PRD_000267
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | O2 | sing | 1.35Å | 1.40Å | |
| O2 | C2 | sing | 1.45Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C4 | sing | 1.53Å | 1.52Å | |
| C2 | C5 | sing | 1.53Å | 1.51Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | C6 | sing | 1.46Å | 1.48Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.55Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | O3 | doub | 1.21Å | 1.20Å | |
| C8 | C9 | sing | 1.51Å | 1.54Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | N2 | sing | 1.34Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.35Å | 1.39Å | Aromatic |
| N2 | C11 | doub | 1.31Å | 1.40Å | Aromatic |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C10 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| C10 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | N3 | sing | 1.35Å | 1.40Å | Aromatic |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| N4 | C12 | sing | 1.47Å | 1.46Å | |
| N4 | C16 | sing | 1.47Å | 1.58Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | C14 | sing | 1.54Å | 1.51Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | O4 | doub | 1.21Å | 1.24Å | |
| C14 | C15 | sing | 1.55Å | 1.48Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.55Å | 1.47Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| N5 | C17 | sing | 1.47Å | 1.46Å | |
| N5 | H25 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.54Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | O5 | doub | 1.21Å | 1.23Å | |
| C19 | C20 | sing | 1.51Å | 1.54Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | H29 | sing | 1.08Å | 1.08Å | |
| C22 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | H30 | sing | 1.08Å | 1.08Å | |
| C23 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | H31 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | H32 | sing | 1.08Å | 1.08Å | |
| C25 | H33 | sing | 1.08Å | 1.08Å | |
| N6 | C26 | sing | 1.47Å | 1.50Å | |
| N6 | H34 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.54Å | |
| C26 | C28 | sing | 1.53Å | 1.52Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | O6 | doub | 1.21Å | 1.26Å | |
| C28 | C29 | sing | 1.51Å | 1.50Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | N7 | sing | 1.34Å | 1.41Å | Aromatic |
| C29 | C30 | doub | 1.35Å | 1.40Å | Aromatic |
| N7 | C31 | doub | 1.30Å | 1.39Å | Aromatic |
| N7 | H38 | sing | 0.97Å | 1.00Å | |
| C30 | N8 | sing | 1.37Å | 1.39Å | Aromatic |
| C30 | H39 | sing | 1.08Å | 1.08Å | |
| C31 | N8 | sing | 1.35Å | 1.38Å | Aromatic |
| C31 | H40 | sing | 1.08Å | 1.08Å | |
| N8 | H41 | sing | 0.97Å | 1.00Å | |
| C32 | C34 | sing | 1.53Å | 1.51Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C32 | H44 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | H45 | sing | 1.09Å | 1.10Å | |
| C33 | H46 | sing | 1.09Å | 1.10Å | |
| C33 | H47 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C34 | H48 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | H49 | sing | 1.09Å | 1.10Å | |
| C35 | H50 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C36 | N9 | sing | 1.47Å | 1.50Å | |
| C36 | H51 | sing | 1.09Å | 1.10Å | |
| C37 | O7 | sing | 1.43Å | 1.40Å | |
| C37 | C38 | sing | 1.53Å | 1.55Å | |
| C37 | H52 | sing | 1.09Å | 1.10Å | |
| N9 | H53 | sing | 0.97Å | 1.00Å | |
| O7 | H54 | sing | 0.97Å | 0.95Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | H55 | sing | 1.09Å | 1.10Å | |
| C38 | H56 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C39 | C43 | sing | 1.51Å | 1.51Å | |
| C39 | H57 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.56Å | |
| C40 | C42 | sing | 1.53Å | 1.52Å | |
| C40 | H58 | sing | 1.09Å | 1.10Å | |
| C41 | H59 | sing | 1.09Å | 1.10Å | |
| C41 | H60 | sing | 1.09Å | 1.10Å | |
| C41 | H61 | sing | 1.09Å | 1.10Å | |
| C42 | H62 | sing | 1.09Å | 1.10Å | |
| C42 | H63 | sing | 1.09Å | 1.10Å | |
| C42 | H64 | sing | 1.09Å | 1.10Å | |
| C43 | O8 | doub | 1.21Å | 1.24Å | |
| N10 | C44 | sing | 1.47Å | 1.47Å | |
| N10 | H65 | sing | 0.97Å | 1.00Å | |
| C44 | C45 | sing | 1.51Å | 1.49Å | |
| C44 | C46 | sing | 1.53Å | 1.52Å | |
| C44 | H66 | sing | 1.09Å | 1.10Å | |
| C45 | O9 | doub | 1.21Å | 1.22Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C46 | C48 | sing | 1.53Å | 1.51Å | |
| C46 | H67 | sing | 1.09Å | 1.10Å | |
| C47 | C49 | sing | 1.53Å | 1.53Å | |
| C47 | H68 | sing | 1.09Å | 1.10Å | |
| C47 | H69 | sing | 1.09Å | 1.10Å | |
| C48 | H70 | sing | 1.09Å | 1.10Å | |
| C48 | H71 | sing | 1.09Å | 1.10Å | |
| C48 | H72 | sing | 1.09Å | 1.10Å | |
| C49 | H73 | sing | 1.09Å | 1.10Å | |
| C49 | H74 | sing | 1.09Å | 1.10Å | |
| C49 | H75 | sing | 1.09Å | 1.10Å | |
| N11 | C50 | sing | 1.46Å | 1.41Å | |
| N11 | H76 | sing | 0.97Å | 1.00Å | |
| C50 | C51 | sing | 1.51Å | 1.50Å | |
| C50 | C52 | sing | 1.53Å | 1.50Å | |
| C50 | H77 | sing | 1.09Å | 1.10Å | |
| C51 | O10 | doub | 1.21Å | 1.23Å | |
| C51 | O11 | sing | 1.34Å | 1.30Å | |
| C52 | C53 | sing | 1.51Å | 1.55Å | |
| C52 | H78 | sing | 1.09Å | 1.10Å | |
| C52 | H79 | sing | 1.09Å | 1.10Å | |
| C53 | N12 | sing | 1.34Å | 1.39Å | Aromatic |
| C53 | C54 | doub | 1.35Å | 1.39Å | Aromatic |
| N12 | C55 | doub | 1.30Å | 1.40Å | Aromatic |
| N12 | H80 | sing | 0.97Å | 1.00Å | |
| C54 | N13 | sing | 1.37Å | 1.40Å | Aromatic |
| C54 | H81 | sing | 1.08Å | 1.08Å | |
| C55 | N13 | sing | 1.35Å | 1.40Å | Aromatic |
| C55 | H82 | sing | 1.08Å | 1.08Å | |
| N13 | H83 | sing | 0.97Å | 1.00Å | |
| O11 | H84 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.35Å | 1.36Å | |
| C27 | N9 | sing | 1.35Å | 1.34Å | |
| C43 | N10 | sing | 1.35Å | 1.31Å | |
| C7 | N4 | sing | 1.35Å | 1.43Å | |
| C13 | N5 | sing | 1.35Å | 1.34Å | |
| C18 | N6 | sing | 1.35Å | 1.33Å | |
| C45 | N11 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 129.8° | 120.0° |
| O1 | C1 | N1 | 122.5° | 120.0° |
| C1 | O2 | C2 | 122.0° | 117.0° |
| O2 | C1 | N1 | 107.7° | 120.0° |
| O2 | C2 | C3 | 105.3° | 109.5° |
| O2 | C2 | C4 | 104.9° | 109.5° |
| O2 | C2 | C5 | 115.4° | 109.5° |
| C3 | C2 | C4 | 111.4° | 109.5° |
| C3 | C2 | C5 | 108.7° | 109.5° |
| C2 | C3 | H1 | 109.5° | 109.5° |
| C2 | C3 | H2 | 109.5° | 109.5° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C4 | C2 | C5 | 111.0° | 109.5° |
| C2 | C4 | H4 | 109.5° | 109.4° |
| C2 | C4 | H5 | 109.5° | 109.4° |
| C2 | C4 | H6 | 109.5° | 109.5° |
| C2 | C5 | H7 | 109.5° | 109.5° |
| C2 | C5 | H8 | 109.5° | 109.5° |
| C2 | C5 | H9 | 109.5° | 109.5° |
| H1 | C3 | H2 | 109.5° | 109.4° |
| H1 | C3 | H3 | 109.5° | 109.5° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H4 | C4 | H6 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.4° |
| H7 | C5 | H9 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.4° |
| C6 | N1 | H10 | 119.9° | 120.0° |
| N1 | C6 | C7 | 108.4° | 109.5° |
| N1 | C6 | C8 | 109.1° | 109.5° |
| N1 | C6 | H11 | 111.3° | 109.4° |
| C6 | N1 | C1 | 120.2° | 120.0° |
| H10 | N1 | C1 | 119.9° | 120.0° |
| C7 | C6 | C8 | 107.2° | 109.5° |
| C7 | C6 | H11 | 110.3° | 109.5° |
| C6 | C7 | O3 | 117.3° | 120.0° |
| C6 | C7 | N4 | 108.0° | 120.0° |
| C8 | C6 | H11 | 110.6° | 109.4° |
| C6 | C8 | C9 | 108.9° | 109.5° |
| C6 | C8 | H12 | 109.6° | 109.5° |
| C6 | C8 | H13 | 109.6° | 109.5° |
| O3 | C7 | N4 | 134.7° | 120.0° |
| C9 | C8 | H12 | 109.6° | 109.5° |
| C9 | C8 | H13 | 109.6° | 109.5° |
| C8 | C9 | N2 | 127.9° | 126.0° |
| C8 | C9 | C10 | 123.1° | 126.0° |
| H12 | C8 | H13 | 109.5° | 109.4° |
| N2 | C9 | C10 | 108.9° | 108.0° |
| C9 | N2 | C11 | 108.2° | 109.3° |
| C9 | N2 | H14 | 125.9° | 125.3° |
| C9 | C10 | N3 | 106.5° | 106.8° |
| C9 | C10 | H15 | 126.8° | 126.5° |
| C11 | N2 | H14 | 125.9° | 125.4° |
| N2 | C11 | N3 | 106.4° | 108.7° |
| N2 | C11 | H16 | 126.8° | 125.6° |
| N3 | C10 | H15 | 126.7° | 126.6° |
| C10 | N3 | C11 | 110.0° | 107.2° |
| C10 | N3 | H17 | 125.0° | 126.4° |
| N3 | C11 | H16 | 126.8° | 125.7° |
| C11 | N3 | H17 | 125.0° | 126.4° |
| C12 | N4 | C16 | 108.5° | 108.7° |
| N4 | C12 | C13 | 113.1° | 109.9° |
| N4 | C12 | C14 | 103.3° | 107.2° |
| N4 | C12 | H18 | 111.0° | 109.9° |
| C12 | N4 | C7 | 105.0° | 125.6° |
| N4 | C16 | C15 | 105.3° | 104.7° |
| N4 | C16 | H23 | 110.5° | 110.4° |
| N4 | C16 | H24 | 110.5° | 110.4° |
| C16 | N4 | C7 | 146.4° | 125.6° |
| C13 | C12 | C14 | 108.7° | 109.9° |
| C13 | C12 | H18 | 110.1° | 109.9° |
| C12 | C13 | O4 | 120.1° | 120.0° |
| C12 | C13 | N5 | 113.3° | 120.0° |
| C14 | C12 | H18 | 110.4° | 110.0° |
| C12 | C14 | C15 | 112.5° | 103.0° |
| C12 | C14 | H19 | 108.7° | 110.7° |
| C12 | C14 | H20 | 108.7° | 110.7° |
| O4 | C13 | N5 | 126.6° | 120.0° |
| C15 | C14 | H19 | 108.7° | 110.8° |
| C15 | C14 | H20 | 108.7° | 110.7° |
| C14 | C15 | C16 | 106.5° | 101.5° |
| C14 | C15 | H21 | 110.2° | 111.0° |
| C14 | C15 | H22 | 110.2° | 111.1° |
| H19 | C14 | H20 | 109.5° | 110.8° |
| C16 | C15 | H21 | 110.2° | 111.1° |
| C16 | C15 | H22 | 110.2° | 110.9° |
| C15 | C16 | H23 | 110.5° | 110.5° |
| C15 | C16 | H24 | 110.5° | 110.3° |
| H21 | C15 | H22 | 109.5° | 110.9° |
| H23 | C16 | H24 | 109.4° | 110.5° |
| C17 | N5 | H25 | 119.4° | 120.0° |
| N5 | C17 | C18 | 108.4° | 109.5° |
| N5 | C17 | C19 | 110.6° | 109.5° |
| N5 | C17 | H26 | 111.1° | 109.5° |
| C17 | N5 | C13 | 121.3° | 120.0° |
| H25 | N5 | C13 | 119.4° | 120.0° |
| C18 | C17 | C19 | 106.5° | 109.5° |
| C18 | C17 | H26 | 110.0° | 109.5° |
| C17 | C18 | O5 | 119.0° | 120.0° |
| C17 | C18 | N6 | 115.6° | 120.0° |
| C19 | C17 | H26 | 110.1° | 109.5° |
| C17 | C19 | C20 | 113.0° | 109.5° |
| C17 | C19 | H27 | 108.6° | 109.5° |
| C17 | C19 | H28 | 108.6° | 109.5° |
| O5 | C18 | N6 | 125.3° | 120.1° |
| C20 | C19 | H27 | 108.6° | 109.4° |
| C20 | C19 | H28 | 108.6° | 109.4° |
| C19 | C20 | C21 | 123.4° | 120.0° |
| C19 | C20 | C22 | 116.7° | 120.0° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| C21 | C20 | C22 | 119.9° | 120.0° |
| C20 | C21 | C23 | 120.9° | 120.0° |
| C20 | C21 | H29 | 119.6° | 120.0° |
| C20 | C22 | C24 | 120.5° | 120.0° |
| C20 | C22 | H30 | 119.8° | 120.0° |
| C23 | C21 | H29 | 119.6° | 120.0° |
| C21 | C23 | C25 | 119.7° | 120.0° |
| C21 | C23 | H31 | 120.2° | 120.0° |
| C24 | C22 | H30 | 119.7° | 120.1° |
| C22 | C24 | C25 | 119.2° | 120.0° |
| C22 | C24 | H32 | 120.4° | 120.0° |
| C25 | C23 | H31 | 120.1° | 120.0° |
| C23 | C25 | C24 | 119.9° | 120.0° |
| C23 | C25 | H33 | 120.0° | 120.0° |
| C25 | C24 | H32 | 120.4° | 120.0° |
| C24 | C25 | H33 | 120.1° | 120.0° |
| C26 | N6 | H34 | 122.3° | 120.0° |
| N6 | C26 | C27 | 107.0° | 109.5° |
| N6 | C26 | C28 | 107.7° | 109.5° |
| N6 | C26 | H35 | 110.7° | 109.5° |
| C26 | N6 | C18 | 115.3° | 120.0° |
| H34 | N6 | C18 | 122.4° | 120.1° |
| C27 | C26 | C28 | 110.7° | 109.5° |
| C27 | C26 | H35 | 110.2° | 109.4° |
| C26 | C27 | O6 | 120.3° | 120.0° |
| C26 | C27 | N9 | 118.0° | 120.0° |
| C28 | C26 | H35 | 110.5° | 109.5° |
| C26 | C28 | C29 | 116.8° | 109.5° |
| C26 | C28 | H36 | 107.6° | 109.4° |
| C26 | C28 | H37 | 107.6° | 109.5° |
| O6 | C27 | N9 | 121.6° | 120.0° |
| C29 | C28 | H36 | 107.6° | 109.5° |
| C29 | C28 | H37 | 107.6° | 109.5° |
| C28 | C29 | N7 | 126.1° | 126.0° |
| C28 | C29 | C30 | 123.2° | 126.0° |
| H36 | C28 | H37 | 109.5° | 109.4° |
| N7 | C29 | C30 | 110.7° | 108.0° |
| C29 | N7 | C31 | 106.3° | 109.3° |
| C29 | N7 | H38 | 126.8° | 125.4° |
| C29 | C30 | N8 | 104.2° | 106.8° |
| C29 | C30 | H39 | 127.9° | 126.6° |
| C31 | N7 | H38 | 126.8° | 125.3° |
| N7 | C31 | N8 | 107.4° | 108.6° |
| N7 | C31 | H40 | 126.3° | 125.7° |
| N8 | C30 | H39 | 127.9° | 126.6° |
| C30 | N8 | C31 | 111.4° | 107.2° |
| C30 | N8 | H41 | 124.3° | 126.4° |
| N8 | C31 | H40 | 126.3° | 125.6° |
| C31 | N8 | H41 | 124.3° | 126.4° |
| C34 | C32 | H42 | 109.5° | 109.4° |
| C34 | C32 | H43 | 109.5° | 109.4° |
| C34 | C32 | H44 | 109.5° | 109.5° |
| C32 | C34 | C33 | 113.6° | 109.4° |
| C32 | C34 | C35 | 115.0° | 109.5° |
| C32 | C34 | H48 | 106.3° | 109.4° |
| H42 | C32 | H43 | 109.4° | 109.4° |
| H42 | C32 | H44 | 109.4° | 109.5° |
| H43 | C32 | H44 | 109.5° | 109.5° |
| C34 | C33 | H45 | 109.5° | 109.5° |
| C34 | C33 | H46 | 109.5° | 109.4° |
| C34 | C33 | H47 | 109.5° | 109.5° |
| C33 | C34 | C35 | 108.9° | 109.5° |
| C33 | C34 | H48 | 106.3° | 109.5° |
| H45 | C33 | H46 | 109.5° | 109.4° |
| H45 | C33 | H47 | 109.4° | 109.5° |
| H46 | C33 | H47 | 109.5° | 109.5° |
| C35 | C34 | H48 | 106.1° | 109.5° |
| C34 | C35 | C36 | 115.4° | 109.5° |
| C34 | C35 | H49 | 108.0° | 109.5° |
| C34 | C35 | H50 | 108.0° | 109.5° |
| C36 | C35 | H49 | 108.0° | 109.5° |
| C36 | C35 | H50 | 107.9° | 109.5° |
| C35 | C36 | C37 | 113.1° | 109.5° |
| C35 | C36 | N9 | 108.8° | 109.5° |
| C35 | C36 | H51 | 108.7° | 109.5° |
| H49 | C35 | H50 | 109.5° | 109.4° |
| C37 | C36 | N9 | 108.5° | 109.5° |
| C37 | C36 | H51 | 108.5° | 109.5° |
| C36 | C37 | O7 | 110.7° | 109.5° |
| C36 | C37 | C38 | 109.6° | 109.5° |
| C36 | C37 | H52 | 108.5° | 109.5° |
| N9 | C36 | H51 | 109.1° | 109.4° |
| C36 | N9 | H53 | 120.1° | 119.9° |
| C36 | N9 | C27 | 119.8° | 120.0° |
| O7 | C37 | C38 | 109.1° | 109.5° |
| O7 | C37 | H52 | 110.5° | 109.5° |
| C37 | O7 | H54 | 109.5° | 114.0° |
| C38 | C37 | H52 | 108.4° | 109.5° |
| C37 | C38 | C39 | 111.5° | 109.5° |
| C37 | C38 | H55 | 109.0° | 109.5° |
| C37 | C38 | H56 | 108.9° | 109.5° |
| H53 | N9 | C27 | 120.1° | 120.0° |
| C39 | C38 | H55 | 109.0° | 109.5° |
| C39 | C38 | H56 | 109.0° | 109.5° |
| C38 | C39 | C40 | 111.8° | 109.5° |
| C38 | C39 | C43 | 109.6° | 109.5° |
| C38 | C39 | H57 | 108.7° | 109.5° |
| H55 | C38 | H56 | 109.5° | 109.5° |
| C40 | C39 | C43 | 109.2° | 109.5° |
| C40 | C39 | H57 | 108.6° | 109.5° |
| C39 | C40 | C41 | 111.4° | 109.5° |
| C39 | C40 | C42 | 111.9° | 109.5° |
| C39 | C40 | H58 | 108.6° | 109.4° |
| C43 | C39 | H57 | 108.9° | 109.5° |
| C39 | C43 | O8 | 121.6° | 120.0° |
| C39 | C43 | N10 | 114.1° | 120.0° |
| C41 | C40 | C42 | 107.8° | 109.5° |
| C41 | C40 | H58 | 108.3° | 109.5° |
| C40 | C41 | H59 | 109.5° | 109.4° |
| C40 | C41 | H60 | 109.5° | 109.5° |
| C40 | C41 | H61 | 109.5° | 109.5° |
| C42 | C40 | H58 | 108.8° | 109.5° |
| C40 | C42 | H62 | 109.5° | 109.5° |
| C40 | C42 | H63 | 109.5° | 109.5° |
| C40 | C42 | H64 | 109.5° | 109.5° |
| H59 | C41 | H60 | 109.5° | 109.5° |
| H59 | C41 | H61 | 109.5° | 109.5° |
| H60 | C41 | H61 | 109.4° | 109.5° |
| H62 | C42 | H63 | 109.4° | 109.5° |
| H62 | C42 | H64 | 109.5° | 109.4° |
| H63 | C42 | H64 | 109.5° | 109.4° |
| O8 | C43 | N10 | 124.3° | 120.0° |
| C44 | N10 | H65 | 122.1° | 120.0° |
| N10 | C44 | C45 | 114.5° | 109.5° |
| N10 | C44 | C46 | 109.6° | 109.5° |
| N10 | C44 | H66 | 106.5° | 109.4° |
| C44 | N10 | C43 | 115.8° | 120.0° |
| H65 | N10 | C43 | 122.1° | 120.0° |
| C45 | C44 | C46 | 113.4° | 109.5° |
| C45 | C44 | H66 | 106.3° | 109.5° |
| C44 | C45 | O9 | 117.2° | 120.0° |
| C44 | C45 | N11 | 122.2° | 120.0° |
| C46 | C44 | H66 | 106.0° | 109.5° |
| C44 | C46 | C47 | 110.4° | 109.4° |
| C44 | C46 | C48 | 112.7° | 109.5° |
| C44 | C46 | H67 | 107.2° | 109.5° |
| O9 | C45 | N11 | 120.6° | 120.0° |
| C47 | C46 | C48 | 111.9° | 109.5° |
| C47 | C46 | H67 | 107.0° | 109.5° |
| C46 | C47 | C49 | 112.9° | 109.5° |
| C46 | C47 | H68 | 108.6° | 109.5° |
| C46 | C47 | H69 | 108.6° | 109.5° |
| C48 | C46 | H67 | 107.3° | 109.5° |
| C46 | C48 | H70 | 109.5° | 109.5° |
| C46 | C48 | H71 | 109.5° | 109.5° |
| C46 | C48 | H72 | 109.5° | 109.4° |
| C49 | C47 | H68 | 108.6° | 109.5° |
| C49 | C47 | H69 | 108.6° | 109.4° |
| C47 | C49 | H73 | 109.5° | 109.5° |
| C47 | C49 | H74 | 109.5° | 109.5° |
| C47 | C49 | H75 | 109.5° | 109.5° |
| H68 | C47 | H69 | 109.5° | 109.4° |
| H70 | C48 | H71 | 109.5° | 109.5° |
| H70 | C48 | H72 | 109.5° | 109.5° |
| H71 | C48 | H72 | 109.5° | 109.5° |
| H73 | C49 | H74 | 109.5° | 109.5° |
| H73 | C49 | H75 | 109.5° | 109.4° |
| H74 | C49 | H75 | 109.5° | 109.5° |
| C50 | N11 | H76 | 118.5° | 120.0° |
| N11 | C50 | C51 | 116.5° | 109.5° |
| N11 | C50 | C52 | 120.6° | 109.5° |
| N11 | C50 | H77 | 101.1° | 109.5° |
| C50 | N11 | C45 | 122.9° | 120.0° |
| H76 | N11 | C45 | 118.6° | 120.0° |
| C51 | C50 | C52 | 112.8° | 109.5° |
| C51 | C50 | H77 | 100.4° | 109.5° |
| C50 | C51 | O10 | 116.8° | 120.0° |
| C50 | C51 | O11 | 116.8° | 120.0° |
| C52 | C50 | H77 | 100.5° | 109.5° |
| C50 | C52 | C53 | 101.7° | 109.5° |
| C50 | C52 | H78 | 111.4° | 109.5° |
| C50 | C52 | H79 | 111.4° | 109.5° |
| O10 | C51 | O11 | 126.3° | 120.0° |
| C51 | O11 | H84 | 109.5° | 117.0° |
| C53 | C52 | H78 | 111.4° | 109.5° |
| C53 | C52 | H79 | 111.4° | 109.4° |
| C52 | C53 | N12 | 125.7° | 126.0° |
| C52 | C53 | C54 | 126.8° | 126.0° |
| H78 | C52 | H79 | 109.4° | 109.5° |
| N12 | C53 | C54 | 107.4° | 108.0° |
| C53 | N12 | C55 | 108.2° | 109.3° |
| C53 | N12 | H80 | 125.9° | 125.4° |
| C53 | C54 | N13 | 108.9° | 106.8° |
| C53 | C54 | H81 | 125.5° | 126.6° |
| C55 | N12 | H80 | 125.9° | 125.4° |
| N12 | C55 | N13 | 108.4° | 108.7° |
| N12 | C55 | H82 | 125.8° | 125.7° |
| N13 | C54 | H81 | 125.5° | 126.6° |
| C54 | N13 | C55 | 107.1° | 107.1° |
| C54 | N13 | H83 | 126.5° | 126.4° |
| N13 | C55 | H82 | 125.8° | 125.6° |
| C55 | N13 | H83 | 126.5° | 126.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | N1 | 178.5° | 179.7° |
| O1 | C1 | O2 | C2 | 3.6° | 0.0° |
| O1 | C1 | N1 | C6 | 3.6° | 0.0° |
| O1 | C1 | N1 | H10 | 176.4° | 180.0° |
| C1 | O2 | C2 | C3 | 60.2° | 60.0° |
| C1 | O2 | C2 | C4 | 177.8° | 180.0° |
| C1 | O2 | C2 | C5 | 59.6° | 60.0° |
| O2 | C1 | N1 | C6 | 177.8° | 179.7° |
| O2 | C1 | N1 | H10 | 2.2° | 0.3° |
| O2 | C2 | C3 | C4 | 113.2° | 120.0° |
| O2 | C2 | C3 | C5 | 124.2° | 120.0° |
| O2 | C2 | C4 | C5 | 125.3° | 120.0° |
| O2 | C2 | C3 | H1 | 180.0° | 60.0° |
| O2 | C2 | C3 | H2 | 60.0° | 180.0° |
| O2 | C2 | C3 | H3 | 60.0° | 60.0° |
| O2 | C2 | C4 | H4 | 180.0° | 60.0° |
| O2 | C2 | C4 | H5 | 60.0° | 180.0° |
| O2 | C2 | C4 | H6 | 60.0° | 60.0° |
| O2 | C2 | C5 | H7 | 180.0° | 60.0° |
| O2 | C2 | C5 | H8 | 60.0° | 180.0° |
| O2 | C2 | C5 | H9 | 60.0° | 60.1° |
| C2 | O2 | C1 | N1 | 174.9° | 179.7° |
| C3 | C2 | C4 | C5 | 121.2° | 120.0° |
| C2 | C3 | H1 | H2 | 120.0° | 120.0° |
| C2 | C3 | H1 | H3 | 120.0° | 120.0° |
| C2 | C3 | H2 | H3 | 120.0° | 120.0° |
| C3 | C2 | C4 | H4 | 66.5° | 180.0° |
| C3 | C2 | C4 | H5 | 173.5° | 60.0° |
| C3 | C2 | C4 | H6 | 53.5° | 60.0° |
| C3 | C2 | C5 | H7 | 62.1° | 60.0° |
| C3 | C2 | C5 | H8 | 57.9° | 60.0° |
| C3 | C2 | C5 | H9 | 177.9° | 179.9° |
| C4 | C2 | C3 | H1 | 66.8° | 60.0° |
| C4 | C2 | C3 | H2 | 53.2° | 60.0° |
| C4 | C2 | C3 | H3 | 173.2° | 180.0° |
| C2 | C4 | H4 | H5 | 120.0° | 119.9° |
| C2 | C4 | H4 | H6 | 120.0° | 120.0° |
| C2 | C4 | H5 | H6 | 120.0° | 120.0° |
| C4 | C2 | C5 | H7 | 60.8° | 180.0° |
| C4 | C2 | C5 | H8 | 179.2° | 60.0° |
| C4 | C2 | C5 | H9 | 59.2° | 59.9° |
| C5 | C2 | C3 | H1 | 55.9° | 180.0° |
| C5 | C2 | C3 | H2 | 175.8° | 60.1° |
| C5 | C2 | C3 | H3 | 64.1° | 60.0° |
| C5 | C2 | C4 | H4 | 54.7° | 60.0° |
| C5 | C2 | C4 | H5 | 65.3° | 60.0° |
| C5 | C2 | C4 | H6 | 174.7° | 180.0° |
| C2 | C5 | H7 | H8 | 120.0° | 120.0° |
| C2 | C5 | H7 | H9 | 120.0° | 120.1° |
| C2 | C5 | H8 | H9 | 120.0° | 120.0° |
| H1 | C3 | H2 | H3 | 120.0° | 120.0° |
| H4 | C4 | H5 | H6 | 120.0° | 120.1° |
| H7 | C5 | H8 | H9 | 120.0° | 119.9° |
| C6 | N1 | H10 | C1 | 180.0° | 180.0° |
| N1 | C6 | C7 | C8 | 117.6° | 120.0° |
| N1 | C6 | C7 | H11 | 122.0° | 120.0° |
| N1 | C6 | C8 | H11 | 122.6° | 120.0° |
| N1 | C6 | C7 | O3 | 114.7° | 19.7° |
| N1 | C6 | C8 | C9 | 55.5° | 66.0° |
| N1 | C6 | C8 | H12 | 64.4° | 54.0° |
| N1 | C6 | C8 | H13 | 175.4° | 173.9° |
| N1 | C6 | C7 | N4 | 66.2° | 160.2° |
| H10 | N1 | C6 | C7 | 40.0° | 25.0° |
| H10 | N1 | C6 | C8 | 76.4° | 95.0° |
| H10 | N1 | C6 | H11 | 161.4° | 145.0° |
| C7 | C6 | C8 | H11 | 120.2° | 120.0° |
| C6 | C7 | O3 | N4 | 178.8° | 179.9° |
| C7 | C6 | C8 | C9 | 172.6° | 173.9° |
| C7 | C6 | C8 | H12 | 52.7° | 66.0° |
| C7 | C6 | C8 | H13 | 67.5° | 53.9° |
| C6 | C7 | N4 | C12 | 166.3° | 176.3° |
| C6 | C7 | N4 | C16 | 19.7° | 3.4° |
| C7 | C6 | N1 | C1 | 140.0° | 155.0° |
| C8 | C6 | C7 | O3 | 2.9° | 100.3° |
| C6 | C8 | C9 | H12 | 119.9° | 120.0° |
| C6 | C8 | C9 | H13 | 119.9° | 120.0° |
| C6 | C8 | H12 | H13 | 120.3° | 120.0° |
| C6 | C8 | C9 | N2 | 69.4° | 95.0° |
| C6 | C8 | C9 | C10 | 109.9° | 85.3° |
| C8 | C6 | N1 | C1 | 103.6° | 85.0° |
| C8 | C6 | C7 | N4 | 176.2° | 79.8° |
| H11 | C6 | C7 | O3 | 123.3° | 139.7° |
| H11 | C6 | C8 | C9 | 67.2° | 53.9° |
| H11 | C6 | C8 | H12 | 172.9° | 173.9° |
| H11 | C6 | C8 | H13 | 52.7° | 66.1° |
| H11 | C6 | N1 | C1 | 18.6° | 35.0° |
| H11 | C6 | C7 | N4 | 55.8° | 40.2° |
| O3 | C7 | N4 | C12 | 14.8° | 3.6° |
| O3 | C7 | N4 | C16 | 159.2° | 176.6° |
| C9 | C8 | H12 | H13 | 120.3° | 120.0° |
| C8 | C9 | N2 | C10 | 179.4° | 179.7° |
| C8 | C9 | N2 | C11 | 180.0° | 179.9° |
| C8 | C9 | N2 | H14 | 0.0° | 0.1° |
| C8 | C9 | C10 | N3 | 179.8° | 179.9° |
| C8 | C9 | C10 | H15 | 0.2° | 0.0° |
| H12 | C8 | C9 | N2 | 170.6° | 25.0° |
| H12 | C8 | C9 | C10 | 10.0° | 154.7° |
| H13 | C8 | C9 | N2 | 50.5° | 145.0° |
| H13 | C8 | C9 | C10 | 130.2° | 34.6° |
| C9 | N2 | C11 | H14 | 180.0° | 180.0° |
| N2 | C9 | C10 | N3 | 0.3° | 0.2° |
| N2 | C9 | C10 | H15 | 179.7° | 179.7° |
| C9 | N2 | C11 | N3 | 0.6° | 0.1° |
| C9 | N2 | C11 | H16 | 179.4° | 180.0° |
| C10 | C9 | N2 | C11 | 0.6° | 0.2° |
| C10 | C9 | N2 | H14 | 179.4° | 179.7° |
| C9 | C10 | N3 | H15 | 180.0° | 180.0° |
| C9 | C10 | N3 | C11 | 0.0° | 0.2° |
| C9 | C10 | N3 | H17 | 180.0° | 180.0° |
| N2 | C11 | N3 | C10 | 0.4° | 0.0° |
| N2 | C11 | N3 | H16 | 180.0° | 179.9° |
| N2 | C11 | N3 | H17 | 179.6° | 179.8° |
| H14 | N2 | C11 | N3 | 179.4° | 179.9° |
| H14 | N2 | C11 | H16 | 0.6° | 0.0° |
| C10 | N3 | C11 | H17 | 180.0° | 179.8° |
| C10 | N3 | C11 | H16 | 179.6° | 179.9° |
| H15 | C10 | N3 | C11 | 180.0° | 179.8° |
| H15 | C10 | N3 | H17 | 0.0° | 0.0° |
| H16 | C11 | N3 | H17 | 0.4° | 0.1° |
| C12 | N4 | C16 | C7 | 173.9° | 179.8° |
| N4 | C12 | C13 | C14 | 114.1° | 117.7° |
| N4 | C12 | C13 | H18 | 124.9° | 121.0° |
| N4 | C12 | C14 | H18 | 118.8° | 119.5° |
| N4 | C12 | C13 | O4 | 21.9° | 4.2° |
| N4 | C12 | C14 | C15 | 13.5° | 22.2° |
| N4 | C12 | C14 | H19 | 133.9° | 140.6° |
| N4 | C12 | C14 | H20 | 106.9° | 96.2° |
| C12 | N4 | C16 | C15 | 19.3° | 24.4° |
| C12 | N4 | C16 | H23 | 138.6° | 94.5° |
| C12 | N4 | C16 | H24 | 100.1° | 143.2° |
| N4 | C12 | C13 | N5 | 160.2° | 175.7° |
| C16 | N4 | C12 | C13 | 98.0° | 120.7° |
| C16 | N4 | C12 | C14 | 19.4° | 1.3° |
| C16 | N4 | C12 | H18 | 137.7° | 118.3° |
| N4 | C16 | C15 | C14 | 10.3° | 37.2° |
| N4 | C16 | C15 | H23 | 119.4° | 118.8° |
| N4 | C16 | C15 | H24 | 119.4° | 118.8° |
| N4 | C16 | C15 | H21 | 129.8° | 80.8° |
| N4 | C16 | C15 | H22 | 109.3° | 155.3° |
| N4 | C16 | H23 | H24 | 121.9° | 122.3° |
| C13 | C12 | C14 | H18 | 120.9° | 121.1° |
| C12 | C13 | O4 | N5 | 177.7° | 179.9° |
| C13 | C12 | C14 | C15 | 106.9° | 97.2° |
| C13 | C12 | C14 | H19 | 13.6° | 21.2° |
| C13 | C12 | C14 | H20 | 132.7° | 144.5° |
| C12 | C13 | N5 | C17 | 174.6° | 175.3° |
| C12 | C13 | N5 | H25 | 5.4° | 4.8° |
| C13 | C12 | N4 | C7 | 78.5° | 59.5° |
| C14 | C12 | C13 | O4 | 92.2° | 113.5° |
| C12 | C14 | C15 | H19 | 120.4° | 118.4° |
| C12 | C14 | C15 | H20 | 120.4° | 118.3° |
| C12 | C14 | H19 | H20 | 118.7° | 123.2° |
| C12 | C14 | C15 | C16 | 1.5° | 35.6° |
| C12 | C14 | C15 | H21 | 118.0° | 82.5° |
| C12 | C14 | C15 | H22 | 121.1° | 153.6° |
| C14 | C12 | N4 | C7 | 164.1° | 178.9° |
| C14 | C12 | C13 | N5 | 85.8° | 66.6° |
| H18 | C12 | C13 | O4 | 146.7° | 125.3° |
| H18 | C12 | C14 | C15 | 132.2° | 141.7° |
| H18 | C12 | C14 | H19 | 107.4° | 99.9° |
| H18 | C12 | C14 | H20 | 11.8° | 23.3° |
| H18 | C12 | N4 | C7 | 45.8° | 61.5° |
| H18 | C12 | C13 | N5 | 35.3° | 54.6° |
| O4 | C13 | N5 | C17 | 7.6° | 4.6° |
| O4 | C13 | N5 | H25 | 172.5° | 175.3° |
| C15 | C14 | H19 | H20 | 118.6° | 123.2° |
| C14 | C15 | C16 | H21 | 119.5° | 118.1° |
| C14 | C15 | C16 | H22 | 119.6° | 118.1° |
| C14 | C15 | H21 | H22 | 121.4° | 123.9° |
| C14 | C15 | C16 | H23 | 129.6° | 81.6° |
| C14 | C15 | C16 | H24 | 109.1° | 156.0° |
| H19 | C14 | C15 | C16 | 122.0° | 154.0° |
| H19 | C14 | C15 | H21 | 2.4° | 35.8° |
| H19 | C14 | C15 | H22 | 118.5° | 88.0° |
| H20 | C14 | C15 | C16 | 118.9° | 82.7° |
| H20 | C14 | C15 | H21 | 121.6° | 159.1° |
| H20 | C14 | C15 | H22 | 0.6° | 35.3° |
| C16 | C15 | H21 | H22 | 121.3° | 123.9° |
| C15 | C16 | H23 | H24 | 121.9° | 122.3° |
| C15 | C16 | N4 | C7 | 166.8° | 155.8° |
| H21 | C15 | C16 | H23 | 110.8° | 160.4° |
| H21 | C15 | C16 | H24 | 10.5° | 38.0° |
| H22 | C15 | C16 | H23 | 10.1° | 36.5° |
| H22 | C15 | C16 | H24 | 131.4° | 85.9° |
| H23 | C16 | N4 | C7 | 47.5° | 85.3° |
| H24 | C16 | N4 | C7 | 73.8° | 37.1° |
| C17 | N5 | H25 | C13 | 180.0° | 180.0° |
| N5 | C17 | C18 | C19 | 119.0° | 120.0° |
| N5 | C17 | C18 | H26 | 121.7° | 120.0° |
| N5 | C17 | C19 | H26 | 123.2° | 120.0° |
| N5 | C17 | C18 | O5 | 30.0° | 0.0° |
| N5 | C17 | C19 | C20 | 84.1° | 64.2° |
| N5 | C17 | C19 | H27 | 36.5° | 55.8° |
| N5 | C17 | C19 | H28 | 155.4° | 175.8° |
| N5 | C17 | C18 | N6 | 149.2° | 180.0° |
| H25 | N5 | C17 | C18 | 72.3° | 41.2° |
| H25 | N5 | C17 | C19 | 44.2° | 78.8° |
| H25 | N5 | C17 | H26 | 166.7° | 161.2° |
| C18 | C17 | C19 | H26 | 119.2° | 120.0° |
| C17 | C18 | O5 | N6 | 179.1° | 180.0° |
| C18 | C17 | C19 | C20 | 158.3° | 175.8° |
| C18 | C17 | C19 | H27 | 81.1° | 64.2° |
| C18 | C17 | C19 | H28 | 37.8° | 55.8° |
| C17 | C18 | N6 | C26 | 174.5° | 180.0° |
| C17 | C18 | N6 | H34 | 5.5° | 0.0° |
| C18 | C17 | N5 | C13 | 107.8° | 138.7° |
| C19 | C17 | C18 | O5 | 89.0° | 120.0° |
| C17 | C19 | C20 | H27 | 120.5° | 120.0° |
| C17 | C19 | C20 | H28 | 120.5° | 120.0° |
| C17 | C19 | H27 | H28 | 118.4° | 120.1° |
| C17 | C19 | C20 | C21 | 108.3° | 95.5° |
| C17 | C19 | C20 | C22 | 72.1° | 84.7° |
| C19 | C17 | N5 | C13 | 135.8° | 101.2° |
| C19 | C17 | C18 | N6 | 91.8° | 60.0° |
| H26 | C17 | C18 | O5 | 151.7° | 120.0° |
| H26 | C17 | C19 | C20 | 39.1° | 55.8° |
| H26 | C17 | C19 | H27 | 159.6° | 175.8° |
| H26 | C17 | C19 | H28 | 81.4° | 64.2° |
| H26 | C17 | N5 | C13 | 13.2° | 18.8° |
| H26 | C17 | C18 | N6 | 27.4° | 60.0° |
| O5 | C18 | N6 | C26 | 6.4° | 0.0° |
| O5 | C18 | N6 | H34 | 173.6° | 180.0° |
| C20 | C19 | H27 | H28 | 118.4° | 119.9° |
| C19 | C20 | C21 | C22 | 179.5° | 179.8° |
| C19 | C20 | C21 | C23 | 180.0° | 180.0° |
| C19 | C20 | C21 | H29 | 0.0° | 0.0° |
| C19 | C20 | C22 | C24 | 179.6° | 179.9° |
| C19 | C20 | C22 | H30 | 0.3° | 0.0° |
| H27 | C19 | C20 | C21 | 131.1° | 24.5° |
| H27 | C19 | C20 | C22 | 48.4° | 155.3° |
| H28 | C19 | C20 | C21 | 12.2° | 144.5° |
| H28 | C19 | C20 | C22 | 167.3° | 35.3° |
| C20 | C21 | C23 | H29 | 180.0° | 180.0° |
| C21 | C20 | C22 | C24 | 0.8° | 0.3° |
| C21 | C20 | C22 | H30 | 179.2° | 179.8° |
| C20 | C21 | C23 | C25 | 0.1° | 0.0° |
| C20 | C21 | C23 | H31 | 179.9° | 180.0° |
| C22 | C20 | C21 | C23 | 0.5° | 0.3° |
| C22 | C20 | C21 | H29 | 179.5° | 179.8° |
| C20 | C22 | C24 | H30 | 180.0° | 180.0° |
| C20 | C22 | C24 | C25 | 0.7° | 0.1° |
| C20 | C22 | C24 | H32 | 179.3° | 179.9° |
| C21 | C23 | C25 | H31 | 180.0° | 179.9° |
| C21 | C23 | C25 | C24 | 0.0° | 0.1° |
| C21 | C23 | C25 | H33 | 180.0° | 180.0° |
| H29 | C21 | C23 | C25 | 179.9° | 180.0° |
| H29 | C21 | C23 | H31 | 0.1° | 0.1° |
| C22 | C24 | C25 | C23 | 0.3° | 0.1° |
| C22 | C24 | C25 | H32 | 180.0° | 179.8° |
| C22 | C24 | C25 | H33 | 179.7° | 180.0° |
| H30 | C22 | C24 | C25 | 179.3° | 180.0° |
| H30 | C22 | C24 | H32 | 0.7° | 0.1° |
| C23 | C25 | C24 | H33 | 180.0° | 179.9° |
| C23 | C25 | C24 | H32 | 179.7° | 179.7° |
| H31 | C23 | C25 | C24 | 180.0° | 179.8° |
| H31 | C23 | C25 | H33 | 0.0° | 0.1° |
| H32 | C24 | C25 | H33 | 0.3° | 0.2° |
| C26 | N6 | H34 | C18 | 180.0° | 180.0° |
| N6 | C26 | C27 | C28 | 117.0° | 120.0° |
| N6 | C26 | C27 | H35 | 120.5° | 120.0° |
| N6 | C26 | C28 | H35 | 121.0° | 120.0° |
| N6 | C26 | C27 | O6 | 88.2° | 0.0° |
| N6 | C26 | C28 | C29 | 177.6° | 65.0° |
| N6 | C26 | C28 | H36 | 56.6° | 55.0° |
| N6 | C26 | C28 | H37 | 61.3° | 175.0° |
| N6 | C26 | C27 | N9 | 87.7° | 180.0° |
| H34 | N6 | C26 | C27 | 40.9° | 25.0° |
| H34 | N6 | C26 | C28 | 78.1° | 95.0° |
| H34 | N6 | C26 | H35 | 161.0° | 145.0° |
| C27 | C26 | C28 | H35 | 122.4° | 119.9° |
| C26 | C27 | O6 | N9 | 175.8° | 180.0° |
| C27 | C26 | C28 | C29 | 65.7° | 175.0° |
| C27 | C26 | C28 | H36 | 173.2° | 65.0° |
| C27 | C26 | C28 | H37 | 55.3° | 54.9° |
| C26 | C27 | N9 | C36 | 169.6° | 175.0° |
| C26 | C27 | N9 | H53 | 10.3° | 5.0° |
| C27 | C26 | N6 | C18 | 139.1° | 155.0° |
| C28 | C26 | C27 | O6 | 28.8° | 120.1° |
| C26 | C28 | C29 | H36 | 121.1° | 120.0° |
| C26 | C28 | C29 | H37 | 121.0° | 120.1° |
| C26 | C28 | H36 | H37 | 116.7° | 120.0° |
| C26 | C28 | C29 | N7 | 21.0° | 94.9° |
| C26 | C28 | C29 | C30 | 159.1° | 85.3° |
| C28 | C26 | C27 | N9 | 155.3° | 60.0° |
| C28 | C26 | N6 | C18 | 101.9° | 85.0° |
| H35 | C26 | C27 | O6 | 151.3° | 120.0° |
| H35 | C26 | C28 | C29 | 56.6° | 55.1° |
| H35 | C26 | C28 | H36 | 64.4° | 175.0° |
| H35 | C26 | C28 | H37 | 177.7° | 65.0° |
| H35 | C26 | C27 | N9 | 32.8° | 60.0° |
| H35 | C26 | N6 | C18 | 19.0° | 35.0° |
| O6 | C27 | N9 | C36 | 6.2° | 5.0° |
| O6 | C27 | N9 | H53 | 173.8° | 175.0° |
| C29 | C28 | H36 | H37 | 116.7° | 120.0° |
| C28 | C29 | N7 | C30 | 179.9° | 179.8° |
| C28 | C29 | N7 | C31 | 179.6° | 180.0° |
| C28 | C29 | N7 | H38 | 0.4° | 0.0° |
| C28 | C29 | C30 | N8 | 179.3° | 180.0° |
| C28 | C29 | C30 | H39 | 0.8° | 0.1° |
| H36 | C28 | C29 | N7 | 100.1° | 25.1° |
| H36 | C28 | C29 | C30 | 79.9° | 154.7° |
| H37 | C28 | C29 | N7 | 142.0° | 145.0° |
| H37 | C28 | C29 | C30 | 38.0° | 34.8° |
| C29 | N7 | C31 | H38 | 180.0° | 179.9° |
| N7 | C29 | C30 | N8 | 0.8° | 0.2° |
| N7 | C29 | C30 | H39 | 179.2° | 179.8° |
| C29 | N7 | C31 | N8 | 0.1° | 0.1° |
| C29 | N7 | C31 | H40 | 179.9° | 180.0° |
| C30 | C29 | N7 | C31 | 0.4° | 0.2° |
| C30 | C29 | N7 | H38 | 179.6° | 179.8° |
| C29 | C30 | N8 | H39 | 180.0° | 179.9° |
| C29 | C30 | N8 | C31 | 0.8° | 0.1° |
| C29 | C30 | N8 | H41 | 179.1° | 180.0° |
| N7 | C31 | N8 | C30 | 0.6° | 0.0° |
| N7 | C31 | N8 | H40 | 180.0° | 179.9° |
| N7 | C31 | N8 | H41 | 179.4° | 179.9° |
| H38 | N7 | C31 | N8 | 179.9° | 179.8° |
| H38 | N7 | C31 | H40 | 0.1° | 0.0° |
| C30 | N8 | C31 | H41 | 180.0° | 179.9° |
| C30 | N8 | C31 | H40 | 179.4° | 179.9° |
| H39 | C30 | N8 | C31 | 179.1° | 179.8° |
| H39 | C30 | N8 | H41 | 0.9° | 0.1° |
| H40 | C31 | N8 | H41 | 0.6° | 0.0° |
| C34 | C32 | H42 | H43 | 120.0° | 119.9° |
| C34 | C32 | H42 | H44 | 120.0° | 120.0° |
| C34 | C32 | H43 | H44 | 120.0° | 120.0° |
| C32 | C34 | C33 | C35 | 129.6° | 120.0° |
| C32 | C34 | C33 | H48 | 116.5° | 119.9° |
| C32 | C34 | C33 | H45 | 180.0° | 60.1° |
| C32 | C34 | C33 | H46 | 60.0° | 180.0° |
| C32 | C34 | C33 | H47 | 60.0° | 60.0° |
| C32 | C34 | C35 | H48 | 117.2° | 120.0° |
| C32 | C34 | C35 | C36 | 57.9° | 64.9° |
| C32 | C34 | C35 | H49 | 63.0° | 175.1° |
| C32 | C34 | C35 | H50 | 178.7° | 55.1° |
| H42 | C32 | H43 | H44 | 119.9° | 120.1° |
| H42 | C32 | C34 | C33 | 180.0° | 175.6° |
| H42 | C32 | C34 | C35 | 53.6° | 55.6° |
| H42 | C32 | C34 | H48 | 63.5° | 64.4° |
| H43 | C32 | C34 | C33 | 60.0° | 55.7° |
| H43 | C32 | C34 | C35 | 173.6° | 64.3° |
| H43 | C32 | C34 | H48 | 56.5° | 175.7° |
| H44 | C32 | C34 | C33 | 60.0° | 64.4° |
| H44 | C32 | C34 | C35 | 66.4° | 175.6° |
| H44 | C32 | C34 | H48 | 176.5° | 55.6° |
| C34 | C33 | H45 | H46 | 120.0° | 120.0° |
| C34 | C33 | H45 | H47 | 120.0° | 120.1° |
| C34 | C33 | H46 | H47 | 120.0° | 120.0° |
| C33 | C34 | C35 | H48 | 114.0° | 120.0° |
| C33 | C34 | C35 | C36 | 173.3° | 175.1° |
| C33 | C34 | C35 | H49 | 65.8° | 55.1° |
| C33 | C34 | C35 | H50 | 52.5° | 64.9° |
| H45 | C33 | H46 | H47 | 120.0° | 120.0° |
| H45 | C33 | C34 | C35 | 50.4° | 60.0° |
| H45 | C33 | C34 | H48 | 63.5° | 180.0° |
| H46 | C33 | C34 | C35 | 69.6° | 60.0° |
| H46 | C33 | C34 | H48 | 176.5° | 60.0° |
| H47 | C33 | C34 | C35 | 170.4° | 180.0° |
| H47 | C33 | C34 | H48 | 56.5° | 59.9° |
| C34 | C35 | C36 | H49 | 120.9° | 120.0° |
| C34 | C35 | C36 | H50 | 120.9° | 120.0° |
| C34 | C35 | H49 | H50 | 117.3° | 120.0° |
| C34 | C35 | C36 | C37 | 169.5° | 64.0° |
| C34 | C35 | C36 | N9 | 69.8° | 175.9° |
| C34 | C35 | C36 | H51 | 48.9° | 55.9° |
| H48 | C34 | C35 | C36 | 59.3° | 55.1° |
| H48 | C34 | C35 | H49 | 179.8° | 64.9° |
| H48 | C34 | C35 | H50 | 61.5° | 175.1° |
| C36 | C35 | H49 | H50 | 117.3° | 120.0° |
| C35 | C36 | C37 | N9 | 120.9° | 120.0° |
| C35 | C36 | C37 | H51 | 120.7° | 120.0° |
| C35 | C36 | N9 | H51 | 118.5° | 120.0° |
| C35 | C36 | C37 | O7 | 54.1° | 60.0° |
| C35 | C36 | C37 | C38 | 174.6° | 180.0° |
| C35 | C36 | C37 | H52 | 67.2° | 60.0° |
| C35 | C36 | N9 | H53 | 60.4° | 91.5° |
| C35 | C36 | N9 | C27 | 119.6° | 88.5° |
| H49 | C35 | C36 | C37 | 48.6° | 56.0° |
| H49 | C35 | C36 | N9 | 169.3° | 64.1° |
| H49 | C35 | C36 | H51 | 71.9° | 176.0° |
| H50 | C35 | C36 | C37 | 69.6° | 175.9° |
| H50 | C35 | C36 | N9 | 51.1° | 55.9° |
| H50 | C35 | C36 | H51 | 169.8° | 64.1° |
| C37 | C36 | N9 | H51 | 118.0° | 120.0° |
| C36 | C37 | O7 | C38 | 120.7° | 120.0° |
| C36 | C37 | O7 | H52 | 120.2° | 120.0° |
| C36 | C37 | C38 | H52 | 118.3° | 120.0° |
| C37 | C36 | N9 | H53 | 63.1° | 28.5° |
| C36 | C37 | O7 | H54 | 180.0° | 55.1° |
| C36 | C37 | C38 | C39 | 149.9° | 173.3° |
| C36 | C37 | C38 | H55 | 89.8° | 66.7° |
| C36 | C37 | C38 | H56 | 29.6° | 53.3° |
| C37 | C36 | N9 | C27 | 116.9° | 151.5° |
| N9 | C36 | C37 | O7 | 66.7° | 60.0° |
| N9 | C36 | C37 | C38 | 53.7° | 60.0° |
| N9 | C36 | C37 | H52 | 171.9° | 179.9° |
| C36 | N9 | H53 | C27 | 180.0° | 180.0° |
| H51 | C36 | C37 | O7 | 174.8° | 180.0° |
| H51 | C36 | C37 | C38 | 64.8° | 60.0° |
| H51 | C36 | C37 | H52 | 53.4° | 60.0° |
| H51 | C36 | N9 | H53 | 178.9° | 148.5° |
| H51 | C36 | N9 | C27 | 1.1° | 31.5° |
| O7 | C37 | C38 | H52 | 120.4° | 120.0° |
| O7 | C37 | C38 | C39 | 88.8° | 66.8° |
| O7 | C37 | C38 | H55 | 31.5° | 53.2° |
| O7 | C37 | C38 | H56 | 150.9° | 173.3° |
| C38 | C37 | O7 | H54 | 59.3° | 64.9° |
| C37 | C38 | C39 | H55 | 120.3° | 120.0° |
| C37 | C38 | C39 | H56 | 120.3° | 120.0° |
| C37 | C38 | H55 | H56 | 119.0° | 120.0° |
| C37 | C38 | C39 | C40 | 158.8° | 65.6° |
| C37 | C38 | C39 | C43 | 80.0° | 174.3° |
| C37 | C38 | C39 | H57 | 38.9° | 54.3° |
| H52 | C37 | O7 | H54 | 59.8° | 175.1° |
| H52 | C37 | C38 | C39 | 31.6° | 53.3° |
| H52 | C37 | C38 | H55 | 151.9° | 173.3° |
| H52 | C37 | C38 | H56 | 88.7° | 66.7° |
| C39 | C38 | H55 | H56 | 119.1° | 120.0° |
| C38 | C39 | C40 | C43 | 121.5° | 120.0° |
| C38 | C39 | C40 | H57 | 119.9° | 120.0° |
| C38 | C39 | C43 | H57 | 118.8° | 120.0° |
| C38 | C39 | C40 | C41 | 47.4° | 55.9° |
| C38 | C39 | C40 | C42 | 73.4° | 175.9° |
| C38 | C39 | C40 | H58 | 166.5° | 64.1° |
| C38 | C39 | C43 | O8 | 33.3° | 10.4° |
| C38 | C39 | C43 | N10 | 148.0° | 169.6° |
| H55 | C38 | C39 | C40 | 38.4° | 54.4° |
| H55 | C38 | C39 | C43 | 159.7° | 65.6° |
| H55 | C38 | C39 | H57 | 81.4° | 174.4° |
| H56 | C38 | C39 | C40 | 80.9° | 174.4° |
| H56 | C38 | C39 | C43 | 40.3° | 54.4° |
| H56 | C38 | C39 | H57 | 159.2° | 65.6° |
| C40 | C39 | C43 | H57 | 118.4° | 120.0° |
| C39 | C40 | C41 | C42 | 123.1° | 120.0° |
| C39 | C40 | C41 | H58 | 119.4° | 120.0° |
| C39 | C40 | C42 | H58 | 120.0° | 120.0° |
| C39 | C40 | C41 | H59 | 180.0° | 54.9° |
| C39 | C40 | C41 | H60 | 60.0° | 174.8° |
| C39 | C40 | C41 | H61 | 60.0° | 65.1° |
| C39 | C40 | C42 | H62 | 180.0° | 58.8° |
| C39 | C40 | C42 | H63 | 60.0° | 178.9° |
| C39 | C40 | C42 | H64 | 60.0° | 61.2° |
| C40 | C39 | C43 | O8 | 89.5° | 109.6° |
| C40 | C39 | C43 | N10 | 89.2° | 70.4° |
| C43 | C39 | C40 | C41 | 74.1° | 64.1° |
| C43 | C39 | C40 | C42 | 165.1° | 55.9° |
| C43 | C39 | C40 | H58 | 45.0° | 175.9° |
| C39 | C43 | O8 | N10 | 178.5° | 179.9° |
| C39 | C43 | N10 | C44 | 167.8° | 177.5° |
| C39 | C43 | N10 | H65 | 12.2° | 2.5° |
| H57 | C39 | C40 | C41 | 167.3° | 175.9° |
| H57 | C39 | C40 | C42 | 46.5° | 64.1° |
| H57 | C39 | C40 | H58 | 73.5° | 55.9° |
| H57 | C39 | C43 | O8 | 152.1° | 130.4° |
| H57 | C39 | C43 | N10 | 29.2° | 49.5° |
| C41 | C40 | C42 | H58 | 117.2° | 120.0° |
| C40 | C41 | H59 | H60 | 120.0° | 120.0° |
| C40 | C41 | H59 | H61 | 120.0° | 120.0° |
| C40 | C41 | H60 | H61 | 120.0° | 120.0° |
| C41 | C40 | C42 | H62 | 57.2° | 178.8° |
| C41 | C40 | C42 | H63 | 177.1° | 61.1° |
| C41 | C40 | C42 | H64 | 62.8° | 58.8° |
| C42 | C40 | C41 | H59 | 56.9° | 65.1° |
| C42 | C40 | C41 | H60 | 63.2° | 54.8° |
| C42 | C40 | C41 | H61 | 176.9° | 174.9° |
| C40 | C42 | H62 | H63 | 120.0° | 120.1° |
| C40 | C42 | H62 | H64 | 120.0° | 120.0° |
| C40 | C42 | H63 | H64 | 120.0° | 120.0° |
| H58 | C40 | C41 | H59 | 60.6° | 174.8° |
| H58 | C40 | C41 | H60 | 179.3° | 65.2° |
| H58 | C40 | C41 | H61 | 59.4° | 54.9° |
| H58 | C40 | C42 | H62 | 60.0° | 61.2° |
| H58 | C40 | C42 | H63 | 60.0° | 58.9° |
| H58 | C40 | C42 | H64 | 180.0° | 178.9° |
| H59 | C41 | H60 | H61 | 120.0° | 120.0° |
| H62 | C42 | H63 | H64 | 120.0° | 120.0° |
| O8 | C43 | N10 | C44 | 10.8° | 2.6° |
| O8 | C43 | N10 | H65 | 169.2° | 177.4° |
| C44 | N10 | H65 | C43 | 180.0° | 179.9° |
| N10 | C44 | C45 | C46 | 126.7° | 120.0° |
| N10 | C44 | C45 | H66 | 117.2° | 119.9° |
| N10 | C44 | C46 | H66 | 114.5° | 119.9° |
| N10 | C44 | C45 | O9 | 40.7° | 0.1° |
| N10 | C44 | C46 | C47 | 176.4° | 60.0° |
| N10 | C44 | C46 | C48 | 57.6° | 60.0° |
| N10 | C44 | C46 | H67 | 60.2° | 179.9° |
| N10 | C44 | C45 | N11 | 138.2° | 180.0° |
| H65 | N10 | C44 | C45 | 115.4° | 25.0° |
| H65 | N10 | C44 | C46 | 13.2° | 95.0° |
| H65 | N10 | C44 | H66 | 127.5° | 145.0° |
| C45 | C44 | C46 | H66 | 116.2° | 120.0° |
| C44 | C45 | O9 | N11 | 179.0° | 179.9° |
| C45 | C44 | C46 | C47 | 54.3° | 60.0° |
| C45 | C44 | C46 | C48 | 71.7° | 180.0° |
| C45 | C44 | C46 | H67 | 170.5° | 60.0° |
| C44 | C45 | N11 | C50 | 175.0° | 180.0° |
| C44 | C45 | N11 | H76 | 5.0° | 0.1° |
| C45 | C44 | N10 | C43 | 64.6° | 154.9° |
| C46 | C44 | C45 | O9 | 86.0° | 119.9° |
| C44 | C46 | C47 | C48 | 126.4° | 120.0° |
| C44 | C46 | C47 | H67 | 116.3° | 120.0° |
| C44 | C46 | C48 | H67 | 117.7° | 120.0° |
| C44 | C46 | C47 | C49 | 175.6° | 175.0° |
| C44 | C46 | C47 | H68 | 64.0° | 65.0° |
| C44 | C46 | C47 | H69 | 55.0° | 55.0° |
| C44 | C46 | C48 | H70 | 180.0° | 179.9° |
| C44 | C46 | C48 | H71 | 60.0° | 60.0° |
| C44 | C46 | C48 | H72 | 60.0° | 60.0° |
| C46 | C44 | N10 | C43 | 166.8° | 85.0° |
| C46 | C44 | C45 | N11 | 95.1° | 59.9° |
| H66 | C44 | C45 | O9 | 158.0° | 120.0° |
| H66 | C44 | C46 | C47 | 61.9° | 179.9° |
| H66 | C44 | C46 | C48 | 172.1° | 60.0° |
| H66 | C44 | C46 | H67 | 54.3° | 60.0° |
| H66 | C44 | N10 | C43 | 52.5° | 35.0° |
| H66 | C44 | C45 | N11 | 21.0° | 60.1° |
| O9 | C45 | N11 | C50 | 6.1° | 0.1° |
| O9 | C45 | N11 | H76 | 174.0° | 180.0° |
| C47 | C46 | C48 | H67 | 117.1° | 120.0° |
| C46 | C47 | C49 | H68 | 120.5° | 120.1° |
| C46 | C47 | C49 | H69 | 120.5° | 120.0° |
| C46 | C47 | H68 | H69 | 118.4° | 120.0° |
| C47 | C46 | C48 | H70 | 54.8° | 60.0° |
| C47 | C46 | C48 | H71 | 174.8° | 180.0° |
| C47 | C46 | C48 | H72 | 65.2° | 60.0° |
| C46 | C47 | C49 | H73 | 180.0° | 60.0° |
| C46 | C47 | C49 | H74 | 60.0° | 60.0° |
| C46 | C47 | C49 | H75 | 60.0° | 180.0° |
| C48 | C46 | C47 | C49 | 58.0° | 65.0° |
| C48 | C46 | C47 | H68 | 62.5° | 55.0° |
| C48 | C46 | C47 | H69 | 178.6° | 175.0° |
| C46 | C48 | H70 | H71 | 120.0° | 120.0° |
| C46 | C48 | H70 | H72 | 120.0° | 120.0° |
| C46 | C48 | H71 | H72 | 120.0° | 120.0° |
| H67 | C46 | C47 | C49 | 59.2° | 55.0° |
| H67 | C46 | C47 | H68 | 179.7° | 175.0° |
| H67 | C46 | C47 | H69 | 61.3° | 65.0° |
| H67 | C46 | C48 | H70 | 62.3° | 60.1° |
| H67 | C46 | C48 | H71 | 57.7° | 60.0° |
| H67 | C46 | C48 | H72 | 177.7° | 180.0° |
| C49 | C47 | H68 | H69 | 118.4° | 119.9° |
| C47 | C49 | H73 | H74 | 120.0° | 120.0° |
| C47 | C49 | H73 | H75 | 120.0° | 120.1° |
| C47 | C49 | H74 | H75 | 120.0° | 120.1° |
| H68 | C47 | C49 | H73 | 59.5° | 179.9° |
| H68 | C47 | C49 | H74 | 179.5° | 60.1° |
| H68 | C47 | C49 | H75 | 60.5° | 59.9° |
| H69 | C47 | C49 | H73 | 59.5° | 60.0° |
| H69 | C47 | C49 | H74 | 60.5° | 180.0° |
| H69 | C47 | C49 | H75 | 179.5° | 60.0° |
| H70 | C48 | H71 | H72 | 120.0° | 120.0° |
| H73 | C49 | H74 | H75 | 120.0° | 119.9° |
| C50 | N11 | H76 | C45 | 180.0° | 179.9° |
| N11 | C50 | C51 | C52 | 145.7° | 120.0° |
| N11 | C50 | C51 | H77 | 108.1° | 120.0° |
| N11 | C50 | C52 | H77 | 109.7° | 120.0° |
| N11 | C50 | C51 | O10 | 163.4° | 0.0° |
| N11 | C50 | C51 | O11 | 16.9° | 179.9° |
| N11 | C50 | C52 | C53 | 147.4° | 65.0° |
| N11 | C50 | C52 | H78 | 28.6° | 55.0° |
| N11 | C50 | C52 | H79 | 93.9° | 175.0° |
| H76 | N11 | C50 | C51 | 63.5° | 95.1° |
| H76 | N11 | C50 | C52 | 79.4° | 24.9° |
| H76 | N11 | C50 | H77 | 171.2° | 144.9° |
| C51 | C50 | C52 | H77 | 106.1° | 120.0° |
| C50 | C51 | O10 | O11 | 179.6° | 179.9° |
| C51 | C50 | C52 | C53 | 68.5° | 175.0° |
| C51 | C50 | C52 | H78 | 172.7° | 65.0° |
| C51 | C50 | C52 | H79 | 50.3° | 55.0° |
| C50 | C51 | O11 | H84 | 179.6° | 180.0° |
| C51 | C50 | N11 | C45 | 116.5° | 85.0° |
| C52 | C50 | C51 | O10 | 50.8° | 120.0° |
| C52 | C50 | C51 | O11 | 128.8° | 59.9° |
| C50 | C52 | C53 | H78 | 118.7° | 120.0° |
| C50 | C52 | C53 | H79 | 118.8° | 120.1° |
| C50 | C52 | H78 | H79 | 123.6° | 120.0° |
| C50 | C52 | C53 | N12 | 87.9° | 95.0° |
| C50 | C52 | C53 | C54 | 89.8° | 85.3° |
| C52 | C50 | N11 | C45 | 100.6° | 155.0° |
| H77 | C50 | C51 | O10 | 55.3° | 120.0° |
| H77 | C50 | C51 | O11 | 125.1° | 60.1° |
| H77 | C50 | C52 | C53 | 37.6° | 55.0° |
| H77 | C50 | C52 | H78 | 81.1° | 175.0° |
| H77 | C50 | C52 | H79 | 156.4° | 65.0° |
| H77 | C50 | N11 | C45 | 8.7° | 35.0° |
| O10 | C51 | O11 | H84 | 0.0° | 0.1° |
| C53 | C52 | H78 | H79 | 123.6° | 120.0° |
| C52 | C53 | N12 | C54 | 178.0° | 179.8° |
| C52 | C53 | N12 | C55 | 178.6° | 180.0° |
| C52 | C53 | N12 | H80 | 1.4° | 0.0° |
| C52 | C53 | C54 | N13 | 178.6° | 180.0° |
| C52 | C53 | C54 | H81 | 1.4° | 0.1° |
| H78 | C52 | C53 | N12 | 153.4° | 25.0° |
| H78 | C52 | C53 | C54 | 28.9° | 154.7° |
| H79 | C52 | C53 | N12 | 30.9° | 145.0° |
| H79 | C52 | C53 | C54 | 151.4° | 34.8° |
| C53 | N12 | C55 | H80 | 180.0° | 180.0° |
| N12 | C53 | C54 | N13 | 0.6° | 0.2° |
| N12 | C53 | C54 | H81 | 179.4° | 179.7° |
| C53 | N12 | C55 | N13 | 0.3° | 0.1° |
| C53 | N12 | C55 | H82 | 179.7° | 180.0° |
| C54 | C53 | N12 | C55 | 0.5° | 0.2° |
| C54 | C53 | N12 | H80 | 179.4° | 179.8° |
| C53 | C54 | N13 | H81 | 180.0° | 179.9° |
| C53 | C54 | N13 | C55 | 0.4° | 0.1° |
| C53 | C54 | N13 | H83 | 179.6° | 179.9° |
| N12 | C55 | N13 | C54 | 0.1° | 0.0° |
| N12 | C55 | N13 | H82 | 180.0° | 179.8° |
| N12 | C55 | N13 | H83 | 180.0° | 179.8° |
| H80 | N12 | C55 | N13 | 179.7° | 179.9° |
| H80 | N12 | C55 | H82 | 0.4° | 0.0° |
| C54 | N13 | C55 | H83 | 180.0° | 179.8° |
| C54 | N13 | C55 | H82 | 180.0° | 179.8° |
| H81 | C54 | N13 | C55 | 179.6° | 179.8° |
| H81 | C54 | N13 | H83 | 0.4° | 0.0° |
| H82 | C55 | N13 | H83 | 0.0° | 0.0° |
