PRD_002429
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.46Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.50Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | O2 | sing | 1.45Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| N2 | C5 | sing | 1.48Å | 1.45Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.50Å | 1.56Å | |
| C5 | C7 | sing | 1.51Å | 1.52Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | O3 | doub | 1.21Å | 1.23Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | O4 | sing | 1.36Å | 1.37Å | |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| O4 | H11 | sing | 0.97Å | 0.95Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| N3 | C13 | sing | 1.48Å | 1.45Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.50Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | O5 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | O6 | doub | 1.21Å | 1.26Å | |
| C17 | O7 | sing | 1.34Å | 1.25Å | |
| O7 | H20 | sing | 0.97Å | 0.95Å | |
| N4 | C18 | sing | 1.48Å | 1.45Å | |
| N4 | H21 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.50Å | 1.52Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | O8 | doub | 1.21Å | 1.23Å | |
| N5 | C20 | sing | 1.47Å | 1.46Å | |
| C20 | C21 | sing | 1.50Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | O9 | sing | 1.43Å | 1.42Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| N5 | H24 | sing | 0.97Å | 1.00Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | O10 | doub | 1.21Å | 1.22Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| O9 | H27 | sing | 0.97Å | 0.95Å | |
| C24 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C25 | H30 | sing | 1.08Å | 1.08Å | |
| C26 | H31 | sing | 1.08Å | 1.08Å | |
| C27 | H32 | sing | 1.08Å | 1.08Å | |
| N6 | C29 | sing | 1.47Å | 1.47Å | |
| N6 | C33 | sing | 1.47Å | 1.47Å | |
| C29 | C30 | sing | 1.50Å | 1.53Å | |
| C29 | C31 | sing | 1.54Å | 1.54Å | |
| C29 | H33 | sing | 1.10Å | 1.10Å | |
| C30 | O11 | doub | 1.21Å | 1.23Å | |
| C31 | C32 | sing | 1.54Å | 1.52Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.54Å | 1.52Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| O12 | C34 | sing | 1.43Å | 1.43Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | C34 | sing | 1.53Å | 1.53Å | |
| C36 | C38 | sing | 1.53Å | 1.52Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| N7 | C35 | sing | 1.47Å | 1.45Å | |
| C35 | C39 | sing | 1.50Å | 1.52Å | |
| C39 | O13 | doub | 1.21Å | 1.22Å | |
| C34 | H40 | sing | 1.09Å | 1.10Å | |
| C35 | H41 | sing | 1.09Å | 1.10Å | |
| C36 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å | |
| C37 | H45 | sing | 1.09Å | 1.10Å | |
| C38 | H46 | sing | 1.09Å | 1.10Å | |
| C38 | H47 | sing | 1.09Å | 1.10Å | |
| C38 | H48 | sing | 1.09Å | 1.10Å | |
| O12 | H49 | sing | 0.97Å | 0.95Å | |
| N7 | H50 | sing | 0.97Å | 1.00Å | |
| N8 | C40 | sing | 1.48Å | 1.45Å | |
| N8 | H51 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | sing | 1.50Å | 1.52Å | |
| C40 | H52 | sing | 1.09Å | 1.10Å | |
| C40 | H53 | sing | 1.09Å | 1.10Å | |
| C41 | O14 | doub | 1.21Å | 1.23Å | |
| O17 | C46 | sing | 1.36Å | 1.37Å | |
| C50 | C46 | doub | 1.39Å | 1.39Å | Aromatic |
| C50 | C48 | sing | 1.38Å | 1.38Å | Aromatic |
| C46 | C49 | sing | 1.39Å | 1.39Å | Aromatic |
| C48 | C45 | doub | 1.38Å | 1.39Å | Aromatic |
| O15 | C42 | doub | 1.21Å | 1.23Å | |
| C49 | C47 | doub | 1.38Å | 1.39Å | Aromatic |
| C45 | C47 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | C44 | sing | 1.51Å | 1.51Å | |
| C43 | C42 | sing | 1.51Å | 1.53Å | |
| C43 | N9 | sing | 1.48Å | 1.45Å | |
| C43 | C44 | sing | 1.53Å | 1.54Å | |
| C44 | O16 | sing | 1.43Å | 1.42Å | |
| N9 | H54 | sing | 0.97Å | 1.00Å | |
| C43 | H55 | sing | 1.09Å | 1.10Å | |
| C44 | H56 | sing | 1.09Å | 1.10Å | |
| O16 | H57 | sing | 0.97Å | 0.95Å | |
| O17 | H58 | sing | 0.97Å | 0.95Å | |
| C47 | H59 | sing | 1.08Å | 1.08Å | |
| C48 | H60 | sing | 1.08Å | 1.08Å | |
| C49 | H61 | sing | 1.08Å | 1.08Å | |
| C50 | H62 | sing | 1.08Å | 1.08Å | |
| N10 | C51 | sing | 1.48Å | 1.45Å | |
| N10 | H63 | sing | 0.97Å | 1.00Å | |
| C51 | C52 | sing | 1.50Å | 1.52Å | |
| C51 | C53 | sing | 1.53Å | 1.53Å | |
| C51 | H64 | sing | 1.09Å | 1.10Å | |
| C52 | O18 | doub | 1.21Å | 1.20Å | |
| C53 | C54 | sing | 1.51Å | 1.51Å | |
| C53 | H65 | sing | 1.09Å | 1.10Å | |
| C53 | H66 | sing | 1.09Å | 1.10Å | |
| C54 | C55 | doub | 1.38Å | 1.39Å | Aromatic |
| C54 | C56 | sing | 1.38Å | 1.39Å | Aromatic |
| C55 | C57 | sing | 1.38Å | 1.39Å | Aromatic |
| C55 | H67 | sing | 1.08Å | 1.08Å | |
| C56 | C58 | doub | 1.38Å | 1.39Å | Aromatic |
| C56 | H68 | sing | 1.08Å | 1.08Å | |
| C57 | C59 | doub | 1.38Å | 1.38Å | Aromatic |
| C57 | H69 | sing | 1.08Å | 1.08Å | |
| C58 | C59 | sing | 1.38Å | 1.38Å | Aromatic |
| C58 | H70 | sing | 1.08Å | 1.08Å | |
| C59 | H71 | sing | 1.08Å | 1.08Å | |
| O21 | C72 | sing | 1.43Å | 1.45Å | |
| O21 | C65 | sing | 1.43Å | 1.45Å | |
| C67 | C66 | sing | 1.53Å | 1.52Å | |
| C72 | C73 | sing | 1.53Å | 1.52Å | |
| C72 | C65 | sing | 1.53Å | 1.46Å | |
| C73 | C66 | sing | 1.53Å | 1.52Å | |
| C73 | O20 | sing | 1.45Å | 1.47Å | |
| C65 | C69 | sing | 1.51Å | 1.51Å | |
| C63 | C69 | doub | 1.38Å | 1.39Å | Aromatic |
| C63 | C70 | sing | 1.38Å | 1.38Å | Aromatic |
| C69 | C62 | sing | 1.40Å | 1.41Å | Aromatic |
| C70 | C64 | doub | 1.38Å | 1.38Å | Aromatic |
| O20 | C68 | sing | 1.35Å | 1.36Å | |
| C62 | C71 | doub | 1.40Å | 1.42Å | Aromatic |
| C62 | C74 | sing | 1.47Å | 1.41Å | |
| C64 | C71 | sing | 1.38Å | 1.38Å | Aromatic |
| C68 | N11 | sing | 1.35Å | 1.33Å | |
| C68 | O22 | doub | 1.21Å | 1.21Å | |
| C74 | C61 | doub | 1.35Å | 1.41Å | |
| O19 | C60 | doub | 1.22Å | 1.25Å | |
| C61 | C60 | sing | 1.46Å | 1.46Å | |
| C61 | H72 | sing | 1.08Å | 1.08Å | |
| C63 | H73 | sing | 1.08Å | 1.08Å | |
| C64 | H74 | sing | 1.08Å | 1.08Å | |
| C65 | H75 | sing | 1.09Å | 1.10Å | |
| C66 | H76 | sing | 1.09Å | 1.10Å | |
| C66 | H77 | sing | 1.09Å | 1.10Å | |
| C67 | H78 | sing | 1.09Å | 1.10Å | |
| C67 | H79 | sing | 1.09Å | 1.10Å | |
| C67 | H80 | sing | 1.09Å | 1.10Å | |
| C70 | H81 | sing | 1.08Å | 1.08Å | |
| C71 | H82 | sing | 1.08Å | 1.08Å | |
| C72 | H83 | sing | 1.09Å | 1.10Å | |
| C73 | H84 | sing | 1.09Å | 1.10Å | |
| C74 | H85 | sing | 1.08Å | 1.08Å | |
| N11 | H86 | sing | 0.97Å | 1.00Å | |
| N11 | H87 | sing | 0.97Å | 1.00Å | |
| C2 | N2 | sing | 1.36Å | 1.34Å | |
| O2 | C52 | sing | 1.34Å | 1.34Å | |
| C6 | N3 | sing | 1.36Å | 1.34Å | |
| C14 | N4 | sing | 1.36Å | 1.34Å | |
| C19 | N5 | sing | 1.36Å | 1.34Å | |
| C21 | N6 | sing | 1.35Å | 1.34Å | |
| C30 | N7 | sing | 1.36Å | 1.34Å | |
| C39 | N8 | sing | 1.37Å | 1.33Å | |
| C41 | N9 | sing | 1.36Å | 1.34Å | |
| C42 | N10 | sing | 1.36Å | 1.34Å | |
| N1 | C60 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 120.3° | 120.0° |
| N1 | C1 | C2 | 112.9° | 109.3° |
| N1 | C1 | C3 | 112.6° | 109.4° |
| N1 | C1 | H2 | 106.8° | 109.3° |
| C1 | N1 | C60 | 119.5° | 120.0° |
| H1 | N1 | C60 | 120.3° | 120.0° |
| C2 | C1 | C3 | 112.0° | 110.2° |
| C2 | C1 | H2 | 106.0° | 109.3° |
| C1 | C2 | O1 | 120.3° | 119.7° |
| C1 | C2 | N2 | 117.0° | 120.5° |
| C3 | C1 | H2 | 105.9° | 109.3° |
| C1 | C3 | O2 | 106.9° | 110.2° |
| C1 | C3 | C4 | 113.4° | 109.3° |
| C1 | C3 | H3 | 109.0° | 109.3° |
| O1 | C2 | N2 | 122.7° | 119.8° |
| O2 | C3 | C4 | 108.4° | 109.4° |
| O2 | C3 | H3 | 109.9° | 109.4° |
| C3 | O2 | C52 | 117.1° | 117.2° |
| C4 | C3 | H3 | 109.2° | 109.2° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H5 | 109.5° | 109.4° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H4 | C4 | H6 | 109.5° | 109.4° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| C5 | N2 | H7 | 120.2° | 122.1° |
| N2 | C5 | C6 | 114.5° | 108.3° |
| N2 | C5 | C7 | 112.5° | 109.7° |
| N2 | C5 | H8 | 107.5° | 109.7° |
| C5 | N2 | C2 | 119.6° | 115.7° |
| H7 | N2 | C2 | 120.2° | 122.2° |
| C6 | C5 | C7 | 108.9° | 109.7° |
| C6 | C5 | H8 | 106.3° | 109.7° |
| C5 | C6 | O3 | 120.5° | 119.7° |
| C5 | C6 | N3 | 116.5° | 120.6° |
| C7 | C5 | H8 | 106.7° | 109.7° |
| C5 | C7 | C8 | 120.4° | 119.9° |
| C5 | C7 | C12 | 121.0° | 119.9° |
| O3 | C6 | N3 | 123.0° | 119.7° |
| C8 | C7 | C12 | 118.4° | 120.1° |
| C7 | C8 | C9 | 121.1° | 120.0° |
| C7 | C8 | H9 | 119.4° | 120.0° |
| C7 | C12 | C11 | 121.1° | 120.1° |
| C7 | C12 | H13 | 119.5° | 120.0° |
| C9 | C8 | H9 | 119.5° | 120.0° |
| C8 | C9 | C10 | 119.9° | 119.9° |
| C8 | C9 | H10 | 120.1° | 120.0° |
| C10 | C9 | H10 | 120.1° | 120.1° |
| C9 | C10 | O4 | 119.8° | 120.0° |
| C9 | C10 | C11 | 119.7° | 119.9° |
| O4 | C10 | C11 | 120.5° | 120.0° |
| C10 | O4 | H11 | 109.5° | 114.0° |
| C10 | C11 | C12 | 119.9° | 119.9° |
| C10 | C11 | H12 | 120.1° | 120.0° |
| C12 | C11 | H12 | 120.1° | 120.1° |
| C11 | C12 | H13 | 119.4° | 120.0° |
| C13 | N3 | H14 | 119.7° | 122.0° |
| N3 | C13 | C14 | 112.3° | 109.2° |
| N3 | C13 | C15 | 111.5° | 109.5° |
| N3 | C13 | H15 | 108.3° | 109.5° |
| C13 | N3 | C6 | 120.7° | 116.0° |
| H14 | N3 | C6 | 119.7° | 122.0° |
| C14 | C13 | C15 | 109.7° | 109.5° |
| C14 | C13 | H15 | 107.4° | 109.5° |
| C13 | C14 | O5 | 120.3° | 119.8° |
| C13 | C14 | N4 | 117.0° | 120.4° |
| C15 | C13 | H15 | 107.4° | 109.6° |
| C13 | C15 | C16 | 114.7° | 109.5° |
| C13 | C15 | H16 | 108.1° | 109.5° |
| C13 | C15 | H17 | 108.1° | 109.5° |
| O5 | C14 | N4 | 122.7° | 119.8° |
| C16 | C15 | H16 | 108.1° | 109.4° |
| C16 | C15 | H17 | 108.1° | 109.5° |
| C15 | C16 | C17 | 114.8° | 109.4° |
| C15 | C16 | H18 | 108.1° | 109.5° |
| C15 | C16 | H19 | 108.1° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| C17 | C16 | H18 | 108.1° | 109.5° |
| C17 | C16 | H19 | 108.1° | 109.4° |
| C16 | C17 | O6 | 117.2° | 120.0° |
| C16 | C17 | O7 | 119.2° | 120.0° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| O6 | C17 | O7 | 123.6° | 120.0° |
| C17 | O7 | H20 | 109.5° | 117.0° |
| C18 | N4 | H21 | 119.2° | 122.6° |
| N4 | C18 | C19 | 116.2° | 110.0° |
| N4 | C18 | H22 | 107.7° | 109.4° |
| N4 | C18 | H23 | 107.8° | 109.4° |
| C18 | N4 | C14 | 121.5° | 114.7° |
| H21 | N4 | C14 | 119.2° | 122.6° |
| C19 | C18 | H22 | 107.8° | 109.4° |
| C19 | C18 | H23 | 107.8° | 109.3° |
| C18 | C19 | O8 | 120.4° | 119.9° |
| C18 | C19 | N5 | 116.8° | 120.2° |
| H22 | C18 | H23 | 109.5° | 109.3° |
| O8 | C19 | N5 | 122.8° | 119.9° |
| N5 | C20 | C21 | 109.8° | 110.2° |
| N5 | C20 | C22 | 110.3° | 109.4° |
| C20 | N5 | H24 | 118.9° | 121.9° |
| N5 | C20 | H25 | 111.0° | 109.3° |
| C20 | N5 | C19 | 122.2° | 116.1° |
| C21 | C20 | C22 | 105.9° | 109.4° |
| C21 | C20 | H25 | 110.0° | 109.4° |
| C20 | C21 | O10 | 120.0° | 120.0° |
| C20 | C21 | N6 | 118.6° | 120.0° |
| C20 | C22 | O9 | 110.0° | 109.5° |
| C20 | C22 | C23 | 111.1° | 109.5° |
| C22 | C20 | H25 | 109.7° | 109.2° |
| C20 | C22 | H26 | 107.2° | 109.4° |
| O9 | C22 | C23 | 112.1° | 109.5° |
| O9 | C22 | H26 | 108.7° | 109.4° |
| C22 | O9 | H27 | 109.5° | 114.0° |
| C22 | C23 | C24 | 120.7° | 120.0° |
| C22 | C23 | C28 | 120.6° | 120.0° |
| C23 | C22 | H26 | 107.5° | 109.5° |
| C24 | C23 | C28 | 118.6° | 120.0° |
| C23 | C24 | C25 | 120.6° | 120.0° |
| C23 | C24 | H28 | 119.7° | 120.0° |
| C23 | C28 | C27 | 120.7° | 120.1° |
| C23 | C28 | H29 | 119.6° | 119.9° |
| C24 | C25 | C26 | 120.2° | 120.0° |
| C25 | C24 | H28 | 119.7° | 120.0° |
| C24 | C25 | H30 | 119.9° | 120.0° |
| C25 | C26 | C27 | 119.7° | 120.0° |
| C26 | C25 | H30 | 119.9° | 120.0° |
| C25 | C26 | H31 | 120.2° | 120.0° |
| C26 | C27 | C28 | 120.2° | 120.0° |
| C27 | C26 | H31 | 120.2° | 120.0° |
| C26 | C27 | H32 | 119.9° | 120.0° |
| C27 | C28 | H29 | 119.7° | 120.0° |
| C28 | C27 | H32 | 119.9° | 120.0° |
| H24 | N5 | C19 | 118.9° | 122.0° |
| O10 | C21 | N6 | 121.4° | 120.0° |
| C29 | N6 | C33 | 111.7° | 108.5° |
| N6 | C29 | C30 | 110.2° | 111.5° |
| N6 | C29 | C31 | 103.3° | 107.3° |
| N6 | C29 | H33 | 110.8° | 108.7° |
| C29 | N6 | C21 | 120.8° | 125.8° |
| N6 | C33 | C32 | 102.3° | 107.8° |
| N6 | C33 | H38 | 111.2° | 109.8° |
| N6 | C33 | H39 | 111.2° | 109.8° |
| C33 | N6 | C21 | 127.4° | 125.6° |
| C30 | C29 | C31 | 112.9° | 111.4° |
| C30 | C29 | H33 | 109.9° | 109.2° |
| C29 | C30 | O11 | 121.5° | 119.6° |
| C29 | C30 | N7 | 115.4° | 120.8° |
| C31 | C29 | H33 | 109.7° | 108.6° |
| C29 | C31 | C32 | 103.6° | 104.3° |
| C29 | C31 | H34 | 110.9° | 110.5° |
| C29 | C31 | H35 | 110.9° | 110.4° |
| O11 | C30 | N7 | 123.1° | 119.6° |
| C32 | C31 | H34 | 110.9° | 110.5° |
| C32 | C31 | H35 | 110.9° | 110.5° |
| C31 | C32 | C33 | 102.7° | 106.4° |
| C31 | C32 | H36 | 111.2° | 110.0° |
| C31 | C32 | H37 | 111.1° | 110.1° |
| H34 | C31 | H35 | 109.5° | 110.5° |
| C33 | C32 | H36 | 111.1° | 110.2° |
| C33 | C32 | H37 | 111.1° | 110.1° |
| C32 | C33 | H38 | 111.2° | 109.9° |
| C32 | C33 | H39 | 111.2° | 109.8° |
| H36 | C32 | H37 | 109.5° | 110.0° |
| H38 | C33 | H39 | 109.5° | 109.8° |
| O12 | C34 | C36 | 109.4° | 109.5° |
| O12 | C34 | C35 | 107.6° | 109.5° |
| O12 | C34 | H40 | 109.5° | 109.5° |
| C34 | O12 | H49 | 109.5° | 114.0° |
| C37 | C36 | C34 | 111.9° | 109.5° |
| C37 | C36 | C38 | 110.1° | 109.5° |
| C37 | C36 | H42 | 107.9° | 109.4° |
| C36 | C37 | H43 | 109.5° | 109.5° |
| C36 | C37 | H44 | 109.5° | 109.5° |
| C36 | C37 | H45 | 109.4° | 109.4° |
| C34 | C36 | C38 | 111.0° | 109.5° |
| C36 | C34 | C35 | 114.2° | 109.5° |
| C36 | C34 | H40 | 108.2° | 109.5° |
| C34 | C36 | H42 | 107.8° | 109.5° |
| C38 | C36 | H42 | 107.9° | 109.5° |
| C36 | C38 | H46 | 109.5° | 109.5° |
| C36 | C38 | H47 | 109.5° | 109.5° |
| C36 | C38 | H48 | 109.4° | 109.5° |
| C34 | C35 | N7 | 108.7° | 109.1° |
| C34 | C35 | C39 | 112.6° | 109.1° |
| C35 | C34 | H40 | 108.0° | 109.5° |
| C34 | C35 | H41 | 107.3° | 109.1° |
| N7 | C35 | C39 | 112.3° | 111.5° |
| N7 | C35 | H41 | 108.4° | 109.0° |
| C35 | N7 | H50 | 118.6° | 121.3° |
| C35 | N7 | C30 | 122.7° | 117.3° |
| C35 | C39 | O13 | 120.3° | 120.6° |
| C39 | C35 | H41 | 107.4° | 109.0° |
| C35 | C39 | N8 | 116.7° | 118.7° |
| O13 | C39 | N8 | 123.0° | 120.7° |
| H43 | C37 | H44 | 109.5° | 109.5° |
| H43 | C37 | H45 | 109.5° | 109.6° |
| H44 | C37 | H45 | 109.5° | 109.4° |
| H46 | C38 | H47 | 109.4° | 109.4° |
| H46 | C38 | H48 | 109.5° | 109.5° |
| H47 | C38 | H48 | 109.5° | 109.5° |
| H50 | N7 | C30 | 118.7° | 121.4° |
| C40 | N8 | H51 | 119.0° | 122.0° |
| N8 | C40 | C41 | 116.5° | 108.4° |
| N8 | C40 | H52 | 107.7° | 109.7° |
| N8 | C40 | H53 | 107.7° | 109.6° |
| C40 | N8 | C39 | 122.0° | 116.0° |
| H51 | N8 | C39 | 119.0° | 122.0° |
| C41 | C40 | H52 | 107.7° | 109.7° |
| C41 | C40 | H53 | 107.7° | 109.7° |
| C40 | C41 | O14 | 121.2° | 119.7° |
| C40 | C41 | N9 | 116.5° | 120.7° |
| H52 | C40 | H53 | 109.5° | 109.7° |
| O14 | C41 | N9 | 122.2° | 119.6° |
| O17 | C46 | C50 | 118.5° | 120.1° |
| O17 | C46 | C49 | 121.7° | 120.1° |
| C46 | O17 | H58 | 109.5° | 114.0° |
| C46 | C50 | C48 | 119.9° | 119.9° |
| C50 | C46 | C49 | 119.7° | 119.9° |
| C46 | C50 | H62 | 120.0° | 120.0° |
| C50 | C48 | C45 | 121.2° | 120.1° |
| C50 | C48 | H60 | 119.4° | 119.9° |
| C48 | C50 | H62 | 120.1° | 120.0° |
| C46 | C49 | C47 | 119.8° | 120.0° |
| C46 | C49 | H61 | 120.1° | 120.0° |
| C48 | C45 | C47 | 118.4° | 120.2° |
| C48 | C45 | C44 | 120.4° | 119.9° |
| C45 | C48 | H60 | 119.4° | 120.0° |
| O15 | C42 | C43 | 120.6° | 119.4° |
| O15 | C42 | N10 | 123.0° | 119.3° |
| C49 | C47 | C45 | 121.1° | 120.0° |
| C49 | C47 | H59 | 119.4° | 120.0° |
| C47 | C49 | H61 | 120.1° | 120.0° |
| C47 | C45 | C44 | 121.1° | 119.9° |
| C45 | C47 | H59 | 119.5° | 120.0° |
| C45 | C44 | C43 | 112.0° | 109.4° |
| C45 | C44 | O16 | 111.0° | 109.5° |
| C45 | C44 | H56 | 108.8° | 109.5° |
| C42 | C43 | N9 | 111.8° | 108.2° |
| C42 | C43 | C44 | 107.8° | 109.7° |
| C42 | C43 | H55 | 108.5° | 109.7° |
| C43 | C42 | N10 | 116.4° | 121.3° |
| N9 | C43 | C44 | 110.8° | 109.7° |
| C43 | N9 | H54 | 119.7° | 121.9° |
| N9 | C43 | H55 | 109.5° | 109.7° |
| C43 | N9 | C41 | 120.7° | 116.4° |
| C43 | C44 | O16 | 106.5° | 109.4° |
| C44 | C43 | H55 | 108.3° | 109.7° |
| C43 | C44 | H56 | 108.4° | 109.5° |
| O16 | C44 | H56 | 110.0° | 109.5° |
| C44 | O16 | H57 | 109.5° | 114.0° |
| H54 | N9 | C41 | 119.7° | 121.8° |
| C51 | N10 | H63 | 119.6° | 122.6° |
| N10 | C51 | C52 | 111.8° | 108.6° |
| N10 | C51 | C53 | 110.8° | 109.6° |
| N10 | C51 | H64 | 108.1° | 109.6° |
| C51 | N10 | C42 | 120.8° | 114.9° |
| H63 | N10 | C42 | 119.6° | 122.5° |
| C52 | C51 | C53 | 111.6° | 109.6° |
| C52 | C51 | H64 | 107.3° | 109.6° |
| C51 | C52 | O18 | 125.1° | 119.6° |
| C51 | C52 | O2 | 110.6° | 120.8° |
| C53 | C51 | H64 | 107.1° | 109.7° |
| C51 | C53 | C54 | 113.3° | 109.5° |
| C51 | C53 | H65 | 108.5° | 109.5° |
| C51 | C53 | H66 | 108.5° | 109.4° |
| O18 | C52 | O2 | 124.3° | 119.6° |
| C54 | C53 | H65 | 108.5° | 109.5° |
| C54 | C53 | H66 | 108.5° | 109.5° |
| C53 | C54 | C55 | 120.7° | 120.0° |
| C53 | C54 | C56 | 120.7° | 120.0° |
| H65 | C53 | H66 | 109.5° | 109.5° |
| C55 | C54 | C56 | 118.6° | 120.0° |
| C54 | C55 | C57 | 120.7° | 120.0° |
| C54 | C55 | H67 | 119.7° | 120.0° |
| C54 | C56 | C58 | 120.7° | 120.0° |
| C54 | C56 | H68 | 119.7° | 119.9° |
| C57 | C55 | H67 | 119.7° | 119.9° |
| C55 | C57 | C59 | 120.2° | 120.0° |
| C55 | C57 | H69 | 119.9° | 120.0° |
| C58 | C56 | H68 | 119.7° | 120.0° |
| C56 | C58 | C59 | 120.2° | 120.0° |
| C56 | C58 | H70 | 119.9° | 120.0° |
| C59 | C57 | H69 | 119.9° | 120.0° |
| C57 | C59 | C58 | 119.7° | 120.0° |
| C57 | C59 | H71 | 120.1° | 120.0° |
| C59 | C58 | H70 | 119.9° | 120.0° |
| C58 | C59 | H71 | 120.2° | 120.0° |
| C72 | O21 | C65 | 60.5° | 64.7° |
| O21 | C72 | C73 | 116.5° | 117.8° |
| O21 | C72 | C65 | 59.8° | 57.6° |
| O21 | C72 | H83 | 116.6° | 117.8° |
| O21 | C65 | C72 | 59.7° | 57.7° |
| O21 | C65 | C69 | 116.3° | 117.7° |
| O21 | C65 | H75 | 115.9° | 117.8° |
| C67 | C66 | C73 | 112.2° | 109.5° |
| C67 | C66 | H76 | 108.8° | 109.5° |
| C67 | C66 | H77 | 108.8° | 109.4° |
| C66 | C67 | H78 | 109.5° | 109.5° |
| C66 | C67 | H79 | 109.5° | 109.5° |
| C66 | C67 | H80 | 109.5° | 109.5° |
| C73 | C72 | C65 | 121.1° | 117.8° |
| C72 | C73 | C66 | 114.3° | 109.5° |
| C72 | C73 | O20 | 107.6° | 109.5° |
| C73 | C72 | H83 | 115.2° | 115.7° |
| C72 | C73 | H84 | 108.3° | 109.5° |
| C72 | C65 | C69 | 123.1° | 117.8° |
| C72 | C65 | H75 | 115.7° | 117.8° |
| C65 | C72 | H83 | 116.3° | 117.7° |
| C66 | C73 | O20 | 109.3° | 109.5° |
| C73 | C66 | H76 | 108.8° | 109.5° |
| C73 | C66 | H77 | 108.8° | 109.5° |
| C66 | C73 | H84 | 108.3° | 109.5° |
| C73 | O20 | C68 | 120.9° | 117.0° |
| O20 | C73 | H84 | 108.9° | 109.4° |
| C65 | C69 | C63 | 120.5° | 120.1° |
| C65 | C69 | C62 | 120.2° | 120.1° |
| C69 | C65 | H75 | 114.7° | 115.7° |
| C69 | C63 | C70 | 120.9° | 120.2° |
| C63 | C69 | C62 | 119.3° | 119.8° |
| C69 | C63 | H73 | 119.5° | 119.9° |
| C63 | C70 | C64 | 120.3° | 120.3° |
| C70 | C63 | H73 | 119.5° | 119.9° |
| C63 | C70 | H81 | 119.8° | 119.9° |
| C69 | C62 | C71 | 119.1° | 119.7° |
| C69 | C62 | C74 | 121.0° | 120.1° |
| C70 | C64 | C71 | 120.2° | 120.1° |
| C70 | C64 | H74 | 119.9° | 119.9° |
| C64 | C70 | H81 | 119.9° | 119.8° |
| O20 | C68 | N11 | 111.6° | 120.0° |
| O20 | C68 | O22 | 123.0° | 120.0° |
| C71 | C62 | C74 | 119.9° | 120.2° |
| C62 | C71 | C64 | 120.2° | 119.8° |
| C62 | C71 | H82 | 119.9° | 120.1° |
| C62 | C74 | C61 | 128.2° | 120.0° |
| C62 | C74 | H85 | 115.9° | 120.0° |
| C71 | C64 | H74 | 119.9° | 119.9° |
| C64 | C71 | H82 | 119.9° | 120.1° |
| N11 | C68 | O22 | 125.3° | 120.0° |
| C68 | N11 | H86 | 120.0° | 120.0° |
| C68 | N11 | H87 | 120.0° | 120.0° |
| C74 | C61 | C60 | 118.4° | 120.0° |
| C74 | C61 | H72 | 120.8° | 120.0° |
| C61 | C74 | H85 | 116.0° | 120.0° |
| O19 | C60 | C61 | 122.7° | 120.0° |
| O19 | C60 | N1 | 122.3° | 120.0° |
| C60 | C61 | H72 | 120.8° | 120.1° |
| C61 | C60 | N1 | 114.9° | 120.0° |
| H76 | C66 | H77 | 109.4° | 109.5° |
| H78 | C67 | H79 | 109.5° | 109.5° |
| H78 | C67 | H80 | 109.5° | 109.4° |
| H79 | C67 | H80 | 109.5° | 109.5° |
| H86 | N11 | H87 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C60 | 180.0° | 179.7° |
| N1 | C1 | C2 | C3 | 128.4° | 120.2° |
| N1 | C1 | C2 | H2 | 116.6° | 119.7° |
| N1 | C1 | C3 | H2 | 116.4° | 119.7° |
| N1 | C1 | C2 | O1 | 143.5° | 62.1° |
| N1 | C1 | C3 | O2 | 50.1° | 10.7° |
| N1 | C1 | C3 | C4 | 69.3° | 109.5° |
| N1 | C1 | C3 | H3 | 168.8° | 131.0° |
| C1 | N1 | C60 | O19 | 3.8° | 11.1° |
| C1 | N1 | C60 | C61 | 177.7° | 168.8° |
| N1 | C1 | C2 | N2 | 35.2° | 117.9° |
| H1 | N1 | C1 | C2 | 124.6° | 126.6° |
| H1 | N1 | C1 | C3 | 3.5° | 112.7° |
| H1 | N1 | C1 | H2 | 119.3° | 7.0° |
| H1 | N1 | C60 | O19 | 176.1° | 168.5° |
| H1 | N1 | C60 | C61 | 2.4° | 11.5° |
| C2 | C1 | C3 | H2 | 115.1° | 120.2° |
| C1 | C2 | O1 | N2 | 178.6° | 180.0° |
| C2 | C1 | C3 | O2 | 78.4° | 109.5° |
| C2 | C1 | C3 | C4 | 162.2° | 130.3° |
| C2 | C1 | C3 | H3 | 40.3° | 10.8° |
| C1 | C2 | N2 | C5 | 177.7° | 176.5° |
| C1 | C2 | N2 | H7 | 2.4° | 3.6° |
| C2 | C1 | N1 | C60 | 55.4° | 53.7° |
| C3 | C1 | C2 | O1 | 88.1° | 58.1° |
| C1 | C3 | O2 | C4 | 122.6° | 120.2° |
| C1 | C3 | O2 | H3 | 118.1° | 120.2° |
| C1 | C3 | C4 | H3 | 121.7° | 119.5° |
| C1 | C3 | C4 | H4 | 180.0° | 36.5° |
| C1 | C3 | C4 | H5 | 60.0° | 156.5° |
| C1 | C3 | C4 | H6 | 60.0° | 83.5° |
| C3 | C1 | C2 | N2 | 93.2° | 121.9° |
| C1 | C3 | O2 | C52 | 93.0° | 92.6° |
| C3 | C1 | N1 | C60 | 176.5° | 67.0° |
| H2 | C1 | C2 | O1 | 26.9° | 178.3° |
| H2 | C1 | C3 | O2 | 166.5° | 130.4° |
| H2 | C1 | C3 | C4 | 47.1° | 10.1° |
| H2 | C1 | C3 | H3 | 74.8° | 109.3° |
| H2 | C1 | C2 | N2 | 151.8° | 1.7° |
| H2 | C1 | N1 | C60 | 60.7° | 173.4° |
| O1 | C2 | N2 | C5 | 3.7° | 3.5° |
| O1 | C2 | N2 | H7 | 176.3° | 176.4° |
| O2 | C3 | C4 | H3 | 119.8° | 119.7° |
| O2 | C3 | C4 | H4 | 61.5° | 84.2° |
| O2 | C3 | C4 | H5 | 178.5° | 35.8° |
| O2 | C3 | C4 | H6 | 58.5° | 155.8° |
| C3 | O2 | C52 | C51 | 153.4° | 179.9° |
| C3 | O2 | C52 | O18 | 23.9° | 0.1° |
| C3 | C4 | H4 | H5 | 120.0° | 120.0° |
| C3 | C4 | H4 | H6 | 120.0° | 120.0° |
| C3 | C4 | H5 | H6 | 120.0° | 120.0° |
| C4 | C3 | O2 | C52 | 144.5° | 27.6° |
| H3 | C3 | C4 | H4 | 58.3° | 156.0° |
| H3 | C3 | C4 | H5 | 61.7° | 83.9° |
| H3 | C3 | C4 | H6 | 178.3° | 36.1° |
| H3 | C3 | O2 | C52 | 25.1° | 147.2° |
| H4 | C4 | H5 | H6 | 120.0° | 120.0° |
| C5 | N2 | H7 | C2 | 180.0° | 179.9° |
| N2 | C5 | C6 | C7 | 126.9° | 119.7° |
| N2 | C5 | C6 | H8 | 118.5° | 119.7° |
| N2 | C5 | C7 | H8 | 117.6° | 120.6° |
| N2 | C5 | C6 | O3 | 179.8° | 75.6° |
| N2 | C5 | C7 | C8 | 74.5° | 64.5° |
| N2 | C5 | C7 | C12 | 110.4° | 115.8° |
| N2 | C5 | C6 | N3 | 2.7° | 104.5° |
| H7 | N2 | C5 | C6 | 90.6° | 51.8° |
| H7 | N2 | C5 | C7 | 34.4° | 171.5° |
| H7 | N2 | C5 | H8 | 151.6° | 67.9° |
| C6 | C5 | C7 | H8 | 114.4° | 120.6° |
| C5 | C6 | O3 | N3 | 177.3° | 179.9° |
| C6 | C5 | C7 | C8 | 53.5° | 54.3° |
| C6 | C5 | C7 | C12 | 121.5° | 125.4° |
| C5 | C6 | N3 | C13 | 155.1° | 177.0° |
| C5 | C6 | N3 | H14 | 24.9° | 2.9° |
| C6 | C5 | N2 | C2 | 89.4° | 128.3° |
| C7 | C5 | C6 | O3 | 52.9° | 164.8° |
| C5 | C7 | C8 | C12 | 175.2° | 179.7° |
| C5 | C7 | C8 | C9 | 174.8° | 179.9° |
| C5 | C7 | C8 | H9 | 5.2° | 0.0° |
| C5 | C7 | C12 | C11 | 174.8° | 179.7° |
| C5 | C7 | C12 | H13 | 5.2° | 0.0° |
| C7 | C5 | N2 | C2 | 145.6° | 8.6° |
| C7 | C5 | C6 | N3 | 129.6° | 15.1° |
| H8 | C5 | C6 | O3 | 61.7° | 44.1° |
| H8 | C5 | C7 | C8 | 167.9° | 174.9° |
| H8 | C5 | C7 | C12 | 7.2° | 4.8° |
| H8 | C5 | N2 | C2 | 28.5° | 112.0° |
| H8 | C5 | C6 | N3 | 115.8° | 135.8° |
| O3 | C6 | N3 | C13 | 22.4° | 3.1° |
| O3 | C6 | N3 | H14 | 157.6° | 177.0° |
| C7 | C8 | C9 | H9 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.1° | 0.1° |
| C7 | C8 | C9 | H10 | 179.8° | 179.9° |
| C8 | C7 | C12 | C11 | 0.4° | 0.6° |
| C8 | C7 | C12 | H13 | 179.6° | 179.7° |
| C12 | C7 | C8 | C9 | 0.3° | 0.3° |
| C12 | C7 | C8 | H9 | 179.7° | 179.8° |
| C7 | C12 | C11 | C10 | 0.2° | 0.5° |
| C7 | C12 | C11 | H13 | 180.0° | 179.7° |
| C7 | C12 | C11 | H12 | 179.8° | 179.7° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| C8 | C9 | C10 | O4 | 178.3° | 180.0° |
| C8 | C9 | C10 | C11 | 0.0° | 0.1° |
| H9 | C8 | C9 | C10 | 179.9° | 180.0° |
| H9 | C8 | C9 | H10 | 0.2° | 0.0° |
| C9 | C10 | O4 | C11 | 178.3° | 180.0° |
| C9 | C10 | O4 | H11 | 180.0° | 90.0° |
| C9 | C10 | C11 | C12 | 0.0° | 0.3° |
| C9 | C10 | C11 | H12 | 180.0° | 179.9° |
| H10 | C9 | C10 | O4 | 1.7° | 0.0° |
| H10 | C9 | C10 | C11 | 180.0° | 180.0° |
| O4 | C10 | C11 | C12 | 178.3° | 179.8° |
| O4 | C10 | C11 | H12 | 1.7° | 0.0° |
| C11 | C10 | O4 | H11 | 1.7° | 90.0° |
| C10 | C11 | C12 | H12 | 180.0° | 179.8° |
| C10 | C11 | C12 | H13 | 179.8° | 179.8° |
| H12 | C11 | C12 | H13 | 0.2° | 0.0° |
| C13 | N3 | H14 | C6 | 180.0° | 180.0° |
| N3 | C13 | C14 | C15 | 124.6° | 119.9° |
| N3 | C13 | C14 | H15 | 119.0° | 119.9° |
| N3 | C13 | C15 | H15 | 118.5° | 120.1° |
| N3 | C13 | C14 | O5 | 164.2° | 56.7° |
| N3 | C13 | C15 | C16 | 51.1° | 173.2° |
| N3 | C13 | C15 | H16 | 69.7° | 53.2° |
| N3 | C13 | C15 | H17 | 171.8° | 66.8° |
| N3 | C13 | C14 | N4 | 15.0° | 123.3° |
| H14 | N3 | C13 | C14 | 68.7° | 3.8° |
| H14 | N3 | C13 | C15 | 54.9° | 116.1° |
| H14 | N3 | C13 | H15 | 172.9° | 123.7° |
| C14 | C13 | C15 | H15 | 116.4° | 120.2° |
| C13 | C14 | O5 | N4 | 179.2° | 180.0° |
| C14 | C13 | C15 | C16 | 176.1° | 67.1° |
| C14 | C13 | C15 | H16 | 55.3° | 172.9° |
| C14 | C13 | C15 | H17 | 63.1° | 52.9° |
| C13 | C14 | N4 | C18 | 166.2° | 176.0° |
| C13 | C14 | N4 | H21 | 13.9° | 4.0° |
| C14 | C13 | N3 | C6 | 111.3° | 176.2° |
| C15 | C13 | C14 | O5 | 39.6° | 63.2° |
| C13 | C15 | C16 | H16 | 120.8° | 120.0° |
| C13 | C15 | C16 | H17 | 120.8° | 120.0° |
| C13 | C15 | H16 | H17 | 117.6° | 120.1° |
| C13 | C15 | C16 | C17 | 63.1° | 175.0° |
| C13 | C15 | C16 | H18 | 57.6° | 55.1° |
| C13 | C15 | C16 | H19 | 176.1° | 65.0° |
| C15 | C13 | N3 | C6 | 125.1° | 63.9° |
| C15 | C13 | C14 | N4 | 139.6° | 116.8° |
| H15 | C13 | C14 | O5 | 76.8° | 176.6° |
| H15 | C13 | C15 | C16 | 67.5° | 53.1° |
| H15 | C13 | C15 | H16 | 171.8° | 66.9° |
| H15 | C13 | C15 | H17 | 53.3° | 173.1° |
| H15 | C13 | N3 | C6 | 7.1° | 56.2° |
| H15 | C13 | C14 | N4 | 104.0° | 3.4° |
| O5 | C14 | N4 | C18 | 14.7° | 4.0° |
| O5 | C14 | N4 | H21 | 165.3° | 176.0° |
| C16 | C15 | H16 | H17 | 117.6° | 120.0° |
| C15 | C16 | C17 | H18 | 120.8° | 120.0° |
| C15 | C16 | C17 | H19 | 120.8° | 120.0° |
| C15 | C16 | H18 | H19 | 117.6° | 120.0° |
| C15 | C16 | C17 | O6 | 39.3° | 0.0° |
| C15 | C16 | C17 | O7 | 140.3° | 180.0° |
| H16 | C15 | C16 | C17 | 176.1° | 64.9° |
| H16 | C15 | C16 | H18 | 63.1° | 175.1° |
| H16 | C15 | C16 | H19 | 55.3° | 55.0° |
| H17 | C15 | C16 | C17 | 57.6° | 55.0° |
| H17 | C15 | C16 | H18 | 178.4° | 65.0° |
| H17 | C15 | C16 | H19 | 63.2° | 175.0° |
| C17 | C16 | H18 | H19 | 117.6° | 120.0° |
| C16 | C17 | O6 | O7 | 179.6° | 180.0° |
| C16 | C17 | O7 | H20 | 179.6° | 180.0° |
| H18 | C16 | C17 | O6 | 160.1° | 120.0° |
| H18 | C16 | C17 | O7 | 19.5° | 60.0° |
| H19 | C16 | C17 | O6 | 81.4° | 120.0° |
| H19 | C16 | C17 | O7 | 99.0° | 60.1° |
| O6 | C17 | O7 | H20 | 0.0° | 0.1° |
| C18 | N4 | H21 | C14 | 180.0° | 180.0° |
| N4 | C18 | C19 | H22 | 121.0° | 120.2° |
| N4 | C18 | C19 | H23 | 121.0° | 120.2° |
| N4 | C18 | H22 | H23 | 116.9° | 119.7° |
| N4 | C18 | C19 | O8 | 159.4° | 45.4° |
| N4 | C18 | C19 | N5 | 21.9° | 134.6° |
| H21 | N4 | C18 | C19 | 84.0° | 0.9° |
| H21 | N4 | C18 | H22 | 36.9° | 119.3° |
| H21 | N4 | C18 | H23 | 155.0° | 121.0° |
| C19 | C18 | H22 | H23 | 116.9° | 119.7° |
| C18 | C19 | O8 | N5 | 178.6° | 180.0° |
| C18 | C19 | N5 | C20 | 179.6° | 176.3° |
| C18 | C19 | N5 | H24 | 0.4° | 3.6° |
| C19 | C18 | N4 | C14 | 95.9° | 179.1° |
| H22 | C18 | C19 | O8 | 79.7° | 74.8° |
| H22 | C18 | N4 | C14 | 143.1° | 60.7° |
| H22 | C18 | C19 | N5 | 99.0° | 105.2° |
| H23 | C18 | C19 | O8 | 38.4° | 165.5° |
| H23 | C18 | N4 | C14 | 25.0° | 58.9° |
| H23 | C18 | C19 | N5 | 142.9° | 14.5° |
| O8 | C19 | N5 | C20 | 1.8° | 3.8° |
| O8 | C19 | N5 | H24 | 178.2° | 176.3° |
| N5 | C20 | C21 | C22 | 119.0° | 120.3° |
| N5 | C20 | C21 | H25 | 122.5° | 120.2° |
| N5 | C20 | C22 | H25 | 122.6° | 119.5° |
| N5 | C20 | C22 | O9 | 176.0° | 179.1° |
| N5 | C20 | C22 | C23 | 59.3° | 59.1° |
| C20 | N5 | H24 | C19 | 180.0° | 179.9° |
| N5 | C20 | C21 | O10 | 41.8° | 58.6° |
| N5 | C20 | C22 | H26 | 57.9° | 60.9° |
| N5 | C20 | C21 | N6 | 139.6° | 121.4° |
| C21 | C20 | C22 | H25 | 118.7° | 119.6° |
| C21 | C20 | C22 | O9 | 57.3° | 60.1° |
| C21 | C20 | C22 | C23 | 178.0° | 179.9° |
| C21 | C20 | N5 | H24 | 56.5° | 45.5° |
| C20 | C21 | O10 | N6 | 178.5° | 180.0° |
| C21 | C20 | C22 | H26 | 60.8° | 59.9° |
| C20 | C21 | N6 | C29 | 164.1° | 169.6° |
| C20 | C21 | N6 | C33 | 13.5° | 11.5° |
| C21 | C20 | N5 | C19 | 123.5° | 134.6° |
| C20 | C22 | O9 | C23 | 124.1° | 120.1° |
| C20 | C22 | O9 | H26 | 117.1° | 119.9° |
| C20 | C22 | C23 | H26 | 117.0° | 120.0° |
| C20 | C22 | C23 | C24 | 72.9° | 100.0° |
| C20 | C22 | C23 | C28 | 103.0° | 80.3° |
| C22 | C20 | N5 | H24 | 59.8° | 74.8° |
| C22 | C20 | C21 | O10 | 77.2° | 178.9° |
| C20 | C22 | O9 | H27 | 67.1° | 60.0° |
| C22 | C20 | N5 | C19 | 120.2° | 105.1° |
| C22 | C20 | C21 | N6 | 101.3° | 1.1° |
| O9 | C22 | C23 | H26 | 119.5° | 120.0° |
| O9 | C22 | C23 | C24 | 50.7° | 140.0° |
| O9 | C22 | C23 | C28 | 133.4° | 39.8° |
| O9 | C22 | C20 | H25 | 61.4° | 59.6° |
| C22 | C23 | C24 | C28 | 175.9° | 179.8° |
| C22 | C23 | C24 | C25 | 175.9° | 180.0° |
| C22 | C23 | C28 | C27 | 175.9° | 179.8° |
| C23 | C22 | C20 | H25 | 63.3° | 60.4° |
| C23 | C22 | O9 | H27 | 168.7° | 60.1° |
| C22 | C23 | C24 | H28 | 4.1° | 0.0° |
| C22 | C23 | C28 | H29 | 4.1° | 0.1° |
| C23 | C24 | C25 | H28 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.0° |
| C24 | C23 | C28 | C27 | 0.0° | 0.5° |
| C24 | C23 | C22 | H26 | 170.2° | 20.0° |
| C24 | C23 | C28 | H29 | 180.0° | 179.7° |
| C23 | C24 | C25 | H30 | 180.0° | 180.0° |
| C28 | C23 | C24 | C25 | 0.1° | 0.3° |
| C23 | C28 | C27 | C26 | 0.0° | 0.4° |
| C23 | C28 | C27 | H29 | 180.0° | 179.8° |
| C28 | C23 | C22 | H26 | 14.0° | 159.8° |
| C28 | C23 | C24 | H28 | 179.9° | 179.8° |
| C23 | C28 | C27 | H32 | 180.0° | 179.7° |
| C24 | C25 | C26 | H30 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.0° |
| C24 | C25 | C26 | H31 | 180.0° | 180.0° |
| C25 | C26 | C27 | H31 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.0° | 0.2° |
| C26 | C25 | C24 | H28 | 179.9° | 180.0° |
| C25 | C26 | C27 | H32 | 180.0° | 180.0° |
| C26 | C27 | C28 | H32 | 180.0° | 179.8° |
| C26 | C27 | C28 | H29 | 180.0° | 179.7° |
| C27 | C26 | C25 | H30 | 180.0° | 180.0° |
| C28 | C27 | C26 | H31 | 180.0° | 179.8° |
| H24 | N5 | C20 | H25 | 178.4° | 165.7° |
| H25 | C20 | C21 | O10 | 164.3° | 61.5° |
| H25 | C20 | C22 | H26 | 179.5° | 179.5° |
| H25 | C20 | N5 | C19 | 1.6° | 14.4° |
| H25 | C20 | C21 | N6 | 17.1° | 118.5° |
| O10 | C21 | N6 | C29 | 14.4° | 10.3° |
| O10 | C21 | N6 | C33 | 168.0° | 168.6° |
| H26 | C22 | O9 | H27 | 50.0° | 179.9° |
| H28 | C24 | C25 | H30 | 0.1° | 0.0° |
| H29 | C28 | C27 | H32 | 0.0° | 0.1° |
| H30 | C25 | C26 | H31 | 0.0° | 0.0° |
| H31 | C26 | C27 | H32 | 0.0° | 0.0° |
| C29 | N6 | C33 | C21 | 177.8° | 179.1° |
| N6 | C29 | C30 | C31 | 114.9° | 119.9° |
| N6 | C29 | C30 | H33 | 122.4° | 120.1° |
| N6 | C29 | C31 | H33 | 118.1° | 117.3° |
| N6 | C29 | C30 | O11 | 16.8° | 23.4° |
| N6 | C29 | C31 | C32 | 25.2° | 23.5° |
| N6 | C29 | C31 | H34 | 144.2° | 95.2° |
| N6 | C29 | C31 | H35 | 93.9° | 142.3° |
| C29 | N6 | C33 | C32 | 23.0° | 14.1° |
| C29 | N6 | C33 | H38 | 95.8° | 105.5° |
| C29 | N6 | C33 | H39 | 141.8° | 133.6° |
| N6 | C29 | C30 | N7 | 159.9° | 156.6° |
| C33 | N6 | C29 | C30 | 119.5° | 146.0° |
| C33 | N6 | C29 | C31 | 1.3° | 23.8° |
| C33 | N6 | C29 | H33 | 118.6° | 93.5° |
| N6 | C33 | C32 | C31 | 37.9° | 1.0° |
| N6 | C33 | C32 | H38 | 118.8° | 119.6° |
| N6 | C33 | C32 | H39 | 118.8° | 119.5° |
| N6 | C33 | C32 | H36 | 81.1° | 120.2° |
| N6 | C33 | C32 | H37 | 156.8° | 118.3° |
| N6 | C33 | H38 | H39 | 123.4° | 120.8° |
| C30 | C29 | C31 | H33 | 122.9° | 120.4° |
| C29 | C30 | O11 | N7 | 176.5° | 180.0° |
| C30 | C29 | C31 | C32 | 93.8° | 145.9° |
| C30 | C29 | C31 | H34 | 25.2° | 27.1° |
| C30 | C29 | C31 | H35 | 147.1° | 95.4° |
| C29 | C30 | N7 | C35 | 179.0° | 154.0° |
| C29 | C30 | N7 | H50 | 1.0° | 26.1° |
| C30 | C29 | N6 | C21 | 58.4° | 33.0° |
| C31 | C29 | C30 | O11 | 98.0° | 143.3° |
| C29 | C31 | C32 | H34 | 119.0° | 118.7° |
| C29 | C31 | C32 | H35 | 119.1° | 118.7° |
| C29 | C31 | H34 | H35 | 122.7° | 122.5° |
| C29 | C31 | C32 | C33 | 39.3° | 14.6° |
| C29 | C31 | C32 | H36 | 79.6° | 134.0° |
| C29 | C31 | C32 | H37 | 158.2° | 104.6° |
| C31 | C29 | N6 | C21 | 179.2° | 155.3° |
| C31 | C29 | C30 | N7 | 85.2° | 36.7° |
| H33 | C29 | C30 | O11 | 139.2° | 96.8° |
| H33 | C29 | C31 | C32 | 143.3° | 93.8° |
| H33 | C29 | C31 | H34 | 97.7° | 147.5° |
| H33 | C29 | C31 | H35 | 24.2° | 25.0° |
| H33 | C29 | N6 | C21 | 63.4° | 87.5° |
| H33 | C29 | C30 | N7 | 37.6° | 83.3° |
| O11 | C30 | N7 | C35 | 4.3° | 26.1° |
| O11 | C30 | N7 | H50 | 175.7° | 153.9° |
| C32 | C31 | H34 | H35 | 122.7° | 122.6° |
| C31 | C32 | C33 | H36 | 118.9° | 119.2° |
| C31 | C32 | C33 | H37 | 118.9° | 119.2° |
| C31 | C32 | H36 | H37 | 123.1° | 121.4° |
| C31 | C32 | C33 | H38 | 80.9° | 120.6° |
| C31 | C32 | C33 | H39 | 156.7° | 118.6° |
| H34 | C31 | C32 | C33 | 158.4° | 104.1° |
| H34 | C31 | C32 | H36 | 39.5° | 15.3° |
| H34 | C31 | C32 | H37 | 82.7° | 136.7° |
| H35 | C31 | C32 | C33 | 79.8° | 133.3° |
| H35 | C31 | C32 | H36 | 161.3° | 107.3° |
| H35 | C31 | C32 | H37 | 39.1° | 14.1° |
| C33 | C32 | H36 | H37 | 123.1° | 121.5° |
| C32 | C33 | H38 | H39 | 123.4° | 120.8° |
| C32 | C33 | N6 | C21 | 154.8° | 164.9° |
| H36 | C32 | C33 | H38 | 160.1° | 120.2° |
| H36 | C32 | C33 | H39 | 37.8° | 0.7° |
| H37 | C32 | C33 | H38 | 38.0° | 1.3° |
| H37 | C32 | C33 | H39 | 84.4° | 122.2° |
| H38 | C33 | N6 | C21 | 86.4° | 75.4° |
| H39 | C33 | N6 | C21 | 36.0° | 45.4° |
| O12 | C34 | C36 | C37 | 170.7° | 179.8° |
| O12 | C34 | C36 | C35 | 120.6° | 120.0° |
| O12 | C34 | C36 | H40 | 119.2° | 120.0° |
| O12 | C34 | C36 | C38 | 65.8° | 59.8° |
| O12 | C34 | C35 | H40 | 118.1° | 120.1° |
| O12 | C34 | C35 | N7 | 51.5° | 74.9° |
| O12 | C34 | C35 | C39 | 73.5° | 47.2° |
| O12 | C34 | C35 | H41 | 168.5° | 166.1° |
| O12 | C34 | C36 | H42 | 52.3° | 60.3° |
| C37 | C36 | C34 | C38 | 123.5° | 120.0° |
| C37 | C36 | C34 | H42 | 118.5° | 120.0° |
| C37 | C36 | C38 | H42 | 117.5° | 119.9° |
| C37 | C36 | C34 | C35 | 50.1° | 60.3° |
| C37 | C36 | C34 | H40 | 70.1° | 59.7° |
| C36 | C37 | H43 | H44 | 120.0° | 120.0° |
| C36 | C37 | H43 | H45 | 120.0° | 120.0° |
| C36 | C37 | H44 | H45 | 120.0° | 119.9° |
| C37 | C36 | C38 | H46 | 180.0° | 55.3° |
| C37 | C36 | C38 | H47 | 60.0° | 175.2° |
| C37 | C36 | C38 | H48 | 60.0° | 64.8° |
| C34 | C36 | C38 | H42 | 118.0° | 120.0° |
| C36 | C34 | C35 | H40 | 120.3° | 120.0° |
| C36 | C34 | C35 | N7 | 70.1° | 45.1° |
| C36 | C34 | C35 | C39 | 164.9° | 167.1° |
| C36 | C34 | C35 | H41 | 46.9° | 73.9° |
| C34 | C36 | C37 | H43 | 180.0° | 175.0° |
| C34 | C36 | C37 | H44 | 60.0° | 55.0° |
| C34 | C36 | C37 | H45 | 60.0° | 64.9° |
| C34 | C36 | C38 | H46 | 55.5° | 64.8° |
| C34 | C36 | C38 | H47 | 175.5° | 55.1° |
| C34 | C36 | C38 | H48 | 64.5° | 175.2° |
| C36 | C34 | O12 | H49 | 180.0° | 17.3° |
| C38 | C36 | C34 | C35 | 173.6° | 179.7° |
| C38 | C36 | C34 | H40 | 53.4° | 60.3° |
| C38 | C36 | C37 | H43 | 56.0° | 64.9° |
| C38 | C36 | C37 | H44 | 176.0° | 175.0° |
| C38 | C36 | C37 | H45 | 64.0° | 55.1° |
| C36 | C38 | H46 | H47 | 120.0° | 119.9° |
| C36 | C38 | H46 | H48 | 120.0° | 120.0° |
| C36 | C38 | H47 | H48 | 120.0° | 120.0° |
| C34 | C35 | N7 | C39 | 125.3° | 120.5° |
| C34 | C35 | N7 | H41 | 116.3° | 119.0° |
| C34 | C35 | C39 | H41 | 117.9° | 119.0° |
| C34 | C35 | C39 | O13 | 90.0° | 126.1° |
| C35 | C34 | C36 | H42 | 68.4° | 59.7° |
| C35 | C34 | O12 | H49 | 55.4° | 137.2° |
| C34 | C35 | N7 | H50 | 61.0° | 165.8° |
| C34 | C35 | N7 | C30 | 119.0° | 14.3° |
| C34 | C35 | C39 | N8 | 90.8° | 54.0° |
| N7 | C35 | C39 | H41 | 119.0° | 120.4° |
| N7 | C35 | C39 | O13 | 146.9° | 5.5° |
| N7 | C35 | C34 | H40 | 169.6° | 165.1° |
| C35 | N7 | H50 | C30 | 180.0° | 179.9° |
| N7 | C35 | C39 | N8 | 32.3° | 174.6° |
| C35 | C39 | O13 | N8 | 179.1° | 179.9° |
| C39 | C35 | C34 | H40 | 44.6° | 72.9° |
| C39 | C35 | N7 | H50 | 64.3° | 73.7° |
| C35 | C39 | N8 | C40 | 170.2° | 179.1° |
| C35 | C39 | N8 | H51 | 9.8° | 0.8° |
| C39 | C35 | N7 | C30 | 115.7° | 106.3° |
| O13 | C39 | C35 | H41 | 27.9° | 115.0° |
| O13 | C39 | N8 | C40 | 8.9° | 1.0° |
| O13 | C39 | N8 | H51 | 171.1° | 179.1° |
| H40 | C34 | C35 | H41 | 73.4° | 46.1° |
| H40 | C34 | C36 | H42 | 171.4° | 179.7° |
| H40 | C34 | O12 | H49 | 61.7° | 102.7° |
| H41 | C35 | N7 | H50 | 177.2° | 46.8° |
| H41 | C35 | N7 | C30 | 2.8° | 133.3° |
| H41 | C35 | C39 | N8 | 151.3° | 65.0° |
| H42 | C36 | C37 | H43 | 61.6° | 55.0° |
| H42 | C36 | C37 | H44 | 58.4° | 65.0° |
| H42 | C36 | C37 | H45 | 178.4° | 175.1° |
| H42 | C36 | C38 | H46 | 62.5° | 175.2° |
| H42 | C36 | C38 | H47 | 57.5° | 64.9° |
| H42 | C36 | C38 | H48 | 177.5° | 55.1° |
| H43 | C37 | H44 | H45 | 120.0° | 120.1° |
| H46 | C38 | H47 | H48 | 120.0° | 120.1° |
| C40 | N8 | H51 | C39 | 180.0° | 179.9° |
| N8 | C40 | C41 | H52 | 121.0° | 119.7° |
| N8 | C40 | C41 | H53 | 121.0° | 119.7° |
| N8 | C40 | H52 | H53 | 116.8° | 120.5° |
| N8 | C40 | C41 | O14 | 20.3° | 30.2° |
| N8 | C40 | C41 | N9 | 159.9° | 149.8° |
| H51 | N8 | C40 | C41 | 130.8° | 27.9° |
| H51 | N8 | C40 | H52 | 9.8° | 91.9° |
| H51 | N8 | C40 | H53 | 108.1° | 147.6° |
| C41 | C40 | H52 | H53 | 116.8° | 120.6° |
| C40 | C41 | O14 | N9 | 179.8° | 180.0° |
| C40 | C41 | N9 | C43 | 177.1° | 172.9° |
| C40 | C41 | N9 | H54 | 2.9° | 7.1° |
| C41 | C40 | N8 | C39 | 49.1° | 152.0° |
| H52 | C40 | C41 | O14 | 100.8° | 149.9° |
| H52 | C40 | N8 | C39 | 170.1° | 88.3° |
| H52 | C40 | C41 | N9 | 79.1° | 30.1° |
| H53 | C40 | C41 | O14 | 141.3° | 89.5° |
| H53 | C40 | N8 | C39 | 71.9° | 32.3° |
| H53 | C40 | C41 | N9 | 38.9° | 90.5° |
| O14 | C41 | N9 | C43 | 2.7° | 7.1° |
| O14 | C41 | N9 | H54 | 177.3° | 172.9° |
| O17 | C46 | C50 | C49 | 175.9° | 179.3° |
| O17 | C46 | C50 | C48 | 175.7° | 179.7° |
| O17 | C46 | C49 | C47 | 175.6° | 180.0° |
| O17 | C46 | C49 | H61 | 4.4° | 0.6° |
| O17 | C46 | C50 | H62 | 4.4° | 0.6° |
| C46 | C50 | C48 | H62 | 180.0° | 179.1° |
| C46 | C50 | C48 | C45 | 0.0° | 0.6° |
| C50 | C46 | C49 | C47 | 0.2° | 0.6° |
| C50 | C46 | O17 | H58 | 180.0° | 89.4° |
| C46 | C50 | C48 | H60 | 180.0° | 179.4° |
| C50 | C46 | C49 | H61 | 179.8° | 180.0° |
| C48 | C50 | C46 | C49 | 0.2° | 0.9° |
| C50 | C48 | C45 | H60 | 180.0° | 180.0° |
| C50 | C48 | C45 | C47 | 0.3° | 0.0° |
| C50 | C48 | C45 | C44 | 175.2° | 179.7° |
| C46 | C49 | C47 | H61 | 180.0° | 179.4° |
| C46 | C49 | C47 | C45 | 0.1° | 0.0° |
| C49 | C46 | O17 | H58 | 4.2° | 89.9° |
| C46 | C49 | C47 | H59 | 179.9° | 180.0° |
| C49 | C46 | C50 | H62 | 179.7° | 180.0° |
| C48 | C45 | C47 | C49 | 0.4° | 0.3° |
| C48 | C45 | C47 | C44 | 175.4° | 179.7° |
| C48 | C45 | C44 | C43 | 80.8° | 114.7° |
| C48 | C45 | C44 | O16 | 38.2° | 5.2° |
| C48 | C45 | C44 | H56 | 159.4° | 125.3° |
| C48 | C45 | C47 | H59 | 179.6° | 179.7° |
| C45 | C48 | C50 | H62 | 180.0° | 179.7° |
| O15 | C42 | C43 | N10 | 179.5° | 180.0° |
| O15 | C42 | C43 | N9 | 131.6° | 37.5° |
| O15 | C42 | C43 | C44 | 106.3° | 157.2° |
| O15 | C42 | C43 | H55 | 10.8° | 82.2° |
| O15 | C42 | N10 | C51 | 2.6° | 2.4° |
| O15 | C42 | N10 | H63 | 177.4° | 177.5° |
| C49 | C47 | C45 | H59 | 180.0° | 180.0° |
| C49 | C47 | C45 | C44 | 175.1° | 180.0° |
| C47 | C45 | C44 | C43 | 103.9° | 65.6° |
| C47 | C45 | C44 | O16 | 137.2° | 174.5° |
| C47 | C45 | C44 | H56 | 16.0° | 54.4° |
| C47 | C45 | C48 | H60 | 179.7° | 180.0° |
| C45 | C47 | C49 | H61 | 179.9° | 179.4° |
| C45 | C44 | C43 | C42 | 68.6° | 178.8° |
| C45 | C44 | C43 | N9 | 168.7° | 60.0° |
| C45 | C44 | C43 | O16 | 121.6° | 120.0° |
| C45 | C44 | C43 | H56 | 120.0° | 120.0° |
| C45 | C44 | O16 | H56 | 120.5° | 120.0° |
| C45 | C44 | C43 | H55 | 48.6° | 60.7° |
| C45 | C44 | O16 | H57 | 180.0° | 180.0° |
| C44 | C45 | C47 | H59 | 4.9° | 0.0° |
| C44 | C45 | C48 | H60 | 4.8° | 0.3° |
| C42 | C43 | N9 | C44 | 120.3° | 119.7° |
| C42 | C43 | N9 | H55 | 120.3° | 119.7° |
| C42 | C43 | C44 | H55 | 117.2° | 120.6° |
| C42 | C43 | C44 | O16 | 169.8° | 58.8° |
| C42 | C43 | N9 | H54 | 108.4° | 78.6° |
| C42 | C43 | C44 | H56 | 51.4° | 61.3° |
| C43 | C42 | N10 | C51 | 176.9° | 177.6° |
| C43 | C42 | N10 | H63 | 3.1° | 2.5° |
| C42 | C43 | N9 | C41 | 71.6° | 101.4° |
| N9 | C43 | C44 | H55 | 120.1° | 120.6° |
| N9 | C43 | C44 | O16 | 47.1° | 60.0° |
| C43 | N9 | H54 | C41 | 180.0° | 180.0° |
| N9 | C43 | C44 | H56 | 71.2° | 179.9° |
| N9 | C43 | C42 | N10 | 47.8° | 142.5° |
| C43 | C44 | O16 | H56 | 117.4° | 120.0° |
| C44 | C43 | N9 | H54 | 11.9° | 161.7° |
| C43 | C44 | O16 | H57 | 57.8° | 60.0° |
| C44 | C43 | N9 | C41 | 168.1° | 18.3° |
| C44 | C43 | C42 | N10 | 74.2° | 22.8° |
| O16 | C44 | C43 | H55 | 73.0° | 179.4° |
| H54 | N9 | C43 | H55 | 131.3° | 41.1° |
| H55 | C43 | C44 | H56 | 168.7° | 59.3° |
| H55 | C43 | N9 | C41 | 48.7° | 138.9° |
| H55 | C43 | C42 | N10 | 168.7° | 97.8° |
| H56 | C44 | O16 | H57 | 59.5° | 60.0° |
| H59 | C47 | C49 | H61 | 0.1° | 0.6° |
| H60 | C48 | C50 | H62 | 0.0° | 0.3° |
| C51 | N10 | H63 | C42 | 180.0° | 179.9° |
| N10 | C51 | C52 | C53 | 124.7° | 119.7° |
| N10 | C51 | C52 | H64 | 118.3° | 119.7° |
| N10 | C51 | C53 | H64 | 117.6° | 120.4° |
| N10 | C51 | C52 | O18 | 160.9° | 42.0° |
| N10 | C51 | C53 | C54 | 60.5° | 65.0° |
| N10 | C51 | C53 | H65 | 60.1° | 175.0° |
| N10 | C51 | C53 | H66 | 179.0° | 55.0° |
| N10 | C51 | C52 | O2 | 21.8° | 138.0° |
| H63 | N10 | C51 | C52 | 81.6° | 30.7° |
| H63 | N10 | C51 | C53 | 43.6° | 89.0° |
| H63 | N10 | C51 | H64 | 160.6° | 150.5° |
| C52 | C51 | C53 | H64 | 117.1° | 120.5° |
| C51 | C52 | O18 | O2 | 176.9° | 180.0° |
| C52 | C51 | C53 | C54 | 64.8° | 175.9° |
| C52 | C51 | C53 | H65 | 174.6° | 55.9° |
| C52 | C51 | C53 | H66 | 55.8° | 64.1° |
| C52 | C51 | N10 | C42 | 98.4° | 149.2° |
| C53 | C51 | C52 | O18 | 36.2° | 77.8° |
| C51 | C53 | C54 | H65 | 120.6° | 120.0° |
| C51 | C53 | C54 | H66 | 120.6° | 120.0° |
| C51 | C53 | H65 | H66 | 118.2° | 120.0° |
| C51 | C53 | C54 | C55 | 80.7° | 90.0° |
| C51 | C53 | C54 | C56 | 101.0° | 90.3° |
| C53 | C51 | C52 | O2 | 146.5° | 102.2° |
| C53 | C51 | N10 | C42 | 136.4° | 91.0° |
| H64 | C51 | C52 | O18 | 80.8° | 161.7° |
| H64 | C51 | C53 | C54 | 178.1° | 55.5° |
| H64 | C51 | C53 | H65 | 57.5° | 64.5° |
| H64 | C51 | C53 | H66 | 61.3° | 175.5° |
| H64 | C51 | C52 | O2 | 96.5° | 18.3° |
| H64 | C51 | N10 | C42 | 19.4° | 29.5° |
| C54 | C53 | H65 | H66 | 118.3° | 120.0° |
| C53 | C54 | C55 | C56 | 178.3° | 179.7° |
| C53 | C54 | C55 | C57 | 178.2° | 180.0° |
| C53 | C54 | C55 | H67 | 1.8° | 0.0° |
| C53 | C54 | C56 | C58 | 178.2° | 180.0° |
| C53 | C54 | C56 | H68 | 1.8° | 0.0° |
| H65 | C53 | C54 | C55 | 158.7° | 30.0° |
| H65 | C53 | C54 | C56 | 19.5° | 149.7° |
| H66 | C53 | C54 | C55 | 39.9° | 150.0° |
| H66 | C53 | C54 | C56 | 138.4° | 29.7° |
| C54 | C55 | C57 | H67 | 180.0° | 180.0° |
| C55 | C54 | C56 | C58 | 0.1° | 0.3° |
| C55 | C54 | C56 | H68 | 179.9° | 179.7° |
| C54 | C55 | C57 | C59 | 0.0° | 0.0° |
| C54 | C55 | C57 | H69 | 180.0° | 179.9° |
| C56 | C54 | C55 | C57 | 0.1° | 0.3° |
| C56 | C54 | C55 | H67 | 179.9° | 179.7° |
| C54 | C56 | C58 | H68 | 180.0° | 180.0° |
| C54 | C56 | C58 | C59 | 0.0° | 0.1° |
| C54 | C56 | C58 | H70 | 180.0° | 179.9° |
| C55 | C57 | C59 | H69 | 180.0° | 179.9° |
| C55 | C57 | C59 | C58 | 0.1° | 0.2° |
| C55 | C57 | C59 | H71 | 179.9° | 180.0° |
| H67 | C55 | C57 | C59 | 180.0° | 180.0° |
| H67 | C55 | C57 | H69 | 0.0° | 0.1° |
| C56 | C58 | C59 | C57 | 0.1° | 0.2° |
| C56 | C58 | C59 | H70 | 180.0° | 179.9° |
| C56 | C58 | C59 | H71 | 179.9° | 180.0° |
| H68 | C56 | C58 | C59 | 180.0° | 180.0° |
| H68 | C56 | C58 | H70 | 0.0° | 0.1° |
| C57 | C59 | C58 | H71 | 180.0° | 179.8° |
| C57 | C59 | C58 | H70 | 179.9° | 179.7° |
| H69 | C57 | C59 | C58 | 179.9° | 179.8° |
| H69 | C57 | C59 | H71 | 0.1° | 0.1° |
| H70 | C58 | C59 | H71 | 0.1° | 0.1° |
| O21 | C72 | C73 | C65 | 69.2° | 66.0° |
| O21 | C72 | C73 | H83 | 142.0° | 147.1° |
| O21 | C72 | C65 | H83 | 106.8° | 106.9° |
| O21 | C72 | C73 | C66 | 153.4° | 111.1° |
| O21 | C72 | C73 | O20 | 31.8° | 8.9° |
| C72 | O21 | C65 | C69 | 114.7° | 106.9° |
| C72 | O21 | C65 | H75 | 106.0° | 106.9° |
| O21 | C72 | C73 | H84 | 85.8° | 128.8° |
| O21 | C65 | C69 | H75 | 139.8° | 146.9° |
| O21 | C65 | C69 | C63 | 2.5° | 26.7° |
| O21 | C65 | C69 | C62 | 177.9° | 153.3° |
| C67 | C66 | C73 | C72 | 149.5° | 175.0° |
| C67 | C66 | C73 | H76 | 120.4° | 120.1° |
| C67 | C66 | C73 | H77 | 120.4° | 120.0° |
| C67 | C66 | C73 | O20 | 89.8° | 65.0° |
| C67 | C66 | H76 | H77 | 118.8° | 120.0° |
| C66 | C67 | H78 | H79 | 120.0° | 120.1° |
| C66 | C67 | H78 | H80 | 120.0° | 120.0° |
| C66 | C67 | H79 | H80 | 120.0° | 120.0° |
| C67 | C66 | C73 | H84 | 28.7° | 55.0° |
| C73 | C72 | C65 | H83 | 148.5° | 146.2° |
| C72 | C73 | C66 | O20 | 120.7° | 120.0° |
| C72 | C73 | C66 | H84 | 120.8° | 120.0° |
| C72 | C73 | O20 | H84 | 117.2° | 120.0° |
| C73 | C72 | C65 | C69 | 1.2° | 0.1° |
| C72 | C73 | O20 | C68 | 71.2° | 144.9° |
| C73 | C72 | C65 | H75 | 149.1° | 146.3° |
| C72 | C73 | C66 | H76 | 90.1° | 64.9° |
| C72 | C73 | C66 | H77 | 29.1° | 55.0° |
| C65 | C72 | C73 | C66 | 137.4° | 177.2° |
| C65 | C72 | C73 | O20 | 101.0° | 57.1° |
| C72 | C65 | C69 | H75 | 150.6° | 147.0° |
| C72 | C65 | C69 | C63 | 72.1° | 92.7° |
| C72 | C65 | C69 | C62 | 108.3° | 87.2° |
| C65 | C72 | C73 | H84 | 16.6° | 62.8° |
| C66 | C73 | O20 | H84 | 118.1° | 120.0° |
| C66 | C73 | O20 | C68 | 53.5° | 95.1° |
| C73 | C66 | H76 | H77 | 118.7° | 120.0° |
| C73 | C66 | C67 | H78 | 180.0° | 60.0° |
| C73 | C66 | C67 | H79 | 60.0° | 180.0° |
| C73 | C66 | C67 | H80 | 60.0° | 60.0° |
| C66 | C73 | C72 | H83 | 11.5° | 36.0° |
| C73 | O20 | C68 | N11 | 81.9° | 175.2° |
| C73 | O20 | C68 | O22 | 99.0° | 4.7° |
| O20 | C73 | C66 | H76 | 30.6° | 55.1° |
| O20 | C73 | C66 | H77 | 149.7° | 175.1° |
| O20 | C73 | C72 | H83 | 110.2° | 156.0° |
| C65 | C69 | C63 | C62 | 179.6° | 180.0° |
| C65 | C69 | C63 | C70 | 179.4° | 180.0° |
| C65 | C69 | C62 | C71 | 179.4° | 180.0° |
| C65 | C69 | C62 | C74 | 2.1° | 0.3° |
| C65 | C69 | C63 | H73 | 0.6° | 0.0° |
| C69 | C65 | C72 | H83 | 149.7° | 146.2° |
| C69 | C63 | C70 | H73 | 180.0° | 180.0° |
| C69 | C63 | C70 | C64 | 0.1° | 0.2° |
| C63 | C69 | C62 | C71 | 0.2° | 0.0° |
| C63 | C69 | C62 | C74 | 178.3° | 179.8° |
| C63 | C69 | C65 | H75 | 137.3° | 120.2° |
| C69 | C63 | C70 | H81 | 179.9° | 180.0° |
| C70 | C63 | C69 | C62 | 0.2° | 0.0° |
| C63 | C70 | C64 | H81 | 180.0° | 179.8° |
| C63 | C70 | C64 | C71 | 0.0° | 0.5° |
| C63 | C70 | C64 | H74 | 180.0° | 180.0° |
| C69 | C62 | C71 | C74 | 178.5° | 179.7° |
| C69 | C62 | C71 | C64 | 0.2° | 0.3° |
| C69 | C62 | C74 | C61 | 94.5° | 163.8° |
| C62 | C69 | C63 | H73 | 179.8° | 180.0° |
| C62 | C69 | C65 | H75 | 42.3° | 59.8° |
| C69 | C62 | C71 | H82 | 179.9° | 179.7° |
| C69 | C62 | C74 | H85 | 85.5° | 16.1° |
| C70 | C64 | C71 | C62 | 0.0° | 0.5° |
| C70 | C64 | C71 | H74 | 180.0° | 179.5° |
| C64 | C70 | C63 | H73 | 179.9° | 179.7° |
| C70 | C64 | C71 | H82 | 180.0° | 179.5° |
| O20 | C68 | N11 | O22 | 179.1° | 179.9° |
| C68 | O20 | C73 | H84 | 171.6° | 24.9° |
| O20 | C68 | N11 | H86 | 179.1° | 175.0° |
| O20 | C68 | N11 | H87 | 0.9° | 5.1° |
| C62 | C71 | C64 | H82 | 180.0° | 180.0° |
| C71 | C62 | C74 | C61 | 84.0° | 15.9° |
| C62 | C71 | C64 | H74 | 180.0° | 180.0° |
| C71 | C62 | C74 | H85 | 96.0° | 164.1° |
| C74 | C62 | C71 | C64 | 178.4° | 180.0° |
| C62 | C74 | C61 | H85 | 180.0° | 180.0° |
| C62 | C74 | C61 | C60 | 168.9° | 167.7° |
| C62 | C74 | C61 | H72 | 11.1° | 12.4° |
| C74 | C62 | C71 | H82 | 1.6° | 0.0° |
| C71 | C64 | C70 | H81 | 180.0° | 179.7° |
| C68 | N11 | H86 | H87 | 180.0° | 179.9° |
| O22 | C68 | N11 | H86 | 0.0° | 5.0° |
| O22 | C68 | N11 | H87 | 180.0° | 175.0° |
| C74 | C61 | C60 | O19 | 38.5° | 1.7° |
| C74 | C61 | C60 | H72 | 180.0° | 179.9° |
| C74 | C61 | C60 | N1 | 140.0° | 178.2° |
| O19 | C60 | C61 | N1 | 178.5° | 179.9° |
| O19 | C60 | C61 | H72 | 141.5° | 178.2° |
| C60 | C61 | C74 | H85 | 11.1° | 12.3° |
| H72 | C61 | C74 | H85 | 168.9° | 167.6° |
| H72 | C61 | C60 | N1 | 40.0° | 1.9° |
| H73 | C63 | C70 | H81 | 0.1° | 0.0° |
| H74 | C64 | C70 | H81 | 0.0° | 0.3° |
| H74 | C64 | C71 | H82 | 0.0° | 0.0° |
| H75 | C65 | C72 | H83 | 0.6° | 0.1° |
| H76 | C66 | C67 | H78 | 59.6° | 180.0° |
| H76 | C66 | C67 | H79 | 60.4° | 59.9° |
| H76 | C66 | C67 | H80 | 179.6° | 60.1° |
| H76 | C66 | C73 | H84 | 149.1° | 175.0° |
| H77 | C66 | C67 | H78 | 59.6° | 60.0° |
| H77 | C66 | C67 | H79 | 179.6° | 60.1° |
| H77 | C66 | C67 | H80 | 60.4° | 179.9° |
| H77 | C66 | C73 | H84 | 91.7° | 65.0° |
| H78 | C67 | H79 | H80 | 120.0° | 119.9° |
| H83 | C72 | C73 | H84 | 132.2° | 84.0° |
