PRD_000007
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.44Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.55Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | O2 | sing | 1.45Å | 1.48Å | |
| 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 | 1.47Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | C9 | sing | 1.51Å | 1.53Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.24Å | |
| N3 | C10 | sing | 1.47Å | 1.46Å | |
| N3 | C14 | sing | 1.46Å | 1.45Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | O4 | doub | 1.21Å | 1.24Å | |
| C12 | C13 | sing | 1.51Å | 1.49Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.48Å | |
| C13 | O5 | doub | 1.21Å | 1.19Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| N4 | C15 | sing | 1.48Å | 1.46Å | |
| N4 | C17 | sing | 1.46Å | 1.48Å | |
| C15 | C16 | sing | 1.51Å | 1.54Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | O6 | doub | 1.21Å | 1.23Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| N5 | C18 | sing | 1.46Å | 1.45Å | |
| N5 | C19 | sing | 1.48Å | 1.48Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C19 | C23 | sing | 1.51Å | 1.53Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | O7 | doub | 1.21Å | 1.20Å | |
| C24 | C25 | sing | 1.47Å | 1.49Å | |
| C24 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C34 | sing | 1.47Å | 1.44Å | Aromatic |
| C25 | O8 | doub | 1.22Å | 1.23Å | |
| C26 | N6 | sing | 1.38Å | 1.33Å | |
| C26 | C27 | sing | 1.47Å | 1.51Å | Aromatic |
| N6 | H37 | sing | 0.97Å | 1.00Å | |
| N6 | H38 | sing | 0.97Å | 1.00Å | |
| C27 | O9 | doub | 1.22Å | 1.23Å | |
| C27 | C28 | sing | 1.40Å | 1.45Å | Aromatic |
| C28 | C35 | doub | 1.38Å | 1.36Å | Aromatic |
| C28 | C38 | sing | 1.51Å | 1.52Å | |
| O10 | C35 | sing | 1.35Å | 1.37Å | Aromatic |
| O10 | C36 | sing | 1.35Å | 1.37Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C39 | sing | 1.51Å | 1.52Å | |
| C30 | C31 | sing | 1.39Å | 1.41Å | Aromatic |
| C30 | H39 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | H40 | sing | 1.08Å | 1.08Å | |
| C32 | C33 | sing | 1.48Å | 1.51Å | |
| C32 | C37 | sing | 1.42Å | 1.40Å | Aromatic |
| C33 | O11 | doub | 1.22Å | 1.24Å | |
| N7 | C34 | doub | 1.32Å | 1.32Å | Aromatic |
| N7 | C37 | sing | 1.34Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.47Å | 1.47Å | Aromatic |
| C36 | C37 | doub | 1.41Å | 1.40Å | Aromatic |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C38 | H42 | sing | 1.09Å | 1.10Å | |
| C38 | H43 | sing | 1.09Å | 1.10Å | |
| C39 | H44 | sing | 1.09Å | 1.10Å | |
| C39 | H45 | sing | 1.09Å | 1.10Å | |
| C39 | H46 | sing | 1.09Å | 1.10Å | |
| N8 | C40 | sing | 1.47Å | 1.46Å | |
| N8 | H47 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | sing | 1.51Å | 1.52Å | |
| C40 | C42 | sing | 1.53Å | 1.54Å | |
| C40 | H48 | sing | 1.09Å | 1.10Å | |
| C41 | O12 | doub | 1.21Å | 1.24Å | |
| C42 | O13 | sing | 1.45Å | 1.45Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C42 | H49 | sing | 1.09Å | 1.10Å | |
| C43 | H50 | sing | 1.09Å | 1.10Å | |
| C43 | H51 | sing | 1.09Å | 1.10Å | |
| C43 | H52 | sing | 1.09Å | 1.10Å | |
| N9 | C44 | sing | 1.48Å | 1.46Å | |
| N9 | H53 | sing | 0.97Å | 1.00Å | |
| C44 | C45 | sing | 1.53Å | 1.55Å | |
| C44 | C48 | sing | 1.51Å | 1.53Å | |
| C44 | H54 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.53Å | 1.54Å | |
| C45 | C47 | sing | 1.53Å | 1.53Å | |
| C45 | H55 | sing | 1.09Å | 1.10Å | |
| C46 | H56 | sing | 1.09Å | 1.10Å | |
| C46 | H57 | sing | 1.09Å | 1.10Å | |
| C46 | H58 | sing | 1.09Å | 1.10Å | |
| C47 | H59 | sing | 1.09Å | 1.10Å | |
| C47 | H60 | sing | 1.09Å | 1.10Å | |
| C47 | H61 | sing | 1.09Å | 1.10Å | |
| C48 | O14 | doub | 1.21Å | 1.25Å | |
| N10 | C49 | sing | 1.47Å | 1.46Å | |
| N10 | C53 | sing | 1.46Å | 1.49Å | |
| C49 | C50 | sing | 1.51Å | 1.53Å | |
| C49 | C51 | sing | 1.53Å | 1.55Å | |
| C49 | H62 | sing | 1.09Å | 1.10Å | |
| C50 | O15 | doub | 1.21Å | 1.22Å | |
| C51 | C52 | sing | 1.54Å | 1.50Å | |
| C51 | H63 | sing | 1.09Å | 1.10Å | |
| C51 | H64 | sing | 1.09Å | 1.10Å | |
| C52 | C53 | sing | 1.53Å | 1.52Å | |
| C52 | H65 | sing | 1.09Å | 1.10Å | |
| C52 | H66 | sing | 1.09Å | 1.10Å | |
| C53 | H67 | sing | 1.09Å | 1.10Å | |
| C53 | H68 | sing | 1.09Å | 1.10Å | |
| N11 | C54 | sing | 1.48Å | 1.46Å | |
| N11 | C56 | sing | 1.46Å | 1.46Å | |
| C54 | C55 | sing | 1.51Å | 1.51Å | |
| C54 | H69 | sing | 1.09Å | 1.10Å | |
| C54 | H70 | sing | 1.09Å | 1.10Å | |
| C55 | O16 | doub | 1.21Å | 1.23Å | |
| C56 | H71 | sing | 1.09Å | 1.10Å | |
| C56 | H72 | sing | 1.09Å | 1.10Å | |
| C56 | H73 | sing | 1.09Å | 1.10Å | |
| N12 | C57 | sing | 1.47Å | 1.49Å | |
| N12 | C58 | sing | 1.48Å | 1.48Å | |
| C57 | H74 | sing | 1.09Å | 1.10Å | |
| C57 | H75 | sing | 1.09Å | 1.10Å | |
| C57 | H76 | sing | 1.09Å | 1.10Å | |
| C58 | C59 | sing | 1.53Å | 1.52Å | |
| C58 | C62 | sing | 1.51Å | 1.53Å | |
| C58 | H77 | sing | 1.09Å | 1.10Å | |
| C59 | C60 | sing | 1.53Å | 1.58Å | |
| C59 | C61 | sing | 1.53Å | 1.48Å | |
| C59 | H78 | sing | 1.09Å | 1.10Å | |
| C60 | H79 | sing | 1.09Å | 1.10Å | |
| C60 | H80 | sing | 1.09Å | 1.10Å | |
| C60 | H81 | sing | 1.09Å | 1.10Å | |
| C61 | H82 | sing | 1.09Å | 1.10Å | |
| C61 | H83 | sing | 1.09Å | 1.10Å | |
| C61 | H84 | sing | 1.09Å | 1.10Å | |
| C62 | O17 | doub | 1.21Å | 1.20Å | |
| C2 | N2 | sing | 1.37Å | 1.34Å | |
| O2 | C23 | sing | 1.34Å | 1.35Å | |
| N1 | C25 | sing | 1.35Å | 1.36Å | |
| C9 | N3 | sing | 1.35Å | 1.35Å | |
| C11 | N4 | sing | 1.37Å | 1.34Å | |
| C16 | N5 | sing | 1.36Å | 1.35Å | |
| C33 | N8 | sing | 1.35Å | 1.34Å | |
| C41 | N9 | sing | 1.37Å | 1.36Å | |
| O13 | C62 | sing | 1.34Å | 1.35Å | |
| C48 | N10 | sing | 1.35Å | 1.33Å | |
| C50 | N11 | sing | 1.37Å | 1.35Å | |
| C55 | N12 | sing | 1.36Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 118.4° | 120.0° |
| N1 | C1 | C2 | 107.9° | 109.4° |
| N1 | C1 | C3 | 114.3° | 109.5° |
| N1 | C1 | H2 | 110.4° | 109.5° |
| C1 | N1 | C25 | 123.2° | 120.0° |
| H1 | N1 | C25 | 118.4° | 120.0° |
| C2 | C1 | C3 | 106.1° | 109.5° |
| C2 | C1 | H2 | 108.9° | 109.5° |
| C1 | C2 | O1 | 121.0° | 120.7° |
| C1 | C2 | N2 | 113.9° | 118.6° |
| C3 | C1 | H2 | 109.0° | 109.5° |
| C1 | C3 | O2 | 105.6° | 109.5° |
| C1 | C3 | C4 | 115.1° | 109.5° |
| C1 | C3 | H3 | 108.9° | 109.5° |
| O1 | C2 | N2 | 124.8° | 120.7° |
| O2 | C3 | C4 | 108.0° | 109.5° |
| O2 | C3 | H3 | 109.8° | 109.5° |
| C3 | O2 | C23 | 115.4° | 117.0° |
| C4 | C3 | H3 | 109.3° | 109.4° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H5 | 109.5° | 109.5° |
| C3 | C4 | H6 | 109.4° | 109.5° |
| H4 | C4 | H5 | 109.4° | 109.5° |
| H4 | C4 | H6 | 109.5° | 109.4° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| C5 | N2 | H7 | 119.0° | 122.9° |
| N2 | C5 | C6 | 110.8° | 109.7° |
| N2 | C5 | C9 | 110.9° | 108.1° |
| N2 | C5 | H8 | 109.3° | 109.8° |
| C5 | N2 | C2 | 121.9° | 114.3° |
| H7 | N2 | C2 | 119.0° | 122.8° |
| C6 | C5 | C9 | 109.0° | 109.7° |
| C6 | C5 | H8 | 108.4° | 109.7° |
| C5 | C6 | C7 | 111.4° | 109.4° |
| C5 | C6 | C8 | 109.5° | 109.5° |
| C5 | C6 | H9 | 108.6° | 109.5° |
| C9 | C5 | H8 | 108.5° | 109.8° |
| C5 | C9 | O3 | 119.8° | 119.9° |
| C5 | C9 | N3 | 118.8° | 120.2° |
| C7 | C6 | C8 | 110.1° | 109.5° |
| C7 | C6 | H9 | 108.5° | 109.4° |
| C6 | C7 | H10 | 109.5° | 109.5° |
| C6 | C7 | H11 | 109.5° | 109.4° |
| C6 | C7 | H12 | 109.4° | 109.5° |
| C8 | C6 | H9 | 108.6° | 109.6° |
| C6 | C8 | H13 | 109.5° | 109.5° |
| C6 | C8 | H14 | 109.5° | 109.5° |
| C6 | C8 | H15 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H10 | C7 | H12 | 109.5° | 109.4° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.4° |
| H13 | C8 | H15 | 109.4° | 109.4° |
| H14 | C8 | H15 | 109.4° | 109.5° |
| O3 | C9 | N3 | 121.3° | 119.9° |
| C10 | N3 | C14 | 112.4° | 108.8° |
| N3 | C10 | C11 | 109.8° | 109.6° |
| N3 | C10 | C12 | 104.2° | 107.5° |
| N3 | C10 | H16 | 111.8° | 109.9° |
| C10 | N3 | C9 | 126.7° | 125.3° |
| N3 | C14 | C13 | 105.5° | 108.1° |
| N3 | C14 | H19 | 110.5° | 109.7° |
| N3 | C14 | H20 | 110.4° | 109.8° |
| C14 | N3 | C9 | 120.7° | 125.9° |
| C11 | C10 | C12 | 109.4° | 109.9° |
| C11 | C10 | H16 | 110.7° | 109.9° |
| C10 | C11 | O4 | 117.9° | 120.7° |
| C10 | C11 | N4 | 119.8° | 118.4° |
| C12 | C10 | H16 | 110.7° | 110.1° |
| C10 | C12 | C13 | 105.5° | 106.4° |
| C10 | C12 | H17 | 110.5° | 110.1° |
| C10 | C12 | H18 | 110.5° | 110.1° |
| O4 | C11 | N4 | 122.2° | 120.9° |
| C13 | C12 | H17 | 110.5° | 110.0° |
| C13 | C12 | H18 | 110.4° | 110.0° |
| C12 | C13 | C14 | 109.5° | 106.7° |
| C12 | C13 | O5 | 124.5° | 126.7° |
| H17 | C12 | H18 | 109.5° | 110.1° |
| C14 | C13 | O5 | 125.9° | 126.6° |
| C13 | C14 | H19 | 110.5° | 109.7° |
| C13 | C14 | H20 | 110.5° | 109.8° |
| H19 | C14 | H20 | 109.5° | 109.7° |
| C15 | N4 | C17 | 116.2° | 122.8° |
| N4 | C15 | C16 | 112.7° | 108.2° |
| N4 | C15 | H21 | 108.6° | 109.7° |
| N4 | C15 | H22 | 108.6° | 109.7° |
| C15 | N4 | C11 | 125.9° | 114.4° |
| N4 | C17 | H23 | 109.5° | 109.5° |
| N4 | C17 | H24 | 109.5° | 109.4° |
| N4 | C17 | H25 | 109.5° | 109.5° |
| C17 | N4 | C11 | 117.6° | 122.8° |
| C16 | C15 | H21 | 108.6° | 109.7° |
| C16 | C15 | H22 | 108.7° | 109.8° |
| C15 | C16 | O6 | 120.9° | 120.5° |
| C15 | C16 | N5 | 117.2° | 119.0° |
| H21 | C15 | H22 | 109.5° | 109.7° |
| O6 | C16 | N5 | 121.9° | 120.5° |
| H23 | C17 | H24 | 109.5° | 109.5° |
| H23 | C17 | H25 | 109.5° | 109.5° |
| H24 | C17 | H25 | 109.5° | 109.5° |
| C18 | N5 | C19 | 117.2° | 122.0° |
| N5 | C18 | H26 | 109.5° | 109.5° |
| N5 | C18 | H27 | 109.5° | 109.5° |
| N5 | C18 | H28 | 109.5° | 109.4° |
| C18 | N5 | C16 | 124.1° | 122.0° |
| N5 | C19 | C20 | 113.5° | 109.6° |
| N5 | C19 | C23 | 111.2° | 108.7° |
| N5 | C19 | H29 | 107.3° | 109.6° |
| C19 | N5 | C16 | 118.4° | 116.0° |
| H26 | C18 | H27 | 109.4° | 109.5° |
| H26 | C18 | H28 | 109.4° | 109.4° |
| H27 | C18 | H28 | 109.5° | 109.5° |
| C20 | C19 | C23 | 111.2° | 109.6° |
| C20 | C19 | H29 | 106.5° | 109.6° |
| C19 | C20 | C21 | 111.0° | 109.5° |
| C19 | C20 | C22 | 109.2° | 109.5° |
| C19 | C20 | H30 | 109.1° | 109.5° |
| C23 | C19 | H29 | 106.7° | 109.8° |
| C19 | C23 | O7 | 125.4° | 120.0° |
| C19 | C23 | O2 | 110.0° | 120.0° |
| C21 | C20 | C22 | 108.7° | 109.4° |
| C21 | C20 | H30 | 109.5° | 109.5° |
| C20 | C21 | H31 | 109.5° | 109.5° |
| C20 | C21 | H32 | 109.5° | 109.5° |
| C20 | C21 | H33 | 109.5° | 109.4° |
| C22 | C20 | H30 | 109.4° | 109.5° |
| C20 | C22 | H34 | 109.5° | 109.5° |
| C20 | C22 | H35 | 109.5° | 109.5° |
| C20 | C22 | H36 | 109.4° | 109.4° |
| H31 | C21 | H32 | 109.5° | 109.5° |
| H31 | C21 | H33 | 109.5° | 109.5° |
| H32 | C21 | H33 | 109.5° | 109.4° |
| H34 | C22 | H35 | 109.5° | 109.5° |
| H34 | C22 | H36 | 109.5° | 109.4° |
| H35 | C22 | H36 | 109.5° | 109.5° |
| O7 | C23 | O2 | 124.4° | 119.9° |
| C25 | C24 | C26 | 119.0° | 120.6° |
| C25 | C24 | C34 | 122.5° | 120.5° |
| C24 | C25 | O8 | 122.0° | 120.0° |
| C24 | C25 | N1 | 116.8° | 120.0° |
| C26 | C24 | C34 | 118.4° | 118.9° |
| C24 | C26 | N6 | 124.7° | 120.0° |
| C24 | C26 | C27 | 121.6° | 119.9° |
| C24 | C34 | N7 | 120.3° | 120.8° |
| C24 | C34 | C35 | 118.0° | 119.4° |
| O8 | C25 | N1 | 120.8° | 120.0° |
| N6 | C26 | C27 | 113.7° | 120.0° |
| C26 | N6 | H37 | 109.5° | 120.0° |
| C26 | N6 | H38 | 109.5° | 120.0° |
| C26 | C27 | O9 | 119.1° | 119.5° |
| C26 | C27 | C28 | 118.3° | 120.9° |
| H37 | N6 | H38 | 109.5° | 120.1° |
| O9 | C27 | C28 | 122.7° | 119.6° |
| C27 | C28 | C35 | 117.7° | 120.9° |
| C27 | C28 | C38 | 119.6° | 119.5° |
| C35 | C28 | C38 | 122.6° | 119.6° |
| C28 | C35 | O10 | 116.8° | 120.8° |
| C28 | C35 | C34 | 125.3° | 120.1° |
| C28 | C38 | H41 | 109.5° | 109.5° |
| C28 | C38 | H42 | 109.4° | 109.4° |
| C28 | C38 | H43 | 109.4° | 109.4° |
| C35 | O10 | C36 | 119.5° | 119.4° |
| O10 | C35 | C34 | 117.9° | 119.2° |
| O10 | C36 | C29 | 116.0° | 119.8° |
| O10 | C36 | C37 | 120.6° | 120.5° |
| C30 | C29 | C36 | 116.5° | 120.4° |
| C30 | C29 | C39 | 123.0° | 119.8° |
| C29 | C30 | C31 | 121.9° | 120.7° |
| C29 | C30 | H39 | 119.1° | 119.6° |
| C36 | C29 | C39 | 120.4° | 119.8° |
| C29 | C36 | C37 | 123.4° | 119.7° |
| C29 | C39 | H44 | 109.5° | 109.5° |
| C29 | C39 | H45 | 109.4° | 109.4° |
| C29 | C39 | H46 | 109.4° | 109.5° |
| C31 | C30 | H39 | 119.0° | 119.6° |
| C30 | C31 | C32 | 120.1° | 120.3° |
| C30 | C31 | H40 | 119.9° | 119.8° |
| C32 | C31 | H40 | 119.9° | 119.9° |
| C31 | C32 | C33 | 116.1° | 120.2° |
| C31 | C32 | C37 | 119.0° | 119.5° |
| C33 | C32 | C37 | 124.8° | 120.2° |
| C32 | C33 | O11 | 118.2° | 120.0° |
| C32 | C33 | N8 | 119.7° | 120.0° |
| C32 | C37 | N7 | 120.7° | 119.8° |
| C32 | C37 | C36 | 118.9° | 119.3° |
| O11 | C33 | N8 | 122.0° | 120.0° |
| C34 | N7 | C37 | 119.1° | 120.3° |
| N7 | C34 | C35 | 121.6° | 119.8° |
| N7 | C37 | C36 | 120.4° | 120.9° |
| H41 | C38 | H42 | 109.5° | 109.5° |
| H41 | C38 | H43 | 109.5° | 109.5° |
| H42 | C38 | H43 | 109.5° | 109.5° |
| H44 | C39 | H45 | 109.5° | 109.5° |
| H44 | C39 | H46 | 109.5° | 109.5° |
| H45 | C39 | H46 | 109.5° | 109.5° |
| C40 | N8 | H47 | 120.1° | 120.0° |
| N8 | C40 | C41 | 111.1° | 109.5° |
| N8 | C40 | C42 | 113.0° | 109.5° |
| N8 | C40 | H48 | 109.1° | 109.4° |
| C40 | N8 | C33 | 119.7° | 120.0° |
| H47 | N8 | C33 | 120.1° | 120.0° |
| C41 | C40 | C42 | 107.1° | 109.5° |
| C41 | C40 | H48 | 108.3° | 109.5° |
| C40 | C41 | O12 | 124.3° | 120.7° |
| C40 | C41 | N9 | 112.9° | 118.6° |
| C42 | C40 | H48 | 108.1° | 109.5° |
| C40 | C42 | O13 | 106.5° | 109.6° |
| C40 | C42 | C43 | 115.4° | 109.5° |
| C40 | C42 | H49 | 108.0° | 109.4° |
| O12 | C41 | N9 | 122.6° | 120.6° |
| O13 | C42 | C43 | 109.3° | 109.5° |
| O13 | C42 | H49 | 109.2° | 109.5° |
| C42 | O13 | C62 | 117.7° | 116.9° |
| C43 | C42 | H49 | 108.3° | 109.4° |
| C42 | C43 | H50 | 109.5° | 109.5° |
| C42 | C43 | H51 | 109.5° | 109.4° |
| C42 | C43 | H52 | 109.5° | 109.5° |
| H50 | C43 | H51 | 109.4° | 109.4° |
| H50 | C43 | H52 | 109.4° | 109.5° |
| H51 | C43 | H52 | 109.5° | 109.5° |
| C44 | N9 | H53 | 118.5° | 122.8° |
| N9 | C44 | C45 | 108.9° | 109.7° |
| N9 | C44 | C48 | 111.1° | 108.2° |
| N9 | C44 | H54 | 109.7° | 109.7° |
| C44 | N9 | C41 | 122.9° | 114.4° |
| H53 | N9 | C41 | 118.5° | 122.8° |
| C45 | C44 | C48 | 109.7° | 109.7° |
| C45 | C44 | H54 | 108.6° | 109.8° |
| C44 | C45 | C46 | 110.3° | 109.5° |
| C44 | C45 | C47 | 110.9° | 109.5° |
| C44 | C45 | H55 | 108.6° | 109.5° |
| C48 | C44 | H54 | 108.8° | 109.7° |
| C44 | C48 | O14 | 119.8° | 120.0° |
| C44 | C48 | N10 | 118.6° | 120.2° |
| C46 | C45 | C47 | 109.4° | 109.5° |
| C46 | C45 | H55 | 108.8° | 109.4° |
| C45 | C46 | H56 | 109.5° | 109.5° |
| C45 | C46 | H57 | 109.5° | 109.5° |
| C45 | C46 | H58 | 109.5° | 109.5° |
| C47 | C45 | H55 | 108.8° | 109.5° |
| C45 | C47 | H59 | 109.5° | 109.4° |
| C45 | C47 | H60 | 109.5° | 109.5° |
| C45 | C47 | H61 | 109.5° | 109.5° |
| H56 | C46 | H57 | 109.4° | 109.4° |
| H56 | C46 | H58 | 109.5° | 109.5° |
| H57 | C46 | H58 | 109.5° | 109.5° |
| H59 | C47 | H60 | 109.5° | 109.5° |
| H59 | C47 | H61 | 109.4° | 109.5° |
| H60 | C47 | H61 | 109.5° | 109.5° |
| O14 | C48 | N10 | 121.6° | 119.9° |
| C49 | N10 | C53 | 112.2° | 109.0° |
| N10 | C49 | C50 | 112.6° | 109.6° |
| N10 | C49 | C51 | 102.0° | 107.8° |
| N10 | C49 | H62 | 111.9° | 109.8° |
| C49 | N10 | C48 | 126.6° | 125.4° |
| N10 | C53 | C52 | 102.2° | 107.7° |
| N10 | C53 | H67 | 111.3° | 109.9° |
| N10 | C53 | H68 | 111.3° | 109.8° |
| C53 | N10 | C48 | 120.0° | 125.6° |
| C50 | C49 | C51 | 108.6° | 109.9° |
| C50 | C49 | H62 | 110.9° | 109.8° |
| C49 | C50 | O15 | 120.4° | 120.8° |
| C49 | C50 | N11 | 118.0° | 118.4° |
| C51 | C49 | H62 | 110.6° | 109.9° |
| C49 | C51 | C52 | 103.0° | 106.1° |
| C49 | C51 | H63 | 111.1° | 110.1° |
| C49 | C51 | H64 | 111.0° | 110.2° |
| O15 | C50 | N11 | 121.5° | 120.8° |
| C52 | C51 | H63 | 111.1° | 110.1° |
| C52 | C51 | H64 | 111.1° | 110.1° |
| C51 | C52 | C53 | 103.6° | 106.0° |
| C51 | C52 | H65 | 111.0° | 110.1° |
| C51 | C52 | H66 | 110.9° | 110.2° |
| H63 | C51 | H64 | 109.5° | 110.1° |
| C53 | C52 | H65 | 110.9° | 110.2° |
| C53 | C52 | H66 | 110.9° | 110.2° |
| C52 | C53 | H67 | 111.3° | 109.8° |
| C52 | C53 | H68 | 111.3° | 109.8° |
| H65 | C52 | H66 | 109.5° | 110.1° |
| H67 | C53 | H68 | 109.5° | 109.8° |
| C54 | N11 | C56 | 116.8° | 122.8° |
| N11 | C54 | C55 | 111.2° | 108.3° |
| N11 | C54 | H69 | 109.0° | 109.7° |
| N11 | C54 | H70 | 109.0° | 109.7° |
| C54 | N11 | C50 | 123.8° | 114.4° |
| N11 | C56 | H71 | 109.5° | 109.5° |
| N11 | C56 | H72 | 109.5° | 109.5° |
| N11 | C56 | H73 | 109.5° | 109.5° |
| C56 | N11 | C50 | 118.2° | 122.8° |
| C55 | C54 | H69 | 109.0° | 109.7° |
| C55 | C54 | H70 | 109.0° | 109.7° |
| C54 | C55 | O16 | 121.2° | 120.5° |
| C54 | C55 | N12 | 116.7° | 119.0° |
| H69 | C54 | H70 | 109.5° | 109.7° |
| O16 | C55 | N12 | 122.1° | 120.5° |
| H71 | C56 | H72 | 109.5° | 109.5° |
| H71 | C56 | H73 | 109.4° | 109.4° |
| H72 | C56 | H73 | 109.5° | 109.4° |
| C57 | N12 | C58 | 120.0° | 122.0° |
| N12 | C57 | H74 | 109.5° | 109.4° |
| N12 | C57 | H75 | 109.5° | 109.5° |
| N12 | C57 | H76 | 109.5° | 109.5° |
| C57 | N12 | C55 | 122.6° | 122.0° |
| N12 | C58 | C59 | 111.9° | 109.6° |
| N12 | C58 | C62 | 111.3° | 108.8° |
| N12 | C58 | H77 | 105.9° | 109.6° |
| C58 | N12 | C55 | 117.2° | 116.0° |
| H74 | C57 | H75 | 109.5° | 109.5° |
| H74 | C57 | H76 | 109.5° | 109.5° |
| H75 | C57 | H76 | 109.5° | 109.5° |
| C59 | C58 | C62 | 115.8° | 109.6° |
| C59 | C58 | H77 | 105.5° | 109.6° |
| C58 | C59 | C60 | 110.2° | 109.5° |
| C58 | C59 | C61 | 110.9° | 109.5° |
| C58 | C59 | H78 | 108.5° | 109.5° |
| C62 | C58 | H77 | 105.4° | 109.7° |
| C58 | C62 | O17 | 124.9° | 119.9° |
| C58 | C62 | O13 | 111.3° | 120.1° |
| C60 | C59 | C61 | 110.5° | 109.5° |
| C60 | C59 | H78 | 107.7° | 109.5° |
| C59 | C60 | H79 | 109.5° | 109.5° |
| C59 | C60 | H80 | 109.5° | 109.5° |
| C59 | C60 | H81 | 109.5° | 109.5° |
| C61 | C59 | H78 | 109.0° | 109.5° |
| C59 | C61 | H82 | 109.5° | 109.5° |
| C59 | C61 | H83 | 109.5° | 109.4° |
| C59 | C61 | H84 | 109.5° | 109.5° |
| H79 | C60 | H80 | 109.5° | 109.5° |
| H79 | C60 | H81 | 109.5° | 109.5° |
| H80 | C60 | H81 | 109.4° | 109.4° |
| H82 | C61 | H83 | 109.5° | 109.5° |
| H82 | C61 | H84 | 109.4° | 109.5° |
| H83 | C61 | H84 | 109.5° | 109.4° |
| O17 | C62 | O13 | 123.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C25 | 180.0° | 179.7° |
| N1 | C1 | C2 | C3 | 123.0° | 120.0° |
| N1 | C1 | C2 | H2 | 119.9° | 120.0° |
| N1 | C1 | C3 | H2 | 124.1° | 120.0° |
| N1 | C1 | C2 | O1 | 21.0° | 113.1° |
| N1 | C1 | C3 | O2 | 64.0° | 60.2° |
| N1 | C1 | C3 | C4 | 55.0° | 59.8° |
| N1 | C1 | C3 | H3 | 178.2° | 179.7° |
| C1 | N1 | C25 | C24 | 179.1° | 174.0° |
| C1 | N1 | C25 | O8 | 7.4° | 6.0° |
| N1 | C1 | C2 | N2 | 164.6° | 66.9° |
| H1 | N1 | C1 | C2 | 27.0° | 81.1° |
| H1 | N1 | C1 | C3 | 90.7° | 38.8° |
| H1 | N1 | C1 | H2 | 146.0° | 158.9° |
| H1 | N1 | C25 | C24 | 0.9° | 6.4° |
| H1 | N1 | C25 | O8 | 172.6° | 173.7° |
| C2 | C1 | C3 | H2 | 117.1° | 120.0° |
| C1 | C2 | O1 | N2 | 173.8° | 180.0° |
| C2 | C1 | C3 | O2 | 54.8° | 59.8° |
| C2 | C1 | C3 | C4 | 173.9° | 179.8° |
| C2 | C1 | C3 | H3 | 63.0° | 60.3° |
| C1 | C2 | N2 | C5 | 160.8° | 179.4° |
| C1 | C2 | N2 | H7 | 19.3° | 0.7° |
| C2 | C1 | N1 | C25 | 153.0° | 98.5° |
| C3 | C1 | C2 | O1 | 101.9° | 6.9° |
| C1 | C3 | O2 | C4 | 123.6° | 120.0° |
| C1 | C3 | O2 | H3 | 117.3° | 120.0° |
| C1 | C3 | C4 | H3 | 122.9° | 120.0° |
| C1 | C3 | C4 | H4 | 180.0° | 60.0° |
| C1 | C3 | C4 | H5 | 60.0° | 180.0° |
| C1 | C3 | C4 | H6 | 60.0° | 60.0° |
| C3 | C1 | C2 | N2 | 72.5° | 173.1° |
| C1 | C3 | O2 | C23 | 157.0° | 177.6° |
| C3 | C1 | N1 | C25 | 89.3° | 141.5° |
| H2 | C1 | C2 | O1 | 140.9° | 126.9° |
| H2 | C1 | C3 | O2 | 171.9° | 179.8° |
| H2 | C1 | C3 | C4 | 69.0° | 60.2° |
| H2 | C1 | C3 | H3 | 54.1° | 59.7° |
| H2 | C1 | C2 | N2 | 44.7° | 53.1° |
| H2 | C1 | N1 | C25 | 34.0° | 21.4° |
| O1 | C2 | N2 | C5 | 13.4° | 0.7° |
| O1 | C2 | N2 | H7 | 166.6° | 179.3° |
| O2 | C3 | C4 | H3 | 119.4° | 120.0° |
| O2 | C3 | C4 | H4 | 62.3° | 60.0° |
| O2 | C3 | C4 | H5 | 177.7° | 60.0° |
| O2 | C3 | C4 | H6 | 57.7° | 180.0° |
| C3 | O2 | C23 | C19 | 173.8° | 179.9° |
| C3 | O2 | C23 | O7 | 1.1° | 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 | C23 | 79.4° | 62.4° |
| H3 | C3 | C4 | H4 | 57.1° | 180.0° |
| H3 | C3 | C4 | H5 | 62.9° | 60.0° |
| H3 | C3 | C4 | H6 | 177.1° | 60.0° |
| H3 | C3 | O2 | C23 | 39.8° | 57.6° |
| H4 | C4 | H5 | H6 | 120.0° | 120.0° |
| C5 | N2 | H7 | C2 | 180.0° | 180.0° |
| N2 | C5 | C6 | C9 | 122.2° | 118.6° |
| N2 | C5 | C6 | H8 | 119.8° | 120.7° |
| N2 | C5 | C9 | H8 | 120.0° | 119.7° |
| N2 | C5 | C6 | C7 | 49.5° | 63.0° |
| N2 | C5 | C6 | C8 | 171.7° | 57.0° |
| N2 | C5 | C6 | H9 | 69.9° | 177.1° |
| N2 | C5 | C9 | O3 | 67.4° | 11.1° |
| N2 | C5 | C9 | N3 | 115.2° | 169.0° |
| H7 | N2 | C5 | C6 | 28.0° | 15.1° |
| H7 | N2 | C5 | C9 | 93.1° | 134.7° |
| H7 | N2 | C5 | H8 | 147.3° | 105.6° |
| C6 | C5 | C9 | H8 | 117.8° | 120.6° |
| C5 | C6 | C7 | C8 | 121.7° | 120.0° |
| C5 | C6 | C7 | H9 | 119.5° | 119.9° |
| C5 | C6 | C8 | H9 | 118.4° | 120.1° |
| C5 | C6 | C7 | H10 | 180.0° | 60.0° |
| C5 | C6 | C7 | H11 | 60.0° | 180.0° |
| C5 | C6 | C7 | H12 | 60.0° | 60.0° |
| C5 | C6 | C8 | H13 | 180.0° | 54.7° |
| C5 | C6 | C8 | H14 | 60.0° | 174.6° |
| C5 | C6 | C8 | H15 | 60.0° | 65.3° |
| C6 | C5 | C9 | O3 | 54.8° | 130.7° |
| C6 | C5 | N2 | C2 | 152.0° | 165.0° |
| C6 | C5 | C9 | N3 | 122.7° | 49.3° |
| C9 | C5 | C6 | C7 | 171.8° | 55.6° |
| C9 | C5 | C6 | C8 | 66.1° | 175.6° |
| C9 | C5 | C6 | H9 | 52.3° | 64.3° |
| C5 | C9 | O3 | N3 | 177.4° | 179.9° |
| C5 | C9 | N3 | C10 | 12.3° | 179.5° |
| C5 | C9 | N3 | C14 | 172.7° | 0.6° |
| C9 | C5 | N2 | C2 | 86.9° | 45.3° |
| H8 | C5 | C6 | C7 | 70.3° | 176.3° |
| H8 | C5 | C6 | C8 | 51.8° | 63.7° |
| H8 | C5 | C6 | H9 | 170.3° | 56.4° |
| H8 | C5 | C9 | O3 | 172.6° | 108.6° |
| H8 | C5 | N2 | C2 | 32.7° | 74.4° |
| H8 | C5 | C9 | N3 | 4.8° | 71.3° |
| C7 | C6 | C8 | H9 | 118.7° | 120.0° |
| C6 | C7 | H10 | H11 | 120.0° | 120.0° |
| C6 | C7 | H10 | H12 | 120.0° | 120.1° |
| C6 | C7 | H11 | H12 | 120.0° | 120.0° |
| C7 | C6 | C8 | H13 | 57.1° | 174.6° |
| C7 | C6 | C8 | H14 | 62.9° | 65.4° |
| C7 | C6 | C8 | H15 | 177.1° | 54.6° |
| C8 | C6 | C7 | H10 | 58.3° | 60.0° |
| C8 | C6 | C7 | H11 | 178.3° | 60.0° |
| C8 | C6 | C7 | H12 | 61.7° | 180.0° |
| C6 | C8 | H13 | H14 | 120.0° | 120.0° |
| C6 | C8 | H13 | H15 | 120.0° | 120.0° |
| C6 | C8 | H14 | H15 | 120.0° | 120.1° |
| H9 | C6 | C7 | H10 | 60.5° | 180.0° |
| H9 | C6 | C7 | H11 | 59.5° | 60.1° |
| H9 | C6 | C7 | H12 | 179.5° | 59.9° |
| H9 | C6 | C8 | H13 | 61.5° | 65.4° |
| H9 | C6 | C8 | H14 | 178.4° | 54.6° |
| H9 | C6 | C8 | H15 | 58.5° | 174.6° |
| H10 | C7 | H11 | H12 | 120.0° | 120.0° |
| H13 | C8 | H14 | H15 | 120.0° | 119.9° |
| O3 | C9 | N3 | C10 | 170.3° | 0.6° |
| O3 | C9 | N3 | C14 | 4.7° | 179.3° |
| C10 | N3 | C14 | C9 | 175.7° | 179.9° |
| N3 | C10 | C11 | C12 | 113.8° | 117.9° |
| N3 | C10 | C11 | H16 | 123.9° | 120.8° |
| N3 | C10 | C12 | H16 | 120.3° | 119.6° |
| N3 | C10 | C11 | O4 | 43.9° | 60.9° |
| N3 | C10 | C12 | C13 | 17.0° | 6.4° |
| N3 | C10 | C12 | H17 | 136.4° | 112.9° |
| N3 | C10 | C12 | H18 | 102.4° | 125.6° |
| C10 | N3 | C14 | C13 | 8.1° | 16.4° |
| C10 | N3 | C14 | H19 | 127.5° | 103.2° |
| C10 | N3 | C14 | H20 | 111.2° | 136.1° |
| N3 | C10 | C11 | N4 | 138.2° | 119.1° |
| C14 | N3 | C10 | C11 | 101.3° | 133.6° |
| C14 | N3 | C10 | C12 | 15.9° | 14.1° |
| C14 | N3 | C10 | H16 | 135.4° | 105.6° |
| N3 | C14 | C13 | C12 | 3.5° | 12.1° |
| N3 | C14 | C13 | H19 | 119.4° | 119.6° |
| N3 | C14 | C13 | H20 | 119.3° | 119.7° |
| N3 | C14 | C13 | O5 | 179.4° | 168.0° |
| N3 | C14 | H19 | H20 | 121.8° | 120.7° |
| C11 | C10 | C12 | H16 | 122.3° | 121.2° |
| C10 | C11 | O4 | N4 | 177.9° | 180.0° |
| C11 | C10 | C12 | C13 | 100.4° | 125.6° |
| C11 | C10 | C12 | H17 | 19.0° | 6.3° |
| C11 | C10 | C12 | H18 | 140.2° | 115.2° |
| C10 | C11 | N4 | C15 | 5.5° | 178.5° |
| C10 | C11 | N4 | C17 | 178.3° | 1.5° |
| C11 | C10 | N3 | C9 | 83.4° | 46.4° |
| C12 | C10 | C11 | O4 | 69.9° | 57.0° |
| C10 | C12 | C13 | H17 | 119.4° | 119.3° |
| C10 | C12 | C13 | H18 | 119.4° | 119.3° |
| C10 | C12 | H17 | H18 | 121.9° | 121.5° |
| C10 | C12 | C13 | C14 | 12.9° | 3.4° |
| C10 | C12 | C13 | O5 | 171.2° | 176.6° |
| C12 | C10 | N3 | C9 | 159.5° | 165.8° |
| C12 | C10 | C11 | N4 | 108.0° | 123.0° |
| H16 | C10 | C11 | O4 | 167.8° | 178.3° |
| H16 | C10 | C12 | C13 | 137.3° | 113.3° |
| H16 | C10 | C12 | H17 | 103.3° | 127.5° |
| H16 | C10 | C12 | H18 | 17.9° | 5.9° |
| H16 | C10 | N3 | C9 | 39.9° | 74.4° |
| H16 | C10 | C11 | N4 | 14.2° | 1.7° |
| O4 | C11 | N4 | C15 | 172.4° | 1.5° |
| O4 | C11 | N4 | C17 | 0.4° | 178.5° |
| C13 | C12 | H17 | H18 | 121.8° | 121.4° |
| C12 | C13 | C14 | O5 | 175.9° | 179.9° |
| C12 | C13 | C14 | H19 | 115.9° | 107.5° |
| C12 | C13 | C14 | H20 | 122.8° | 131.8° |
| H17 | C12 | C13 | C14 | 132.3° | 122.7° |
| H17 | C12 | C13 | O5 | 51.8° | 57.3° |
| H18 | C12 | C13 | C14 | 106.5° | 115.8° |
| H18 | C12 | C13 | O5 | 69.5° | 64.1° |
| C13 | C14 | H19 | H20 | 121.9° | 120.7° |
| C13 | C14 | N3 | C9 | 167.5° | 163.5° |
| O5 | C13 | C14 | H19 | 60.0° | 72.4° |
| O5 | C13 | C14 | H20 | 61.3° | 48.2° |
| H19 | C14 | N3 | C9 | 48.2° | 76.9° |
| H20 | C14 | N3 | C9 | 73.1° | 43.8° |
| C15 | N4 | C17 | C11 | 173.5° | 180.0° |
| N4 | C15 | C16 | H21 | 120.5° | 119.6° |
| N4 | C15 | C16 | H22 | 120.5° | 119.7° |
| N4 | C15 | H21 | H22 | 118.5° | 120.6° |
| N4 | C15 | C16 | O6 | 9.1° | 47.0° |
| C15 | N4 | C17 | H23 | 180.0° | 92.1° |
| C15 | N4 | C17 | H24 | 60.0° | 28.0° |
| C15 | N4 | C17 | H25 | 60.0° | 148.0° |
| N4 | C15 | C16 | N5 | 170.4° | 133.0° |
| C17 | N4 | C15 | C16 | 74.3° | 58.0° |
| C17 | N4 | C15 | H21 | 165.3° | 61.7° |
| C17 | N4 | C15 | H22 | 46.2° | 177.7° |
| N4 | C17 | H23 | H24 | 120.0° | 120.0° |
| N4 | C17 | H23 | H25 | 120.0° | 120.0° |
| N4 | C17 | H24 | H25 | 120.0° | 120.0° |
| C16 | C15 | H21 | H22 | 118.5° | 120.7° |
| C15 | C16 | O6 | N5 | 179.5° | 180.0° |
| C15 | C16 | N5 | C18 | 9.2° | 3.4° |
| C15 | C16 | N5 | C19 | 177.6° | 176.6° |
| C16 | C15 | N4 | C11 | 112.8° | 122.0° |
| H21 | C15 | C16 | O6 | 111.4° | 72.6° |
| H21 | C15 | N4 | C11 | 7.6° | 118.3° |
| H21 | C15 | C16 | N5 | 69.1° | 107.4° |
| H22 | C15 | C16 | O6 | 129.6° | 166.8° |
| H22 | C15 | N4 | C11 | 126.7° | 2.3° |
| H22 | C15 | C16 | N5 | 49.9° | 13.2° |
| O6 | C16 | N5 | C18 | 171.3° | 176.5° |
| O6 | C16 | N5 | C19 | 1.9° | 3.5° |
| H23 | C17 | H24 | H25 | 120.0° | 120.0° |
| H23 | C17 | N4 | C11 | 6.5° | 87.9° |
| H24 | C17 | N4 | C11 | 126.5° | 152.0° |
| H25 | C17 | N4 | C11 | 113.5° | 32.0° |
| C18 | N5 | C19 | C16 | 173.6° | 180.0° |
| N5 | C18 | H26 | H27 | 120.0° | 120.0° |
| N5 | C18 | H26 | H28 | 120.0° | 119.9° |
| N5 | C18 | H27 | H28 | 120.0° | 120.0° |
| C18 | N5 | C19 | C20 | 114.1° | 54.9° |
| C18 | N5 | C19 | C23 | 119.6° | 64.9° |
| C18 | N5 | C19 | H29 | 3.3° | 175.2° |
| C19 | N5 | C18 | H26 | 180.0° | 177.8° |
| C19 | N5 | C18 | H27 | 60.0° | 57.8° |
| C19 | N5 | C18 | H28 | 60.0° | 62.2° |
| N5 | C19 | C20 | C23 | 126.3° | 119.2° |
| N5 | C19 | C20 | H29 | 117.9° | 120.3° |
| N5 | C19 | C23 | H29 | 116.7° | 119.9° |
| N5 | C19 | C20 | C21 | 38.1° | 175.0° |
| N5 | C19 | C20 | C22 | 157.9° | 55.0° |
| N5 | C19 | C20 | H30 | 82.7° | 65.0° |
| N5 | C19 | C23 | O7 | 135.6° | 108.7° |
| N5 | C19 | C23 | O2 | 49.6° | 71.3° |
| H26 | C18 | H27 | H28 | 120.0° | 120.0° |
| H26 | C18 | N5 | C16 | 6.8° | 2.2° |
| H27 | C18 | N5 | C16 | 126.8° | 122.2° |
| H28 | C18 | N5 | C16 | 113.2° | 117.8° |
| C20 | C19 | C23 | H29 | 115.7° | 120.4° |
| C19 | C20 | C21 | C22 | 120.1° | 120.0° |
| C19 | C20 | C21 | H30 | 120.5° | 120.0° |
| C19 | C20 | C22 | H30 | 119.3° | 120.0° |
| C19 | C20 | C21 | H31 | 180.0° | 64.6° |
| C19 | C20 | C21 | H32 | 60.0° | 175.3° |
| C19 | C20 | C21 | H33 | 60.0° | 55.4° |
| C19 | C20 | C22 | H34 | 180.0° | 65.1° |
| C19 | C20 | C22 | H35 | 60.0° | 174.8° |
| C19 | C20 | C22 | H36 | 60.0° | 54.8° |
| C20 | C19 | C23 | O7 | 8.0° | 11.0° |
| C20 | C19 | C23 | O2 | 177.2° | 169.0° |
| C20 | C19 | N5 | C16 | 72.3° | 125.1° |
| C23 | C19 | C20 | C21 | 164.4° | 65.8° |
| C23 | C19 | C20 | C22 | 75.8° | 174.2° |
| C23 | C19 | C20 | H30 | 43.7° | 54.2° |
| C19 | C23 | O7 | O2 | 174.1° | 180.0° |
| C23 | C19 | N5 | C16 | 54.0° | 115.1° |
| H29 | C19 | C20 | C21 | 79.8° | 54.7° |
| H29 | C19 | C20 | C22 | 40.0° | 65.3° |
| H29 | C19 | C20 | H30 | 159.5° | 174.7° |
| H29 | C19 | C23 | O7 | 107.7° | 131.4° |
| H29 | C19 | C23 | O2 | 67.1° | 48.6° |
| H29 | C19 | N5 | C16 | 170.3° | 4.8° |
| C21 | C20 | C22 | H30 | 119.5° | 120.0° |
| C20 | C21 | H31 | H32 | 120.0° | 120.1° |
| C20 | C21 | H31 | H33 | 120.0° | 119.9° |
| C20 | C21 | H32 | H33 | 120.0° | 119.9° |
| C21 | C20 | C22 | H34 | 58.8° | 174.8° |
| C21 | C20 | C22 | H35 | 178.8° | 54.8° |
| C21 | C20 | C22 | H36 | 61.2° | 65.3° |
| C22 | C20 | C21 | H31 | 59.9° | 55.4° |
| C22 | C20 | C21 | H32 | 60.1° | 64.6° |
| C22 | C20 | C21 | H33 | 180.0° | 175.4° |
| C20 | C22 | H34 | H35 | 120.0° | 120.0° |
| C20 | C22 | H34 | H36 | 120.0° | 119.9° |
| C20 | C22 | H35 | H36 | 120.0° | 120.0° |
| H30 | C20 | C21 | H31 | 59.5° | 175.4° |
| H30 | C20 | C21 | H32 | 179.5° | 55.3° |
| H30 | C20 | C21 | H33 | 60.5° | 64.6° |
| H30 | C20 | C22 | H34 | 60.7° | 54.9° |
| H30 | C20 | C22 | H35 | 59.3° | 65.2° |
| H30 | C20 | C22 | H36 | 179.3° | 174.8° |
| H31 | C21 | H32 | H33 | 120.0° | 120.0° |
| H34 | C22 | H35 | H36 | 120.0° | 120.0° |
| C25 | C24 | C26 | C34 | 179.8° | 179.7° |
| C24 | C25 | O8 | N1 | 173.2° | 180.0° |
| C25 | C24 | C26 | N6 | 10.6° | 0.1° |
| C25 | C24 | C26 | C27 | 169.6° | 180.0° |
| C25 | C24 | C34 | N7 | 12.3° | 0.1° |
| C25 | C24 | C34 | C35 | 171.2° | 179.7° |
| C26 | C24 | C25 | O8 | 30.3° | 159.9° |
| C24 | C26 | N6 | C27 | 179.8° | 179.9° |
| C24 | C26 | N6 | H37 | 180.0° | 17.3° |
| C24 | C26 | N6 | H38 | 60.0° | 162.6° |
| C24 | C26 | C27 | O9 | 174.6° | 180.0° |
| C24 | C26 | C27 | C28 | 4.2° | 0.1° |
| C26 | C24 | C34 | N7 | 168.0° | 179.8° |
| C26 | C24 | C34 | C35 | 8.5° | 0.6° |
| C26 | C24 | C25 | N1 | 143.2° | 20.0° |
| C34 | C24 | C25 | O8 | 150.0° | 19.8° |
| C34 | C24 | C26 | N6 | 169.7° | 179.6° |
| C34 | C24 | C26 | C27 | 10.2° | 0.2° |
| C24 | C34 | C35 | C28 | 0.9° | 0.7° |
| C24 | C34 | C35 | O10 | 175.7° | 179.7° |
| C24 | C34 | N7 | C35 | 176.4° | 179.6° |
| C24 | C34 | N7 | C37 | 175.7° | 180.0° |
| C34 | C24 | C25 | N1 | 36.6° | 160.2° |
| C26 | N6 | H37 | H38 | 120.0° | 180.0° |
| N6 | C26 | C27 | O9 | 5.5° | 0.1° |
| N6 | C26 | C27 | C28 | 175.6° | 179.9° |
| C27 | C26 | N6 | H37 | 0.2° | 162.6° |
| C27 | C26 | N6 | H38 | 120.2° | 17.5° |
| C26 | C27 | O9 | C28 | 178.8° | 180.0° |
| C26 | C27 | C28 | C35 | 3.4° | 0.0° |
| C26 | C27 | C28 | C38 | 179.4° | 180.0° |
| O9 | C27 | C28 | C35 | 177.8° | 180.0° |
| O9 | C27 | C28 | C38 | 0.6° | 0.0° |
| C27 | C28 | C35 | C38 | 177.1° | 180.0° |
| C27 | C28 | C35 | O10 | 178.3° | 180.0° |
| C27 | C28 | C35 | C34 | 5.0° | 0.4° |
| C27 | C28 | C38 | H41 | 180.0° | 0.0° |
| C27 | C28 | C38 | H42 | 60.0° | 120.0° |
| C27 | C28 | C38 | H43 | 60.0° | 120.0° |
| C28 | C35 | O10 | C34 | 176.9° | 179.7° |
| C28 | C35 | O10 | C36 | 172.5° | 180.0° |
| C28 | C35 | C34 | N7 | 175.5° | 179.7° |
| C35 | C28 | C38 | H41 | 2.9° | 180.0° |
| C35 | C28 | C38 | H42 | 122.9° | 60.0° |
| C35 | C28 | C38 | H43 | 117.1° | 59.9° |
| C38 | C28 | C35 | O10 | 1.1° | 0.0° |
| C38 | C28 | C35 | C34 | 177.8° | 179.7° |
| C28 | C38 | H41 | H42 | 120.0° | 120.0° |
| C28 | C38 | H41 | H43 | 120.0° | 120.0° |
| C28 | C38 | H42 | H43 | 120.0° | 119.9° |
| C35 | O10 | C36 | C29 | 176.0° | 180.0° |
| O10 | C35 | C34 | N7 | 7.8° | 0.1° |
| C35 | O10 | C36 | C37 | 5.3° | 0.9° |
| O10 | C36 | C29 | C30 | 177.8° | 180.0° |
| O10 | C36 | C29 | C37 | 178.7° | 179.1° |
| O10 | C36 | C29 | C39 | 1.7° | 0.0° |
| O10 | C36 | C37 | C32 | 179.4° | 179.7° |
| O10 | C36 | C37 | N7 | 3.4° | 1.2° |
| C36 | O10 | C35 | C34 | 10.5° | 0.3° |
| C30 | C29 | C36 | C39 | 179.5° | 180.0° |
| C29 | C30 | C31 | H39 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.3° | 1.1° |
| C29 | C30 | C31 | H40 | 179.7° | 180.0° |
| C30 | C29 | C36 | C37 | 3.6° | 0.8° |
| C30 | C29 | C39 | H44 | 90.3° | 90.0° |
| C30 | C29 | C39 | H45 | 149.7° | 150.0° |
| C30 | C29 | C39 | H46 | 29.7° | 30.0° |
| C36 | C29 | C30 | C31 | 2.7° | 0.0° |
| C36 | C29 | C30 | H39 | 177.3° | 179.9° |
| C29 | C36 | C37 | C32 | 2.0° | 0.6° |
| C29 | C36 | C37 | N7 | 175.2° | 179.7° |
| C36 | C29 | C39 | H44 | 90.2° | 90.0° |
| C36 | C29 | C39 | H45 | 29.7° | 29.9° |
| C36 | C29 | C39 | H46 | 149.8° | 150.0° |
| C39 | C29 | C30 | C31 | 177.8° | 180.0° |
| C39 | C29 | C30 | H39 | 2.2° | 0.1° |
| C39 | C29 | C36 | C37 | 176.9° | 179.1° |
| C29 | C39 | H44 | H45 | 120.0° | 120.0° |
| C29 | C39 | H44 | H46 | 120.0° | 120.0° |
| C29 | C39 | H45 | H46 | 120.0° | 120.0° |
| C30 | C31 | C32 | H40 | 180.0° | 178.9° |
| C30 | C31 | C32 | C33 | 175.5° | 179.9° |
| C30 | C31 | C32 | C37 | 1.5° | 1.3° |
| H39 | C30 | C31 | C32 | 179.7° | 179.0° |
| H39 | C30 | C31 | H40 | 0.3° | 0.1° |
| C31 | C32 | C33 | C37 | 176.8° | 178.7° |
| C31 | C32 | C33 | O11 | 44.6° | 178.7° |
| C31 | C32 | C37 | N7 | 177.8° | 178.6° |
| C31 | C32 | C37 | C36 | 0.7° | 0.5° |
| C31 | C32 | C33 | N8 | 131.8° | 1.2° |
| H40 | C31 | C32 | C33 | 4.5° | 1.1° |
| H40 | C31 | C32 | C37 | 178.6° | 179.8° |
| C32 | C33 | O11 | N8 | 176.3° | 180.0° |
| C33 | C32 | C37 | N7 | 1.1° | 0.1° |
| C33 | C32 | C37 | C36 | 176.1° | 179.2° |
| C32 | C33 | N8 | C40 | 177.5° | 175.5° |
| C32 | C33 | N8 | H47 | 2.5° | 4.5° |
| C37 | C32 | C33 | O11 | 132.2° | 2.6° |
| C32 | C37 | N7 | C34 | 176.6° | 180.0° |
| C32 | C37 | N7 | C36 | 177.1° | 179.1° |
| C37 | C32 | C33 | N8 | 51.4° | 177.5° |
| O11 | C33 | N8 | C40 | 1.3° | 4.5° |
| O11 | C33 | N8 | H47 | 178.7° | 175.5° |
| C34 | N7 | C37 | C36 | 6.2° | 1.0° |
| C37 | N7 | C34 | C35 | 0.7° | 0.4° |
| H41 | C38 | H42 | H43 | 120.0° | 120.1° |
| H44 | C39 | H45 | H46 | 120.0° | 120.0° |
| C40 | N8 | H47 | C33 | 180.0° | 180.0° |
| N8 | C40 | C41 | C42 | 123.8° | 120.0° |
| N8 | C40 | C41 | H48 | 119.8° | 120.0° |
| N8 | C40 | C42 | H48 | 120.8° | 119.9° |
| N8 | C40 | C41 | O12 | 20.2° | 114.4° |
| N8 | C40 | C42 | O13 | 71.6° | 59.8° |
| N8 | C40 | C42 | C43 | 49.8° | 60.3° |
| N8 | C40 | C42 | H49 | 171.2° | 179.8° |
| N8 | C40 | C41 | N9 | 164.2° | 65.6° |
| H47 | N8 | C40 | C41 | 32.1° | 86.6° |
| H47 | N8 | C40 | C42 | 88.3° | 33.5° |
| H47 | N8 | C40 | H48 | 151.4° | 153.4° |
| C41 | C40 | C42 | H48 | 116.6° | 120.1° |
| C40 | C41 | O12 | N9 | 175.2° | 180.0° |
| C41 | C40 | C42 | O13 | 51.0° | 60.3° |
| C41 | C40 | C42 | C43 | 172.5° | 179.7° |
| C41 | C40 | C42 | H49 | 66.1° | 59.8° |
| C40 | C41 | N9 | C44 | 164.9° | 179.5° |
| C40 | C41 | N9 | H53 | 15.1° | 0.4° |
| C41 | C40 | N8 | C33 | 147.9° | 93.4° |
| C42 | C40 | C41 | O12 | 103.6° | 5.6° |
| C40 | C42 | O13 | C43 | 125.3° | 120.0° |
| C40 | C42 | O13 | H49 | 116.4° | 120.0° |
| C40 | C42 | C43 | H49 | 121.2° | 119.9° |
| C40 | C42 | C43 | H50 | 180.0° | 55.8° |
| C40 | C42 | C43 | H51 | 60.0° | 175.8° |
| C40 | C42 | C43 | H52 | 60.0° | 64.2° |
| C42 | C40 | N8 | C33 | 91.7° | 146.5° |
| C42 | C40 | C41 | N9 | 72.0° | 174.4° |
| C40 | C42 | O13 | C62 | 148.4° | 176.0° |
| H48 | C40 | C41 | O12 | 140.0° | 125.6° |
| H48 | C40 | C42 | O13 | 167.6° | 179.7° |
| H48 | C40 | C42 | C43 | 70.9° | 59.6° |
| H48 | C40 | C42 | H49 | 50.4° | 60.3° |
| H48 | C40 | N8 | C33 | 28.6° | 26.6° |
| H48 | C40 | C41 | N9 | 44.4° | 54.4° |
| O12 | C41 | N9 | C44 | 10.8° | 0.5° |
| O12 | C41 | N9 | H53 | 169.2° | 179.6° |
| O13 | C42 | C43 | H49 | 118.8° | 120.0° |
| O13 | C42 | C43 | H50 | 60.1° | 64.3° |
| O13 | C42 | C43 | H51 | 179.9° | 55.7° |
| O13 | C42 | C43 | H52 | 59.9° | 175.7° |
| C42 | O13 | C62 | C58 | 174.7° | 180.0° |
| C42 | O13 | C62 | O17 | 0.7° | 0.1° |
| C42 | C43 | H50 | H51 | 120.0° | 119.9° |
| C42 | C43 | H50 | H52 | 120.0° | 120.0° |
| C42 | C43 | H51 | H52 | 120.0° | 120.0° |
| C43 | C42 | O13 | C62 | 86.3° | 64.0° |
| H49 | C42 | C43 | H50 | 58.8° | 175.7° |
| H49 | C42 | C43 | H51 | 61.2° | 64.3° |
| H49 | C42 | C43 | H52 | 178.7° | 55.7° |
| H49 | C42 | O13 | C62 | 32.0° | 55.9° |
| H50 | C43 | H51 | H52 | 120.0° | 120.0° |
| C44 | N9 | H53 | C41 | 180.0° | 179.9° |
| N9 | C44 | C45 | C48 | 121.8° | 118.8° |
| N9 | C44 | C45 | H54 | 119.4° | 120.6° |
| N9 | C44 | C48 | H54 | 120.9° | 119.6° |
| N9 | C44 | C45 | C46 | 176.4° | 65.3° |
| N9 | C44 | C45 | C47 | 55.1° | 54.8° |
| N9 | C44 | C45 | H55 | 64.5° | 174.7° |
| N9 | C44 | C48 | O14 | 62.2° | 13.6° |
| N9 | C44 | C48 | N10 | 120.8° | 166.5° |
| H53 | N9 | C44 | C45 | 18.2° | 14.7° |
| H53 | N9 | C44 | C48 | 102.8° | 134.4° |
| H53 | N9 | C44 | H54 | 136.8° | 105.9° |
| C45 | C44 | C48 | H54 | 118.7° | 120.7° |
| C44 | C45 | C46 | C47 | 122.3° | 120.0° |
| C44 | C45 | C46 | H55 | 119.0° | 120.0° |
| C44 | C45 | C47 | H55 | 119.4° | 120.0° |
| C44 | C45 | C46 | H56 | 180.0° | 64.4° |
| C44 | C45 | C46 | H57 | 60.0° | 175.6° |
| C44 | C45 | C46 | H58 | 60.0° | 55.6° |
| C44 | C45 | C47 | H59 | 180.0° | 64.2° |
| C44 | C45 | C47 | H60 | 60.0° | 175.9° |
| C44 | C45 | C47 | H61 | 60.0° | 55.8° |
| C45 | C44 | C48 | O14 | 58.3° | 133.3° |
| C45 | C44 | N9 | C41 | 161.8° | 165.2° |
| C45 | C44 | C48 | N10 | 118.8° | 46.8° |
| C48 | C44 | C45 | C46 | 61.8° | 53.5° |
| C48 | C44 | C45 | C47 | 176.9° | 173.5° |
| C48 | C44 | C45 | H55 | 57.3° | 66.5° |
| C44 | C48 | O14 | N10 | 177.0° | 180.0° |
| C44 | C48 | N10 | C49 | 20.2° | 179.5° |
| C44 | C48 | N10 | C53 | 173.1° | 0.5° |
| C48 | C44 | N9 | C41 | 77.2° | 45.5° |
| H54 | C44 | C45 | C46 | 57.1° | 174.1° |
| H54 | C44 | C45 | C47 | 64.3° | 65.8° |
| H54 | C44 | C45 | H55 | 176.2° | 54.1° |
| H54 | C44 | C48 | O14 | 176.9° | 106.1° |
| H54 | C44 | N9 | C41 | 43.1° | 74.1° |
| H54 | C44 | C48 | N10 | 0.1° | 73.9° |
| C46 | C45 | C47 | H55 | 118.7° | 120.0° |
| C45 | C46 | H56 | H57 | 120.0° | 120.0° |
| C45 | C46 | H56 | H58 | 120.0° | 120.1° |
| C45 | C46 | H57 | H58 | 120.0° | 120.1° |
| C46 | C45 | C47 | H59 | 58.1° | 175.8° |
| C46 | C45 | C47 | H60 | 178.1° | 55.8° |
| C46 | C45 | C47 | H61 | 61.9° | 64.2° |
| C47 | C45 | C46 | H56 | 57.7° | 55.6° |
| C47 | C45 | C46 | H57 | 62.2° | 64.3° |
| C47 | C45 | C46 | H58 | 177.8° | 175.6° |
| C45 | C47 | H59 | H60 | 120.0° | 120.0° |
| C45 | C47 | H59 | H61 | 120.0° | 120.0° |
| C45 | C47 | H60 | H61 | 120.0° | 120.0° |
| H55 | C45 | C46 | H56 | 61.0° | 175.6° |
| H55 | C45 | C46 | H57 | 179.0° | 55.6° |
| H55 | C45 | C46 | H58 | 59.0° | 64.4° |
| H55 | C45 | C47 | H59 | 60.6° | 55.9° |
| H55 | C45 | C47 | H60 | 59.4° | 64.1° |
| H55 | C45 | C47 | H61 | 179.4° | 175.8° |
| H56 | C46 | H57 | H58 | 120.0° | 120.0° |
| H59 | C47 | H60 | H61 | 120.0° | 120.0° |
| O14 | C48 | N10 | C49 | 162.8° | 0.5° |
| O14 | C48 | N10 | C53 | 3.9° | 179.5° |
| C49 | N10 | C53 | C48 | 168.5° | 180.0° |
| N10 | C49 | C50 | C51 | 112.1° | 118.3° |
| N10 | C49 | C50 | H62 | 126.2° | 120.7° |
| N10 | C49 | C51 | H62 | 119.1° | 119.7° |
| N10 | C49 | C50 | O15 | 28.4° | 59.6° |
| N10 | C49 | C51 | C52 | 33.2° | 9.4° |
| N10 | C49 | C51 | H63 | 152.2° | 109.8° |
| N10 | C49 | C51 | H64 | 85.7° | 128.5° |
| C49 | N10 | C53 | C52 | 12.6° | 18.9° |
| C49 | N10 | C53 | H67 | 106.2° | 100.7° |
| C49 | N10 | C53 | H68 | 131.4° | 138.4° |
| N10 | C49 | C50 | N11 | 154.6° | 120.4° |
| C53 | N10 | C49 | C50 | 103.6° | 137.2° |
| C53 | N10 | C49 | C51 | 12.6° | 17.7° |
| C53 | N10 | C49 | H62 | 130.8° | 102.1° |
| N10 | C53 | C52 | C51 | 33.5° | 12.5° |
| N10 | C53 | C52 | H67 | 118.8° | 119.6° |
| N10 | C53 | C52 | H68 | 118.8° | 119.6° |
| N10 | C53 | C52 | H65 | 85.6° | 106.7° |
| N10 | C53 | C52 | H66 | 152.5° | 131.6° |
| N10 | C53 | H67 | H68 | 123.4° | 120.9° |
| C50 | C49 | C51 | H62 | 121.9° | 120.9° |
| C49 | C50 | O15 | N11 | 176.9° | 180.0° |
| C50 | C49 | C51 | C52 | 85.8° | 128.8° |
| C50 | C49 | C51 | H63 | 33.1° | 9.6° |
| C50 | C49 | C51 | H64 | 155.2° | 112.0° |
| C49 | C50 | N11 | C54 | 13.5° | 178.7° |
| C49 | C50 | N11 | C56 | 179.7° | 1.3° |
| C50 | C49 | N10 | C48 | 88.8° | 42.8° |
| C51 | C49 | C50 | O15 | 83.7° | 58.7° |
| C49 | C51 | C52 | H63 | 118.9° | 119.2° |
| C49 | C51 | C52 | H64 | 119.0° | 119.2° |
| C49 | C51 | H63 | H64 | 123.0° | 121.7° |
| C49 | C51 | C52 | C53 | 41.9° | 1.9° |
| C49 | C51 | C52 | H65 | 77.1° | 117.3° |
| C49 | C51 | C52 | H66 | 161.0° | 121.1° |
| C51 | C49 | N10 | C48 | 155.0° | 162.4° |
| C51 | C49 | C50 | N11 | 93.3° | 121.3° |
| H62 | C49 | C50 | O15 | 154.6° | 179.7° |
| H62 | C49 | C51 | C52 | 152.3° | 110.3° |
| H62 | C49 | C51 | H63 | 88.7° | 130.5° |
| H62 | C49 | C51 | H64 | 33.3° | 8.9° |
| H62 | C49 | N10 | C48 | 36.8° | 77.9° |
| H62 | C49 | C50 | N11 | 28.4° | 0.3° |
| O15 | C50 | N11 | C54 | 169.6° | 1.2° |
| O15 | C50 | N11 | C56 | 2.8° | 178.7° |
| C52 | C51 | H63 | H64 | 123.0° | 121.6° |
| C51 | C52 | C53 | H65 | 119.1° | 119.1° |
| C51 | C52 | C53 | H66 | 119.0° | 119.2° |
| C51 | C52 | H65 | H66 | 122.8° | 121.7° |
| C51 | C52 | C53 | H67 | 85.3° | 107.1° |
| C51 | C52 | C53 | H68 | 152.3° | 132.0° |
| H63 | C51 | C52 | C53 | 160.9° | 121.1° |
| H63 | C51 | C52 | H65 | 41.8° | 1.9° |
| H63 | C51 | C52 | H66 | 80.1° | 119.8° |
| H64 | C51 | C52 | C53 | 77.0° | 117.4° |
| H64 | C51 | C52 | H65 | 163.9° | 123.5° |
| H64 | C51 | C52 | H66 | 42.0° | 1.8° |
| C53 | C52 | H65 | H66 | 122.7° | 121.8° |
| C52 | C53 | H67 | H68 | 123.4° | 120.8° |
| C52 | C53 | N10 | C48 | 178.9° | 161.1° |
| H65 | C52 | C53 | H67 | 155.6° | 133.7° |
| H65 | C52 | C53 | H68 | 33.2° | 12.9° |
| H66 | C52 | C53 | H67 | 33.7° | 12.0° |
| H66 | C52 | C53 | H68 | 88.6° | 108.8° |
| H67 | C53 | N10 | C48 | 62.3° | 79.3° |
| H68 | C53 | N10 | C48 | 60.1° | 41.6° |
| C54 | N11 | C56 | C50 | 167.7° | 180.0° |
| N11 | C54 | C55 | H69 | 120.3° | 119.7° |
| N11 | C54 | C55 | H70 | 120.3° | 119.7° |
| N11 | C54 | H69 | H70 | 119.2° | 120.6° |
| N11 | C54 | C55 | O16 | 6.4° | 45.3° |
| C54 | N11 | C56 | H71 | 180.0° | 125.0° |
| C54 | N11 | C56 | H72 | 60.0° | 5.0° |
| C54 | N11 | C56 | H73 | 60.0° | 115.0° |
| N11 | C54 | C55 | N12 | 169.7° | 134.7° |
| C56 | N11 | C54 | C55 | 77.3° | 61.0° |
| C56 | N11 | C54 | H69 | 162.4° | 58.7° |
| C56 | N11 | C54 | H70 | 42.9° | 179.2° |
| N11 | C56 | H71 | H72 | 120.0° | 120.1° |
| N11 | C56 | H71 | H73 | 120.0° | 120.0° |
| N11 | C56 | H72 | H73 | 120.0° | 120.0° |
| C55 | C54 | H69 | H70 | 119.2° | 120.6° |
| C54 | C55 | O16 | N12 | 175.9° | 180.0° |
| C54 | C55 | N12 | C57 | 8.8° | 2.5° |
| C54 | C55 | N12 | C58 | 166.8° | 177.6° |
| C55 | C54 | N11 | C50 | 89.7° | 119.0° |
| H69 | C54 | C55 | O16 | 113.9° | 74.4° |
| H69 | C54 | N11 | C50 | 30.6° | 121.3° |
| H69 | C54 | C55 | N12 | 70.0° | 105.6° |
| H70 | C54 | C55 | O16 | 126.7° | 165.0° |
| H70 | C54 | N11 | C50 | 150.1° | 0.7° |
| H70 | C54 | C55 | N12 | 49.5° | 15.0° |
| O16 | C55 | N12 | C57 | 175.1° | 177.5° |
| O16 | C55 | N12 | C58 | 9.3° | 2.5° |
| H71 | C56 | H72 | H73 | 119.9° | 119.9° |
| H71 | C56 | N11 | C50 | 12.3° | 54.9° |
| H72 | C56 | N11 | C50 | 107.8° | 175.0° |
| H73 | C56 | N11 | C50 | 132.2° | 65.0° |
| C57 | N12 | C58 | C55 | 175.7° | 180.0° |
| N12 | C57 | H74 | H75 | 120.0° | 120.0° |
| N12 | C57 | H74 | H76 | 120.0° | 120.0° |
| N12 | C57 | H75 | H76 | 120.0° | 120.1° |
| C57 | N12 | C58 | C59 | 107.2° | 53.5° |
| C57 | N12 | C58 | C62 | 121.4° | 66.3° |
| C57 | N12 | C58 | H77 | 7.3° | 173.8° |
| C58 | N12 | C57 | H74 | 180.0° | 115.4° |
| C58 | N12 | C57 | H75 | 60.0° | 4.6° |
| C58 | N12 | C57 | H76 | 60.0° | 124.7° |
| N12 | C58 | C59 | C62 | 129.1° | 119.4° |
| N12 | C58 | C59 | H77 | 114.8° | 120.3° |
| N12 | C58 | C62 | H77 | 114.4° | 119.9° |
| N12 | C58 | C59 | C60 | 38.0° | 180.0° |
| N12 | C58 | C59 | C61 | 160.7° | 60.0° |
| N12 | C58 | C59 | H78 | 79.7° | 60.0° |
| N12 | C58 | C62 | O17 | 135.6° | 107.1° |
| N12 | C58 | C62 | O13 | 49.1° | 72.8° |
| H74 | C57 | H75 | H76 | 120.0° | 120.0° |
| H74 | C57 | N12 | C55 | 4.6° | 64.7° |
| H75 | C57 | N12 | C55 | 115.4° | 175.3° |
| H76 | C57 | N12 | C55 | 124.6° | 55.3° |
| C59 | C58 | C62 | H77 | 116.2° | 120.3° |
| C58 | C59 | C60 | C61 | 122.9° | 120.0° |
| C58 | C59 | C60 | H78 | 118.1° | 120.0° |
| C58 | C59 | C61 | H78 | 119.3° | 120.0° |
| C58 | C59 | C60 | H79 | 180.0° | 180.0° |
| C58 | C59 | C60 | H80 | 60.0° | 60.0° |
| C58 | C59 | C60 | H81 | 60.0° | 60.0° |
| C58 | C59 | C61 | H82 | 180.0° | 60.0° |
| C58 | C59 | C61 | H83 | 60.0° | 180.0° |
| C58 | C59 | C61 | H84 | 60.0° | 60.0° |
| C59 | C58 | C62 | O17 | 6.3° | 12.7° |
| C59 | C58 | C62 | O13 | 178.5° | 167.4° |
| C59 | C58 | N12 | C55 | 68.5° | 126.5° |
| C62 | C58 | C59 | C60 | 167.1° | 60.7° |
| C62 | C58 | C59 | C61 | 70.3° | 179.4° |
| C62 | C58 | C59 | H78 | 49.4° | 59.4° |
| C58 | C62 | O17 | O13 | 174.7° | 179.9° |
| C62 | C58 | N12 | C55 | 62.9° | 113.7° |
| H77 | C58 | C59 | C60 | 76.8° | 59.7° |
| H77 | C58 | C59 | C61 | 45.9° | 60.3° |
| H77 | C58 | C59 | H78 | 165.6° | 179.7° |
| H77 | C58 | C62 | O17 | 109.9° | 133.0° |
| H77 | C58 | C62 | O13 | 65.3° | 47.1° |
| H77 | C58 | N12 | C55 | 177.0° | 6.2° |
| C60 | C59 | C61 | H78 | 118.2° | 120.0° |
| C59 | C60 | H79 | H80 | 120.0° | 120.0° |
| C59 | C60 | H79 | H81 | 120.0° | 120.0° |
| C59 | C60 | H80 | H81 | 120.0° | 120.0° |
| C60 | C59 | C61 | H82 | 57.5° | 180.0° |
| C60 | C59 | C61 | H83 | 177.5° | 60.0° |
| C60 | C59 | C61 | H84 | 62.5° | 59.9° |
| C61 | C59 | C60 | H79 | 57.1° | 60.0° |
| C61 | C59 | C60 | H80 | 62.9° | 180.0° |
| C61 | C59 | C60 | H81 | 177.1° | 60.0° |
| C59 | C61 | H82 | H83 | 120.0° | 120.0° |
| C59 | C61 | H82 | H84 | 120.0° | 120.0° |
| C59 | C61 | H83 | H84 | 120.0° | 119.9° |
| H78 | C59 | C60 | H79 | 61.9° | 60.0° |
| H78 | C59 | C60 | H80 | 178.1° | 60.0° |
| H78 | C59 | C60 | H81 | 58.1° | 180.0° |
| H78 | C59 | C61 | H82 | 60.7° | 60.0° |
| H78 | C59 | C61 | H83 | 59.4° | 60.0° |
| H78 | C59 | C61 | H84 | 179.3° | 180.0° |
| H79 | C60 | H80 | H81 | 120.0° | 120.0° |
| H82 | C61 | H83 | H84 | 120.0° | 120.1° |
