PRD_002404
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.34Å | 1.36Å | Aromatic |
| C4 | C6 | sing | 1.46Å | 1.44Å | Aromatic |
| C5 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | doub | 1.41Å | 1.41Å | Aromatic |
| C6 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| N2 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C7 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C10 | doub | 1.37Å | 1.37Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N3 | C12 | sing | 1.48Å | 1.46Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C12 | C14 | sing | 1.53Å | 1.52Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | O2 | doub | 1.21Å | 1.23Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | O3 | doub | 1.21Å | 1.24Å | |
| C15 | N4 | sing | 1.35Å | 1.33Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| N5 | C16 | sing | 1.48Å | 1.47Å | |
| N5 | H17 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | O4 | doub | 1.21Å | 1.24Å | |
| C18 | O5 | sing | 1.43Å | 1.42Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| O5 | H21 | sing | 0.97Å | 0.95Å | |
| N6 | C19 | sing | 1.48Å | 1.45Å | |
| N6 | H22 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | O6 | doub | 1.21Å | 1.23Å | |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | O7 | doub | 1.21Å | 1.23Å | |
| C22 | N7 | sing | 1.35Å | 1.33Å | |
| N7 | H25 | sing | 0.97Å | 1.00Å | |
| N7 | H26 | sing | 0.97Å | 1.00Å | |
| N8 | C23 | sing | 1.46Å | 1.45Å | |
| N8 | H27 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | O8 | doub | 1.21Å | 1.23Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.53Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| N9 | C28 | sing | 1.46Å | 1.46Å | |
| N9 | H36 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.51Å | 1.54Å | |
| C28 | C30 | sing | 1.53Å | 1.54Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | O9 | doub | 1.22Å | 1.23Å | |
| C30 | C31 | sing | 1.51Å | 1.50Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | N10 | sing | 1.34Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.35Å | 1.36Å | Aromatic |
| N10 | C33 | doub | 1.31Å | 1.33Å | Aromatic |
| N10 | H40 | sing | 0.97Å | 1.00Å | |
| C32 | N11 | sing | 1.37Å | 1.38Å | Aromatic |
| C32 | H41 | sing | 1.08Å | 1.08Å | |
| C33 | N11 | sing | 1.35Å | 1.34Å | Aromatic |
| C33 | H42 | sing | 1.08Å | 1.08Å | |
| N12 | C34 | sing | 1.48Å | 1.46Å | |
| N12 | H43 | sing | 0.99Å | 1.00Å | |
| C34 | C35 | sing | 1.51Å | 1.54Å | |
| C34 | C36 | sing | 1.52Å | 1.53Å | |
| C34 | H44 | sing | 1.11Å | 1.10Å | |
| C35 | O10 | doub | 1.22Å | 1.23Å | |
| C36 | O11 | sing | 1.43Å | 1.42Å | |
| C36 | H45 | sing | 1.09Å | 1.10Å | |
| C36 | H46 | sing | 1.09Å | 1.10Å | |
| O11 | H47 | sing | 0.97Å | 0.95Å | |
| N13 | C37 | sing | 1.48Å | 1.47Å | |
| N13 | H48 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.51Å | 1.52Å | |
| C37 | C39 | sing | 1.54Å | 1.54Å | |
| C37 | H49 | sing | 1.09Å | 1.10Å | |
| C38 | O12 | doub | 1.21Å | 1.22Å | |
| C39 | C40 | sing | 1.50Å | 1.51Å | |
| C39 | H50 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | C43 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | H51 | sing | 1.08Å | 1.08Å | |
| C42 | C44 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | H52 | sing | 1.08Å | 1.08Å | |
| C43 | C45 | doub | 1.39Å | 1.38Å | Aromatic |
| C43 | H53 | sing | 1.08Å | 1.08Å | |
| C44 | C45 | sing | 1.39Å | 1.38Å | Aromatic |
| C44 | H54 | sing | 1.08Å | 1.08Å | |
| C45 | O13 | sing | 1.36Å | 1.38Å | |
| O13 | H55 | sing | 0.97Å | 0.95Å | |
| N14 | C46 | sing | 1.46Å | 1.46Å | |
| N14 | H56 | sing | 0.97Å | 1.00Å | |
| C46 | C47 | sing | 1.51Å | 1.54Å | |
| C46 | C48 | sing | 1.53Å | 1.55Å | |
| C46 | H57 | sing | 1.09Å | 1.10Å | |
| C47 | O14 | doub | 1.21Å | 1.23Å | |
| C48 | C49 | sing | 1.53Å | 1.54Å | |
| C48 | H58 | sing | 1.09Å | 1.10Å | |
| C48 | H59 | sing | 1.09Å | 1.10Å | |
| C49 | C50 | sing | 1.53Å | 1.54Å | |
| C49 | H60 | sing | 1.09Å | 1.10Å | |
| C49 | H61 | sing | 1.09Å | 1.10Å | |
| C50 | N15 | sing | 1.46Å | 1.47Å | |
| C50 | H62 | sing | 1.09Å | 1.10Å | |
| C50 | H63 | sing | 1.09Å | 1.10Å | |
| N15 | C51 | sing | 1.37Å | 1.34Å | |
| N15 | H64 | sing | 0.97Å | 1.00Å | |
| C51 | N16 | sing | 1.33Å | 1.33Å | |
| C51 | N17 | doub | 1.33Å | 1.33Å | |
| N16 | H65 | sing | 0.97Å | 1.00Å | |
| N16 | H66 | sing | 0.97Å | 1.00Å | |
| N17 | H67 | sing | 0.97Å | 1.00Å | |
| N17 | H68 | sing | 0.97Å | 1.00Å | |
| N18 | C52 | sing | 1.47Å | 1.47Å | |
| N18 | H69 | sing | 0.97Å | 1.00Å | |
| C52 | C53 | sing | 1.51Å | 1.55Å | |
| C52 | C54 | sing | 1.53Å | 1.55Å | |
| C52 | H70 | sing | 1.09Å | 1.10Å | |
| C53 | O15 | doub | 1.21Å | 1.25Å | |
| C53 | O16 | sing | 1.34Å | 1.26Å | |
| C54 | C55 | sing | 1.51Å | 1.51Å | |
| C54 | H71 | sing | 1.09Å | 1.10Å | |
| C54 | H72 | sing | 1.09Å | 1.10Å | |
| C55 | C56 | doub | 1.38Å | 1.38Å | Aromatic |
| C55 | C57 | sing | 1.38Å | 1.38Å | Aromatic |
| C56 | C58 | sing | 1.38Å | 1.39Å | Aromatic |
| C56 | H73 | sing | 1.08Å | 1.08Å | |
| C57 | C59 | doub | 1.38Å | 1.39Å | Aromatic |
| C57 | H74 | sing | 1.08Å | 1.08Å | |
| C58 | C60 | doub | 1.38Å | 1.37Å | Aromatic |
| C58 | H75 | sing | 1.08Å | 1.08Å | |
| C59 | C60 | sing | 1.38Å | 1.37Å | Aromatic |
| C59 | H76 | sing | 1.08Å | 1.08Å | |
| C60 | H77 | sing | 1.08Å | 1.08Å | |
| O16 | H78 | sing | 0.97Å | 0.95Å | |
| C2 | N3 | sing | 1.37Å | 1.34Å | |
| C11 | C21 | sing | 1.51Å | 1.55Å | |
| C13 | N5 | sing | 1.36Å | 1.35Å | |
| C17 | N6 | sing | 1.37Å | 1.33Å | |
| C20 | N8 | sing | 1.35Å | 1.34Å | |
| C24 | N9 | sing | 1.35Å | 1.34Å | |
| C29 | N12 | sing | 1.36Å | 1.34Å | |
| N11 | C39 | sing | 1.46Å | 1.38Å | |
| C35 | N13 | sing | 1.36Å | 1.34Å | |
| C38 | N14 | sing | 1.35Å | 1.33Å | |
| C47 | N18 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| N1 | C1 | C2 | 108.8° | 109.4° |
| N1 | C1 | C3 | 110.0° | 109.4° |
| N1 | C1 | H3 | 109.6° | 109.5° |
| H1 | N1 | H2 | 109.4° | 111.0° |
| C2 | C1 | C3 | 111.0° | 109.7° |
| C2 | C1 | H3 | 108.8° | 109.4° |
| C1 | C2 | O1 | 119.8° | 120.8° |
| C1 | C2 | N3 | 117.5° | 118.4° |
| C3 | C1 | H3 | 108.7° | 109.4° |
| C1 | C3 | C4 | 115.0° | 109.6° |
| C1 | C3 | H4 | 108.1° | 109.4° |
| C1 | C3 | H5 | 108.1° | 109.5° |
| O1 | C2 | N3 | 122.8° | 120.8° |
| C4 | C3 | H4 | 108.1° | 109.4° |
| C4 | C3 | H5 | 108.1° | 109.4° |
| C3 | C4 | C5 | 127.1° | 126.6° |
| C3 | C4 | C6 | 126.5° | 126.5° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| C5 | C4 | C6 | 106.2° | 106.9° |
| C4 | C5 | N2 | 110.2° | 110.0° |
| C4 | C5 | H6 | 124.9° | 125.0° |
| C4 | C6 | C7 | 107.3° | 106.1° |
| C4 | C6 | C8 | 133.9° | 134.0° |
| N2 | C5 | H6 | 124.9° | 125.0° |
| C5 | N2 | C7 | 109.0° | 109.9° |
| C5 | N2 | H7 | 125.5° | 125.1° |
| C7 | C6 | C8 | 118.8° | 119.9° |
| C6 | C7 | N2 | 107.4° | 107.1° |
| C6 | C7 | C9 | 122.3° | 119.3° |
| C6 | C8 | C10 | 118.7° | 119.8° |
| C6 | C8 | H8 | 120.6° | 120.1° |
| C7 | N2 | H7 | 125.5° | 125.0° |
| N2 | C7 | C9 | 130.3° | 133.6° |
| C7 | C9 | C11 | 117.3° | 119.8° |
| C7 | C9 | H9 | 121.3° | 120.1° |
| C10 | C8 | H8 | 120.7° | 120.1° |
| C8 | C10 | C11 | 120.9° | 120.5° |
| C8 | C10 | H10 | 119.6° | 119.7° |
| C11 | C9 | H9 | 121.4° | 120.1° |
| C9 | C11 | C10 | 121.5° | 120.7° |
| C9 | C11 | C21 | 116.0° | 119.6° |
| C11 | C10 | H10 | 119.5° | 119.8° |
| C10 | C11 | C21 | 122.5° | 119.7° |
| C12 | N3 | H11 | 119.4° | 122.7° |
| N3 | C12 | C13 | 113.4° | 108.7° |
| N3 | C12 | C14 | 108.7° | 109.6° |
| N3 | C12 | H12 | 108.4° | 109.6° |
| C12 | N3 | C2 | 121.2° | 114.6° |
| H11 | N3 | C2 | 119.4° | 122.7° |
| C13 | C12 | C14 | 111.4° | 109.6° |
| C13 | C12 | H12 | 107.2° | 109.6° |
| C12 | C13 | O2 | 120.6° | 120.5° |
| C12 | C13 | N5 | 115.3° | 118.9° |
| C14 | C12 | H12 | 107.6° | 109.7° |
| C12 | C14 | C15 | 112.1° | 109.5° |
| C12 | C14 | H13 | 108.8° | 109.5° |
| C12 | C14 | H14 | 108.8° | 109.5° |
| O2 | C13 | N5 | 124.0° | 120.6° |
| C15 | C14 | H13 | 108.8° | 109.5° |
| C15 | C14 | H14 | 108.8° | 109.4° |
| C14 | C15 | O3 | 121.2° | 120.0° |
| C14 | C15 | N4 | 116.4° | 120.0° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| O3 | C15 | N4 | 122.4° | 120.0° |
| C15 | N4 | H15 | 120.0° | 120.0° |
| C15 | N4 | H16 | 120.0° | 120.0° |
| H15 | N4 | H16 | 120.0° | 120.0° |
| C16 | N5 | H17 | 115.4° | 122.0° |
| N5 | C16 | C17 | 115.0° | 109.2° |
| N5 | C16 | C18 | 111.2° | 109.5° |
| N5 | C16 | H18 | 106.8° | 109.6° |
| C16 | N5 | C13 | 129.2° | 116.1° |
| H17 | N5 | C13 | 115.4° | 121.9° |
| C17 | C16 | C18 | 110.9° | 109.5° |
| C17 | C16 | H18 | 106.2° | 109.5° |
| C16 | C17 | O4 | 121.6° | 120.7° |
| C16 | C17 | N6 | 114.5° | 118.6° |
| C18 | C16 | H18 | 106.2° | 109.6° |
| C16 | C18 | O5 | 114.5° | 109.5° |
| C16 | C18 | H19 | 108.2° | 109.5° |
| C16 | C18 | H20 | 108.2° | 109.5° |
| O4 | C17 | N6 | 123.6° | 120.7° |
| O5 | C18 | H19 | 108.2° | 109.4° |
| O5 | C18 | H20 | 108.2° | 109.4° |
| C18 | O5 | H21 | 109.5° | 114.0° |
| H19 | C18 | H20 | 109.5° | 109.4° |
| C19 | N6 | H22 | 118.2° | 122.6° |
| N6 | C19 | C20 | 113.9° | 109.7° |
| N6 | C19 | C21 | 110.9° | 108.2° |
| N6 | C19 | H23 | 107.7° | 109.8° |
| C19 | N6 | C17 | 123.5° | 114.8° |
| H22 | N6 | C17 | 118.3° | 122.6° |
| C20 | C19 | C21 | 110.3° | 109.7° |
| C20 | C19 | H23 | 106.8° | 109.7° |
| C19 | C20 | O6 | 118.5° | 120.0° |
| C19 | C20 | N8 | 118.9° | 120.0° |
| C21 | C19 | H23 | 106.8° | 109.7° |
| C19 | C21 | C22 | 113.8° | 109.5° |
| C19 | C21 | H24 | 108.8° | 109.6° |
| C19 | C21 | C11 | 103.1° | 108.9° |
| O6 | C20 | N8 | 122.6° | 120.0° |
| C22 | C21 | H24 | 109.1° | 109.7° |
| C21 | C22 | O7 | 120.3° | 120.0° |
| C21 | C22 | N7 | 118.2° | 120.0° |
| C22 | C21 | C11 | 113.1° | 109.6° |
| H24 | C21 | C11 | 108.5° | 109.6° |
| O7 | C22 | N7 | 121.5° | 120.0° |
| C22 | N7 | H25 | 120.0° | 120.0° |
| C22 | N7 | H26 | 120.0° | 120.0° |
| H25 | N7 | H26 | 120.0° | 120.0° |
| C23 | N8 | H27 | 119.5° | 120.1° |
| N8 | C23 | C24 | 107.8° | 109.4° |
| N8 | C23 | C25 | 112.5° | 109.5° |
| N8 | C23 | H28 | 108.6° | 109.5° |
| C23 | N8 | C20 | 121.1° | 120.0° |
| H27 | N8 | C20 | 119.5° | 120.0° |
| C24 | C23 | C25 | 112.3° | 109.5° |
| C24 | C23 | H28 | 107.9° | 109.5° |
| C23 | C24 | O8 | 119.3° | 120.0° |
| C23 | C24 | N9 | 117.8° | 120.0° |
| C25 | C23 | H28 | 107.6° | 109.5° |
| C23 | C25 | C26 | 110.4° | 109.4° |
| C23 | C25 | C27 | 110.6° | 109.5° |
| C23 | C25 | H29 | 108.2° | 109.5° |
| O8 | C24 | N9 | 122.9° | 120.0° |
| C26 | C25 | C27 | 111.1° | 109.5° |
| C26 | C25 | H29 | 108.2° | 109.4° |
| C25 | C26 | H30 | 109.5° | 109.5° |
| C25 | C26 | H31 | 109.4° | 109.5° |
| C25 | C26 | H32 | 109.5° | 109.5° |
| C27 | C25 | H29 | 108.2° | 109.5° |
| C25 | C27 | H33 | 109.5° | 109.5° |
| C25 | C27 | H34 | 109.5° | 109.5° |
| C25 | C27 | H35 | 109.4° | 109.5° |
| H30 | C26 | H31 | 109.5° | 109.4° |
| H30 | C26 | H32 | 109.5° | 109.4° |
| H31 | C26 | H32 | 109.5° | 109.5° |
| H33 | C27 | H34 | 109.5° | 109.5° |
| H33 | C27 | H35 | 109.4° | 109.5° |
| H34 | C27 | H35 | 109.5° | 109.5° |
| C28 | N9 | H36 | 119.5° | 120.0° |
| N9 | C28 | C29 | 113.4° | 110.7° |
| N9 | C28 | C30 | 112.3° | 109.1° |
| N9 | C28 | H37 | 107.5° | 109.5° |
| C28 | N9 | C24 | 120.9° | 120.0° |
| H36 | N9 | C24 | 119.5° | 120.0° |
| C29 | C28 | C30 | 110.2° | 109.4° |
| C29 | C28 | H37 | 106.6° | 109.0° |
| C28 | C29 | O9 | 120.5° | 117.7° |
| C28 | C29 | N12 | 116.0° | 119.1° |
| C30 | C28 | H37 | 106.5° | 109.1° |
| C28 | C30 | C31 | 113.4° | 108.6° |
| C28 | C30 | H38 | 108.5° | 109.4° |
| C28 | C30 | H39 | 108.5° | 109.3° |
| O9 | C29 | N12 | 123.3° | 123.3° |
| C31 | C30 | H38 | 108.5° | 109.9° |
| C31 | C30 | H39 | 108.5° | 109.8° |
| C30 | C31 | N10 | 121.5° | 126.6° |
| C30 | C31 | C32 | 129.8° | 125.5° |
| H38 | C30 | H39 | 109.4° | 109.9° |
| N10 | C31 | C32 | 108.7° | 107.8° |
| C31 | N10 | C33 | 106.0° | 109.2° |
| C31 | N10 | H40 | 127.0° | 125.6° |
| C31 | C32 | N11 | 106.9° | 106.6° |
| C31 | C32 | H41 | 126.6° | 126.2° |
| C33 | N10 | H40 | 127.0° | 125.3° |
| N10 | C33 | N11 | 111.5° | 108.5° |
| N10 | C33 | H42 | 124.3° | 125.7° |
| N11 | C32 | H41 | 126.6° | 127.2° |
| C32 | N11 | C33 | 107.0° | 106.9° |
| C32 | N11 | C39 | 131.5° | 126.1° |
| N11 | C33 | H42 | 124.3° | 125.8° |
| C33 | N11 | C39 | 117.5° | 126.8° |
| C34 | N12 | H43 | 117.8° | 118.9° |
| N12 | C34 | C35 | 103.0° | 110.9° |
| N12 | C34 | C36 | 110.4° | 113.2° |
| N12 | C34 | H44 | 111.3° | 107.3° |
| C34 | N12 | C29 | 124.5° | 119.5° |
| H43 | N12 | C29 | 117.8° | 121.5° |
| C35 | C34 | C36 | 111.7° | 111.2° |
| C35 | C34 | H44 | 110.1° | 106.8° |
| C34 | C35 | O10 | 119.7° | 118.9° |
| C34 | C35 | N13 | 117.9° | 119.8° |
| C36 | C34 | H44 | 110.2° | 107.1° |
| C34 | C36 | O11 | 112.0° | 109.5° |
| C34 | C36 | H45 | 108.8° | 109.5° |
| C34 | C36 | H46 | 108.8° | 109.5° |
| O10 | C35 | N13 | 122.2° | 121.2° |
| O11 | C36 | H45 | 108.9° | 109.4° |
| O11 | C36 | H46 | 108.9° | 109.4° |
| C36 | O11 | H47 | 109.5° | 114.0° |
| H45 | C36 | H46 | 109.5° | 109.5° |
| C37 | N13 | H48 | 119.0° | 121.5° |
| N13 | C37 | C38 | 114.3° | 110.5° |
| N13 | C37 | C39 | 109.4° | 108.6° |
| N13 | C37 | H49 | 108.2° | 110.4° |
| C37 | N13 | C35 | 122.1° | 118.8° |
| H48 | N13 | C35 | 118.9° | 119.7° |
| C38 | C37 | C39 | 110.0° | 108.1° |
| C38 | C37 | H49 | 107.5° | 109.7° |
| C37 | C38 | O12 | 119.6° | 120.0° |
| C37 | C38 | N14 | 117.4° | 120.0° |
| C39 | C37 | H49 | 107.3° | 109.5° |
| C37 | C39 | C40 | 114.4° | 109.7° |
| C37 | C39 | H50 | 101.2° | 109.0° |
| C37 | C39 | N11 | 115.5° | 108.5° |
| O12 | C38 | N14 | 122.6° | 120.1° |
| C40 | C39 | H50 | 101.4° | 109.7° |
| C39 | C40 | C41 | 121.1° | 120.0° |
| C39 | C40 | C42 | 121.0° | 119.9° |
| C40 | C39 | N11 | 117.9° | 110.3° |
| H50 | C39 | N11 | 102.6° | 109.6° |
| C41 | C40 | C42 | 117.7° | 120.1° |
| C40 | C41 | C43 | 121.3° | 120.0° |
| C40 | C41 | H51 | 119.3° | 120.0° |
| C40 | C42 | C44 | 121.3° | 120.0° |
| C40 | C42 | H52 | 119.3° | 120.0° |
| C43 | C41 | H51 | 119.3° | 120.0° |
| C41 | C43 | C45 | 119.8° | 120.0° |
| C41 | C43 | H53 | 120.1° | 120.0° |
| C44 | C42 | H52 | 119.3° | 120.0° |
| C42 | C44 | C45 | 119.9° | 120.0° |
| C42 | C44 | H54 | 120.1° | 120.0° |
| C45 | C43 | H53 | 120.1° | 120.0° |
| C43 | C45 | C44 | 119.6° | 119.9° |
| C43 | C45 | O13 | 119.2° | 120.0° |
| C45 | C44 | H54 | 120.0° | 120.0° |
| C44 | C45 | O13 | 121.2° | 120.1° |
| C45 | O13 | H55 | 109.5° | 114.0° |
| C46 | N14 | H56 | 118.7° | 120.0° |
| N14 | C46 | C47 | 109.7° | 109.5° |
| N14 | C46 | C48 | 112.1° | 109.5° |
| N14 | C46 | H57 | 108.0° | 109.5° |
| C46 | N14 | C38 | 122.6° | 120.0° |
| H56 | N14 | C38 | 118.7° | 120.0° |
| C47 | C46 | C48 | 113.0° | 109.4° |
| C47 | C46 | H57 | 107.0° | 109.4° |
| C46 | C47 | O14 | 120.0° | 120.0° |
| C46 | C47 | N18 | 117.3° | 120.0° |
| C48 | C46 | H57 | 106.9° | 109.5° |
| C46 | C48 | C49 | 116.6° | 109.4° |
| C46 | C48 | H58 | 107.7° | 109.4° |
| C46 | C48 | H59 | 107.6° | 109.5° |
| O14 | C47 | N18 | 122.7° | 120.0° |
| C49 | C48 | H58 | 107.6° | 109.5° |
| C49 | C48 | H59 | 107.6° | 109.5° |
| C48 | C49 | C50 | 115.2° | 109.5° |
| C48 | C49 | H60 | 108.1° | 109.5° |
| C48 | C49 | H61 | 108.0° | 109.5° |
| H58 | C48 | H59 | 109.5° | 109.4° |
| C50 | C49 | H60 | 108.0° | 109.5° |
| C50 | C49 | H61 | 108.0° | 109.5° |
| C49 | C50 | N15 | 112.4° | 109.5° |
| C49 | C50 | H62 | 108.7° | 109.4° |
| C49 | C50 | H63 | 108.8° | 109.4° |
| H60 | C49 | H61 | 109.4° | 109.4° |
| N15 | C50 | H62 | 108.7° | 109.5° |
| N15 | C50 | H63 | 108.7° | 109.5° |
| C50 | N15 | C51 | 125.2° | 120.0° |
| C50 | N15 | H64 | 117.4° | 120.0° |
| H62 | C50 | H63 | 109.5° | 109.4° |
| C51 | N15 | H64 | 117.4° | 120.0° |
| N15 | C51 | N16 | 120.3° | 119.9° |
| N15 | C51 | N17 | 120.5° | 120.0° |
| N16 | C51 | N17 | 119.2° | 120.1° |
| C51 | N16 | H65 | 120.0° | 120.1° |
| C51 | N16 | H66 | 120.0° | 120.0° |
| C51 | N17 | H67 | 120.0° | 120.0° |
| C51 | N17 | H68 | 120.0° | 120.0° |
| H65 | N16 | H66 | 120.0° | 120.0° |
| H67 | N17 | H68 | 120.0° | 120.0° |
| C52 | N18 | H69 | 118.8° | 120.0° |
| N18 | C52 | C53 | 113.5° | 109.4° |
| N18 | C52 | C54 | 109.7° | 109.5° |
| N18 | C52 | H70 | 108.1° | 109.5° |
| C52 | N18 | C47 | 122.4° | 120.0° |
| H69 | N18 | C47 | 118.8° | 120.0° |
| C53 | C52 | C54 | 111.1° | 109.5° |
| C53 | C52 | H70 | 107.1° | 109.5° |
| C52 | C53 | O15 | 119.0° | 120.0° |
| C52 | C53 | O16 | 118.9° | 120.0° |
| C54 | C52 | H70 | 107.2° | 109.5° |
| C52 | C54 | C55 | 115.3° | 109.5° |
| C52 | C54 | H71 | 108.0° | 109.5° |
| C52 | C54 | H72 | 108.0° | 109.4° |
| O15 | C53 | O16 | 122.1° | 120.0° |
| C53 | O16 | H78 | 109.5° | 117.0° |
| C55 | C54 | H71 | 108.0° | 109.5° |
| C55 | C54 | H72 | 108.0° | 109.5° |
| C54 | C55 | C56 | 120.9° | 120.0° |
| C54 | C55 | C57 | 120.8° | 120.0° |
| H71 | C54 | H72 | 109.4° | 109.4° |
| C56 | C55 | C57 | 118.3° | 120.0° |
| C55 | C56 | C58 | 120.7° | 120.0° |
| C55 | C56 | H73 | 119.7° | 120.0° |
| C55 | C57 | C59 | 120.7° | 120.0° |
| C55 | C57 | H74 | 119.6° | 120.0° |
| C58 | C56 | H73 | 119.6° | 120.0° |
| C56 | C58 | C60 | 120.1° | 120.0° |
| C56 | C58 | H75 | 120.0° | 120.0° |
| C59 | C57 | H74 | 119.6° | 120.0° |
| C57 | C59 | C60 | 120.1° | 120.0° |
| C57 | C59 | H76 | 120.0° | 120.0° |
| C60 | C58 | H75 | 120.0° | 120.0° |
| C58 | C60 | C59 | 120.1° | 120.0° |
| C58 | C60 | H77 | 120.0° | 120.0° |
| C60 | C59 | H76 | 119.9° | 120.0° |
| C59 | C60 | H77 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | C1 | C2 | C3 | 121.2° | 120.0° |
| N1 | C1 | C2 | H3 | 119.3° | 119.9° |
| N1 | C1 | C3 | H3 | 120.0° | 119.9° |
| N1 | C1 | C2 | O1 | 36.1° | 137.8° |
| N1 | C1 | C3 | C4 | 178.6° | 129.5° |
| N1 | C1 | C3 | H4 | 57.8° | 110.5° |
| N1 | C1 | C3 | H5 | 60.6° | 9.4° |
| N1 | C1 | C2 | N3 | 144.5° | 42.2° |
| H1 | N1 | C1 | C2 | 180.0° | 60.0° |
| H1 | N1 | C1 | C3 | 58.2° | 179.8° |
| H1 | N1 | C1 | H3 | 61.2° | 59.9° |
| H2 | N1 | C1 | C2 | 60.0° | 63.9° |
| H2 | N1 | C1 | C3 | 178.2° | 56.3° |
| H2 | N1 | C1 | H3 | 58.8° | 176.2° |
| C2 | C1 | C3 | H3 | 119.5° | 120.0° |
| C1 | C2 | O1 | N3 | 179.4° | 180.0° |
| C2 | C1 | C3 | C4 | 60.9° | 9.4° |
| C2 | C1 | C3 | H4 | 178.3° | 129.5° |
| C2 | C1 | C3 | H5 | 59.9° | 110.6° |
| C1 | C2 | N3 | C12 | 178.8° | 179.0° |
| C1 | C2 | N3 | H11 | 1.2° | 1.0° |
| C3 | C1 | C2 | O1 | 85.1° | 17.8° |
| C1 | C3 | C4 | H4 | 120.8° | 120.0° |
| C1 | C3 | C4 | H5 | 120.8° | 120.1° |
| C1 | C3 | H4 | H5 | 117.5° | 120.0° |
| C1 | C3 | C4 | C5 | 100.5° | 91.4° |
| C1 | C3 | C4 | C6 | 85.6° | 88.7° |
| C3 | C1 | C2 | N3 | 94.3° | 162.3° |
| H3 | C1 | C2 | O1 | 155.4° | 102.3° |
| H3 | C1 | C3 | C4 | 58.6° | 110.6° |
| H3 | C1 | C3 | H4 | 62.2° | 9.4° |
| H3 | C1 | C3 | H5 | 179.4° | 129.3° |
| H3 | C1 | C2 | N3 | 25.2° | 77.7° |
| O1 | C2 | N3 | C12 | 1.8° | 1.0° |
| O1 | C2 | N3 | H11 | 178.2° | 179.0° |
| C4 | C3 | H4 | H5 | 117.5° | 119.9° |
| C3 | C4 | C5 | C6 | 174.8° | 179.9° |
| C3 | C4 | C5 | N2 | 175.5° | 179.7° |
| C3 | C4 | C5 | H6 | 4.5° | 0.3° |
| C3 | C4 | C6 | C7 | 175.8° | 179.0° |
| C3 | C4 | C6 | C8 | 1.1° | 1.4° |
| H4 | C3 | C4 | C5 | 20.3° | 28.6° |
| H4 | C3 | C4 | C6 | 153.6° | 151.3° |
| H5 | C3 | C4 | C5 | 138.7° | 148.5° |
| H5 | C3 | C4 | C6 | 35.2° | 31.5° |
| C4 | C5 | N2 | H6 | 180.0° | 180.0° |
| C5 | C4 | C6 | C7 | 1.0° | 1.1° |
| C5 | C4 | C6 | C8 | 175.9° | 178.6° |
| C4 | C5 | N2 | C7 | 0.1° | 0.5° |
| C4 | C5 | N2 | H7 | 179.9° | 179.6° |
| C6 | C4 | C5 | N2 | 0.6° | 0.4° |
| C6 | C4 | C5 | H6 | 179.4° | 179.6° |
| C4 | C6 | C7 | C8 | 177.4° | 179.7° |
| C4 | C6 | C7 | N2 | 0.9° | 1.3° |
| C4 | C6 | C7 | C9 | 179.5° | 178.3° |
| C4 | C6 | C8 | C10 | 176.7° | 178.6° |
| C4 | C6 | C8 | H8 | 3.2° | 1.4° |
| C5 | N2 | C7 | C6 | 0.5° | 1.2° |
| C5 | N2 | C7 | H7 | 180.0° | 179.9° |
| C5 | N2 | C7 | C9 | 179.9° | 178.4° |
| H6 | C5 | N2 | C7 | 179.9° | 179.5° |
| H6 | C5 | N2 | H7 | 0.1° | 0.4° |
| C6 | C7 | N2 | C9 | 179.6° | 179.6° |
| C6 | C7 | N2 | H7 | 179.5° | 178.9° |
| C7 | C6 | C8 | C10 | 6.6° | 1.8° |
| C7 | C6 | C8 | H8 | 173.4° | 178.2° |
| C6 | C7 | C9 | C11 | 1.2° | 0.4° |
| C6 | C7 | C9 | H9 | 178.8° | 179.5° |
| C8 | C6 | C7 | N2 | 176.5° | 178.4° |
| C8 | C6 | C7 | C9 | 3.1° | 2.0° |
| C6 | C8 | C10 | H8 | 180.0° | 180.0° |
| C6 | C8 | C10 | C11 | 8.5° | 0.1° |
| C6 | C8 | C10 | H10 | 171.5° | 179.9° |
| N2 | C7 | C9 | C11 | 178.3° | 180.0° |
| N2 | C7 | C9 | H9 | 1.7° | 0.0° |
| H7 | N2 | C7 | C9 | 0.1° | 1.5° |
| C7 | C9 | C11 | H9 | 180.0° | 180.0° |
| C7 | C9 | C11 | C10 | 2.9° | 1.3° |
| C7 | C9 | C11 | C21 | 176.0° | 177.6° |
| C8 | C10 | C11 | C9 | 6.8° | 1.4° |
| C8 | C10 | C11 | H10 | 180.0° | 179.9° |
| C8 | C10 | C11 | C21 | 172.1° | 177.4° |
| H8 | C8 | C10 | C11 | 171.5° | 179.9° |
| H8 | C8 | C10 | H10 | 8.5° | 0.0° |
| C9 | C11 | C10 | C21 | 178.9° | 178.8° |
| C9 | C11 | C10 | H10 | 173.2° | 178.5° |
| C9 | C11 | C21 | C19 | 73.9° | 84.9° |
| C9 | C11 | C21 | C22 | 162.6° | 155.3° |
| C9 | C11 | C21 | H24 | 41.3° | 35.0° |
| H9 | C9 | C11 | C10 | 177.1° | 178.8° |
| H9 | C9 | C11 | C21 | 4.0° | 2.4° |
| C10 | C11 | C21 | C19 | 107.2° | 94.0° |
| C10 | C11 | C21 | C22 | 16.3° | 25.8° |
| C10 | C11 | C21 | H24 | 137.6° | 146.2° |
| H10 | C10 | C11 | C21 | 7.9° | 2.7° |
| C12 | N3 | H11 | C2 | 180.0° | 180.0° |
| N3 | C12 | C13 | C14 | 123.0° | 119.8° |
| N3 | C12 | C13 | H12 | 119.6° | 119.8° |
| N3 | C12 | C14 | H12 | 117.2° | 120.4° |
| N3 | C12 | C13 | O2 | 9.2° | 0.3° |
| N3 | C12 | C14 | C15 | 64.4° | 51.8° |
| N3 | C12 | C14 | H13 | 175.2° | 68.2° |
| N3 | C12 | C14 | H14 | 56.0° | 171.7° |
| N3 | C12 | C13 | N5 | 168.9° | 179.7° |
| H11 | N3 | C12 | C13 | 37.3° | 95.2° |
| H11 | N3 | C12 | C14 | 87.1° | 145.1° |
| H11 | N3 | C12 | H12 | 156.2° | 24.7° |
| C13 | C12 | C14 | H12 | 117.2° | 120.4° |
| C12 | C13 | O2 | N5 | 177.9° | 180.0° |
| C13 | C12 | C14 | C15 | 61.2° | 171.0° |
| C13 | C12 | C14 | H13 | 59.2° | 51.0° |
| C13 | C12 | C14 | H14 | 178.4° | 69.0° |
| C12 | C13 | N5 | C16 | 177.7° | 179.9° |
| C12 | C13 | N5 | H17 | 2.3° | 0.1° |
| C13 | C12 | N3 | C2 | 142.7° | 84.8° |
| C14 | C12 | C13 | O2 | 113.8° | 120.1° |
| C12 | C14 | C15 | H13 | 120.4° | 120.0° |
| C12 | C14 | C15 | H14 | 120.4° | 120.0° |
| C12 | C14 | H13 | H14 | 118.8° | 120.1° |
| C12 | C14 | C15 | O3 | 93.4° | 0.0° |
| C12 | C14 | C15 | N4 | 85.2° | 180.0° |
| C14 | C12 | N3 | C2 | 92.9° | 34.9° |
| C14 | C12 | C13 | N5 | 68.1° | 59.9° |
| H12 | C12 | C13 | O2 | 128.8° | 119.5° |
| H12 | C12 | C14 | C15 | 178.4° | 68.6° |
| H12 | C12 | C14 | H13 | 58.0° | 171.4° |
| H12 | C12 | C14 | H14 | 61.2° | 51.3° |
| H12 | C12 | N3 | C2 | 23.7° | 155.4° |
| H12 | C12 | C13 | N5 | 49.3° | 60.5° |
| O2 | C13 | N5 | C16 | 4.3° | 0.1° |
| O2 | C13 | N5 | H17 | 175.7° | 179.9° |
| C15 | C14 | H13 | H14 | 118.8° | 119.9° |
| C14 | C15 | O3 | N4 | 178.5° | 180.0° |
| C14 | C15 | N4 | H15 | 178.5° | 0.0° |
| C14 | C15 | N4 | H16 | 1.5° | 179.9° |
| H13 | C14 | C15 | O3 | 27.0° | 120.0° |
| H13 | C14 | C15 | N4 | 154.5° | 60.0° |
| H14 | C14 | C15 | O3 | 146.2° | 120.0° |
| H14 | C14 | C15 | N4 | 35.2° | 60.0° |
| O3 | C15 | N4 | H15 | 0.0° | 179.9° |
| O3 | C15 | N4 | H16 | 180.0° | 0.1° |
| C15 | N4 | H15 | H16 | 180.0° | 179.9° |
| C16 | N5 | H17 | C13 | 180.0° | 179.9° |
| N5 | C16 | C17 | C18 | 127.1° | 119.9° |
| N5 | C16 | C17 | H18 | 117.9° | 120.0° |
| N5 | C16 | C18 | H18 | 115.8° | 120.2° |
| N5 | C16 | C17 | O4 | 121.4° | 81.4° |
| N5 | C16 | C18 | O5 | 34.9° | 65.0° |
| N5 | C16 | C18 | H19 | 155.6° | 55.0° |
| N5 | C16 | C18 | H20 | 85.9° | 175.0° |
| N5 | C16 | C17 | N6 | 63.8° | 98.5° |
| H17 | N5 | C16 | C17 | 143.9° | 76.2° |
| H17 | N5 | C16 | C18 | 89.1° | 43.6° |
| H17 | N5 | C16 | H18 | 26.3° | 163.8° |
| C17 | C16 | C18 | H18 | 114.9° | 120.1° |
| C16 | C17 | O4 | N6 | 174.3° | 179.9° |
| C17 | C16 | C18 | O5 | 94.4° | 175.3° |
| C17 | C16 | C18 | H19 | 26.4° | 64.7° |
| C17 | C16 | C18 | H20 | 144.9° | 55.3° |
| C16 | C17 | N6 | C19 | 179.6° | 177.7° |
| C16 | C17 | N6 | H22 | 0.4° | 2.3° |
| C17 | C16 | N5 | C13 | 36.1° | 103.7° |
| C18 | C16 | C17 | O4 | 5.8° | 38.4° |
| C16 | C18 | O5 | H19 | 120.7° | 120.1° |
| C16 | C18 | O5 | H20 | 120.7° | 120.0° |
| C16 | C18 | H19 | H20 | 117.7° | 120.1° |
| C16 | C18 | O5 | H21 | 47.6° | 180.0° |
| C18 | C16 | N5 | C13 | 90.9° | 136.4° |
| C18 | C16 | C17 | N6 | 169.1° | 141.7° |
| H18 | C16 | C17 | O4 | 120.7° | 158.6° |
| H18 | C16 | C18 | O5 | 150.7° | 55.2° |
| H18 | C16 | C18 | H19 | 88.6° | 175.1° |
| H18 | C16 | C18 | H20 | 30.0° | 64.8° |
| H18 | C16 | N5 | C13 | 153.7° | 16.2° |
| H18 | C16 | C17 | N6 | 54.1° | 21.5° |
| O4 | C17 | N6 | C19 | 5.7° | 2.5° |
| O4 | C17 | N6 | H22 | 174.3° | 177.6° |
| O5 | C18 | H19 | H20 | 117.7° | 119.9° |
| H19 | C18 | O5 | H21 | 168.3° | 60.0° |
| H20 | C18 | O5 | H21 | 73.1° | 59.9° |
| C19 | N6 | H22 | C17 | 180.0° | 180.0° |
| N6 | C19 | C20 | C21 | 125.4° | 118.8° |
| N6 | C19 | C20 | H23 | 118.8° | 120.6° |
| N6 | C19 | C21 | H23 | 117.1° | 119.7° |
| N6 | C19 | C20 | O6 | 159.8° | 20.0° |
| N6 | C19 | C21 | C22 | 62.0° | 80.2° |
| N6 | C19 | C21 | H24 | 176.1° | 159.5° |
| N6 | C19 | C21 | C11 | 61.0° | 39.6° |
| N6 | C19 | C20 | N8 | 18.7° | 160.0° |
| H22 | N6 | C19 | C20 | 103.0° | 103.6° |
| H22 | N6 | C19 | C21 | 22.1° | 16.1° |
| H22 | N6 | C19 | H23 | 138.6° | 135.9° |
| C20 | C19 | C21 | H23 | 115.8° | 120.6° |
| C19 | C20 | O6 | N8 | 178.4° | 179.9° |
| C20 | C19 | C21 | C22 | 65.1° | 39.5° |
| C20 | C19 | C21 | H24 | 56.8° | 80.8° |
| C19 | C20 | N8 | C23 | 178.0° | 180.0° |
| C19 | C20 | N8 | H27 | 1.9° | 0.0° |
| C20 | C19 | C21 | C11 | 171.9° | 159.3° |
| C20 | C19 | N6 | C17 | 76.9° | 76.4° |
| C21 | C19 | C20 | O6 | 74.8° | 98.7° |
| C19 | C21 | C22 | H24 | 121.7° | 120.3° |
| C19 | C21 | C22 | C11 | 117.3° | 119.4° |
| C19 | C21 | H24 | C11 | 111.5° | 119.4° |
| C19 | C21 | C22 | O7 | 36.7° | 0.6° |
| C19 | C21 | C22 | N7 | 146.0° | 179.4° |
| C21 | C19 | N6 | C17 | 157.9° | 163.9° |
| C21 | C19 | C20 | N8 | 106.7° | 81.2° |
| H23 | C19 | C20 | O6 | 41.0° | 140.7° |
| H23 | C19 | C21 | C22 | 179.1° | 160.1° |
| H23 | C19 | C21 | H24 | 59.0° | 39.7° |
| H23 | C19 | C21 | C11 | 56.1° | 80.1° |
| H23 | C19 | N6 | C17 | 41.4° | 44.2° |
| H23 | C19 | C20 | N8 | 137.5° | 39.4° |
| O6 | C20 | N8 | C23 | 0.4° | 0.0° |
| O6 | C20 | N8 | H27 | 179.6° | 180.0° |
| C22 | C21 | H24 | C11 | 123.7° | 120.3° |
| C21 | C22 | O7 | N7 | 177.2° | 179.9° |
| C21 | C22 | N7 | H25 | 177.3° | 0.1° |
| C21 | C22 | N7 | H26 | 2.8° | 180.0° |
| H24 | C21 | C22 | O7 | 158.4° | 119.7° |
| H24 | C21 | C22 | N7 | 24.3° | 60.4° |
| O7 | C22 | N7 | H25 | 0.0° | 180.0° |
| O7 | C22 | N7 | H26 | 180.0° | 0.1° |
| O7 | C22 | C21 | C11 | 80.6° | 120.0° |
| C22 | N7 | H25 | H26 | 180.0° | 179.9° |
| N7 | C22 | C21 | C11 | 96.7° | 60.0° |
| C23 | N8 | H27 | C20 | 180.0° | 180.0° |
| N8 | C23 | C24 | C25 | 124.5° | 120.0° |
| N8 | C23 | C24 | H28 | 117.1° | 120.0° |
| N8 | C23 | C25 | H28 | 119.6° | 120.1° |
| N8 | C23 | C24 | O8 | 129.4° | 26.7° |
| N8 | C23 | C25 | C26 | 177.0° | 67.3° |
| N8 | C23 | C25 | C27 | 59.6° | 52.6° |
| N8 | C23 | C25 | H29 | 58.8° | 172.7° |
| N8 | C23 | C24 | N9 | 49.2° | 153.3° |
| H27 | N8 | C23 | C24 | 93.7° | 25.0° |
| H27 | N8 | C23 | C25 | 30.6° | 95.0° |
| H27 | N8 | C23 | H28 | 149.7° | 145.0° |
| C24 | C23 | C25 | H28 | 118.5° | 120.0° |
| C23 | C24 | O8 | N9 | 178.5° | 180.0° |
| C24 | C23 | C25 | C26 | 55.1° | 172.7° |
| C24 | C23 | C25 | C27 | 178.6° | 67.3° |
| C24 | C23 | C25 | H29 | 63.1° | 52.8° |
| C23 | C24 | N9 | C28 | 175.9° | 177.4° |
| C23 | C24 | N9 | H36 | 4.1° | 2.6° |
| C24 | C23 | N8 | C20 | 86.3° | 155.0° |
| C25 | C23 | C24 | O8 | 106.1° | 93.2° |
| C23 | C25 | C26 | C27 | 123.1° | 120.0° |
| C23 | C25 | C26 | H29 | 118.3° | 120.0° |
| C23 | C25 | C27 | H29 | 118.4° | 120.0° |
| C23 | C25 | C26 | H30 | 180.0° | 65.4° |
| C23 | C25 | C26 | H31 | 60.0° | 174.6° |
| C23 | C25 | C26 | H32 | 60.0° | 54.5° |
| C23 | C25 | C27 | H33 | 180.0° | 69.3° |
| C23 | C25 | C27 | H34 | 60.0° | 170.7° |
| C23 | C25 | C27 | H35 | 60.0° | 50.7° |
| C25 | C23 | N8 | C20 | 149.4° | 85.0° |
| C25 | C23 | C24 | N9 | 75.3° | 86.7° |
| H28 | C23 | C24 | O8 | 12.3° | 146.7° |
| H28 | C23 | C25 | C26 | 63.4° | 52.7° |
| H28 | C23 | C25 | C27 | 60.0° | 172.7° |
| H28 | C23 | C25 | H29 | 178.4° | 67.2° |
| H28 | C23 | N8 | C20 | 30.3° | 35.0° |
| H28 | C23 | C24 | N9 | 166.3° | 33.3° |
| O8 | C24 | N9 | C28 | 2.7° | 2.6° |
| O8 | C24 | N9 | H36 | 177.3° | 177.5° |
| C26 | C25 | C27 | H29 | 118.6° | 120.0° |
| C25 | C26 | H30 | H31 | 120.0° | 120.0° |
| C25 | C26 | H30 | H32 | 120.0° | 120.0° |
| C25 | C26 | H31 | H32 | 120.0° | 120.0° |
| C26 | C25 | C27 | H33 | 57.0° | 170.7° |
| C26 | C25 | C27 | H34 | 63.1° | 50.7° |
| C26 | C25 | C27 | H35 | 177.0° | 69.3° |
| C27 | C25 | C26 | H30 | 56.9° | 54.6° |
| C27 | C25 | C26 | H31 | 176.9° | 65.4° |
| C27 | C25 | C26 | H32 | 63.1° | 174.5° |
| C25 | C27 | H33 | H34 | 120.0° | 120.0° |
| C25 | C27 | H33 | H35 | 120.0° | 120.0° |
| C25 | C27 | H34 | H35 | 120.0° | 120.0° |
| H29 | C25 | C26 | H30 | 61.7° | 174.6° |
| H29 | C25 | C26 | H31 | 58.3° | 54.6° |
| H29 | C25 | C26 | H32 | 178.3° | 65.5° |
| H29 | C25 | C27 | H33 | 61.6° | 50.7° |
| H29 | C25 | C27 | H34 | 178.3° | 69.3° |
| H29 | C25 | C27 | H35 | 58.4° | 170.7° |
| H30 | C26 | H31 | H32 | 120.0° | 119.9° |
| H33 | C27 | H34 | H35 | 120.0° | 120.0° |
| C28 | N9 | H36 | C24 | 180.0° | 179.9° |
| N9 | C28 | C29 | C30 | 126.8° | 120.3° |
| N9 | C28 | C29 | H37 | 118.0° | 120.5° |
| N9 | C28 | C30 | H37 | 117.4° | 119.7° |
| N9 | C28 | C29 | O9 | 60.2° | 166.6° |
| N9 | C28 | C30 | C31 | 171.7° | 77.5° |
| N9 | C28 | C30 | H38 | 67.7° | 162.6° |
| N9 | C28 | C30 | H39 | 51.1° | 42.2° |
| N9 | C28 | C29 | N12 | 124.5° | 13.2° |
| H36 | N9 | C28 | C29 | 22.2° | 94.7° |
| H36 | N9 | C28 | C30 | 103.4° | 25.7° |
| H36 | N9 | C28 | H37 | 139.8° | 145.1° |
| C29 | C28 | C30 | H37 | 115.2° | 119.1° |
| C28 | C29 | O9 | N12 | 175.0° | 179.8° |
| C29 | C28 | C30 | C31 | 44.3° | 43.7° |
| C29 | C28 | C30 | H38 | 164.9° | 76.2° |
| C29 | C28 | C30 | H39 | 76.3° | 163.4° |
| C28 | C29 | N12 | C34 | 173.6° | 175.0° |
| C28 | C29 | N12 | H43 | 6.4° | 4.7° |
| C29 | C28 | N9 | C24 | 157.8° | 85.2° |
| C30 | C28 | C29 | O9 | 66.6° | 46.3° |
| C28 | C30 | C31 | H38 | 120.6° | 119.6° |
| C28 | C30 | C31 | H39 | 120.6° | 119.5° |
| C28 | C30 | H38 | H39 | 118.2° | 120.0° |
| C28 | C30 | C31 | N10 | 88.0° | 98.7° |
| C28 | C30 | C31 | C32 | 89.4° | 84.3° |
| C30 | C28 | N9 | C24 | 76.6° | 154.3° |
| C30 | C28 | C29 | N12 | 108.8° | 133.5° |
| H37 | C28 | C29 | O9 | 178.2° | 72.9° |
| H37 | C28 | C30 | C31 | 70.9° | 162.8° |
| H37 | C28 | C30 | H38 | 49.7° | 42.9° |
| H37 | C28 | C30 | H39 | 168.5° | 77.4° |
| H37 | C28 | N9 | C24 | 40.2° | 34.9° |
| H37 | C28 | C29 | N12 | 6.4° | 107.3° |
| O9 | C29 | N12 | C34 | 1.6° | 5.3° |
| O9 | C29 | N12 | H43 | 178.4° | 175.1° |
| C31 | C30 | H38 | H39 | 118.2° | 120.9° |
| C30 | C31 | N10 | C32 | 177.9° | 177.5° |
| C30 | C31 | N10 | C33 | 177.8° | 177.9° |
| C30 | C31 | N10 | H40 | 2.2° | 2.2° |
| C30 | C31 | C32 | N11 | 177.5° | 173.5° |
| C30 | C31 | C32 | H41 | 2.5° | 7.2° |
| H38 | C30 | C31 | N10 | 32.6° | 141.7° |
| H38 | C30 | C31 | C32 | 150.0° | 35.3° |
| H39 | C30 | C31 | N10 | 151.4° | 20.8° |
| H39 | C30 | C31 | C32 | 31.2° | 156.2° |
| C31 | N10 | C33 | H40 | 180.0° | 179.9° |
| N10 | C31 | C32 | N11 | 0.2° | 9.0° |
| N10 | C31 | C32 | H41 | 179.8° | 170.3° |
| C31 | N10 | C33 | N11 | 0.1° | 1.8° |
| C31 | N10 | C33 | H42 | 180.0° | 178.1° |
| C32 | C31 | N10 | C33 | 0.1° | 4.6° |
| C32 | C31 | N10 | H40 | 179.9° | 175.2° |
| C31 | C32 | N11 | H41 | 180.0° | 179.3° |
| C31 | C32 | N11 | C33 | 0.1° | 10.1° |
| C31 | C32 | N11 | C39 | 156.4° | 165.7° |
| N10 | C33 | N11 | C32 | 0.0° | 7.4° |
| N10 | C33 | N11 | H42 | 180.0° | 179.9° |
| N10 | C33 | N11 | C39 | 160.3° | 168.3° |
| H40 | N10 | C33 | N11 | 179.9° | 178.3° |
| H40 | N10 | C33 | H42 | 0.0° | 1.8° |
| C32 | N11 | C33 | C39 | 160.4° | 175.7° |
| C32 | N11 | C33 | H42 | 179.9° | 172.5° |
| C32 | N11 | C39 | C37 | 75.8° | 76.9° |
| C32 | N11 | C39 | C40 | 143.6° | 43.4° |
| C32 | N11 | C39 | H50 | 33.3° | 164.3° |
| H41 | C32 | N11 | C33 | 179.9° | 169.2° |
| H41 | C32 | N11 | C39 | 23.6° | 15.0° |
| C33 | N11 | C39 | C37 | 78.7° | 98.0° |
| C33 | N11 | C39 | C40 | 61.8° | 141.7° |
| C33 | N11 | C39 | H50 | 172.1° | 20.8° |
| H42 | C33 | N11 | C39 | 19.7° | 11.8° |
| C34 | N12 | H43 | C29 | 180.0° | 179.7° |
| N12 | C34 | C35 | C36 | 118.5° | 126.9° |
| N12 | C34 | C35 | H44 | 118.7° | 116.6° |
| N12 | C34 | C36 | H44 | 123.3° | 118.1° |
| N12 | C34 | C35 | O10 | 88.0° | 139.0° |
| N12 | C34 | C36 | O11 | 168.7° | 65.0° |
| N12 | C34 | C36 | H45 | 70.9° | 55.0° |
| N12 | C34 | C36 | H46 | 48.3° | 175.0° |
| N12 | C34 | C35 | N13 | 87.5° | 42.9° |
| H43 | N12 | C34 | C35 | 68.4° | 97.8° |
| H43 | N12 | C34 | C36 | 51.0° | 136.5° |
| H43 | N12 | C34 | H44 | 173.7° | 18.5° |
| C35 | C34 | C36 | H44 | 122.7° | 116.3° |
| C34 | C35 | O10 | N13 | 175.3° | 178.1° |
| C35 | C34 | C36 | O11 | 54.7° | 169.4° |
| C35 | C34 | C36 | H45 | 175.1° | 70.6° |
| C35 | C34 | C36 | H46 | 65.6° | 49.4° |
| C34 | C35 | N13 | C37 | 173.5° | 164.6° |
| C34 | C35 | N13 | H48 | 6.5° | 17.8° |
| C35 | C34 | N12 | C29 | 111.7° | 82.5° |
| C36 | C34 | C35 | O10 | 30.5° | 94.2° |
| C34 | C36 | O11 | H45 | 120.4° | 120.0° |
| C34 | C36 | O11 | H46 | 120.4° | 120.0° |
| C34 | C36 | H45 | H46 | 118.8° | 120.0° |
| C34 | C36 | O11 | H47 | 180.0° | 180.0° |
| C36 | C34 | N12 | C29 | 129.0° | 43.2° |
| C36 | C34 | C35 | N13 | 154.0° | 83.9° |
| H44 | C34 | C35 | O10 | 153.3° | 22.3° |
| H44 | C34 | C36 | O11 | 68.0° | 53.1° |
| H44 | C34 | C36 | H45 | 52.4° | 173.1° |
| H44 | C34 | C36 | H46 | 171.7° | 66.9° |
| H44 | C34 | N12 | C29 | 6.2° | 161.2° |
| H44 | C34 | C35 | N13 | 31.3° | 159.6° |
| O10 | C35 | N13 | C37 | 1.9° | 17.3° |
| O10 | C35 | N13 | H48 | 178.1° | 160.2° |
| O11 | C36 | H45 | H46 | 118.9° | 119.9° |
| H45 | C36 | O11 | H47 | 59.6° | 60.0° |
| H46 | C36 | O11 | H47 | 59.7° | 60.0° |
| C37 | N13 | H48 | C35 | 180.0° | 177.5° |
| N13 | C37 | C38 | C39 | 123.4° | 118.7° |
| N13 | C37 | C38 | H49 | 120.0° | 122.0° |
| N13 | C37 | C39 | H49 | 117.1° | 120.5° |
| N13 | C37 | C38 | O12 | 68.6° | 19.9° |
| N13 | C37 | C39 | C40 | 178.1° | 81.4° |
| N13 | C37 | C39 | H50 | 69.9° | 158.5° |
| N13 | C37 | C39 | N11 | 40.0° | 39.2° |
| N13 | C37 | C38 | N14 | 118.4° | 160.0° |
| H48 | N13 | C37 | C38 | 73.6° | 131.5° |
| H48 | N13 | C37 | C39 | 50.2° | 13.1° |
| H48 | N13 | C37 | H49 | 166.7° | 106.9° |
| C38 | C37 | C39 | H49 | 116.6° | 119.5° |
| C37 | C38 | O12 | N14 | 172.7° | 179.9° |
| C38 | C37 | C39 | C40 | 51.8° | 158.7° |
| C38 | C37 | C39 | H50 | 56.4° | 38.5° |
| C37 | C38 | N14 | C46 | 179.5° | 180.0° |
| C37 | C38 | N14 | H56 | 0.5° | 0.1° |
| C38 | C37 | C39 | N11 | 166.3° | 80.7° |
| C38 | C37 | N13 | C35 | 106.4° | 51.0° |
| C39 | C37 | C38 | O12 | 54.9° | 98.8° |
| C37 | C39 | C40 | H50 | 108.1° | 119.7° |
| C37 | C39 | C40 | N11 | 141.0° | 119.5° |
| C37 | C39 | H50 | N11 | 119.6° | 118.5° |
| C37 | C39 | C40 | C41 | 44.2° | 135.4° |
| C37 | C39 | C40 | C42 | 142.0° | 44.3° |
| C39 | C37 | N13 | C35 | 129.8° | 169.4° |
| C39 | C37 | C38 | N14 | 118.1° | 81.3° |
| H49 | C37 | C38 | O12 | 171.4° | 141.9° |
| H49 | C37 | C39 | C40 | 64.8° | 39.2° |
| H49 | C37 | C39 | H50 | 173.0° | 81.0° |
| H49 | C37 | C39 | N11 | 77.1° | 159.8° |
| H49 | C37 | N13 | C35 | 13.3° | 70.6° |
| H49 | C37 | C38 | N14 | 1.6° | 38.0° |
| O12 | C38 | N14 | C46 | 6.7° | 0.0° |
| O12 | C38 | N14 | H56 | 173.3° | 180.0° |
| C40 | C39 | H50 | N11 | 122.3° | 121.3° |
| C39 | C40 | C41 | C42 | 174.1° | 179.7° |
| C39 | C40 | C41 | C43 | 179.9° | 180.0° |
| C39 | C40 | C41 | H51 | 0.1° | 0.1° |
| C39 | C40 | C42 | C44 | 177.6° | 180.0° |
| C39 | C40 | C42 | H52 | 2.4° | 0.1° |
| H50 | C39 | C40 | C41 | 152.2° | 15.6° |
| H50 | C39 | C40 | C42 | 33.9° | 164.0° |
| C40 | C41 | C43 | H51 | 180.0° | 179.9° |
| C41 | C40 | C42 | C44 | 3.6° | 0.3° |
| C41 | C40 | C42 | H52 | 176.5° | 179.7° |
| C40 | C41 | C43 | C45 | 5.8° | 0.0° |
| C40 | C41 | C43 | H53 | 174.2° | 180.0° |
| C41 | C40 | C39 | N11 | 96.8° | 105.2° |
| C42 | C40 | C41 | C43 | 6.0° | 0.3° |
| C42 | C40 | C41 | H51 | 174.0° | 179.7° |
| C40 | C42 | C44 | H52 | 180.0° | 179.9° |
| C40 | C42 | C44 | C45 | 0.9° | 0.0° |
| C40 | C42 | C44 | H54 | 179.1° | 179.9° |
| C42 | C40 | C39 | N11 | 77.1° | 75.2° |
| C41 | C43 | C45 | H53 | 180.0° | 180.0° |
| C41 | C43 | C45 | C44 | 2.9° | 0.3° |
| C41 | C43 | C45 | O13 | 178.6° | 180.0° |
| H51 | C41 | C43 | C45 | 174.2° | 180.0° |
| H51 | C41 | C43 | H53 | 5.8° | 0.1° |
| C42 | C44 | C45 | C43 | 0.5° | 0.3° |
| C42 | C44 | C45 | H54 | 180.0° | 179.9° |
| C42 | C44 | C45 | O13 | 179.0° | 180.0° |
| H52 | C42 | C44 | C45 | 179.1° | 180.0° |
| H52 | C42 | C44 | H54 | 0.9° | 0.1° |
| C43 | C45 | C44 | O13 | 178.5° | 179.7° |
| C43 | C45 | C44 | H54 | 179.5° | 179.6° |
| C43 | C45 | O13 | H55 | 180.0° | 90.1° |
| H53 | C43 | C45 | C44 | 177.1° | 179.7° |
| H53 | C43 | C45 | O13 | 1.4° | 0.0° |
| C44 | C45 | O13 | H55 | 1.5° | 89.7° |
| H54 | C44 | C45 | O13 | 1.0° | 0.1° |
| C46 | N14 | H56 | C38 | 180.0° | 180.0° |
| N14 | C46 | C47 | C48 | 125.8° | 120.0° |
| N14 | C46 | C47 | H57 | 116.9° | 120.0° |
| N14 | C46 | C48 | H57 | 118.1° | 120.1° |
| N14 | C46 | C47 | O14 | 39.5° | 0.0° |
| N14 | C46 | C48 | C49 | 49.2° | 65.0° |
| N14 | C46 | C48 | H58 | 170.2° | 55.0° |
| N14 | C46 | C48 | H59 | 71.8° | 174.9° |
| N14 | C46 | C47 | N18 | 138.5° | 180.0° |
| H56 | N14 | C46 | C47 | 70.3° | 25.0° |
| H56 | N14 | C46 | C48 | 56.0° | 95.0° |
| H56 | N14 | C46 | H57 | 173.4° | 144.9° |
| C47 | C46 | C48 | H57 | 117.4° | 120.0° |
| C46 | C47 | O14 | N18 | 177.9° | 180.0° |
| C47 | C46 | C48 | C49 | 75.3° | 175.0° |
| C47 | C46 | C48 | H58 | 45.8° | 65.0° |
| C47 | C46 | C48 | H59 | 163.7° | 55.0° |
| C46 | C47 | N18 | C52 | 177.1° | 179.9° |
| C46 | C47 | N18 | H69 | 2.9° | 0.0° |
| C47 | C46 | N14 | C38 | 109.7° | 155.0° |
| C48 | C46 | C47 | O14 | 86.3° | 120.0° |
| C46 | C48 | C49 | H58 | 121.1° | 120.0° |
| C46 | C48 | C49 | H59 | 121.0° | 120.0° |
| C46 | C48 | H58 | H59 | 116.8° | 120.0° |
| C46 | C48 | C49 | C50 | 84.5° | 180.0° |
| C46 | C48 | C49 | H60 | 36.3° | 60.0° |
| C46 | C48 | C49 | H61 | 154.6° | 59.9° |
| C48 | C46 | N14 | C38 | 124.0° | 85.0° |
| C48 | C46 | C47 | N18 | 95.7° | 60.0° |
| H57 | C46 | C47 | O14 | 156.4° | 120.0° |
| H57 | C46 | C48 | C49 | 167.3° | 55.1° |
| H57 | C46 | C48 | H58 | 71.7° | 175.1° |
| H57 | C46 | C48 | H59 | 46.3° | 65.0° |
| H57 | C46 | N14 | C38 | 6.6° | 35.0° |
| H57 | C46 | C47 | N18 | 21.6° | 60.0° |
| O14 | C47 | N18 | C52 | 0.8° | 0.0° |
| O14 | C47 | N18 | H69 | 179.1° | 179.9° |
| C49 | C48 | H58 | H59 | 116.7° | 120.1° |
| C48 | C49 | C50 | H60 | 120.9° | 120.0° |
| C48 | C49 | C50 | H61 | 120.8° | 120.1° |
| C48 | C49 | H60 | H61 | 117.4° | 120.0° |
| C48 | C49 | C50 | N15 | 157.6° | 180.0° |
| C48 | C49 | C50 | H62 | 37.1° | 60.0° |
| C48 | C49 | C50 | H63 | 82.0° | 59.9° |
| H58 | C48 | C49 | C50 | 154.4° | 60.0° |
| H58 | C48 | C49 | H60 | 84.7° | 180.0° |
| H58 | C48 | C49 | H61 | 33.6° | 60.0° |
| H59 | C48 | C49 | C50 | 36.5° | 60.0° |
| H59 | C48 | C49 | H60 | 157.3° | 60.0° |
| H59 | C48 | C49 | H61 | 84.4° | 179.9° |
| C50 | C49 | H60 | H61 | 117.4° | 120.0° |
| C49 | C50 | N15 | H62 | 120.4° | 120.0° |
| C49 | C50 | N15 | H63 | 120.4° | 120.0° |
| C49 | C50 | H62 | H63 | 118.7° | 119.9° |
| C49 | C50 | N15 | C51 | 165.3° | 180.0° |
| C49 | C50 | N15 | H64 | 14.7° | 0.0° |
| H60 | C49 | C50 | N15 | 81.6° | 60.0° |
| H60 | C49 | C50 | H62 | 158.0° | 180.0° |
| H60 | C49 | C50 | H63 | 38.8° | 60.1° |
| H61 | C49 | C50 | N15 | 36.7° | 59.9° |
| H61 | C49 | C50 | H62 | 83.7° | 60.1° |
| H61 | C49 | C50 | H63 | 157.1° | 180.0° |
| N15 | C50 | H62 | H63 | 118.6° | 120.1° |
| C50 | N15 | C51 | H64 | 180.0° | 179.9° |
| C50 | N15 | C51 | N16 | 179.7° | 0.0° |
| C50 | N15 | C51 | N17 | 0.6° | 180.0° |
| H62 | C50 | N15 | C51 | 74.3° | 60.0° |
| H62 | C50 | N15 | H64 | 105.7° | 119.9° |
| H63 | C50 | N15 | C51 | 44.8° | 60.0° |
| H63 | C50 | N15 | H64 | 135.2° | 120.0° |
| N15 | C51 | N16 | N17 | 179.7° | 180.0° |
| N15 | C51 | N16 | H65 | 179.7° | 0.1° |
| N15 | C51 | N16 | H66 | 0.3° | 180.0° |
| N15 | C51 | N17 | H67 | 179.7° | 180.0° |
| N15 | C51 | N17 | H68 | 0.3° | 0.0° |
| H64 | N15 | C51 | N16 | 0.3° | 180.0° |
| H64 | N15 | C51 | N17 | 179.4° | 0.0° |
| C51 | N16 | H65 | H66 | 180.0° | 180.0° |
| N16 | C51 | N17 | H67 | 0.0° | 0.0° |
| N16 | C51 | N17 | H68 | 180.0° | 180.0° |
| N17 | C51 | N16 | H65 | 0.0° | 180.0° |
| N17 | C51 | N16 | H66 | 180.0° | 0.0° |
| C51 | N17 | H67 | H68 | 180.0° | 180.0° |
| C52 | N18 | H69 | C47 | 180.0° | 179.9° |
| N18 | C52 | C53 | C54 | 124.1° | 120.0° |
| N18 | C52 | C53 | H70 | 119.2° | 120.0° |
| N18 | C52 | C54 | H70 | 117.1° | 120.0° |
| N18 | C52 | C53 | O15 | 2.7° | 0.0° |
| N18 | C52 | C53 | O16 | 176.4° | 180.0° |
| N18 | C52 | C54 | C55 | 44.4° | 65.0° |
| N18 | C52 | C54 | H71 | 165.2° | 55.0° |
| N18 | C52 | C54 | H72 | 76.5° | 174.9° |
| H69 | N18 | C52 | C53 | 38.0° | 95.1° |
| H69 | N18 | C52 | C54 | 86.9° | 24.9° |
| H69 | N18 | C52 | H70 | 156.6° | 145.0° |
| C53 | C52 | C54 | H70 | 116.7° | 120.0° |
| C52 | C53 | O15 | O16 | 179.0° | 180.0° |
| C53 | C52 | C54 | C55 | 81.9° | 175.0° |
| C53 | C52 | C54 | H71 | 39.0° | 65.0° |
| C53 | C52 | C54 | H72 | 157.2° | 54.9° |
| C52 | C53 | O16 | H78 | 179.0° | 180.0° |
| C53 | C52 | N18 | C47 | 142.0° | 85.0° |
| C54 | C52 | C53 | O15 | 121.4° | 120.0° |
| C54 | C52 | C53 | O16 | 59.5° | 60.0° |
| C52 | C54 | C55 | H71 | 120.9° | 120.1° |
| C52 | C54 | C55 | H72 | 120.9° | 120.0° |
| C52 | C54 | H71 | H72 | 117.3° | 119.9° |
| C52 | C54 | C55 | C56 | 87.8° | 90.0° |
| C52 | C54 | C55 | C57 | 91.8° | 90.2° |
| C54 | C52 | N18 | C47 | 93.1° | 155.0° |
| H70 | C52 | C53 | O15 | 121.8° | 120.0° |
| H70 | C52 | C53 | O16 | 57.2° | 60.0° |
| H70 | C52 | C54 | C55 | 161.4° | 55.0° |
| H70 | C52 | C54 | H71 | 77.7° | 175.0° |
| H70 | C52 | C54 | H72 | 40.6° | 65.1° |
| H70 | C52 | N18 | C47 | 23.4° | 34.9° |
| O15 | C53 | O16 | H78 | 0.0° | 0.0° |
| C55 | C54 | H71 | H72 | 117.4° | 120.0° |
| C54 | C55 | C56 | C57 | 179.6° | 179.8° |
| C54 | C55 | C56 | C58 | 179.8° | 180.0° |
| C54 | C55 | C56 | H73 | 0.2° | 0.1° |
| C54 | C55 | C57 | C59 | 178.1° | 180.0° |
| C54 | C55 | C57 | H74 | 1.9° | 0.1° |
| H71 | C54 | C55 | C56 | 33.1° | 30.1° |
| H71 | C54 | C55 | C57 | 147.3° | 149.7° |
| H72 | C54 | C55 | C56 | 151.4° | 150.0° |
| H72 | C54 | C55 | C57 | 29.0° | 29.8° |
| C55 | C56 | C58 | H73 | 180.0° | 180.0° |
| C56 | C55 | C57 | C59 | 2.3° | 0.2° |
| C56 | C55 | C57 | H74 | 177.7° | 179.7° |
| C55 | C56 | C58 | C60 | 0.0° | 0.0° |
| C55 | C56 | C58 | H75 | 180.0° | 180.0° |
| C57 | C55 | C56 | C58 | 0.5° | 0.2° |
| C57 | C55 | C56 | H73 | 179.5° | 179.8° |
| C55 | C57 | C59 | H74 | 180.0° | 179.9° |
| C55 | C57 | C59 | C60 | 3.6° | 0.0° |
| C55 | C57 | C59 | H76 | 176.4° | 179.9° |
| C56 | C58 | C60 | H75 | 180.0° | 180.0° |
| C56 | C58 | C60 | C59 | 1.2° | 0.2° |
| C56 | C58 | C60 | H77 | 178.8° | 180.0° |
| H73 | C56 | C58 | C60 | 179.9° | 180.0° |
| H73 | C56 | C58 | H75 | 0.0° | 0.0° |
| C57 | C59 | C60 | C58 | 2.9° | 0.2° |
| C57 | C59 | C60 | H76 | 180.0° | 179.9° |
| C57 | C59 | C60 | H77 | 177.1° | 180.0° |
| H74 | C57 | C59 | C60 | 176.5° | 179.9° |
| H74 | C57 | C59 | H76 | 3.5° | 0.0° |
| C58 | C60 | C59 | H77 | 180.0° | 179.8° |
| C58 | C60 | C59 | H76 | 177.1° | 179.7° |
| H75 | C58 | C60 | C59 | 178.8° | 179.8° |
| H75 | C58 | C60 | H77 | 1.2° | 0.0° |
| H76 | C59 | C60 | H77 | 2.9° | 0.1° |
