PRD_000001
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.46Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| 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 | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| N2 | C5 | sing | 1.49Å | 1.47Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C9 | sing | 1.51Å | 1.53Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| 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 | 1.46Å | 1.47Å | |
| N3 | C14 | sing | 1.47Å | 1.48Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | O4 | doub | 1.21Å | 1.25Å | |
| C12 | C13 | sing | 1.54Å | 1.52Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| N4 | C15 | sing | 1.49Å | 1.46Å | |
| N4 | C17 | sing | 1.46Å | 1.47Å | |
| C15 | C16 | sing | 1.51Å | 1.54Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | O5 | doub | 1.21Å | 1.22Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| N5 | C18 | sing | 1.46Å | 1.45Å | |
| N5 | C19 | sing | 1.48Å | 1.48Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | C23 | sing | 1.51Å | 1.53Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.54Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | O6 | doub | 1.21Å | 1.20Å | |
| C24 | C25 | sing | 1.47Å | 1.50Å | |
| C24 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C34 | sing | 1.47Å | 1.44Å | Aromatic |
| C25 | O7 | doub | 1.22Å | 1.24Å | |
| C26 | N6 | sing | 1.38Å | 1.34Å | |
| C26 | C27 | sing | 1.47Å | 1.51Å | Aromatic |
| N6 | H39 | sing | 0.97Å | 1.00Å | |
| N6 | H40 | sing | 0.97Å | 1.00Å | |
| C27 | O8 | doub | 1.22Å | 1.22Å | |
| C27 | C28 | sing | 1.40Å | 1.45Å | Aromatic |
| C28 | C35 | doub | 1.38Å | 1.35Å | Aromatic |
| C28 | C38 | sing | 1.51Å | 1.51Å | |
| O9 | C35 | sing | 1.35Å | 1.36Å | Aromatic |
| O9 | C36 | sing | 1.35Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C39 | sing | 1.51Å | 1.51Å | |
| C30 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | H41 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | H42 | sing | 1.08Å | 1.08Å | |
| C32 | C33 | sing | 1.48Å | 1.52Å | |
| C32 | C37 | sing | 1.42Å | 1.41Å | Aromatic |
| C33 | O10 | doub | 1.22Å | 1.22Å | |
| N7 | C34 | doub | 1.32Å | 1.33Å | Aromatic |
| N7 | C37 | sing | 1.34Å | 1.38Å | Aromatic |
| C34 | C35 | sing | 1.47Å | 1.47Å | Aromatic |
| C36 | C37 | doub | 1.41Å | 1.40Å | Aromatic |
| C38 | H43 | sing | 1.09Å | 1.10Å | |
| C38 | H44 | sing | 1.09Å | 1.10Å | |
| C38 | H45 | sing | 1.09Å | 1.10Å | |
| C39 | H46 | sing | 1.09Å | 1.10Å | |
| C39 | H47 | sing | 1.09Å | 1.10Å | |
| C39 | H48 | sing | 1.09Å | 1.10Å | |
| N8 | C40 | sing | 1.46Å | 1.45Å | |
| N8 | H49 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | sing | 1.51Å | 1.54Å | |
| C40 | C42 | sing | 1.53Å | 1.52Å | |
| C40 | H50 | sing | 1.09Å | 1.10Å | |
| C41 | O11 | doub | 1.21Å | 1.23Å | |
| C42 | O12 | sing | 1.45Å | 1.46Å | |
| C42 | C43 | sing | 1.53Å | 1.50Å | |
| C42 | H51 | sing | 1.09Å | 1.10Å | |
| C43 | H52 | sing | 1.09Å | 1.10Å | |
| C43 | H53 | sing | 1.09Å | 1.10Å | |
| C43 | H54 | sing | 1.09Å | 1.10Å | |
| N9 | C44 | sing | 1.48Å | 1.46Å | |
| N9 | H55 | sing | 0.97Å | 1.00Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C44 | C48 | sing | 1.51Å | 1.53Å | |
| C44 | H56 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C45 | C47 | sing | 1.53Å | 1.52Å | |
| C45 | H57 | sing | 1.09Å | 1.10Å | |
| C46 | H58 | sing | 1.09Å | 1.10Å | |
| C46 | H59 | sing | 1.09Å | 1.10Å | |
| C46 | H60 | sing | 1.09Å | 1.10Å | |
| C47 | H61 | sing | 1.09Å | 1.10Å | |
| C47 | H62 | sing | 1.09Å | 1.10Å | |
| C47 | H63 | sing | 1.09Å | 1.10Å | |
| C48 | O13 | doub | 1.21Å | 1.24Å | |
| N10 | C49 | sing | 1.47Å | 1.48Å | |
| N10 | C53 | sing | 1.46Å | 1.46Å | |
| C49 | C50 | sing | 1.51Å | 1.51Å | |
| C49 | C51 | sing | 1.53Å | 1.58Å | |
| C49 | H64 | sing | 1.09Å | 1.10Å | |
| C50 | O14 | doub | 1.21Å | 1.23Å | |
| C51 | C52 | sing | 1.54Å | 1.52Å | |
| C51 | H65 | sing | 1.09Å | 1.10Å | |
| C51 | H66 | sing | 1.09Å | 1.10Å | |
| C52 | C53 | sing | 1.53Å | 1.49Å | |
| C52 | H67 | sing | 1.09Å | 1.10Å | |
| C52 | H68 | sing | 1.09Å | 1.10Å | |
| C53 | H69 | sing | 1.09Å | 1.10Å | |
| C53 | H70 | sing | 1.09Å | 1.10Å | |
| N11 | C54 | sing | 1.48Å | 1.45Å | |
| N11 | C56 | sing | 1.47Å | 1.49Å | |
| C54 | C55 | sing | 1.51Å | 1.54Å | |
| C54 | H71 | sing | 1.09Å | 1.10Å | |
| C54 | H72 | sing | 1.09Å | 1.10Å | |
| C55 | O15 | doub | 1.21Å | 1.22Å | |
| C56 | H73 | sing | 1.09Å | 1.10Å | |
| C56 | H74 | sing | 1.09Å | 1.10Å | |
| C56 | H75 | sing | 1.09Å | 1.10Å | |
| N12 | C57 | sing | 1.47Å | 1.46Å | |
| N12 | C58 | sing | 1.48Å | 1.48Å | |
| C57 | H76 | sing | 1.09Å | 1.10Å | |
| C57 | H77 | sing | 1.09Å | 1.10Å | |
| C57 | H78 | sing | 1.09Å | 1.10Å | |
| C58 | C59 | sing | 1.53Å | 1.52Å | |
| C58 | C62 | sing | 1.51Å | 1.51Å | |
| C58 | H79 | sing | 1.09Å | 1.10Å | |
| C59 | C60 | sing | 1.53Å | 1.55Å | |
| C59 | C61 | sing | 1.53Å | 1.43Å | |
| C59 | H80 | sing | 1.09Å | 1.10Å | |
| C60 | H81 | sing | 1.09Å | 1.10Å | |
| C60 | H82 | sing | 1.09Å | 1.10Å | |
| C60 | H83 | sing | 1.09Å | 1.10Å | |
| C61 | H84 | sing | 1.09Å | 1.10Å | |
| C61 | H85 | sing | 1.09Å | 1.10Å | |
| C61 | H86 | sing | 1.09Å | 1.10Å | |
| C62 | O16 | doub | 1.21Å | 1.20Å | |
| C2 | N2 | sing | 1.37Å | 1.34Å | |
| O2 | C23 | sing | 1.34Å | 1.34Å | |
| 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 | 1.35Å | |
| C41 | N9 | sing | 1.37Å | 1.33Å | |
| O12 | C62 | sing | 1.34Å | 1.36Å | |
| C48 | N10 | sing | 1.35Å | 1.36Å | |
| C50 | N11 | sing | 1.37Å | 1.34Å | |
| C55 | N12 | sing | 1.36Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 118.8° | 120.0° |
| N1 | C1 | C2 | 108.0° | 109.5° |
| N1 | C1 | C3 | 114.0° | 109.5° |
| N1 | C1 | H2 | 110.3° | 109.5° |
| C1 | N1 | C25 | 122.4° | 120.0° |
| H1 | N1 | C25 | 118.8° | 120.0° |
| C2 | C1 | C3 | 106.1° | 109.5° |
| C2 | C1 | H2 | 109.1° | 109.4° |
| C1 | C2 | O1 | 121.3° | 120.7° |
| C1 | C2 | N2 | 113.6° | 118.6° |
| C3 | C1 | H2 | 109.1° | 109.4° |
| C1 | C3 | O2 | 106.7° | 109.5° |
| C1 | C3 | C4 | 115.0° | 109.5° |
| C1 | C3 | H3 | 108.4° | 109.5° |
| O1 | C2 | N2 | 125.0° | 120.7° |
| O2 | C3 | C4 | 108.7° | 109.4° |
| O2 | C3 | H3 | 109.4° | 109.4° |
| C3 | O2 | C23 | 116.5° | 117.0° |
| C4 | C3 | H3 | 108.7° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H5 | 109.5° | 109.5° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.4° |
| H4 | C4 | H6 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.4° |
| C5 | N2 | H7 | 118.8° | 122.8° |
| N2 | C5 | C6 | 109.8° | 109.7° |
| N2 | C5 | C9 | 109.7° | 108.2° |
| N2 | C5 | H8 | 109.6° | 109.7° |
| C5 | N2 | C2 | 122.3° | 114.4° |
| H7 | N2 | C2 | 118.8° | 122.8° |
| C6 | C5 | C9 | 110.0° | 109.7° |
| C6 | C5 | H8 | 108.9° | 109.8° |
| C5 | C6 | C7 | 112.7° | 109.5° |
| C5 | C6 | C8 | 108.9° | 109.5° |
| C5 | C6 | H9 | 108.6° | 109.4° |
| C9 | C5 | H8 | 108.8° | 109.8° |
| C5 | C9 | O3 | 120.4° | 119.9° |
| C5 | C9 | N3 | 118.6° | 120.2° |
| C7 | C6 | C8 | 109.4° | 109.5° |
| C7 | C6 | H9 | 108.6° | 109.5° |
| C6 | C7 | H10 | 109.5° | 109.5° |
| C6 | C7 | H11 | 109.4° | 109.5° |
| C6 | C7 | H12 | 109.5° | 109.5° |
| C8 | C6 | H9 | 108.5° | 109.5° |
| 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° | 109.4° |
| H10 | C7 | H12 | 109.4° | 109.4° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.4° |
| H13 | C8 | H15 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| O3 | C9 | N3 | 120.9° | 119.9° |
| C10 | N3 | C14 | 111.9° | 109.0° |
| N3 | C10 | C11 | 111.6° | 109.6° |
| N3 | C10 | C12 | 103.2° | 107.9° |
| N3 | C10 | H16 | 111.3° | 109.8° |
| C10 | N3 | C9 | 126.9° | 125.4° |
| N3 | C14 | C13 | 103.8° | 107.7° |
| N3 | C14 | H21 | 110.9° | 109.8° |
| N3 | C14 | H22 | 110.8° | 109.8° |
| C14 | N3 | C9 | 120.1° | 125.6° |
| C11 | C10 | C12 | 109.4° | 109.9° |
| C11 | C10 | H16 | 110.7° | 109.8° |
| C10 | C11 | O4 | 118.7° | 120.8° |
| C10 | C11 | N4 | 119.9° | 118.4° |
| C12 | C10 | H16 | 110.4° | 109.9° |
| C10 | C12 | C13 | 104.7° | 106.1° |
| C10 | C12 | H17 | 110.7° | 110.1° |
| C10 | C12 | H18 | 110.6° | 110.2° |
| O4 | C11 | N4 | 121.3° | 120.8° |
| C13 | C12 | H17 | 110.6° | 110.1° |
| C13 | C12 | H18 | 110.7° | 110.2° |
| C12 | C13 | C14 | 103.9° | 106.0° |
| C12 | C13 | H19 | 110.8° | 110.2° |
| C12 | C13 | H20 | 110.9° | 110.1° |
| H17 | C12 | H18 | 109.5° | 110.1° |
| C14 | C13 | H19 | 110.9° | 110.2° |
| C14 | C13 | H20 | 110.9° | 110.2° |
| C13 | C14 | H21 | 110.9° | 109.8° |
| C13 | C14 | H22 | 110.9° | 109.9° |
| H19 | C13 | H20 | 109.5° | 110.1° |
| H21 | C14 | H22 | 109.5° | 109.8° |
| C15 | N4 | C17 | 115.6° | 122.7° |
| N4 | C15 | C16 | 112.2° | 108.3° |
| N4 | C15 | H23 | 108.8° | 109.7° |
| N4 | C15 | H24 | 108.8° | 109.7° |
| C15 | N4 | C11 | 126.8° | 114.4° |
| N4 | C17 | H25 | 109.5° | 109.5° |
| N4 | C17 | H26 | 109.4° | 109.5° |
| N4 | C17 | H27 | 109.5° | 109.4° |
| C17 | N4 | C11 | 117.6° | 122.8° |
| C16 | C15 | H23 | 108.8° | 109.7° |
| C16 | C15 | H24 | 108.8° | 109.6° |
| C15 | C16 | O5 | 120.8° | 120.4° |
| C15 | C16 | N5 | 116.7° | 119.1° |
| H23 | C15 | H24 | 109.5° | 109.8° |
| O5 | C16 | N5 | 122.5° | 120.5° |
| H25 | C17 | H26 | 109.5° | 109.5° |
| H25 | C17 | H27 | 109.5° | 109.5° |
| H26 | C17 | H27 | 109.5° | 109.5° |
| C18 | N5 | C19 | 117.2° | 122.0° |
| N5 | C18 | H28 | 109.5° | 109.5° |
| N5 | C18 | H29 | 109.5° | 109.5° |
| N5 | C18 | H30 | 109.5° | 109.5° |
| C18 | N5 | C16 | 125.1° | 122.0° |
| N5 | C19 | C20 | 114.4° | 109.6° |
| N5 | C19 | C23 | 111.2° | 108.8° |
| N5 | C19 | H31 | 106.3° | 109.6° |
| C19 | N5 | C16 | 117.3° | 116.0° |
| H28 | C18 | H29 | 109.5° | 109.5° |
| H28 | C18 | H30 | 109.5° | 109.5° |
| H29 | C18 | H30 | 109.5° | 109.4° |
| C20 | C19 | C23 | 112.7° | 109.6° |
| C20 | C19 | H31 | 105.7° | 109.6° |
| C19 | C20 | C21 | 111.3° | 109.5° |
| C19 | C20 | C22 | 110.0° | 109.5° |
| C19 | C20 | H32 | 108.6° | 109.5° |
| C23 | C19 | H31 | 105.8° | 109.6° |
| C19 | C23 | O6 | 124.9° | 119.9° |
| C19 | C23 | O2 | 110.6° | 120.2° |
| C21 | C20 | C22 | 109.3° | 109.5° |
| C21 | C20 | H32 | 108.8° | 109.4° |
| C20 | C21 | H33 | 109.5° | 109.5° |
| C20 | C21 | H34 | 109.4° | 109.4° |
| C20 | C21 | H35 | 109.5° | 109.5° |
| C22 | C20 | H32 | 108.7° | 109.4° |
| C20 | C22 | H36 | 109.5° | 109.5° |
| C20 | C22 | H37 | 109.5° | 109.5° |
| C20 | C22 | H38 | 109.5° | 109.5° |
| H33 | C21 | H34 | 109.5° | 109.4° |
| H33 | C21 | H35 | 109.5° | 109.5° |
| H34 | C21 | H35 | 109.5° | 109.5° |
| H36 | C22 | H37 | 109.5° | 109.5° |
| H36 | C22 | H38 | 109.5° | 109.5° |
| H37 | C22 | H38 | 109.5° | 109.5° |
| O6 | C23 | O2 | 124.4° | 120.0° |
| C25 | C24 | C26 | 118.9° | 120.5° |
| C25 | C24 | C34 | 122.9° | 120.6° |
| C24 | C25 | O7 | 122.2° | 120.0° |
| C24 | C25 | N1 | 116.3° | 120.0° |
| C26 | C24 | C34 | 118.2° | 118.9° |
| C24 | C26 | N6 | 124.7° | 120.0° |
| C24 | C26 | C27 | 121.5° | 119.9° |
| C24 | C34 | N7 | 119.9° | 120.8° |
| C24 | C34 | C35 | 117.9° | 119.4° |
| O7 | C25 | N1 | 121.1° | 120.0° |
| N6 | C26 | C27 | 113.8° | 120.1° |
| C26 | N6 | H39 | 109.5° | 120.0° |
| C26 | N6 | H40 | 109.5° | 120.0° |
| C26 | C27 | O8 | 118.6° | 119.5° |
| C26 | C27 | C28 | 118.2° | 120.9° |
| H39 | N6 | H40 | 109.5° | 120.0° |
| O8 | C27 | C28 | 123.1° | 119.6° |
| C27 | C28 | C35 | 117.6° | 120.8° |
| C27 | C28 | C38 | 119.1° | 119.6° |
| C35 | C28 | C38 | 123.2° | 119.6° |
| C28 | C35 | O9 | 117.1° | 120.8° |
| C28 | C35 | C34 | 125.3° | 120.1° |
| C28 | C38 | H43 | 109.5° | 109.5° |
| C28 | C38 | H44 | 109.5° | 109.5° |
| C28 | C38 | H45 | 109.5° | 109.5° |
| C35 | O9 | C36 | 120.7° | 119.3° |
| O9 | C35 | C34 | 117.5° | 119.1° |
| O9 | C36 | C29 | 116.7° | 119.8° |
| O9 | C36 | C37 | 118.5° | 120.5° |
| C30 | C29 | C36 | 116.0° | 120.4° |
| C30 | C29 | C39 | 123.5° | 119.8° |
| C29 | C30 | C31 | 121.7° | 120.8° |
| C29 | C30 | H41 | 119.2° | 119.6° |
| C36 | C29 | C39 | 120.4° | 119.9° |
| C29 | C36 | C37 | 124.7° | 119.7° |
| C29 | C39 | H46 | 109.5° | 109.5° |
| C29 | C39 | H47 | 109.5° | 109.4° |
| C29 | C39 | H48 | 109.4° | 109.5° |
| C31 | C30 | H41 | 119.1° | 119.6° |
| C30 | C31 | C32 | 121.6° | 120.3° |
| C30 | C31 | H42 | 119.2° | 119.8° |
| C32 | C31 | H42 | 119.2° | 119.9° |
| C31 | C32 | C33 | 116.6° | 120.2° |
| C31 | C32 | C37 | 118.6° | 119.6° |
| C33 | C32 | C37 | 124.5° | 120.2° |
| C32 | C33 | O10 | 118.5° | 120.0° |
| C32 | C33 | N8 | 118.9° | 120.0° |
| C32 | C37 | N7 | 120.3° | 119.8° |
| C32 | C37 | C36 | 117.4° | 119.3° |
| O10 | C33 | N8 | 122.5° | 120.0° |
| C34 | N7 | C37 | 118.1° | 120.3° |
| N7 | C34 | C35 | 122.1° | 119.8° |
| N7 | C37 | C36 | 122.2° | 120.9° |
| H43 | C38 | H44 | 109.5° | 109.5° |
| H43 | C38 | H45 | 109.5° | 109.4° |
| H44 | C38 | H45 | 109.4° | 109.5° |
| H46 | C39 | H47 | 109.5° | 109.4° |
| H46 | C39 | H48 | 109.5° | 109.5° |
| H47 | C39 | H48 | 109.5° | 109.5° |
| C40 | N8 | H49 | 120.2° | 120.0° |
| N8 | C40 | C41 | 111.8° | 109.5° |
| N8 | C40 | C42 | 114.2° | 109.5° |
| N8 | C40 | H50 | 108.3° | 109.5° |
| C40 | N8 | C33 | 119.6° | 120.0° |
| H49 | N8 | C33 | 120.2° | 120.0° |
| C41 | C40 | C42 | 107.6° | 109.5° |
| C41 | C40 | H50 | 107.3° | 109.5° |
| C40 | C41 | O11 | 122.2° | 120.7° |
| C40 | C41 | N9 | 113.6° | 118.6° |
| C42 | C40 | H50 | 107.5° | 109.4° |
| C40 | C42 | O12 | 106.0° | 109.5° |
| C40 | C42 | C43 | 117.0° | 109.5° |
| C40 | C42 | H51 | 108.4° | 109.5° |
| O11 | C41 | N9 | 124.1° | 120.7° |
| O12 | C42 | C43 | 107.4° | 109.5° |
| O12 | C42 | H51 | 109.2° | 109.4° |
| C42 | O12 | C62 | 118.1° | 116.9° |
| C43 | C42 | H51 | 108.6° | 109.4° |
| C42 | C43 | H52 | 109.5° | 109.5° |
| C42 | C43 | H53 | 109.4° | 109.5° |
| C42 | C43 | H54 | 109.4° | 109.4° |
| H52 | C43 | H53 | 109.5° | 109.5° |
| H52 | C43 | H54 | 109.5° | 109.4° |
| H53 | C43 | H54 | 109.5° | 109.5° |
| C44 | N9 | H55 | 118.4° | 122.8° |
| N9 | C44 | C45 | 109.8° | 109.7° |
| N9 | C44 | C48 | 109.9° | 108.2° |
| N9 | C44 | H56 | 109.7° | 109.7° |
| C44 | N9 | C41 | 123.2° | 114.4° |
| H55 | N9 | C41 | 118.4° | 122.8° |
| C45 | C44 | C48 | 109.9° | 109.8° |
| C45 | C44 | H56 | 108.7° | 109.7° |
| C44 | C45 | C46 | 110.9° | 109.4° |
| C44 | C45 | C47 | 110.9° | 109.5° |
| C44 | C45 | H57 | 108.2° | 109.5° |
| C48 | C44 | H56 | 108.8° | 109.7° |
| C44 | C48 | O13 | 120.8° | 119.9° |
| C44 | C48 | N10 | 118.9° | 120.2° |
| C46 | C45 | C47 | 110.1° | 109.5° |
| C46 | C45 | H57 | 108.4° | 109.5° |
| C45 | C46 | H58 | 109.5° | 109.4° |
| C45 | C46 | H59 | 109.5° | 109.5° |
| C45 | C46 | H60 | 109.4° | 109.5° |
| C47 | C45 | H57 | 108.3° | 109.5° |
| C45 | C47 | H61 | 109.5° | 109.5° |
| C45 | C47 | H62 | 109.4° | 109.5° |
| C45 | C47 | H63 | 109.5° | 109.5° |
| H58 | C46 | H59 | 109.5° | 109.5° |
| H58 | C46 | H60 | 109.5° | 109.4° |
| H59 | C46 | H60 | 109.5° | 109.5° |
| H61 | C47 | H62 | 109.5° | 109.4° |
| H61 | C47 | H63 | 109.4° | 109.5° |
| H62 | C47 | H63 | 109.5° | 109.5° |
| O13 | C48 | N10 | 120.2° | 119.9° |
| C49 | N10 | C53 | 113.3° | 109.0° |
| N10 | C49 | C50 | 112.3° | 109.6° |
| N10 | C49 | C51 | 99.8° | 107.8° |
| N10 | C49 | H64 | 111.9° | 109.8° |
| C49 | N10 | C48 | 125.0° | 125.3° |
| N10 | C53 | C52 | 103.9° | 107.7° |
| N10 | C53 | H69 | 110.9° | 109.8° |
| N10 | C53 | H70 | 110.9° | 109.8° |
| C53 | N10 | C48 | 120.4° | 125.7° |
| C50 | C49 | C51 | 110.3° | 109.9° |
| C50 | C49 | H64 | 111.5° | 109.8° |
| C49 | C50 | O14 | 119.9° | 120.8° |
| C49 | C50 | N11 | 118.1° | 118.4° |
| C51 | C49 | H64 | 110.5° | 109.9° |
| C49 | C51 | C52 | 103.9° | 106.2° |
| C49 | C51 | H65 | 110.9° | 110.1° |
| C49 | C51 | H66 | 110.9° | 110.1° |
| O14 | C50 | N11 | 121.7° | 120.8° |
| C52 | C51 | H65 | 110.8° | 110.1° |
| C52 | C51 | H66 | 110.8° | 110.1° |
| C51 | C52 | C53 | 102.8° | 106.0° |
| C51 | C52 | H67 | 111.1° | 110.1° |
| C51 | C52 | H68 | 111.1° | 110.2° |
| H65 | C51 | H66 | 109.5° | 110.1° |
| C53 | C52 | H67 | 111.1° | 110.2° |
| C53 | C52 | H68 | 111.1° | 110.2° |
| C52 | C53 | H69 | 110.9° | 109.8° |
| C52 | C53 | H70 | 110.9° | 109.9° |
| H67 | C52 | H68 | 109.5° | 110.1° |
| H69 | C53 | H70 | 109.4° | 109.8° |
| C54 | N11 | C56 | 116.2° | 122.8° |
| N11 | C54 | C55 | 112.0° | 108.3° |
| N11 | C54 | H71 | 108.8° | 109.7° |
| N11 | C54 | H72 | 108.9° | 109.7° |
| C54 | N11 | C50 | 124.4° | 114.5° |
| N11 | C56 | H73 | 109.5° | 109.5° |
| N11 | C56 | H74 | 109.5° | 109.5° |
| N11 | C56 | H75 | 109.5° | 109.5° |
| C56 | N11 | C50 | 118.0° | 122.8° |
| C55 | C54 | H71 | 108.8° | 109.7° |
| C55 | C54 | H72 | 108.8° | 109.7° |
| C54 | C55 | O15 | 120.2° | 120.4° |
| C54 | C55 | N12 | 117.3° | 119.0° |
| H71 | C54 | H72 | 109.5° | 109.7° |
| O15 | C55 | N12 | 122.5° | 120.5° |
| H73 | C56 | H74 | 109.5° | 109.4° |
| H73 | C56 | H75 | 109.4° | 109.5° |
| H74 | C56 | H75 | 109.5° | 109.5° |
| C57 | N12 | C58 | 119.1° | 122.0° |
| N12 | C57 | H76 | 109.5° | 109.4° |
| N12 | C57 | H77 | 109.5° | 109.5° |
| N12 | C57 | H78 | 109.5° | 109.5° |
| C57 | N12 | C55 | 123.0° | 122.0° |
| N12 | C58 | C59 | 111.6° | 109.6° |
| N12 | C58 | C62 | 112.1° | 108.9° |
| N12 | C58 | H79 | 105.2° | 109.6° |
| C58 | N12 | C55 | 117.8° | 116.0° |
| H76 | C57 | H77 | 109.5° | 109.4° |
| H76 | C57 | H78 | 109.4° | 109.5° |
| H77 | C57 | H78 | 109.5° | 109.5° |
| C59 | C58 | C62 | 117.1° | 109.6° |
| C59 | C58 | H79 | 104.7° | 109.6° |
| C58 | C59 | C60 | 108.1° | 109.5° |
| C58 | C59 | C61 | 112.2° | 109.5° |
| C58 | C59 | H80 | 108.7° | 109.4° |
| C62 | C58 | H79 | 104.9° | 109.6° |
| C58 | C62 | O16 | 126.8° | 119.9° |
| C58 | C62 | O12 | 109.2° | 120.1° |
| C60 | C59 | C61 | 109.6° | 109.5° |
| C60 | C59 | H80 | 108.3° | 109.5° |
| C59 | C60 | H81 | 109.5° | 109.5° |
| C59 | C60 | H82 | 109.4° | 109.4° |
| C59 | C60 | H83 | 109.5° | 109.5° |
| C61 | C59 | H80 | 109.9° | 109.5° |
| C59 | C61 | H84 | 109.5° | 109.5° |
| C59 | C61 | H85 | 109.5° | 109.5° |
| C59 | C61 | H86 | 109.5° | 109.5° |
| H81 | C60 | H82 | 109.4° | 109.4° |
| H81 | C60 | H83 | 109.5° | 109.5° |
| H82 | C60 | H83 | 109.5° | 109.5° |
| H84 | C61 | H85 | 109.5° | 109.5° |
| H84 | C61 | H86 | 109.4° | 109.5° |
| H85 | C61 | H86 | 109.5° | 109.4° |
| O16 | C62 | O12 | 123.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C25 | 180.0° | 179.6° |
| N1 | C1 | C2 | C3 | 122.6° | 120.0° |
| N1 | C1 | C2 | H2 | 119.9° | 120.0° |
| N1 | C1 | C3 | H2 | 123.8° | 120.0° |
| N1 | C1 | C2 | O1 | 20.8° | 114.3° |
| N1 | C1 | C3 | O2 | 63.9° | 59.8° |
| N1 | C1 | C3 | C4 | 56.6° | 60.2° |
| N1 | C1 | C3 | H3 | 178.4° | 179.7° |
| C1 | N1 | C25 | C24 | 179.3° | 174.3° |
| C1 | N1 | C25 | O7 | 7.6° | 5.7° |
| N1 | C1 | C2 | N2 | 163.6° | 65.6° |
| H1 | N1 | C1 | C2 | 27.4° | 81.8° |
| H1 | N1 | C1 | C3 | 90.3° | 38.3° |
| H1 | N1 | C1 | H2 | 146.6° | 158.3° |
| H1 | N1 | C25 | C24 | 0.7° | 6.1° |
| H1 | N1 | C25 | O7 | 172.4° | 173.9° |
| C2 | C1 | C3 | H2 | 117.4° | 119.9° |
| C1 | C2 | O1 | N2 | 175.0° | 179.9° |
| C2 | C1 | C3 | O2 | 54.8° | 60.3° |
| C2 | C1 | C3 | C4 | 175.4° | 179.7° |
| C2 | C1 | C3 | H3 | 62.8° | 59.7° |
| C1 | C2 | N2 | C5 | 159.4° | 179.5° |
| C1 | C2 | N2 | H7 | 20.7° | 0.5° |
| C2 | C1 | N1 | C25 | 152.5° | 97.9° |
| C3 | C1 | C2 | O1 | 101.8° | 5.7° |
| C1 | C3 | O2 | C4 | 124.5° | 120.1° |
| C1 | C3 | O2 | H3 | 117.0° | 120.0° |
| C1 | C3 | C4 | H3 | 121.6° | 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 | 73.7° | 174.4° |
| C1 | C3 | O2 | C23 | 157.0° | 176.0° |
| C3 | C1 | N1 | C25 | 89.8° | 142.1° |
| H2 | C1 | C2 | O1 | 140.8° | 125.7° |
| H2 | C1 | C3 | O2 | 172.2° | 179.8° |
| H2 | C1 | C3 | C4 | 67.2° | 59.8° |
| H2 | C1 | C3 | H3 | 54.6° | 60.3° |
| H2 | C1 | C2 | N2 | 43.7° | 54.5° |
| H2 | C1 | N1 | C25 | 33.4° | 22.1° |
| O1 | C2 | N2 | C5 | 16.0° | 0.4° |
| O1 | C2 | N2 | H7 | 164.0° | 179.6° |
| O2 | C3 | C4 | H3 | 118.9° | 119.9° |
| O2 | C3 | C4 | H4 | 60.5° | 60.1° |
| O2 | C3 | C4 | H5 | 179.5° | 59.9° |
| O2 | C3 | C4 | H6 | 59.5° | 179.9° |
| C3 | O2 | C23 | C19 | 174.2° | 179.9° |
| C3 | O2 | C23 | O6 | 1.7° | 0.1° |
| C3 | C4 | H4 | H5 | 120.0° | 120.1° |
| C3 | C4 | H4 | H6 | 120.0° | 120.0° |
| C3 | C4 | H5 | H6 | 120.0° | 120.0° |
| C4 | C3 | O2 | C23 | 78.5° | 64.0° |
| H3 | C3 | C4 | H4 | 58.4° | 180.0° |
| H3 | C3 | C4 | H5 | 61.6° | 60.0° |
| H3 | C3 | C4 | H6 | 178.4° | 60.0° |
| H3 | C3 | O2 | C23 | 40.0° | 56.0° |
| H4 | C4 | H5 | H6 | 120.0° | 119.9° |
| C5 | N2 | H7 | C2 | 180.0° | 180.0° |
| N2 | C5 | C6 | C9 | 120.8° | 118.7° |
| N2 | C5 | C6 | H8 | 120.0° | 120.6° |
| N2 | C5 | C9 | H8 | 119.9° | 119.6° |
| N2 | C5 | C6 | C7 | 52.2° | 63.0° |
| N2 | C5 | C6 | C8 | 173.8° | 57.0° |
| N2 | C5 | C6 | H9 | 68.2° | 177.0° |
| N2 | C5 | C9 | O3 | 65.9° | 13.6° |
| N2 | C5 | C9 | N3 | 116.5° | 166.4° |
| H7 | N2 | C5 | C6 | 30.0° | 14.8° |
| H7 | N2 | C5 | C9 | 91.1° | 134.4° |
| H7 | N2 | C5 | H8 | 149.5° | 105.9° |
| C6 | C5 | C9 | H8 | 119.2° | 120.7° |
| C5 | C6 | C7 | C8 | 121.3° | 120.0° |
| C5 | C6 | C7 | H9 | 120.4° | 120.0° |
| C5 | C6 | C8 | H9 | 118.1° | 119.9° |
| 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° | 54.8° |
| C5 | C6 | C8 | H14 | 60.0° | 174.8° |
| C5 | C6 | C8 | H15 | 60.0° | 65.2° |
| C6 | C5 | C9 | O3 | 55.0° | 133.2° |
| C6 | C5 | N2 | C2 | 150.0° | 165.3° |
| C6 | C5 | C9 | N3 | 122.6° | 46.8° |
| C9 | C5 | C6 | C7 | 173.0° | 55.7° |
| C9 | C5 | C6 | C8 | 65.4° | 175.8° |
| C9 | C5 | C6 | H9 | 52.6° | 64.3° |
| C5 | C9 | O3 | N3 | 177.6° | 180.0° |
| C5 | C9 | N3 | C10 | 15.3° | 179.6° |
| C5 | C9 | N3 | C14 | 177.4° | 0.5° |
| C9 | C5 | N2 | C2 | 88.9° | 45.6° |
| H8 | C5 | C6 | C7 | 67.8° | 176.4° |
| H8 | C5 | C6 | C8 | 53.8° | 63.5° |
| H8 | C5 | C6 | H9 | 171.8° | 56.4° |
| H8 | C5 | C9 | O3 | 174.2° | 106.1° |
| H8 | C5 | N2 | C2 | 30.5° | 74.1° |
| H8 | C5 | C9 | N3 | 3.4° | 73.9° |
| C7 | C6 | C8 | H9 | 118.3° | 120.0° |
| C6 | C7 | H10 | H11 | 120.0° | 120.0° |
| C6 | C7 | H10 | H12 | 120.0° | 120.0° |
| C6 | C7 | H11 | H12 | 120.0° | 120.1° |
| C7 | C6 | C8 | H13 | 56.4° | 174.9° |
| C7 | C6 | C8 | H14 | 63.6° | 65.2° |
| C7 | C6 | C8 | H15 | 176.4° | 54.8° |
| C8 | C6 | C7 | H10 | 58.6° | 60.0° |
| C8 | C6 | C7 | H11 | 178.7° | 60.0° |
| C8 | C6 | C7 | H12 | 61.3° | 180.0° |
| C6 | C8 | H13 | H14 | 120.0° | 120.0° |
| C6 | C8 | H13 | H15 | 120.0° | 120.0° |
| C6 | C8 | H14 | H15 | 120.0° | 120.0° |
| H9 | C6 | C7 | H10 | 59.6° | 180.0° |
| H9 | C6 | C7 | H11 | 60.4° | 60.1° |
| H9 | C6 | C7 | H12 | 179.6° | 60.0° |
| H9 | C6 | C8 | H13 | 61.9° | 65.1° |
| H9 | C6 | C8 | H14 | 178.1° | 54.9° |
| H9 | C6 | C8 | H15 | 58.1° | 174.9° |
| H10 | C7 | H11 | H12 | 120.0° | 119.9° |
| H13 | C8 | H14 | H15 | 120.0° | 120.0° |
| O3 | C9 | N3 | C10 | 167.1° | 0.4° |
| O3 | C9 | N3 | C14 | 0.2° | 179.5° |
| C10 | N3 | C14 | C9 | 169.1° | 179.9° |
| N3 | C10 | C11 | C12 | 113.5° | 118.4° |
| N3 | C10 | C11 | H16 | 124.6° | 120.7° |
| N3 | C10 | C12 | H16 | 119.0° | 119.6° |
| N3 | C10 | C11 | O4 | 42.3° | 59.6° |
| N3 | C10 | C12 | C13 | 27.2° | 9.3° |
| N3 | C10 | C12 | H17 | 146.5° | 109.9° |
| N3 | C10 | C12 | H18 | 92.0° | 128.5° |
| C10 | N3 | C14 | C13 | 13.5° | 18.8° |
| C10 | N3 | C14 | H21 | 105.6° | 100.7° |
| C10 | N3 | C14 | H22 | 132.6° | 138.4° |
| N3 | C10 | C11 | N4 | 142.1° | 120.3° |
| C14 | N3 | C10 | C11 | 108.8° | 137.2° |
| C14 | N3 | C10 | C12 | 8.5° | 17.6° |
| C14 | N3 | C10 | H16 | 126.9° | 102.1° |
| N3 | C14 | C13 | C12 | 30.1° | 12.4° |
| N3 | C14 | C13 | H21 | 119.1° | 119.5° |
| N3 | C14 | C13 | H22 | 119.1° | 119.6° |
| N3 | C14 | C13 | H19 | 89.0° | 106.7° |
| N3 | C14 | C13 | H20 | 149.2° | 131.6° |
| N3 | C14 | H21 | H22 | 122.6° | 120.9° |
| C11 | C10 | C12 | H16 | 122.0° | 120.9° |
| C10 | C11 | O4 | N4 | 175.5° | 179.9° |
| C11 | C10 | C12 | C13 | 91.7° | 128.8° |
| C11 | C10 | C12 | H17 | 27.5° | 9.6° |
| C11 | C10 | C12 | H18 | 149.0° | 112.0° |
| C10 | C11 | N4 | C15 | 4.6° | 178.7° |
| C10 | C11 | N4 | C17 | 174.8° | 1.3° |
| C11 | C10 | N3 | C9 | 83.0° | 42.7° |
| C12 | C10 | C11 | O4 | 71.2° | 58.8° |
| C10 | C12 | C13 | H17 | 119.3° | 119.2° |
| C10 | C12 | C13 | H18 | 119.3° | 119.2° |
| C10 | C12 | H17 | H18 | 122.2° | 121.7° |
| C10 | C12 | C13 | C14 | 35.9° | 1.9° |
| C10 | C12 | C13 | H19 | 83.2° | 117.3° |
| C10 | C12 | C13 | H20 | 155.0° | 121.1° |
| C12 | C10 | N3 | C9 | 159.7° | 162.3° |
| C12 | C10 | C11 | N4 | 104.3° | 121.3° |
| H16 | C10 | C11 | O4 | 166.9° | 179.7° |
| H16 | C10 | C12 | C13 | 146.2° | 110.3° |
| H16 | C10 | C12 | H17 | 94.5° | 130.5° |
| H16 | C10 | C12 | H18 | 27.0° | 8.9° |
| H16 | C10 | N3 | C9 | 41.3° | 78.0° |
| H16 | C10 | C11 | N4 | 17.5° | 0.4° |
| O4 | C11 | N4 | C15 | 179.9° | 1.2° |
| O4 | C11 | N4 | C17 | 0.7° | 178.7° |
| C13 | C12 | H17 | H18 | 122.2° | 121.6° |
| C12 | C13 | C14 | H19 | 119.1° | 119.2° |
| C12 | C13 | C14 | H20 | 119.1° | 119.1° |
| C12 | C13 | H19 | H20 | 122.6° | 121.7° |
| C12 | C13 | C14 | H21 | 89.0° | 107.1° |
| C12 | C13 | C14 | H22 | 149.2° | 132.0° |
| H17 | C12 | C13 | C14 | 155.2° | 121.1° |
| H17 | C12 | C13 | H19 | 36.1° | 1.9° |
| H17 | C12 | C13 | H20 | 85.7° | 119.7° |
| H18 | C12 | C13 | C14 | 83.4° | 117.3° |
| H18 | C12 | C13 | H19 | 157.5° | 123.5° |
| H18 | C12 | C13 | H20 | 35.8° | 1.8° |
| C14 | C13 | H19 | H20 | 122.6° | 121.8° |
| C13 | C14 | H21 | H22 | 122.6° | 120.9° |
| C13 | C14 | N3 | C9 | 177.4° | 161.1° |
| H19 | C13 | C14 | H21 | 151.9° | 133.8° |
| H19 | C13 | C14 | H22 | 30.1° | 12.9° |
| H20 | C13 | C14 | H21 | 30.1° | 12.1° |
| H20 | C13 | C14 | H22 | 91.7° | 108.8° |
| H21 | C14 | N3 | C9 | 63.5° | 79.4° |
| H22 | C14 | N3 | C9 | 58.3° | 41.5° |
| C15 | N4 | C17 | C11 | 179.5° | 179.9° |
| N4 | C15 | C16 | H23 | 120.4° | 119.7° |
| N4 | C15 | C16 | H24 | 120.4° | 119.6° |
| N4 | C15 | H23 | H24 | 118.8° | 120.6° |
| N4 | C15 | C16 | O5 | 13.8° | 45.3° |
| C15 | N4 | C17 | H25 | 180.0° | 116.3° |
| C15 | N4 | C17 | H26 | 60.0° | 3.8° |
| C15 | N4 | C17 | H27 | 60.0° | 123.7° |
| N4 | C15 | C16 | N5 | 166.5° | 134.7° |
| C17 | N4 | C15 | C16 | 72.2° | 61.1° |
| C17 | N4 | C15 | H23 | 167.4° | 58.7° |
| C17 | N4 | C15 | H24 | 48.2° | 179.3° |
| N4 | C17 | H25 | H26 | 120.0° | 120.1° |
| N4 | C17 | H25 | H27 | 120.0° | 119.9° |
| N4 | C17 | H26 | H27 | 120.0° | 120.0° |
| C16 | C15 | H23 | H24 | 118.7° | 120.6° |
| C15 | C16 | O5 | N5 | 179.6° | 180.0° |
| C15 | C16 | N5 | C18 | 7.7° | 2.4° |
| C15 | C16 | N5 | C19 | 179.0° | 177.6° |
| C16 | C15 | N4 | C11 | 108.4° | 119.0° |
| H23 | C15 | C16 | O5 | 106.6° | 74.4° |
| H23 | C15 | N4 | C11 | 12.0° | 121.3° |
| H23 | C15 | C16 | N5 | 73.1° | 105.6° |
| H24 | C15 | C16 | O5 | 134.3° | 164.9° |
| H24 | C15 | N4 | C11 | 131.2° | 0.6° |
| H24 | C15 | C16 | N5 | 46.1° | 15.1° |
| O5 | C16 | N5 | C18 | 171.9° | 177.6° |
| O5 | C16 | N5 | C19 | 1.3° | 2.4° |
| H25 | C17 | H26 | H27 | 120.0° | 120.0° |
| H25 | C17 | N4 | C11 | 0.5° | 63.7° |
| H26 | C17 | N4 | C11 | 120.5° | 176.3° |
| H27 | C17 | N4 | C11 | 119.5° | 56.3° |
| C18 | N5 | C19 | C16 | 173.8° | 180.0° |
| N5 | C18 | H28 | H29 | 120.0° | 120.0° |
| N5 | C18 | H28 | H30 | 120.0° | 120.0° |
| N5 | C18 | H29 | H30 | 120.0° | 120.0° |
| C18 | N5 | C19 | C20 | 112.2° | 53.5° |
| C18 | N5 | C19 | C23 | 118.6° | 66.4° |
| C18 | N5 | C19 | H31 | 4.0° | 173.8° |
| C19 | N5 | C18 | H28 | 180.0° | 115.1° |
| C19 | N5 | C18 | H29 | 60.0° | 4.9° |
| C19 | N5 | C18 | H30 | 60.0° | 124.8° |
| N5 | C19 | C20 | C23 | 128.4° | 119.3° |
| N5 | C19 | C20 | H31 | 116.6° | 120.3° |
| N5 | C19 | C23 | H31 | 114.9° | 119.8° |
| N5 | C19 | C20 | C21 | 38.6° | 174.8° |
| N5 | C19 | C20 | C22 | 159.9° | 54.8° |
| N5 | C19 | C20 | H32 | 81.2° | 65.2° |
| N5 | C19 | C23 | O6 | 137.3° | 107.2° |
| N5 | C19 | C23 | O2 | 46.8° | 72.8° |
| H28 | C18 | H29 | H30 | 120.0° | 120.0° |
| H28 | C18 | N5 | C16 | 6.8° | 64.9° |
| H29 | C18 | N5 | C16 | 126.8° | 175.1° |
| H30 | C18 | N5 | C16 | 113.2° | 55.1° |
| C20 | C19 | C23 | H31 | 115.0° | 120.3° |
| C19 | C20 | C21 | C22 | 121.7° | 120.0° |
| C19 | C20 | C21 | H32 | 119.7° | 120.0° |
| C19 | C20 | C22 | H32 | 118.9° | 120.0° |
| C19 | C20 | C21 | H33 | 180.0° | 64.8° |
| C19 | C20 | C21 | H34 | 60.0° | 175.3° |
| C19 | C20 | C21 | H35 | 60.0° | 55.2° |
| C19 | C20 | C22 | H36 | 180.0° | 54.9° |
| C19 | C20 | C22 | H37 | 60.0° | 65.1° |
| C19 | C20 | C22 | H38 | 60.0° | 174.9° |
| C20 | C19 | C23 | O6 | 7.3° | 12.7° |
| C20 | C19 | C23 | O2 | 176.9° | 167.3° |
| C20 | C19 | N5 | C16 | 74.0° | 126.4° |
| C23 | C19 | C20 | C21 | 166.9° | 65.8° |
| C23 | C19 | C20 | C22 | 71.8° | 174.1° |
| C23 | C19 | C20 | H32 | 47.1° | 54.1° |
| C19 | C23 | O6 | O2 | 175.3° | 180.0° |
| C23 | C19 | N5 | C16 | 55.2° | 113.7° |
| H31 | C19 | C20 | C21 | 78.0° | 54.5° |
| H31 | C19 | C20 | C22 | 43.3° | 65.5° |
| H31 | C19 | C20 | H32 | 162.2° | 174.5° |
| H31 | C19 | C23 | O6 | 107.7° | 133.0° |
| H31 | C19 | C23 | O2 | 68.1° | 47.0° |
| H31 | C19 | N5 | C16 | 169.8° | 6.1° |
| C21 | C20 | C22 | H32 | 118.7° | 120.0° |
| C20 | C21 | H33 | H34 | 120.0° | 119.9° |
| C20 | C21 | H33 | H35 | 120.0° | 120.1° |
| C20 | C21 | H34 | H35 | 120.0° | 120.0° |
| C21 | C20 | C22 | H36 | 57.5° | 65.1° |
| C21 | C20 | C22 | H37 | 177.5° | 174.9° |
| C21 | C20 | C22 | H38 | 62.5° | 54.9° |
| C22 | C20 | C21 | H33 | 58.3° | 55.2° |
| C22 | C20 | C21 | H34 | 61.7° | 64.7° |
| C22 | C20 | C21 | H35 | 178.2° | 175.2° |
| C20 | C22 | H36 | H37 | 120.0° | 120.0° |
| C20 | C22 | H36 | H38 | 120.0° | 120.0° |
| C20 | C22 | H37 | H38 | 120.0° | 120.0° |
| H32 | C20 | C21 | H33 | 60.3° | 175.2° |
| H32 | C20 | C21 | H34 | 179.7° | 55.2° |
| H32 | C20 | C21 | H35 | 59.7° | 64.8° |
| H32 | C20 | C22 | H36 | 61.1° | 174.9° |
| H32 | C20 | C22 | H37 | 58.9° | 54.9° |
| H32 | C20 | C22 | H38 | 178.9° | 65.1° |
| H33 | C21 | H34 | H35 | 120.0° | 120.0° |
| H36 | C22 | H37 | H38 | 120.0° | 120.0° |
| C25 | C24 | C26 | C34 | 178.8° | 179.7° |
| C24 | C25 | O7 | N1 | 172.7° | 180.0° |
| C25 | C24 | C26 | N6 | 10.0° | 0.0° |
| C25 | C24 | C26 | C27 | 168.4° | 180.0° |
| C25 | C24 | C34 | N7 | 11.0° | 0.0° |
| C25 | C24 | C34 | C35 | 170.7° | 179.7° |
| C26 | C24 | C25 | O7 | 31.3° | 159.3° |
| C24 | C26 | N6 | C27 | 178.5° | 180.0° |
| C24 | C26 | N6 | H39 | 180.0° | 16.4° |
| C24 | C26 | N6 | H40 | 60.0° | 163.7° |
| C24 | C26 | C27 | O8 | 173.2° | 180.0° |
| C24 | C26 | C27 | C28 | 6.0° | 0.1° |
| C26 | C24 | C34 | N7 | 167.7° | 179.7° |
| C26 | C24 | C34 | C35 | 10.6° | 0.6° |
| C26 | C24 | C25 | N1 | 141.7° | 20.7° |
| C34 | C24 | C25 | O7 | 147.4° | 20.4° |
| C34 | C24 | C26 | N6 | 168.8° | 179.7° |
| C34 | C24 | C26 | C27 | 12.8° | 0.3° |
| C24 | C34 | C35 | C28 | 1.3° | 0.6° |
| C24 | C34 | C35 | O9 | 176.4° | 179.7° |
| C24 | C34 | N7 | C35 | 178.2° | 179.7° |
| C24 | C34 | N7 | C37 | 176.0° | 180.0° |
| C34 | C24 | C25 | N1 | 39.6° | 159.6° |
| C26 | N6 | H39 | H40 | 120.0° | 179.9° |
| N6 | C26 | C27 | O8 | 5.4° | 0.0° |
| N6 | C26 | C27 | C28 | 175.5° | 180.0° |
| C27 | C26 | N6 | H39 | 1.6° | 163.6° |
| C27 | C26 | N6 | H40 | 118.5° | 16.3° |
| C26 | C27 | O8 | C28 | 179.1° | 179.9° |
| C26 | C27 | C28 | C35 | 3.4° | 0.1° |
| C26 | C27 | C28 | C38 | 178.6° | 180.0° |
| O8 | C27 | C28 | C35 | 177.6° | 180.0° |
| O8 | C27 | C28 | C38 | 0.4° | 0.1° |
| C27 | C28 | C35 | C38 | 177.9° | 179.9° |
| C27 | C28 | C35 | O9 | 176.7° | 180.0° |
| C27 | C28 | C35 | C34 | 5.6° | 0.4° |
| C27 | C28 | C38 | H43 | 180.0° | 0.0° |
| C27 | C28 | C38 | H44 | 60.0° | 120.1° |
| C27 | C28 | C38 | H45 | 60.0° | 119.9° |
| C28 | C35 | O9 | C34 | 177.9° | 179.6° |
| C28 | C35 | O9 | C36 | 174.0° | 180.0° |
| C28 | C35 | C34 | N7 | 176.9° | 179.7° |
| C35 | C28 | C38 | H43 | 2.2° | 179.9° |
| C35 | C28 | C38 | H44 | 122.2° | 60.0° |
| C35 | C28 | C38 | H45 | 117.9° | 60.0° |
| C38 | C28 | C35 | O9 | 1.2° | 0.1° |
| C38 | C28 | C35 | C34 | 176.5° | 179.7° |
| C28 | C38 | H43 | H44 | 120.0° | 120.0° |
| C28 | C38 | H43 | H45 | 120.0° | 120.0° |
| C28 | C38 | H44 | H45 | 120.0° | 120.0° |
| C35 | O9 | C36 | C29 | 176.5° | 180.0° |
| O9 | C35 | C34 | N7 | 5.4° | 0.0° |
| C35 | O9 | C36 | C37 | 3.5° | 0.9° |
| O9 | C36 | C29 | C30 | 178.2° | 179.9° |
| O9 | C36 | C29 | C37 | 180.0° | 179.1° |
| O9 | C36 | C29 | C39 | 4.0° | 0.1° |
| O9 | C36 | C37 | C32 | 179.1° | 179.6° |
| O9 | C36 | C37 | N7 | 4.6° | 1.2° |
| C36 | O9 | C35 | C34 | 8.1° | 0.4° |
| C30 | C29 | C36 | C39 | 177.7° | 180.0° |
| C29 | C30 | C31 | H41 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.3° | 1.1° |
| C29 | C30 | C31 | H42 | 179.7° | 180.0° |
| C30 | C29 | C36 | C37 | 1.8° | 0.9° |
| C30 | C29 | C39 | H46 | 88.7° | 90.0° |
| C30 | C29 | C39 | H47 | 151.3° | 150.0° |
| C30 | C29 | C39 | H48 | 31.3° | 30.0° |
| C36 | C29 | C30 | C31 | 1.5° | 0.0° |
| C36 | C29 | C30 | H41 | 178.5° | 179.9° |
| C29 | C36 | C37 | C32 | 0.9° | 0.6° |
| C29 | C36 | C37 | N7 | 175.4° | 179.7° |
| C36 | C29 | C39 | H46 | 88.9° | 89.9° |
| C36 | C29 | C39 | H47 | 31.1° | 30.0° |
| C36 | C29 | C39 | H48 | 151.1° | 150.0° |
| C39 | C29 | C30 | C31 | 176.2° | 180.0° |
| C39 | C29 | C30 | H41 | 3.8° | 0.0° |
| C39 | C29 | C36 | C37 | 176.0° | 179.2° |
| C29 | C39 | H46 | H47 | 120.0° | 119.9° |
| C29 | C39 | H46 | H48 | 120.0° | 120.1° |
| C29 | C39 | H47 | H48 | 120.0° | 120.0° |
| C30 | C31 | C32 | H42 | 180.0° | 178.9° |
| C30 | C31 | C32 | C33 | 173.6° | 180.0° |
| C30 | C31 | C32 | C37 | 0.6° | 1.4° |
| H41 | C30 | C31 | C32 | 179.7° | 178.9° |
| H41 | C30 | C31 | H42 | 0.3° | 0.1° |
| C31 | C32 | C33 | C37 | 173.8° | 178.6° |
| C31 | C32 | C33 | O10 | 44.7° | 179.2° |
| C31 | C32 | C37 | N7 | 176.8° | 178.6° |
| C31 | C32 | C37 | C36 | 0.4° | 0.5° |
| C31 | C32 | C33 | N8 | 131.7° | 0.7° |
| H42 | C31 | C32 | C33 | 6.4° | 1.1° |
| H42 | C31 | C32 | C37 | 179.4° | 179.7° |
| C32 | C33 | O10 | N8 | 176.3° | 180.0° |
| C33 | C32 | C37 | N7 | 3.1° | 0.0° |
| C33 | C32 | C37 | C36 | 173.3° | 179.2° |
| C32 | C33 | N8 | C40 | 177.7° | 175.6° |
| C32 | C33 | N8 | H49 | 2.4° | 4.4° |
| C37 | C32 | C33 | O10 | 129.1° | 2.1° |
| C32 | C37 | N7 | C34 | 176.5° | 180.0° |
| C32 | C37 | N7 | C36 | 176.2° | 179.1° |
| C37 | C32 | C33 | N8 | 54.5° | 177.9° |
| O10 | C33 | N8 | C40 | 1.4° | 4.4° |
| O10 | C33 | N8 | H49 | 178.6° | 175.6° |
| C34 | N7 | C37 | C36 | 7.3° | 0.9° |
| C37 | N7 | C34 | C35 | 2.2° | 0.3° |
| H43 | C38 | H44 | H45 | 120.0° | 119.9° |
| H46 | C39 | H47 | H48 | 120.0° | 120.0° |
| C40 | N8 | H49 | C33 | 180.0° | 180.0° |
| N8 | C40 | C41 | C42 | 126.2° | 120.0° |
| N8 | C40 | C41 | H50 | 118.5° | 120.1° |
| N8 | C40 | C42 | H50 | 120.1° | 120.0° |
| N8 | C40 | C41 | O11 | 20.3° | 114.3° |
| N8 | C40 | C42 | O12 | 72.6° | 59.7° |
| N8 | C40 | C42 | C43 | 47.2° | 60.3° |
| N8 | C40 | C42 | H51 | 170.3° | 179.7° |
| N8 | C40 | C41 | N9 | 164.2° | 65.6° |
| H49 | N8 | C40 | C41 | 31.6° | 89.9° |
| H49 | N8 | C40 | C42 | 90.9° | 30.1° |
| H49 | N8 | C40 | H50 | 149.5° | 150.1° |
| C41 | C40 | C42 | H50 | 115.2° | 120.0° |
| C40 | C41 | O11 | N9 | 175.1° | 180.0° |
| C41 | C40 | C42 | O12 | 52.1° | 60.2° |
| C41 | C40 | C42 | C43 | 171.9° | 179.7° |
| C41 | C40 | C42 | H51 | 65.0° | 59.7° |
| C40 | C41 | N9 | C44 | 164.1° | 179.6° |
| C40 | C41 | N9 | H55 | 16.0° | 0.4° |
| C41 | C40 | N8 | C33 | 148.4° | 90.2° |
| C42 | C40 | C41 | O11 | 105.9° | 5.6° |
| C40 | C42 | O12 | C43 | 125.8° | 120.0° |
| C40 | C42 | O12 | H51 | 116.6° | 120.0° |
| C40 | C42 | C43 | H51 | 123.0° | 120.0° |
| C40 | C42 | C43 | H52 | 180.0° | 55.2° |
| C40 | C42 | C43 | H53 | 60.0° | 175.2° |
| C40 | C42 | C43 | H54 | 60.0° | 64.8° |
| C42 | C40 | N8 | C33 | 89.2° | 149.9° |
| C42 | C40 | C41 | N9 | 69.7° | 174.4° |
| C40 | C42 | O12 | C62 | 151.7° | 176.0° |
| H50 | C40 | C41 | O11 | 138.8° | 125.6° |
| H50 | C40 | C42 | O12 | 167.3° | 179.8° |
| H50 | C40 | C42 | C43 | 72.9° | 59.8° |
| H50 | C40 | C42 | H51 | 50.2° | 60.2° |
| H50 | C40 | N8 | C33 | 30.5° | 29.9° |
| H50 | C40 | C41 | N9 | 45.7° | 54.4° |
| O11 | C41 | N9 | C44 | 11.4° | 0.4° |
| O11 | C41 | N9 | H55 | 168.6° | 179.6° |
| O12 | C42 | C43 | H51 | 118.0° | 119.9° |
| O12 | C42 | C43 | H52 | 61.0° | 64.9° |
| O12 | C42 | C43 | H53 | 179.0° | 55.2° |
| O12 | C42 | C43 | H54 | 59.0° | 175.2° |
| C42 | O12 | C62 | C58 | 171.2° | 180.0° |
| C42 | O12 | C62 | O16 | 2.8° | 0.2° |
| C42 | C43 | H52 | H53 | 120.0° | 120.0° |
| C42 | C43 | H52 | H54 | 120.0° | 119.9° |
| C42 | C43 | H53 | H54 | 120.0° | 120.0° |
| C43 | C42 | O12 | C62 | 82.4° | 63.9° |
| H51 | C42 | C43 | H52 | 57.0° | 175.2° |
| H51 | C42 | C43 | H53 | 63.0° | 64.8° |
| H51 | C42 | C43 | H54 | 177.0° | 55.2° |
| H51 | C42 | O12 | C62 | 35.2° | 56.0° |
| H52 | C43 | H53 | H54 | 120.0° | 120.0° |
| C44 | N9 | H55 | C41 | 180.0° | 180.0° |
| N9 | C44 | C45 | C48 | 121.0° | 118.8° |
| N9 | C44 | C45 | H56 | 120.0° | 120.6° |
| N9 | C44 | C48 | H56 | 120.1° | 119.7° |
| N9 | C44 | C45 | C46 | 178.6° | 63.7° |
| N9 | C44 | C45 | C47 | 56.1° | 56.3° |
| N9 | C44 | C45 | H57 | 62.6° | 176.3° |
| N9 | C44 | C48 | O13 | 62.7° | 13.5° |
| N9 | C44 | C48 | N10 | 121.1° | 166.4° |
| H55 | N9 | C44 | C45 | 18.1° | 14.7° |
| H55 | N9 | C44 | C48 | 102.9° | 134.5° |
| H55 | N9 | C44 | H56 | 137.5° | 105.8° |
| C45 | C44 | C48 | H56 | 118.9° | 120.6° |
| C44 | C45 | C46 | C47 | 123.0° | 120.0° |
| C44 | C45 | C46 | H57 | 118.6° | 120.0° |
| C44 | C45 | C47 | H57 | 118.6° | 120.0° |
| C44 | C45 | C46 | H58 | 180.0° | 175.4° |
| C44 | C45 | C46 | H59 | 60.0° | 55.3° |
| C44 | C45 | C46 | H60 | 60.0° | 64.7° |
| C44 | C45 | C47 | H61 | 180.0° | 64.6° |
| C44 | C45 | C47 | H62 | 60.0° | 175.5° |
| C44 | C45 | C47 | H63 | 60.0° | 55.5° |
| C45 | C44 | C48 | O13 | 58.3° | 133.2° |
| C45 | C44 | N9 | C41 | 161.9° | 165.3° |
| C45 | C44 | C48 | N10 | 118.0° | 46.7° |
| C48 | C44 | C45 | C46 | 60.3° | 55.0° |
| C48 | C44 | C45 | C47 | 177.1° | 175.1° |
| C48 | C44 | C45 | H57 | 58.4° | 64.9° |
| C44 | C48 | O13 | N10 | 176.2° | 179.9° |
| C44 | C48 | N10 | C49 | 19.5° | 179.5° |
| C44 | C48 | N10 | C53 | 174.6° | 0.6° |
| C48 | C44 | N9 | C41 | 77.1° | 45.5° |
| H56 | C44 | C45 | C46 | 58.6° | 175.7° |
| H56 | C44 | C45 | C47 | 63.9° | 64.3° |
| H56 | C44 | C45 | H57 | 177.4° | 55.7° |
| H56 | C44 | C48 | O13 | 177.2° | 106.2° |
| H56 | C44 | N9 | C41 | 42.5° | 74.2° |
| H56 | C44 | C48 | N10 | 1.0° | 73.9° |
| C46 | C45 | C47 | H57 | 118.3° | 120.0° |
| C45 | C46 | H58 | H59 | 120.0° | 120.0° |
| C45 | C46 | H58 | H60 | 120.0° | 119.9° |
| C45 | C46 | H59 | H60 | 119.9° | 120.0° |
| C46 | C45 | C47 | H61 | 56.9° | 175.4° |
| C46 | C45 | C47 | H62 | 177.0° | 55.5° |
| C46 | C45 | C47 | H63 | 63.0° | 64.5° |
| C47 | C45 | C46 | H58 | 56.9° | 64.6° |
| C47 | C45 | C46 | H59 | 63.1° | 175.3° |
| C47 | C45 | C46 | H60 | 176.9° | 55.3° |
| C45 | C47 | H61 | H62 | 120.0° | 120.0° |
| C45 | C47 | H61 | H63 | 120.0° | 120.0° |
| C45 | C47 | H62 | H63 | 120.0° | 120.0° |
| H57 | C45 | C46 | H58 | 61.4° | 55.4° |
| H57 | C45 | C46 | H59 | 178.6° | 64.7° |
| H57 | C45 | C46 | H60 | 58.6° | 175.3° |
| H57 | C45 | C47 | H61 | 61.4° | 55.4° |
| H57 | C45 | C47 | H62 | 58.7° | 64.5° |
| H57 | C45 | C47 | H63 | 178.7° | 175.5° |
| H58 | C46 | H59 | H60 | 120.0° | 120.0° |
| H61 | C47 | H62 | H63 | 120.0° | 120.0° |
| O13 | C48 | N10 | C49 | 164.2° | 0.4° |
| O13 | C48 | N10 | C53 | 1.6° | 179.5° |
| C49 | N10 | C53 | C48 | 167.4° | 179.9° |
| N10 | C49 | C50 | C51 | 110.3° | 118.3° |
| N10 | C49 | C50 | H64 | 126.5° | 120.7° |
| N10 | C49 | C51 | H64 | 118.0° | 119.6° |
| N10 | C49 | C50 | O14 | 31.5° | 59.6° |
| N10 | C49 | C51 | C52 | 30.1° | 9.3° |
| N10 | C49 | C51 | H65 | 149.2° | 109.9° |
| N10 | C49 | C51 | H66 | 89.0° | 128.5° |
| C49 | N10 | C53 | C52 | 16.1° | 18.8° |
| C49 | N10 | C53 | H69 | 103.0° | 100.8° |
| C49 | N10 | C53 | H70 | 135.2° | 138.4° |
| N10 | C49 | C50 | N11 | 154.4° | 120.3° |
| C53 | N10 | C49 | C50 | 108.0° | 137.2° |
| C53 | N10 | C49 | C51 | 8.8° | 17.6° |
| C53 | N10 | C49 | H64 | 125.7° | 102.1° |
| N10 | C53 | C52 | C51 | 34.9° | 12.4° |
| N10 | C53 | C52 | H69 | 119.1° | 119.6° |
| N10 | C53 | C52 | H70 | 119.1° | 119.6° |
| N10 | C53 | C52 | H67 | 84.0° | 106.7° |
| N10 | C53 | C52 | H68 | 153.8° | 131.6° |
| N10 | C53 | H69 | H70 | 122.6° | 120.8° |
| C50 | C49 | C51 | H64 | 123.7° | 120.9° |
| C49 | C50 | O14 | N11 | 173.9° | 180.0° |
| C50 | C49 | C51 | C52 | 88.2° | 128.8° |
| C50 | C49 | C51 | H65 | 30.9° | 9.6° |
| C50 | C49 | C51 | H66 | 152.7° | 112.0° |
| C49 | C50 | N11 | C54 | 14.8° | 178.7° |
| C49 | C50 | N11 | C56 | 179.5° | 1.3° |
| C50 | C49 | N10 | C48 | 85.3° | 42.7° |
| C51 | C49 | C50 | O14 | 78.8° | 58.7° |
| C49 | C51 | C52 | H65 | 119.1° | 119.2° |
| C49 | C51 | C52 | H66 | 119.1° | 119.2° |
| C49 | C51 | H65 | H66 | 122.6° | 121.6° |
| C49 | C51 | C52 | C53 | 41.0° | 1.9° |
| C49 | C51 | C52 | H67 | 78.0° | 117.3° |
| C49 | C51 | C52 | H68 | 159.9° | 121.0° |
| C51 | C49 | N10 | C48 | 157.9° | 162.3° |
| C51 | C49 | C50 | N11 | 95.3° | 121.3° |
| H64 | C49 | C50 | O14 | 158.1° | 179.7° |
| H64 | C49 | C51 | C52 | 148.1° | 110.3° |
| H64 | C49 | C51 | H65 | 92.8° | 130.5° |
| H64 | C49 | C51 | H66 | 29.0° | 8.9° |
| H64 | C49 | N10 | C48 | 41.0° | 78.0° |
| H64 | C49 | C50 | N11 | 27.9° | 0.3° |
| O14 | C50 | N11 | C54 | 171.3° | 1.2° |
| O14 | C50 | N11 | C56 | 5.5° | 178.7° |
| C52 | C51 | H65 | H66 | 122.6° | 121.6° |
| C51 | C52 | C53 | H67 | 118.9° | 119.1° |
| C51 | C52 | C53 | H68 | 118.9° | 119.2° |
| C51 | C52 | H67 | H68 | 123.1° | 121.7° |
| C51 | C52 | C53 | H69 | 84.2° | 107.2° |
| C51 | C52 | C53 | H70 | 154.0° | 132.0° |
| H65 | C51 | C52 | C53 | 160.1° | 121.1° |
| H65 | C51 | C52 | H67 | 41.2° | 1.9° |
| H65 | C51 | C52 | H68 | 81.0° | 119.8° |
| H66 | C51 | C52 | C53 | 78.2° | 117.3° |
| H66 | C51 | C52 | H67 | 162.9° | 123.6° |
| H66 | C51 | C52 | H68 | 40.8° | 1.9° |
| C53 | C52 | H67 | H68 | 123.1° | 121.8° |
| C52 | C53 | H69 | H70 | 122.6° | 120.9° |
| C52 | C53 | N10 | C48 | 176.5° | 161.1° |
| H67 | C52 | C53 | H69 | 156.9° | 133.7° |
| H67 | C52 | C53 | H70 | 35.1° | 12.9° |
| H68 | C52 | C53 | H69 | 34.7° | 12.0° |
| H68 | C52 | C53 | H70 | 87.0° | 108.8° |
| H69 | C53 | N10 | C48 | 64.3° | 79.4° |
| H70 | C53 | N10 | C48 | 57.4° | 41.5° |
| C54 | N11 | C56 | C50 | 166.9° | 179.9° |
| N11 | C54 | C55 | H71 | 120.4° | 119.7° |
| N11 | C54 | C55 | H72 | 120.4° | 119.7° |
| N11 | C54 | H71 | H72 | 118.9° | 120.5° |
| N11 | C54 | C55 | O15 | 6.9° | 45.2° |
| C54 | N11 | C56 | H73 | 180.0° | 125.1° |
| C54 | N11 | C56 | H74 | 60.0° | 5.1° |
| C54 | N11 | C56 | H75 | 60.0° | 114.9° |
| N11 | C54 | C55 | N12 | 171.6° | 134.7° |
| C56 | N11 | C54 | C55 | 72.4° | 61.0° |
| C56 | N11 | C54 | H71 | 167.2° | 58.7° |
| C56 | N11 | C54 | H72 | 48.0° | 179.2° |
| N11 | C56 | H73 | H74 | 120.0° | 120.0° |
| N11 | C56 | H73 | H75 | 120.0° | 120.0° |
| N11 | C56 | H74 | H75 | 120.0° | 120.0° |
| C55 | C54 | H71 | H72 | 118.8° | 120.6° |
| C54 | C55 | O15 | N12 | 178.4° | 180.0° |
| C54 | C55 | N12 | C57 | 10.8° | 2.4° |
| C54 | C55 | N12 | C58 | 172.3° | 177.5° |
| C55 | C54 | N11 | C50 | 93.6° | 119.0° |
| H71 | C54 | C55 | O15 | 113.5° | 74.5° |
| H71 | C54 | N11 | C50 | 26.8° | 121.3° |
| H71 | C54 | C55 | N12 | 68.0° | 105.6° |
| H72 | C54 | C55 | O15 | 127.3° | 164.9° |
| H72 | C54 | N11 | C50 | 146.0° | 0.7° |
| H72 | C54 | C55 | N12 | 51.2° | 15.0° |
| O15 | C55 | N12 | C57 | 170.7° | 177.6° |
| O15 | C55 | N12 | C58 | 6.2° | 2.4° |
| H73 | C56 | H74 | H75 | 120.0° | 120.0° |
| H73 | C56 | N11 | C50 | 13.1° | 54.9° |
| H74 | C56 | N11 | C50 | 106.9° | 174.8° |
| H75 | C56 | N11 | C50 | 133.1° | 65.1° |
| C57 | N12 | C58 | C55 | 177.1° | 180.0° |
| N12 | C57 | H76 | H77 | 120.0° | 120.0° |
| N12 | C57 | H76 | H78 | 120.0° | 120.0° |
| N12 | C57 | H77 | H78 | 120.0° | 120.0° |
| C57 | N12 | C58 | C59 | 107.0° | 53.6° |
| C57 | N12 | C58 | C62 | 119.4° | 66.3° |
| C57 | N12 | C58 | H79 | 6.0° | 173.8° |
| C58 | N12 | C57 | H76 | 180.0° | 115.1° |
| C58 | N12 | C57 | H77 | 60.0° | 4.8° |
| C58 | N12 | C57 | H78 | 60.0° | 124.8° |
| N12 | C58 | C59 | C62 | 131.1° | 119.4° |
| N12 | C58 | C59 | H79 | 113.3° | 120.3° |
| N12 | C58 | C62 | H79 | 113.6° | 119.8° |
| N12 | C58 | C59 | C60 | 47.7° | 180.0° |
| N12 | C58 | C59 | C61 | 168.6° | 60.0° |
| N12 | C58 | C59 | H80 | 69.6° | 60.1° |
| N12 | C58 | C62 | O16 | 134.3° | 107.1° |
| N12 | C58 | C62 | O12 | 51.9° | 72.7° |
| H76 | C57 | H77 | H78 | 120.0° | 120.1° |
| H76 | C57 | N12 | C55 | 3.1° | 64.8° |
| H77 | C57 | N12 | C55 | 123.1° | 175.2° |
| H78 | C57 | N12 | C55 | 116.9° | 55.2° |
| C59 | C58 | C62 | H79 | 115.6° | 120.3° |
| C58 | C59 | C60 | C61 | 122.6° | 120.0° |
| C58 | C59 | C60 | H80 | 117.5° | 120.0° |
| C58 | C59 | C61 | H80 | 121.0° | 120.0° |
| C58 | C59 | C60 | H81 | 180.0° | 179.9° |
| C58 | C59 | C60 | H82 | 60.0° | 60.0° |
| C58 | C59 | C60 | H83 | 60.0° | 60.0° |
| C58 | C59 | C61 | H84 | 180.0° | 60.0° |
| C58 | C59 | C61 | H85 | 60.0° | 180.0° |
| C58 | C59 | C61 | H86 | 60.0° | 60.0° |
| C59 | C58 | C62 | O16 | 3.5° | 12.7° |
| C59 | C58 | C62 | O12 | 177.3° | 167.4° |
| C59 | C58 | N12 | C55 | 75.9° | 126.5° |
| C62 | C58 | C59 | C60 | 178.7° | 60.6° |
| C62 | C58 | C59 | C61 | 60.3° | 179.4° |
| C62 | C58 | C59 | H80 | 61.4° | 59.4° |
| C58 | C62 | O16 | O12 | 172.9° | 179.9° |
| C62 | C58 | N12 | C55 | 57.7° | 113.7° |
| H79 | C58 | C59 | C60 | 65.6° | 59.7° |
| H79 | C58 | C59 | C61 | 55.4° | 60.3° |
| H79 | C58 | C59 | H80 | 177.1° | 179.7° |
| H79 | C58 | C62 | O16 | 112.1° | 133.0° |
| H79 | C58 | C62 | O12 | 61.7° | 47.1° |
| H79 | C58 | N12 | C55 | 171.1° | 6.2° |
| C60 | C59 | C61 | H80 | 118.9° | 120.0° |
| C59 | C60 | H81 | H82 | 120.0° | 119.9° |
| C59 | C60 | H81 | H83 | 120.0° | 120.0° |
| C59 | C60 | H82 | H83 | 120.0° | 120.0° |
| C60 | C59 | C61 | H84 | 59.8° | 180.0° |
| C60 | C59 | C61 | H85 | 179.9° | 60.0° |
| C60 | C59 | C61 | H86 | 60.2° | 60.0° |
| C61 | C59 | C60 | H81 | 57.4° | 60.1° |
| C61 | C59 | C60 | H82 | 62.6° | 180.0° |
| C61 | C59 | C60 | H83 | 177.4° | 60.0° |
| C59 | C61 | H84 | H85 | 120.0° | 120.0° |
| C59 | C61 | H84 | H86 | 120.0° | 120.0° |
| C59 | C61 | H85 | H86 | 120.0° | 120.0° |
| H80 | C59 | C60 | H81 | 62.5° | 60.0° |
| H80 | C59 | C60 | H82 | 177.5° | 59.9° |
| H80 | C59 | C60 | H83 | 57.6° | 179.9° |
| H80 | C59 | C61 | H84 | 59.0° | 60.0° |
| H80 | C59 | C61 | H85 | 61.0° | 60.0° |
| H80 | C59 | C61 | H86 | 179.0° | 180.0° |
| H81 | C60 | H82 | H83 | 120.0° | 120.1° |
| H84 | C61 | H85 | H86 | 120.0° | 120.0° |
