 120.0° |
| C46 | C48 | H64 | 120.0° | 120.0° |
| C49 | C47 | H63 | 120.1° | 120.0° |
| C47 | C49 | C48 | 120.1° | 120.0° |
| C47 | C49 | H65 | 120.0° | 120.0° |
| C49 | C48 | H64 | 119.9° | 120.0° |
| C48 | C49 | H65 | 119.9° | 120.0° |
| C50 | N15 | H66 | 119.3° | 121.6° |
| N15 | C50 | C51 | 112.4° | 108.8° |
| N15 | C50 | H67 | 108.8° | 109.6° |
| N15 | C50 | H68 | 108.7° | 109.6° |
| C50 | N15 | C42 | 121.5° | 116.8° |
| H66 | N15 | C42 | 119.2° | 121.6° |
| C51 | C50 | H67 | 108.7° | 109.6° |
| C51 | C50 | H68 | 108.7° | 109.6° |
| C50 | C51 | O15 | 119.4° | 120.5° |
| C50 | C51 | N16 | 121.3° | 118.9° |
| H67 | C50 | H68 | 109.5° | 109.7° |
| O15 | C51 | N16 | 119.3° | 120.6° |
| C52 | N16 | H69 | 120.2° | 122.1° |
| N16 | C52 | C53 | 110.5° | 109.6° |
| N16 | C52 | C57 | 107.9° | 108.6° |
| N16 | C52 | H70 | 110.1° | 109.6° |
| C52 | N16 | C51 | 119.5° | 115.8° |
| H69 | N16 | C51 | 120.3° | 122.1° |
| C53 | C52 | C57 | 111.2° | 109.6° |
| C53 | C52 | H70 | 108.5° | 109.7° |
| C52 | C53 | C54 | 109.8° | 109.5° |
| C52 | C53 | H71 | 109.4° | 109.4° |
| C52 | C53 | H72 | 109.4° | 109.5° |
| C57 | C52 | H70 | 108.7° | 109.8° |
| C52 | C57 | O16 | 119.5° | 120.3° |
| C52 | C57 | N20 | 120.5° | 119.4° |
| C54 | C53 | H71 | 109.4° | 109.4° |
| C54 | C53 | H72 | 109.4° | 109.5° |
| C53 | C54 | C55 | 110.9° | 109.5° |
| C53 | C54 | H73 | 109.1° | 109.4° |
| C53 | C54 | H74 | 109.1° | 109.5° |
| H71 | C53 | H72 | 109.5° | 109.5° |
| C55 | C54 | H73 | 109.1° | 109.4° |
| C55 | C54 | H74 | 109.1° | 109.5° |
| C54 | C55 | N17 | 111.7° | 109.5° |
| C54 | C55 | H75 | 108.9° | 109.5° |
| C54 | C55 | H76 | 108.9° | 109.5° |
| H73 | C54 | H74 | 109.5° | 109.5° |
| N17 | C55 | H75 | 108.9° | 109.5° |
| N17 | C55 | H76 | 108.9° | 109.5° |
| C55 | N17 | C56 | 121.6° | 120.0° |
| C55 | N17 | H77 | 119.2° | 120.0° |
| H75 | C55 | H76 | 109.5° | 109.4° |
| C56 | N17 | H77 | 119.2° | 120.0° |
| N17 | C56 | N18 | 119.6° | 120.0° |
| N17 | C56 | N19 | 120.7° | 120.0° |
| N18 | C56 | N19 | 119.6° | 120.0° |
| C56 | N18 | H78 | 120.0° | 120.0° |
| C56 | N18 | H79 | 120.0° | 120.0° |
| C56 | N19 | H80 | 120.0° | 120.0° |
| C56 | N19 | H81 | 120.0° | 120.0° |
| H78 | N18 | H79 | 120.0° | 120.0° |
| H80 | N19 | H81 | 120.0° | 120.0° |
| O16 | C57 | N20 | 119.9° | 120.3° |
| C58 | N20 | H82 | 119.6° | 121.7° |
| N20 | C58 | C59 | 108.3° | 109.1° |
| N20 | C58 | C60 | 110.8° | 109.5° |
| N20 | C58 | H83 | 109.6° | 109.5° |
| C58 | N20 | C57 | 120.8° | 116.6° |
| H82 | N20 | C57 | 119.6° | 121.7° |
| C59 | C58 | C60 | 110.6° | 109.5° |
| C59 | C58 | H83 | 108.5° | 109.6° |
| C58 | C59 | O17 | 120.2° | 120.7° |
| C58 | C59 | N21 | 120.4° | 118.7° |
| C60 | C58 | H83 | 109.1° | 109.6° |
| C58 | C60 | O18 | 108.6° | 109.5° |
| C58 | C60 | H84 | 109.7° | 109.4° |
| C58 | C60 | H85 | 109.7° | 109.5° |
| O17 | C59 | N21 | 119.4° | 120.6° |
| O18 | C60 | H84 | 109.7° | 109.5° |
| O18 | C60 | H85 | 109.7° | 109.5° |
| C60 | O18 | H86 | 109.5° | 114.0° |
| H84 | C60 | H85 | 109.5° | 109.5° |
| C61 | N21 | H87 | 119.7° | 122.1° |
| N21 | C61 | C62 | 109.9° | 109.6° |
| N21 | C61 | C63 | 106.7° | 108.8° |
| N21 | C61 | H88 | 109.0° | 109.6° |
| C61 | N21 | C59 | 120.5° | 115.8° |
| H87 | N21 | C59 | 119.7° | 122.1° |
| C62 | C61 | C63 | 114.0° | 109.6° |
| C62 | C61 | H88 | 109.3° | 109.6° |
| C61 | C62 | O19 | 120.0° | 120.0° |
| C61 | C62 | O21 | 120.2° | 120.0° |
| C63 | C61 | H88 | 107.8° | 109.7° |
| C61 | C63 | C64 | 114.1° | 109.5° |
| C61 | C63 | H89 | 108.3° | 109.5° |
| C61 | C63 | H90 | 108.3° | 109.5° |
| O19 | C62 | O21 | 119.7° | 120.1° |
| C62 | O21 | H91 | 109.5° | 116.9° |
| C64 | C63 | H89 | 108.3° | 109.5° |
| C64 | C63 | H90 | 108.3° | 109.4° |
| C63 | C64 | O20 | 118.6° | 120.1° |
| C63 | C64 | O7 | 121.5° | 119.8° |
| H89 | C63 | H90 | 109.5° | 109.4° |
| O20 | C64 | O7 | 119.8° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C7 | C8 | H6 | 120.0° | 120.0° |
| C11 | C7 | C8 | H7 | 120.0° | 120.0° |
| C11 | C7 | C8 | C10 | 177.7° | 175.0° |
| C7 | C11 | C6 | C12 | 180.0° | 180.0° |
| C7 | C11 | C6 | N2 | 180.0° | 180.0° |
| C11 | C7 | C8 | N1 | 62.7° | 64.9° |
| C7 | C11 | C12 | C5 | 179.9° | 179.9° |
| C7 | C11 | C12 | C1 | 0.2° | 0.7° |
| C7 | C11 | C6 | H5 | 0.0° | 0.1° |
| C11 | C7 | H6 | H7 | 120.0° | 120.0° |
| C11 | C7 | C8 | H8 | 58.9° | 55.0° |
| C7 | C8 | C10 | O1 | 60.4° | 100.0° |
| C7 | C8 | C10 | N1 | 120.4° | 120.1° |
| C7 | C8 | C10 | H8 | 119.1° | 120.0° |
| C8 | C7 | C11 | C6 | 115.3° | 95.0° |
| C8 | C7 | C11 | C12 | 64.7° | 85.0° |
| C7 | C8 | N1 | H8 | 120.9° | 119.9° |
| C7 | C8 | N1 | C9 | 152.7° | 60.1° |
| C8 | C7 | H6 | H7 | 120.0° | 120.0° |
| C7 | C8 | N1 | H10 | 27.3° | 119.9° |
| C7 | C8 | C10 | N3 | 119.4° | 80.0° |
| O1 | C10 | C8 | N3 | 179.7° | 180.0° |
| O1 | C10 | C8 | N1 | 179.2° | 20.1° |
| O1 | C10 | C8 | H8 | 58.7° | 140.0° |
| O1 | C10 | N3 | C13 | 0.6° | 0.0° |
| O1 | C10 | N3 | H12 | 179.4° | 180.0° |
| C10 | C8 | N1 | H8 | 119.5° | 120.0° |
| C10 | C8 | N1 | C9 | 87.8° | 60.0° |
| C10 | C8 | C7 | H6 | 57.7° | 65.0° |
| C10 | C8 | C7 | H7 | 62.3° | 54.9° |
| C10 | C8 | N1 | H10 | 92.2° | 120.0° |
| C8 | C10 | N3 | C13 | 179.7° | 180.0° |
| C8 | C10 | N3 | H12 | 0.3° | 0.0° |
| C11 | C6 | N2 | H5 | 180.0° | 179.9° |
| C11 | C6 | N2 | C5 | 0.1° | 0.2° |
| C6 | C11 | C12 | C5 | 0.1° | 0.1° |
| C6 | C11 | C12 | C1 | 179.8° | 179.3° |
| C6 | C11 | C7 | H6 | 124.7° | 145.0° |
| C6 | C11 | C7 | H7 | 4.7° | 25.0° |
| C11 | C6 | N2 | H11 | 180.0° | 180.0° |
| N2 | C6 | C11 | C12 | 0.0° | 0.1° |
| C6 | N2 | C5 | H11 | 180.0° | 179.8° |
| C6 | N2 | C5 | C12 | 0.1° | 0.3° |
| C6 | N2 | C5 | C4 | 180.0° | 180.0° |
| C11 | C12 | C5 | N2 | 0.2° | 0.2° |
| C11 | C12 | C5 | C1 | 179.7° | 179.4° |
| C11 | C12 | C5 | C4 | 180.0° | 180.0° |
| C11 | C12 | C1 | C2 | 179.9° | 179.8° |
| C11 | C12 | C1 | H1 | 0.1° | 0.5° |
| C12 | C11 | C6 | H5 | 180.0° | 179.9° |
| C12 | C11 | C7 | H6 | 55.3° | 35.0° |
| C12 | C11 | C7 | H7 | 175.3° | 155.0° |
| C8 | N1 | C9 | H10 | 180.0° | 180.0° |
| C8 | N1 | C9 | O2 | 0.4° | 0.0° |
| N1 | C8 | C7 | H6 | 177.3° | 55.1° |
| N1 | C8 | C7 | H7 | 57.3° | 175.0° |
| C8 | N1 | C9 | H9 | 179.6° | 179.9° |
| N1 | C8 | C10 | N3 | 1.0° | 160.0° |
| N2 | C5 | C12 | C4 | 179.9° | 179.8° |
| N2 | C5 | C12 | C1 | 179.9° | 179.6° |
| N2 | C5 | C4 | C3 | 179.8° | 180.0° |
| N2 | C5 | C4 | H4 | 0.2° | 0.1° |
| C5 | N2 | C6 | H5 | 179.9° | 179.9° |
| N1 | C9 | O2 | H9 | 180.0° | 180.0° |
| C9 | N1 | C8 | H8 | 31.8° | 180.0° |
| C5 | C12 | C1 | C2 | 0.2° | 0.6° |
| C12 | C5 | C4 | C3 | 0.0° | 0.3° |
| C5 | C12 | C1 | H1 | 179.7° | 179.7° |
| C12 | C5 | C4 | H4 | 180.0° | 179.7° |
| C12 | C5 | N2 | H11 | 179.9° | 179.9° |
| C1 | C12 | C5 | C4 | 0.2° | 0.7° |
| C12 | C1 | C2 | H1 | 180.0° | 179.7° |
| C12 | C1 | C2 | C3 | 0.0° | 0.3° |
| C12 | C1 | C2 | H2 | 180.0° | 179.7° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C5 | C4 | C3 | H3 | 179.8° | 180.0° |
| C4 | C5 | N2 | H11 | 0.1° | 0.2° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 179.8° | 180.0° |
| O2 | C9 | N1 | H10 | 179.6° | 180.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | H4 | 179.8° | 179.9° |
| H1 | C1 | C2 | H2 | 0.0° | 0.0° |
| H2 | C2 | C3 | H3 | 0.2° | 0.0° |
| H3 | C3 | C4 | H4 | 0.2° | 0.1° |
| H5 | C6 | N2 | H11 | 0.1° | 0.1° |
| H6 | C7 | C8 | H8 | 61.1° | 175.0° |
| H7 | C7 | C8 | H8 | 178.9° | 65.1° |
| H8 | C8 | N1 | H10 | 148.2° | 0.0° |
| H8 | C8 | C10 | N3 | 121.6° | 40.0° |
| H9 | C9 | N1 | H10 | 0.4° | 0.0° |
| C13 | N3 | H12 | C10 | 180.0° | 179.9° |
| N3 | C13 | C14 | C15 | 120.4° | 120.0° |
| N3 | C13 | C14 | H13 | 119.6° | 120.1° |
| N3 | C13 | C15 | H13 | 119.9° | 120.0° |
| N3 | C13 | C14 | O3 | 157.2° | 6.4° |
| N3 | C13 | C15 | O4 | 65.0° | 63.9° |
| N3 | C13 | C15 | C16 | 54.8° | 56.1° |
| N3 | C13 | C15 | H14 | 173.3° | 176.1° |
| N3 | C13 | C14 | N4 | 22.3° | 173.7° |
| H12 | N3 | C13 | C14 | 67.0° | 25.0° |
| H12 | N3 | C13 | C15 | 55.4° | 95.0° |
| H12 | N3 | C13 | H13 | 174.4° | 145.0° |
| C14 | C13 | C15 | H13 | 119.7° | 120.0° |
| C13 | C14 | O3 | N4 | 179.5° | 180.0° |
| C14 | C13 | C15 | O4 | 55.4° | 56.1° |
| C14 | C13 | C15 | C16 | 175.2° | 176.1° |
| C14 | C13 | C15 | H14 | 66.3° | 63.9° |
| C13 | C14 | N4 | C17 | 179.5° | 175.0° |
| C13 | C14 | N4 | H19 | 0.5° | 5.0° |
| C14 | C13 | N3 | C10 | 112.9° | 155.0° |
| C15 | C13 | C14 | O3 | 82.5° | 113.6° |
| C13 | C15 | O4 | C16 | 119.9° | 120.0° |
| C13 | C15 | O4 | H14 | 120.6° | 120.0° |
| C13 | C15 | C16 | H14 | 118.4° | 120.0° |
| C13 | C15 | O4 | H15 | 180.0° | 60.0° |
| C13 | C15 | C16 | H16 | 180.0° | 56.0° |
| C13 | C15 | C16 | H17 | 60.0° | 176.1° |
| C13 | C15 | C16 | H18 | 60.0° | 64.0° |
| C15 | C13 | N3 | C10 | 124.6° | 85.0° |
| C15 | C13 | C14 | N4 | 98.0° | 66.4° |
| H13 | C13 | C14 | O3 | 37.5° | 126.4° |
| H13 | C13 | C15 | O4 | 175.1° | 176.1° |
| H13 | C13 | C15 | C16 | 65.1° | 63.9° |
| H13 | C13 | C15 | H14 | 53.4° | 56.1° |
| H13 | C13 | N3 | C10 | 5.6° | 34.9° |
| H13 | C13 | C14 | N4 | 142.0° | 53.6° |
| O3 | C14 | N4 | C17 | 0.0° | 5.0° |
| O3 | C14 | N4 | H19 | 180.0° | 175.0° |
| O4 | C15 | C16 | H14 | 120.7° | 119.9° |
| O4 | C15 | C16 | H16 | 59.1° | 64.0° |
| O4 | C15 | C16 | H17 | 179.1° | 56.0° |
| O4 | C15 | C16 | H18 | 60.9° | 176.0° |
| C16 | C15 | O4 | H15 | 60.1° | 180.0° |
| C15 | C16 | H16 | H17 | 120.0° | 120.1° |
| C15 | C16 | H16 | H18 | 120.0° | 119.9° |
| C15 | C16 | H17 | H18 | 120.0° | 120.0° |
| H14 | C15 | O4 | H15 | 59.4° | 60.1° |
| H14 | C15 | C16 | H16 | 61.5° | 176.0° |
| H14 | C15 | C16 | H17 | 58.4° | 63.9° |
| H14 | C15 | C16 | H18 | 178.4° | 56.1° |
| H16 | C16 | H17 | H18 | 120.0° | 120.0° |
| C17 | N4 | H19 | C14 | 180.0° | 180.0° |
| N4 | C17 | C18 | C22 | 120.8° | 120.0° |
| N4 | C17 | C18 | H20 | 120.3° | 120.0° |
| N4 | C17 | C22 | H20 | 123.2° | 119.9° |
| N4 | C17 | C18 | C19 | 134.3° | 65.0° |
| N4 | C17 | C18 | H21 | 105.4° | 175.0° |
| N4 | C17 | C18 | H22 | 14.0° | 55.0° |
| N4 | C17 | C22 | O5 | 132.1° | 6.9° |
| N4 | C17 | C22 | N8 | 48.4° | 173.1° |
| H19 | N4 | C17 | C18 | 28.5° | 92.2° |
| H19 | N4 | C17 | C22 | 89.9° | 27.9° |
| H19 | N4 | C17 | H20 | 147.9° | 147.8° |
| C18 | C17 | C22 | H20 | 119.1° | 120.0° |
| C17 | C18 | C19 | H21 | 120.3° | 120.0° |
| C17 | C18 | C19 | H22 | 120.3° | 120.0° |
| C17 | C18 | H21 | H22 | 119.1° | 120.0° |
| C17 | C18 | C19 | C20 | 106.1° | 180.0° |
| C17 | C18 | C19 | H23 | 13.9° | 60.0° |
| C17 | C18 | C19 | H24 | 133.8° | 60.0° |
| C18 | C17 | C22 | O5 | 110.2° | 113.1° |
| C18 | C17 | N4 | C14 | 151.5° | 87.8° |
| C18 | C17 | C22 | N8 | 69.3° | 66.8° |
| C22 | C17 | C18 | C19 | 104.9° | 175.0° |
| C22 | C17 | C18 | H21 | 15.3° | 55.0° |
| C22 | C17 | C18 | H22 | 134.7° | 65.0° |
| C17 | C22 | O5 | N8 | 179.5° | 180.0° |
| C17 | C22 | N8 | C23 | 179.9° | 174.8° |
| C17 | C22 | N8 | H32 | 0.2° | 5.1° |
| C22 | C17 | N4 | C14 | 90.2° | 152.2° |
| H20 | C17 | C18 | C19 | 14.0° | 55.0° |
| H20 | C17 | C18 | H21 | 134.3° | 65.0° |
| H20 | C17 | C18 | H22 | 106.3° | 175.0° |
| H20 | C17 | C22 | O5 | 8.9° | 126.8° |
| H20 | C17 | N4 | C14 | 32.1° | 32.2° |
| H20 | C17 | C22 | N8 | 171.7° | 53.2° |
| C19 | C18 | H21 | H22 | 119.1° | 120.0° |
| C18 | C19 | C20 | H23 | 120.1° | 120.0° |
| C18 | C19 | C20 | H24 | 120.0° | 120.0° |
| C18 | C19 | H23 | H24 | 119.8° | 120.0° |
| C18 | C19 | C20 | N5 | 71.9° | 180.0° |
| C18 | C19 | C20 | H25 | 48.3° | 60.0° |
| C18 | C19 | C20 | H26 | 167.9° | 60.0° |
| H21 | C18 | C19 | C20 | 133.6° | 60.0° |
| H21 | C18 | C19 | H23 | 106.4° | 180.0° |
| H21 | C18 | C19 | H24 | 13.6° | 60.0° |
| H22 | C18 | C19 | C20 | 14.2° | 60.0° |
| H22 | C18 | C19 | H23 | 134.2° | 60.0° |
| H22 | C18 | C19 | H24 | 105.9° | 180.0° |
| C20 | C19 | H23 | H24 | 119.8° | 120.1° |
| C19 | C20 | N5 | H25 | 120.2° | 120.0° |
| C19 | C20 | N5 | H26 | 120.3° | 120.0° |
| C19 | C20 | H25 | H26 | 119.3° | 120.1° |
| C19 | C20 | N5 | C21 | 68.5° | 180.0° |
| C19 | C20 | N5 | H27 | 111.5° | 0.0° |
| H23 | C19 | C20 | N5 | 168.1° | 60.1° |
| H23 | C19 | C20 | H25 | 71.7° | 180.0° |
| H23 | C19 | C20 | H26 | 47.8° | 60.0° |
| H24 | C19 | C20 | N5 | 48.2° | 60.0° |
| H24 | C19 | C20 | H25 | 168.4° | 60.0° |
| H24 | C19 | C20 | H26 | 72.1° | 180.0° |
| N5 | C20 | H25 | H26 | 119.3° | 120.0° |
| C20 | N5 | C21 | H27 | 180.0° | 179.9° |
| C20 | N5 | C21 | N6 | 179.9° | 0.1° |
| C20 | N5 | C21 | N7 | 0.4° | 180.0° |
| H25 | C20 | N5 | C21 | 171.3° | 60.1° |
| H25 | C20 | N5 | H27 | 8.7° | 120.0° |
| H26 | C20 | N5 | C21 | 51.8° | 59.9° |
| H26 | C20 | N5 | H27 | 128.3° | 120.0° |
| N5 | C21 | N6 | N7 | 179.7° | 179.9° |
| N5 | C21 | N6 | H28 | 179.7° | 0.1° |
| N5 | C21 | N6 | H29 | 0.3° | 180.0° |
| N5 | C21 | N7 | H30 | 179.6° | 0.1° |
| N5 | C21 | N7 | H31 | 0.3° | 180.0° |
| H27 | N5 | C21 | N6 | 0.1° | 180.0° |
| H27 | N5 | C21 | N7 | 179.5° | 0.1° |
| C21 | N6 | H28 | H29 | 180.0° | 179.8° |
| N6 | C21 | N7 | H30 | 0.0° | 180.0° |
| N6 | C21 | N7 | H31 | 180.0° | 0.0° |
| N7 | C21 | N6 | H28 | 0.0° | 180.0° |
| N7 | C21 | N6 | H29 | 180.0° | 0.1° |
| C21 | N7 | H30 | H31 | 180.0° | 180.0° |
| O5 | C22 | N8 | C23 | 0.4° | 5.1° |
| O5 | C22 | N8 | H32 | 179.7° | 174.9° |
| C23 | N8 | H32 | C22 | 180.0° | 180.0° |
| N8 | C23 | C24 | C25 | 120.5° | 120.0° |
| N8 | C23 | C24 | H33 | 120.4° | 120.0° |
| N8 | C23 | C25 | H33 | 121.3° | 120.0° |
| N8 | C23 | C24 | O6 | 1.4° | 106.7° |
| N8 | C23 | C25 | O7 | 25.8° | 50.5° |
| N8 | C23 | C25 | C26 | 95.2° | 170.5° |
| N8 | C23 | C25 | H34 | 145.4° | 69.4° |
| N8 | C23 | C24 | N9 | 179.6° | 73.3° |
| H32 | N8 | C23 | C24 | 61.2° | 24.9° |
| H32 | N8 | C23 | C25 | 57.1° | 95.1° |
| H32 | N8 | C23 | H33 | 178.3° | 144.9° |
| C24 | C23 | C25 | H33 | 119.2° | 120.0° |
| C23 | C24 | O6 | N9 | 179.0° | 180.0° |
| C24 | C23 | C25 | O7 | 93.6° | 170.5° |
| C24 | C23 | C25 | C26 | 145.3° | 69.5° |
| C24 | C23 | C25 | H34 | 26.0° | 50.6° |
| C23 | C24 | N9 | C27 | 179.8° | 0.1° |
| C23 | C24 | N9 | H38 | 0.2° | 179.9° |
| C24 | C23 | N8 | C22 | 118.8° | 155.1° |
| C25 | C23 | C24 | O6 | 119.1° | 13.3° |
| C23 | C25 | O7 | C26 | 121.9° | 119.9° |
| C23 | C25 | O7 | H34 | 118.8° | 119.9° |
| C23 | C25 | C26 | H34 | 119.3° | 120.1° |
| C23 | C25 | C26 | H35 | 180.0° | 60.0° |
| C23 | C25 | C26 | H36 | 60.0° | 180.0° |
| C23 | C25 | C26 | H37 | 60.0° | 60.0° |
| C25 | C23 | N8 | C22 | 122.9° | 84.8° |
| C25 | C23 | C24 | N9 | 59.9° | 166.7° |
| C23 | C25 | O7 | C64 | 140.3° | 172.5° |
| H33 | C23 | C24 | O6 | 121.8° | 133.3° |
| H33 | C23 | C25 | O7 | 147.2° | 69.5° |
| H33 | C23 | C25 | C26 | 26.1° | 50.5° |
| H33 | C23 | C25 | H34 | 93.3° | 170.6° |
| H33 | C23 | N8 | C22 | 1.6° | 35.1° |
| H33 | C23 | C24 | N9 | 59.2° | 46.7° |
| O6 | C24 | N9 | C27 | 0.7° | 179.9° |
| O6 | C24 | N9 | H38 | 179.3° | 0.1° |
| O7 | C25 | C26 | H34 | 120.1° | 120.1° |
| O7 | C25 | C26 | H35 | 59.4° | 59.8° |
| O7 | C25 | C26 | H36 | 179.4° | 60.2° |
| O7 | C25 | C26 | H37 | 60.6° | 179.8° |
| C25 | O7 | C64 | C63 | 103.3° | 179.8° |
| C25 | O7 | C64 | O20 | 76.5° | 0.1° |
| C25 | C26 | H35 | H36 | 120.0° | 120.0° |
| C25 | C26 | H35 | H37 | 120.0° | 120.0° |
| C25 | C26 | H36 | H37 | 120.0° | 119.9° |
| C26 | C25 | O7 | C64 | 97.9° | 67.5° |
| H34 | C25 | C26 | H35 | 60.6° | 179.9° |
| H34 | C25 | C26 | H36 | 59.3° | 59.9° |
| H34 | C25 | C26 | H37 | 179.3° | 60.1° |
| H34 | C25 | O7 | C64 | 21.5° | 52.6° |
| H35 | C26 | H36 | H37 | 120.0° | 120.1° |
| N11 | C32 | N10 | H43 | 180.0° | 179.9° |
| C32 | N11 | C31 | C30 | 0.0° | 0.2° |
| N11 | C32 | N10 | C33 | 179.9° | 179.9° |
| N11 | C32 | N10 | C30 | 0.1° | 0.1° |
| C32 | N11 | C31 | H42 | 180.0° | 179.8° |
| C31 | N11 | C32 | N10 | 0.1° | 0.0° |
| N11 | C31 | C30 | H42 | 180.0° | 180.0° |
| N11 | C31 | C30 | N10 | 0.0° | 0.3° |
| N11 | C31 | C30 | C29 | 179.8° | 179.9° |
| C31 | N11 | C32 | H43 | 179.9° | 179.9° |
| C32 | N10 | C30 | C31 | 0.0° | 0.3° |
| C32 | N10 | C33 | C30 | 179.9° | 179.9° |
| C32 | N10 | C30 | C29 | 179.8° | 179.9° |
| C32 | N10 | C33 | H44 | 180.0° | 90.0° |
| C32 | N10 | C33 | H45 | 60.0° | 30.0° |
| C32 | N10 | C33 | H46 | 60.0° | 150.0° |
| C31 | C30 | N10 | C33 | 179.9° | 179.8° |
| C31 | C30 | N10 | C29 | 179.8° | 179.7° |
| C31 | C30 | C29 | C27 | 28.9° | 89.2° |
| C31 | C30 | C29 | H40 | 149.0° | 30.8° |
| C31 | C30 | C29 | H41 | 91.3° | 150.8° |
| C33 | N10 | C30 | C29 | 0.1° | 0.1° |
| C33 | N10 | C32 | H43 | 0.2° | 0.0° |
| N10 | C33 | H44 | H45 | 120.0° | 120.0° |
| N10 | C33 | H44 | H46 | 120.0° | 120.0° |
| N10 | C33 | H45 | H46 | 120.0° | 120.0° |
| N10 | C30 | C29 | C27 | 150.9° | 90.4° |
| N10 | C30 | C29 | H40 | 30.7° | 149.6° |
| N10 | C30 | C29 | H41 | 89.0° | 29.7° |
| N10 | C30 | C31 | H42 | 180.0° | 179.7° |
| C30 | N10 | C32 | H43 | 179.9° | 180.0° |
| C30 | N10 | C33 | H44 | 0.1° | 90.0° |
| C30 | N10 | C33 | H45 | 119.9° | 150.0° |
| C30 | N10 | C33 | H46 | 120.1° | 29.9° |
| C30 | C29 | C27 | N9 | 55.0° | 61.7° |
| C30 | C29 | C27 | H40 | 120.2° | 120.0° |
| C30 | C29 | C27 | H41 | 120.2° | 120.0° |
| C30 | C29 | C27 | C28 | 174.6° | 179.2° |
| C30 | C29 | C27 | H39 | 64.2° | 58.7° |
| C30 | C29 | H40 | H41 | 119.5° | 119.9° |
| C29 | C30 | C31 | H42 | 0.2° | 0.1° |
| N9 | C27 | C29 | C28 | 119.6° | 119.2° |
| N9 | C27 | C29 | H39 | 119.2° | 120.4° |
| N9 | C27 | C28 | H39 | 118.7° | 119.8° |
| N9 | C27 | C28 | O8 | 28.0° | 41.3° |
| C27 | N9 | H38 | C24 | 180.0° | 180.0° |
| N9 | C27 | C29 | H40 | 65.2° | 178.4° |
| N9 | C27 | C29 | H41 | 175.2° | 58.3° |
| N9 | C27 | C28 | N12 | 150.5° | 138.7° |
| C29 | C27 | C28 | H39 | 121.4° | 120.5° |
| C29 | C27 | C28 | O8 | 92.0° | 161.0° |
| C29 | C27 | N9 | H38 | 3.4° | 52.5° |
| C27 | C29 | H40 | H41 | 119.5° | 120.1° |
| C29 | C27 | N9 | C24 | 176.6° | 127.4° |
| C29 | C27 | C28 | N12 | 89.6° | 19.0° |
| C27 | C28 | O8 | N12 | 178.5° | 180.0° |
| C28 | C27 | N9 | H38 | 126.4° | 67.2° |
| C28 | C27 | C29 | H40 | 54.4° | 59.2° |
| C28 | C27 | C29 | H41 | 65.3° | 60.8° |
| C27 | C28 | N12 | C34 | 179.2° | 179.9° |
| C27 | C28 | N12 | H47 | 0.8° | 0.0° |
| C28 | C27 | N9 | C24 | 53.6° | 112.8° |
| O8 | C28 | C27 | H39 | 146.7° | 78.5° |
| O8 | C28 | N12 | C34 | 0.7° | 0.1° |
| O8 | C28 | N12 | H47 | 179.3° | 180.0° |
| H38 | N9 | C27 | H39 | 115.5° | 173.0° |
| H39 | C27 | C29 | H40 | 175.6° | 61.2° |
| H39 | C27 | C29 | H41 | 55.9° | 178.7° |
| H39 | C27 | N9 | C24 | 64.5° | 7.0° |
| H39 | C27 | C28 | N12 | 31.8° | 101.5° |
| H44 | C33 | H45 | H46 | 120.0° | 120.0° |
| C34 | N12 | H47 | C28 | 180.0° | 179.9° |
| N12 | C34 | C35 | C36 | 122.0° | 119.4° |
| N12 | C34 | C35 | H48 | 120.6° | 120.2° |
| N12 | C34 | C36 | H48 | 123.8° | 119.9° |
| N12 | C34 | C35 | O9 | 0.2° | 68.0° |
| N12 | C34 | C35 | O11 | 178.4° | 111.9° |
| N12 | C34 | C36 | C37 | 44.3° | 136.4° |
| N12 | C34 | C36 | H49 | 76.3° | 103.6° |
| N12 | C34 | C36 | H50 | 165.0° | 16.4° |
| H47 | N12 | C34 | C35 | 97.9° | 158.9° |
| H47 | N12 | C34 | C36 | 19.4° | 81.3° |
| H47 | N12 | C34 | H48 | 142.1° | 38.6° |
| C35 | C34 | C36 | H48 | 117.9° | 120.3° |
| C34 | C35 | O9 | O11 | 178.3° | 179.9° |
| C35 | C34 | C36 | C37 | 162.6° | 16.6° |
| C35 | C34 | C36 | H49 | 42.0° | 136.6° |
| C35 | C34 | C36 | H50 | 76.7° | 103.4° |
| C34 | C35 | O11 | H51 | 178.3° | 180.0° |
| C35 | C34 | N12 | C28 | 82.1° | 21.1° |
| C36 | C34 | C35 | O9 | 121.9° | 51.4° |
| C36 | C34 | C35 | O11 | 56.4° | 128.7° |
| C34 | C36 | C37 | H49 | 120.6° | 120.0° |
| C34 | C36 | C37 | H50 | 120.6° | 120.0° |
| C34 | C36 | H49 | H50 | 118.0° | 120.0° |
| C34 | C36 | C37 | O10 | 10.9° | 21.9° |
| C36 | C34 | N12 | C28 | 160.6° | 98.8° |
| C34 | C36 | C37 | N13 | 169.7° | 158.1° |
| H48 | C34 | C35 | O9 | 120.8° | 171.8° |
| H48 | C34 | C35 | O11 | 60.9° | 8.3° |
| H48 | C34 | C36 | C37 | 79.5° | 103.7° |
| H48 | C34 | C36 | H49 | 159.9° | 16.3° |
| H48 | C34 | C36 | H50 | 41.2° | 136.3° |
| H48 | C34 | N12 | C28 | 37.9° | 141.3° |
| O9 | C35 | O11 | H51 | 0.0° | 0.0° |
| C37 | C36 | H49 | H50 | 118.0° | 120.0° |
| C36 | C37 | O10 | N13 | 179.4° | 180.0° |
| C36 | C37 | N13 | C38 | 179.9° | 179.9° |
| C36 | C37 | N13 | H52 | 0.1° | 0.1° |
| H49 | C36 | C37 | O10 | 109.7° | 141.9° |
| H49 | C36 | C37 | N13 | 69.7° | 38.1° |
| H50 | C36 | C37 | O10 | 131.6° | 98.1° |
| H50 | C36 | C37 | N13 | 49.0° | 81.9° |
| O10 | C37 | N13 | C38 | 0.5° | 0.1° |
| O10 | C37 | N13 | H52 | 179.5° | 179.9° |
| C38 | N13 | H52 | C37 | 180.0° | 180.0° |
| N13 | C38 | C39 | C40 | 120.0° | 119.8° |
| N13 | C38 | C39 | H53 | 121.8° | 119.8° |
| N13 | C38 | C40 | H53 | 116.8° | 120.3° |
| N13 | C38 | C39 | O12 | 79.3° | 34.3° |
| N13 | C38 | C40 | O13 | 157.3° | 177.4° |
| N13 | C38 | C40 | H54 | 37.0° | 57.4° |
| N13 | C38 | C40 | H55 | 82.5° | 62.6° |
| N13 | C38 | C39 | N14 | 101.7° | 145.7° |
| H52 | N13 | C38 | C39 | 150.0° | 44.2° |
| H52 | N13 | C38 | C40 | 27.6° | 164.0° |
| H52 | N13 | C38 | H53 | 88.7° | 75.6° |
| C39 | C38 | C40 | H53 | 118.2° | 120.3° |
| C38 | C39 | O12 | N14 | 179.0° | 180.0° |
| C39 | C38 | C40 | O13 | 32.3° | 58.0° |
| C39 | C38 | C40 | H54 | 87.9° | 62.0° |
| C39 | C38 | C40 | H55 | 152.5° | 178.0° |
| C38 | C39 | N14 | C41 | 179.0° | 179.8° |
| C38 | C39 | N14 | H57 | 1.1° | 0.2° |
| C39 | C38 | N13 | C37 | 30.0° | 135.9° |
| C40 | C38 | C39 | O12 | 40.7° | 154.2° |
| C38 | C40 | O13 | H54 | 120.2° | 120.0° |
| C38 | C40 | O13 | H55 | 120.2° | 120.0° |
| C38 | C40 | H54 | H55 | 119.3° | 120.0° |
| C38 | C40 | O13 | H56 | 41.4° | 180.0° |
| C40 | C38 | N13 | C37 | 152.4° | 16.1° |
| C40 | C38 | C39 | N14 | 138.3° | 25.8° |
| H53 | C38 | C39 | O12 | 158.9° | 85.5° |
| H53 | C38 | C40 | O13 | 85.9° | 62.2° |
| H53 | C38 | C40 | H54 | 153.8° | 177.8° |
| H53 | C38 | C40 | H55 | 34.3° | 57.8° |
| H53 | C38 | N13 | C37 | 91.3° | 104.3° |
| H53 | C38 | C39 | N14 | 20.0° | 94.5° |
| O12 | C39 | N14 | C41 | 0.0° | 0.2° |
| O12 | C39 | N14 | H57 | 179.9° | 179.8° |
| O13 | C40 | H54 | H55 | 119.3° | 120.0° |
| H54 | C40 | O13 | H56 | 78.8° | 59.9° |
| H55 | C40 | O13 | H56 | 161.6° | 60.0° |
| C41 | N14 | H57 | C39 | 180.0° | 180.0° |
| N14 | C41 | C42 | C43 | 119.0° | 119.8° |
| N14 | C41 | C42 | H58 | 121.7° | 119.8° |
| N14 | C41 | C43 | H58 | 118.9° | 120.3° |
| N14 | C41 | C42 | O14 | 33.3° | 43.7° |
| N14 | C41 | C43 | C44 | 168.8° | 58.4° |
| N14 | C41 | C43 | H59 | 70.5° | 178.4° |
| N14 | C41 | C43 | H60 | 48.1° | 61.6° |
| N14 | C41 | C42 | N15 | 147.2° | 136.3° |
| H57 | N14 | C41 | C42 | 105.0° | 27.1° |
| H57 | N14 | C41 | C43 | 15.2° | 146.9° |
| H57 | N14 | C41 | H58 | 133.4° | 92.7° |
| C42 | C41 | C43 | H58 | 119.7° | 120.4° |
| C41 | C42 | O14 | N15 | 179.5° | 180.0° |
| C42 | C41 | C43 | C44 | 47.4° | 60.9° |
| C42 | C41 | C43 | H59 | 168.1° | 59.1° |
| C42 | C41 | C43 | H60 | 73.4° | 179.1° |
| C41 | C42 | N15 | C50 | 179.9° | 179.4° |
| C41 | C42 | N15 | H66 | 0.1° | 0.6° |
| C42 | C41 | N14 | C39 | 75.0° | 152.8° |
| C43 | C41 | C42 | O14 | 85.7° | 163.5° |
| C41 | C43 | C44 | H59 | 120.7° | 120.0° |
| C41 | C43 | C44 | H60 | 120.8° | 120.0° |
| C41 | C43 | H59 | H60 | 117.7° | 120.0° |
| C41 | C43 | C44 | C45 | 77.3° | 98.0° |
| C41 | C43 | C44 | C46 | 104.0° | 82.2° |
| C43 | C41 | N14 | C39 | 164.8° | 33.0° |
| C43 | C41 | C42 | N15 | 93.8° | 16.5° |
| H58 | C41 | C42 | O14 | 155.1° | 76.1° |
| H58 | C41 | C43 | C44 | 72.3° | 178.7° |
| H58 | C41 | C43 | H59 | 48.4° | 61.3° |
| H58 | C41 | C43 | H60 | 166.9° | 58.7° |
| H58 | C41 | N14 | C39 | 46.6° | 87.3° |
| H58 | C41 | C42 | N15 | 25.4° | 103.9° |
| O14 | C42 | N15 | C50 | 0.4° | 0.6° |
| O14 | C42 | N15 | H66 | 179.6° | 179.4° |
| C44 | C43 | H59 | H60 | 117.7° | 120.0° |
| C43 | C44 | C45 | C46 | 178.7° | 179.7° |
| C43 | C44 | C45 | C47 | 179.8° | 180.0° |
| C43 | C44 | C45 | H61 | 0.2° | 0.1° |
| C43 | C44 | C46 | C48 | 179.8° | 180.0° |
| C43 | C44 | C46 | H62 | 0.1° | 0.0° |
| H59 | C43 | C44 | C45 | 161.9° | 21.9° |
| H59 | C43 | C44 | C46 | 16.7° | 157.8° |
| H60 | C43 | C44 | C45 | 43.5° | 141.9° |
| H60 | C43 | C44 | C46 | 135.2° | 37.8° |
| C44 | C45 | C47 | H61 | 180.0° | 180.0° |
| C45 | C44 | C46 | C48 | 1.2° | 0.3° |
| C45 | C44 | C46 | H62 | 178.8° | 179.7° |
| C44 | C45 | C47 | C49 | 0.6° | 0.0° |
| C44 | C45 | C47 | H63 | 179.4° | 179.9° |
| C46 | C44 | C45 | C47 | 1.2° | 0.3° |
| C46 | C44 | C45 | H61 | 178.8° | 179.8° |
| C44 | C46 | C48 | H62 | 180.0° | 180.0° |
| C44 | C46 | C48 | C49 | 0.6° | 0.0° |
| C44 | C46 | C48 | H64 | 179.4° | 180.0° |
| C45 | C47 | C49 | H63 | 180.0° | 179.9° |
| C45 | C47 | C49 | C48 | 0.1° | 0.2° |
| C45 | C47 | C49 | H65 | 180.0° | 180.0° |
| H61 | C45 | C47 | C49 | 179.4° | 180.0° |
| H61 | C45 | C47 | H63 | 0.6° | 0.1° |
| C46 | C48 | C49 | C47 | 0.0° | 0.2° |
| C46 | C48 | C49 | H64 | 180.0° | 180.0° |
| C46 | C48 | C49 | H65 | 180.0° | 180.0° |
| H62 | C46 | C48 | C49 | 179.4° | 179.9° |
| H62 | C46 | C48 | H64 | 0.6° | 0.0° |
| C47 | C49 | C48 | H65 | 180.0° | 179.8° |
| C47 | C49 | C48 | H64 | 180.0° | 179.7° |
| H63 | C47 | C49 | C48 | 180.0° | 179.8° |
| H63 | C47 | C49 | H65 | 0.0° | 0.1° |
| H64 | C48 | C49 | H65 | 0.0° | 0.1° |
| C50 | N15 | H66 | C42 | 180.0° | 180.0° |
| N15 | C50 | C51 | H67 | 120.5° | 119.8° |
| N15 | C50 | C51 | H68 | 120.4° | 119.9° |
| N15 | C50 | H67 | H68 | 118.7° | 120.4° |
| N15 | C50 | C51 | O15 | 177.7° | 25.2° |
| N15 | C50 | C51 | N16 | 2.8° | 154.8° |
| H66 | N15 | C50 | C51 | 100.3° | 36.5° |
| H66 | N15 | C50 | H67 | 20.2° | 156.3° |
| H66 | N15 | C50 | H68 | 139.3° | 83.3° |
| C51 | C50 | H67 | H68 | 118.6° | 120.3° |
| C50 | C51 | O15 | N16 | 179.5° | 180.0° |
| C50 | C51 | N16 | C52 | 179.8° | 179.3° |
| C50 | C51 | N16 | H69 | 0.2° | 0.7° |
| C51 | C50 | N15 | C42 | 79.7° | 143.5° |
| H67 | C50 | C51 | O15 | 61.9° | 145.0° |
| H67 | C50 | N15 | C42 | 159.9° | 23.7° |
| H67 | C50 | C51 | N16 | 117.6° | 35.0° |
| H68 | C50 | C51 | O15 | 57.2° | 94.7° |
| H68 | C50 | N15 | C42 | 40.7° | 96.7° |
| H68 | C50 | C51 | N16 | 123.3° | 85.3° |
| O15 | C51 | N16 | C52 | 0.3° | 0.7° |
| O15 | C51 | N16 | H69 | 179.8° | 179.3° |
| C52 | N16 | H69 | C51 | 180.0° | 180.0° |
| N16 | C52 | C53 | C57 | 119.7° | 119.1° |
| N16 | C52 | C53 | H70 | 120.8° | 120.4° |
| N16 | C52 | C57 | H70 | 119.4° | 119.8° |
| N16 | C52 | C53 | C54 | 86.5° | 65.1° |
| N16 | C52 | C53 | H71 | 153.4° | 175.0° |
| N16 | C52 | C53 | H72 | 33.5° | 55.0° |
| N16 | C52 | C57 | O16 | 18.4° | 20.1° |
| N16 | C52 | C57 | N20 | 161.3° | 159.8° |
| H69 | N16 | C52 | C53 | 1.9° | 72.3° |
| H69 | N16 | C52 | C57 | 119.8° | 47.4° |
| H69 | N16 | C52 | H70 | 121.7° | 167.2° |
| C53 | C52 | C57 | H70 | 119.3° | 120.5° |
| C52 | C53 | C54 | H71 | 120.0° | 119.9° |
| C52 | C53 | C54 | H72 | 120.1° | 120.1° |
| C52 | C53 | H71 | H72 | 119.8° | 120.0° |
| C52 | C53 | C54 | C55 | 75.4° | 180.0° |
| C52 | C53 | C54 | H73 | 164.4° | 60.1° |
| C52 | C53 | C54 | H74 | 44.8° | 59.9° |
| C53 | C52 | C57 | O16 | 103.0° | 99.6° |
| C53 | C52 | N16 | C51 | 178.1° | 107.6° |
| C53 | C52 | C57 | N20 | 77.4° | 80.5° |
| C57 | C52 | C53 | C54 | 153.7° | 175.9° |
| C57 | C52 | C53 | H71 | 33.7° | 55.9° |
| C57 | C52 | C53 | H72 | 86.2° | 64.1° |
| C52 | C57 | O16 | N20 | 179.7° | 179.9° |
| C52 | C57 | N20 | C58 | 179.6° | 179.6° |
| C52 | C57 | N20 | H82 | 0.4° | 0.4° |
| C57 | C52 | N16 | C51 | 60.2° | 132.7° |
| H70 | C52 | C53 | C54 | 34.3° | 55.3° |
| H70 | C52 | C53 | H71 | 85.7° | 64.6° |
| H70 | C52 | C53 | H72 | 154.3° | 175.4° |
| H70 | C52 | C57 | O16 | 137.7° | 139.9° |
| H70 | C52 | N16 | C51 | 58.3° | 12.8° |
| H70 | C52 | C57 | N20 | 41.9° | 40.0° |
| C54 | C53 | H71 | H72 | 119.8° | 120.0° |
| C53 | C54 | C55 | H73 | 120.2° | 119.9° |
| C53 | C54 | C55 | H74 | 120.2° | 120.1° |
| C53 | C54 | H73 | H74 | 119.3° | 120.0° |
| C53 | C54 | C55 | N17 | 129.1° | 180.0° |
| C53 | C54 | C55 | H75 | 110.6° | 60.0° |
| C53 | C54 | C55 | H76 | 8.8° | 59.9° |
| H71 | C53 | C54 | C55 | 44.6° | 60.1° |
| H71 | C53 | C54 | H73 | 75.6° | 180.0° |
| H71 | C53 | C54 | H74 | 164.9° | 60.0° |
| H72 | C53 | C54 | C55 | 164.6° | 59.9° |
| H72 | C53 | C54 | H73 | 44.3° | 60.0° |
| H72 | C53 | C54 | H74 | 75.2° | 180.0° |
| C55 | C54 | H73 | H74 | 119.4° | 120.0° |
| C54 | C55 | N17 | H75 | 120.3° | 120.0° |
| C54 | C55 | N17 | H76 | 120.3° | 120.1° |
| C54 | C55 | H75 | H76 | 119.0° | 120.0° |
| C54 | C55 | N17 | C56 | 59.1° | 180.0° |
| C54 | C55 | N17 | H77 | 120.8° | 0.1° |
| H73 | C54 | C55 | N17 | 8.9° | 60.0° |
| H73 | C54 | C55 | H75 | 129.2° | 180.0° |
| H73 | C54 | C55 | H76 | 111.5° | 60.0° |
| H74 | C54 | C55 | N17 | 110.7° | 59.9° |
| H74 | C54 | C55 | H75 | 9.6° | 60.1° |
| H74 | C54 | C55 | H76 | 129.0° | 180.0° |
| N17 | C55 | H75 | H76 | 119.0° | 120.0° |
| C55 | N17 | C56 | H77 | 180.0° | 179.9° |
| C55 | N17 | C56 | N18 | 179.3° | 0.0° |
| C55 | N17 | C56 | N19 | 0.4° | 180.0° |
| H75 | C55 | N17 | C56 | 61.2° | 60.0° |
| H75 | C55 | N17 | H77 | 118.8° | 120.1° |
| H76 | C55 | N17 | C56 | 179.5° | 60.0° |
| H76 | C55 | N17 | H77 | 0.5° | 120.0° |
| N17 | C56 | N18 | N19 | 179.7° | 180.0° |
| N17 | C56 | N18 | H78 | 179.7° | 0.0° |
| N17 | C56 | N18 | H79 | 0.2° | 179.9° |
| N17 | C56 | N19 | H80 | 179.7° | 180.0° |
| N17 | C56 | N19 | H81 | 0.2° | 0.0° |
| H77 | N17 | C56 | N18 | 0.7° | 180.0° |
| H77 | N17 | C56 | N19 | 179.6° | 0.1° |
| C56 | N18 | H78 | H79 | 180.0° | 179.9° |
| N18 | C56 | N19 | H80 | 0.0° | 0.0° |
| N18 | C56 | N19 | H81 | 180.0° | 180.0° |
| N19 | C56 | N18 | H78 | 0.0° | 180.0° |
| N19 | C56 | N18 | H79 | 180.0° | 0.0° |
| C56 | N19 | H80 | H81 | 180.0° | 180.0° |
| O16 | C57 | N20 | C58 | 0.0° | 0.3° |
| O16 | C57 | N20 | H82 | 180.0° | 179.7° |
| C58 | N20 | H82 | C57 | 180.0° | 180.0° |
| N20 | C58 | C59 | C60 | 121.5° | 119.9° |
| N20 | C58 | C59 | H83 | 118.8° | 119.9° |
| N20 | C58 | C60 | H83 | 120.7° | 120.2° |
| N20 | C58 | C59 | O17 | 40.4° | 40.5° |
| N20 | C58 | C60 | O18 | 74.3° | 65.0° |
| N20 | C58 | C60 | H84 | 45.6° | 175.0° |
| N20 | C58 | C60 | H85 | 165.9° | 55.0° |
| N20 | C58 | C59 | N21 | 139.5° | 139.6° |
| H82 | N20 | C58 | C59 | 65.9° | 19.8° |
| H82 | N20 | C58 | C60 | 55.6° | 100.1° |
| H82 | N20 | C58 | H83 | 176.0° | 139.7° |
| C59 | C58 | C60 | H83 | 119.3° | 120.2° |
| C58 | C59 | O17 | N21 | 179.9° | 180.0° |
| C59 | C58 | C60 | O18 | 165.7° | 54.6° |
| C59 | C58 | C60 | H84 | 74.4° | 65.4° |
| C59 | C58 | C60 | H85 | 45.9° | 174.6° |
| C58 | C59 | N21 | C61 | 179.4° | 178.2° |
| C58 | C59 | N21 | H87 | 0.6° | 1.7° |
| C59 | C58 | N20 | C57 | 114.2° | 160.2° |
| C60 | C58 | C59 | O17 | 81.1° | 79.4° |
| C58 | C60 | O18 | H84 | 119.9° | 120.0° |
| C58 | C60 | O18 | H85 | 119.8° | 120.0° |
| C58 | C60 | H84 | H85 | 120.4° | 120.0° |
| C58 | C60 | O18 | H86 | 180.0° | 180.0° |
| C60 | C58 | N20 | C57 | 124.4° | 80.0° |
| C60 | C58 | C59 | N21 | 99.0° | 100.6° |
| H83 | C58 | C59 | O17 | 159.3° | 160.4° |
| H83 | C58 | C60 | O18 | 46.4° | 174.8° |
| H83 | C58 | C60 | H84 | 166.3° | 54.8° |
| H83 | C58 | C60 | H85 | 73.4° | 65.2° |
| H83 | C58 | N20 | C57 | 4.0° | 40.2° |
| H83 | C58 | C59 | N21 | 20.6° | 19.6° |
| O17 | C59 | N21 | C61 | 0.5° | 1.8° |
| O17 | C59 | N21 | H87 | 179.5° | 178.3° |
| O18 | C60 | H84 | H85 | 120.4° | 120.1° |
| H84 | C60 | O18 | H86 | 60.2° | 60.0° |
| H85 | C60 | O18 | H86 | 60.2° | 60.0° |
| C61 | N21 | H87 | C59 | 180.0° | 179.9° |
| N21 | C61 | C62 | C63 | 119.7° | 119.3° |
| N21 | C61 | C62 | H88 | 119.6° | 120.3° |
| N21 | C61 | C63 | H88 | 117.0° | 119.8° |
| N21 | C61 | C62 | O19 | 26.4° | 19.9° |
| N21 | C61 | C62 | O21 | 152.6° | 160.0° |
| N21 | C61 | C63 | C64 | 110.9° | 69.5° |
| N21 | C61 | C63 | H89 | 128.5° | 170.5° |
| N21 | C61 | C63 | H90 | 9.8° | 50.5° |
| H87 | N21 | C61 | C62 | 43.5° | 45.6° |
| H87 | N21 | C61 | C63 | 80.5° | 74.2° |
| H87 | N21 | C61 | H88 | 163.3° | 165.9° |
| C62 | C61 | C63 | H88 | 121.5° | 120.4° |
| C61 | C62 | O19 | O21 | 179.0° | 179.9° |
| C62 | C61 | C63 | C64 | 10.6° | 50.3° |
| C62 | C61 | C63 | H89 | 110.1° | 69.8° |
| C62 | C61 | C63 | H90 | 131.3° | 170.3° |
| C61 | C62 | O21 | H91 | 179.0° | 180.0° |
| C62 | C61 | N21 | C59 | 136.4° | 134.4° |
| C63 | C61 | C62 | O19 | 93.3° | 99.3° |
| C63 | C61 | C62 | O21 | 87.7° | 80.7° |
| C61 | C63 | C64 | H89 | 120.7° | 120.0° |
| C61 | C63 | C64 | H90 | 120.7° | 120.0° |
| C61 | C63 | H89 | H90 | 117.9° | 120.0° |
| C61 | C63 | C64 | O20 | 139.2° | 17.5° |
| C61 | C63 | C64 | O7 | 41.0° | 162.6° |
| C63 | C61 | N21 | C59 | 99.5° | 105.9° |
| H88 | C61 | C62 | O19 | 146.0° | 140.2° |
| H88 | C61 | C62 | O21 | 33.0° | 39.7° |
| H88 | C61 | C63 | C64 | 132.1° | 170.7° |
| H88 | C61 | C63 | H89 | 11.5° | 50.6° |
| H88 | C61 | C63 | H90 | 107.2° | 69.3° |
| H88 | C61 | N21 | C59 | 16.7° | 14.0° |
| O19 | C62 | O21 | H91 | 0.0° | 0.0° |
| C64 | C63 | H89 | H90 | 117.9° | 119.9° |
| C63 | C64 | O20 | O7 | 179.8° | 179.9° |
| H89 | C63 | C64 | O20 | 18.5° | 102.5° |
| H89 | C63 | C64 | O7 | 161.6° | 77.4° |
| H90 | C63 | C64 | O20 | 100.1° | 137.6° |
| H90 | C63 | C64 | O7 | 79.7° | 42.5° |
