PRD_002521
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | S1 | sing | 1.81Å | 1.80Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | S1 | sing | 1.81Å | 1.80Å | |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | S2 | sing | 1.82Å | 1.83Å | |
| C20 | C19 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | doub | 1.38Å | 1.42Å | Aromatic |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C18 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C14 | sing | 1.48Å | 1.48Å | |
| C14 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| O2 | C5 | doub | 1.21Å | 1.24Å | |
| C17 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | N1 | sing | 1.47Å | 1.44Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| N1 | H21 | sing | 0.97Å | 1.00Å | |
| N2 | C21 | sing | 1.47Å | 1.45Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.50Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.54Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | O3 | doub | 1.21Å | 1.24Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C25 | sing | 1.53Å | 1.54Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| N3 | C26 | sing | 1.47Å | 1.47Å | |
| N3 | C30 | sing | 1.47Å | 1.48Å | |
| C26 | C27 | sing | 1.49Å | 1.53Å | |
| C26 | C28 | sing | 1.54Å | 1.53Å | |
| C26 | H31 | sing | 1.10Å | 1.10Å | |
| C27 | O4 | doub | 1.21Å | 1.23Å | |
| C28 | C29 | sing | 1.54Å | 1.51Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.54Å | 1.52Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| N4 | C31 | sing | 1.47Å | 1.46Å | |
| N4 | H38 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.50Å | 1.53Å | |
| C31 | C33 | sing | 1.53Å | 1.54Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | O5 | doub | 1.21Å | 1.23Å | |
| C33 | O6 | sing | 1.43Å | 1.42Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C33 | H40 | sing | 1.09Å | 1.10Å | |
| O6 | H41 | sing | 0.97Å | 0.95Å | |
| C34 | H42 | sing | 1.09Å | 1.10Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| N5 | C35 | sing | 1.48Å | 1.47Å | |
| N5 | H45 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.51Å | 1.53Å | |
| C35 | C37 | sing | 1.53Å | 1.54Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | O7 | doub | 1.21Å | 1.23Å | |
| C37 | O8 | sing | 1.43Å | 1.41Å | |
| C37 | C38 | sing | 1.53Å | 1.55Å | |
| C37 | H47 | sing | 1.09Å | 1.10Å | |
| O8 | H48 | sing | 0.97Å | 0.95Å | |
| C38 | H49 | sing | 1.09Å | 1.10Å | |
| C38 | H50 | sing | 1.09Å | 1.10Å | |
| C38 | H51 | sing | 1.09Å | 1.10Å | |
| N6 | C39 | sing | 1.48Å | 1.46Å | |
| N6 | H52 | sing | 0.97Å | 1.00Å | |
| C39 | C40 | sing | 1.50Å | 1.55Å | |
| C39 | C41 | sing | 1.53Å | 1.55Å | |
| C39 | H53 | sing | 1.09Å | 1.10Å | |
| C40 | O9 | doub | 1.21Å | 1.24Å | |
| C41 | C42 | sing | 1.51Å | 1.52Å | |
| C41 | H54 | sing | 1.09Å | 1.10Å | |
| C41 | H55 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | doub | 1.38Å | 1.42Å | Aromatic |
| C42 | C44 | sing | 1.38Å | 1.41Å | Aromatic |
| C43 | C45 | sing | 1.38Å | 1.42Å | Aromatic |
| C43 | H56 | sing | 1.08Å | 1.08Å | |
| C44 | C46 | doub | 1.38Å | 1.41Å | Aromatic |
| C44 | H57 | sing | 1.08Å | 1.08Å | |
| C45 | C47 | doub | 1.38Å | 1.40Å | Aromatic |
| C45 | H58 | sing | 1.08Å | 1.08Å | |
| C46 | C47 | sing | 1.38Å | 1.42Å | Aromatic |
| C46 | H59 | sing | 1.08Å | 1.08Å | |
| C47 | H60 | sing | 1.08Å | 1.08Å | |
| N7 | C48 | sing | 1.47Å | 1.48Å | |
| N7 | C49 | sing | 1.48Å | 1.48Å | |
| C48 | H61 | sing | 1.09Å | 1.10Å | |
| C48 | H62 | sing | 1.09Å | 1.10Å | |
| C48 | H63 | sing | 1.09Å | 1.10Å | |
| C49 | C50 | sing | 1.53Å | 1.55Å | |
| C49 | C51 | sing | 1.51Å | 1.53Å | |
| C49 | H64 | sing | 1.09Å | 1.10Å | |
| C50 | H65 | sing | 1.09Å | 1.10Å | |
| C50 | H66 | sing | 1.09Å | 1.10Å | |
| C50 | H67 | sing | 1.09Å | 1.10Å | |
| C51 | O10 | doub | 1.21Å | 1.22Å | |
| N8 | C52 | sing | 1.47Å | 1.46Å | |
| N8 | H68 | sing | 0.97Å | 1.00Å | |
| C52 | C53 | sing | 1.51Å | 1.55Å | |
| C52 | C54 | sing | 1.52Å | 1.56Å | |
| C52 | H69 | sing | 1.09Å | 1.10Å | |
| C53 | O11 | doub | 1.21Å | 1.23Å | |
| C54 | S3 | sing | 1.81Å | 1.83Å | |
| C54 | H70 | sing | 1.09Å | 1.10Å | |
| C54 | H71 | sing | 1.09Å | 1.10Å | |
| N9 | C55 | sing | 1.47Å | 1.46Å | |
| N9 | C60 | sing | 1.47Å | 1.47Å | |
| C55 | C56 | sing | 1.53Å | 1.54Å | |
| C55 | H72 | sing | 1.09Å | 1.10Å | |
| C55 | H73 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | sing | 1.53Å | 1.55Å | |
| C56 | H74 | sing | 1.09Å | 1.10Å | |
| C56 | H75 | sing | 1.09Å | 1.10Å | |
| C57 | C58 | sing | 1.51Å | 1.55Å | |
| C57 | C59 | sing | 1.53Å | 1.56Å | |
| C57 | H76 | sing | 1.09Å | 1.10Å | |
| C58 | O12 | doub | 1.21Å | 1.23Å | |
| C58 | O13 | sing | 1.34Å | 1.37Å | |
| O13 | H77 | sing | 0.97Å | 0.95Å | |
| C59 | C60 | sing | 1.53Å | 1.54Å | |
| C59 | H78 | sing | 1.09Å | 1.10Å | |
| C59 | H79 | sing | 1.09Å | 1.10Å | |
| C60 | H80 | sing | 1.09Å | 1.10Å | |
| C60 | H81 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.32Å | |
| C5 | N2 | sing | 1.36Å | 1.34Å | |
| S2 | S3 | sing | 2.05Å | 2.07Å | |
| C22 | N3 | sing | 1.34Å | 1.34Å | |
| C27 | N4 | sing | 1.36Å | 1.35Å | |
| C32 | N5 | sing | 1.37Å | 1.34Å | |
| C36 | N6 | sing | 1.36Å | 1.33Å | |
| C40 | N7 | sing | 1.36Å | 1.36Å | |
| C51 | N8 | sing | 1.36Å | 1.32Å | |
| C53 | N9 | sing | 1.35Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | S1 | 111.3° | 109.5° |
| C4 | C3 | H3 | 109.0° | 109.4° |
| C4 | C3 | H4 | 109.0° | 109.5° |
| C3 | C4 | H5 | 109.5° | 109.4° |
| C3 | C4 | H6 | 109.4° | 109.5° |
| C3 | C4 | H7 | 109.5° | 109.5° |
| C3 | S1 | C2 | 104.5° | 103.0° |
| S1 | C3 | H3 | 109.0° | 109.5° |
| S1 | C3 | H4 | 109.0° | 109.5° |
| C1 | C2 | S1 | 108.1° | 109.5° |
| C2 | C1 | O1 | 122.6° | 120.0° |
| C1 | C2 | H1 | 109.8° | 109.5° |
| C1 | C2 | H2 | 109.8° | 109.5° |
| C2 | C1 | N1 | 112.4° | 120.0° |
| S1 | C2 | H1 | 109.8° | 109.4° |
| S1 | C2 | H2 | 109.8° | 109.5° |
| O1 | C1 | N1 | 125.0° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H5 | C4 | H7 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| S2 | C20 | C19 | 114.5° | 109.6° |
| S2 | C20 | H19 | 108.2° | 109.5° |
| S2 | C20 | H20 | 108.2° | 109.4° |
| C20 | S2 | S3 | 112.3° | 103.0° |
| C20 | C19 | C18 | 117.8° | 119.4° |
| C20 | C19 | C14 | 122.9° | 120.9° |
| C19 | C20 | H19 | 108.2° | 109.4° |
| C19 | C20 | H20 | 108.2° | 109.4° |
| C13 | C12 | C11 | 119.9° | 120.2° |
| C12 | C13 | C8 | 119.0° | 120.1° |
| C13 | C12 | H13 | 120.0° | 119.9° |
| C12 | C13 | H14 | 120.5° | 119.9° |
| C12 | C11 | C10 | 121.8° | 119.8° |
| C12 | C11 | H12 | 119.1° | 120.1° |
| C11 | C12 | H13 | 120.0° | 119.9° |
| C13 | C8 | C7 | 119.0° | 120.2° |
| C13 | C8 | C9 | 120.8° | 120.2° |
| C8 | C13 | H14 | 120.5° | 120.0° |
| C18 | C19 | C14 | 119.3° | 119.7° |
| C19 | C18 | C17 | 120.8° | 120.5° |
| C19 | C18 | H18 | 119.6° | 119.8° |
| C19 | C14 | C10 | 121.4° | 121.4° |
| C19 | C14 | C15 | 119.6° | 119.4° |
| C11 | C10 | C9 | 117.9° | 119.6° |
| C11 | C10 | C14 | 118.8° | 118.9° |
| C10 | C11 | H12 | 119.1° | 120.1° |
| C7 | C8 | C9 | 120.2° | 119.6° |
| C8 | C7 | C6 | 112.7° | 109.8° |
| C8 | C7 | H9 | 108.7° | 109.4° |
| C8 | C7 | H10 | 108.6° | 109.3° |
| C8 | C9 | C10 | 120.6° | 120.1° |
| C8 | C9 | H11 | 119.7° | 120.0° |
| C7 | C6 | N1 | 112.2° | 109.4° |
| C7 | C6 | C5 | 111.9° | 110.1° |
| C7 | C6 | H8 | 108.1° | 109.3° |
| C6 | C7 | H9 | 108.7° | 109.5° |
| C6 | C7 | H10 | 108.7° | 109.4° |
| C18 | C17 | C16 | 120.1° | 120.0° |
| C18 | C17 | H17 | 120.0° | 120.0° |
| C17 | C18 | H18 | 119.6° | 119.8° |
| C9 | C10 | C14 | 123.3° | 121.5° |
| C10 | C9 | H11 | 119.7° | 120.0° |
| C10 | C14 | C15 | 119.0° | 119.2° |
| C14 | C15 | C16 | 120.7° | 120.2° |
| C14 | C15 | H15 | 119.7° | 119.9° |
| O2 | C5 | C6 | 119.1° | 120.7° |
| O2 | C5 | N2 | 120.5° | 120.8° |
| C17 | C16 | C15 | 119.6° | 120.1° |
| C17 | C16 | H16 | 120.2° | 119.9° |
| C16 | C17 | H17 | 120.0° | 120.0° |
| N1 | C6 | C5 | 106.7° | 109.4° |
| N1 | C6 | H8 | 109.4° | 109.3° |
| C6 | N1 | H21 | 117.5° | 120.0° |
| C6 | N1 | C1 | 125.0° | 120.0° |
| C5 | C6 | H8 | 108.4° | 109.4° |
| C6 | C5 | N2 | 120.4° | 118.5° |
| C16 | C15 | H15 | 119.7° | 119.9° |
| C15 | C16 | H16 | 120.2° | 120.0° |
| H9 | C7 | H10 | 109.5° | 109.4° |
| H19 | C20 | H20 | 109.5° | 109.4° |
| H21 | N1 | C1 | 117.5° | 120.0° |
| C21 | N2 | H22 | 115.4° | 121.5° |
| N2 | C21 | C22 | 107.8° | 109.7° |
| N2 | C21 | C23 | 112.6° | 109.4° |
| N2 | C21 | H23 | 107.3° | 109.4° |
| C21 | N2 | C5 | 129.1° | 116.9° |
| H22 | N2 | C5 | 115.5° | 121.5° |
| C22 | C21 | C23 | 115.9° | 109.4° |
| C22 | C21 | H23 | 106.4° | 109.4° |
| C21 | C22 | O3 | 116.0° | 119.7° |
| C21 | C22 | N3 | 120.0° | 120.5° |
| C23 | C21 | H23 | 106.3° | 109.4° |
| C21 | C23 | C24 | 112.4° | 109.4° |
| C21 | C23 | C25 | 110.6° | 109.5° |
| C21 | C23 | H24 | 107.0° | 109.5° |
| O3 | C22 | N3 | 123.9° | 119.8° |
| C24 | C23 | C25 | 112.2° | 109.5° |
| C24 | C23 | H24 | 107.1° | 109.5° |
| C23 | C24 | H25 | 109.5° | 109.5° |
| C23 | C24 | H26 | 109.5° | 109.4° |
| C23 | C24 | H27 | 109.5° | 109.5° |
| C25 | C23 | H24 | 107.1° | 109.5° |
| C23 | C25 | H28 | 109.5° | 109.5° |
| C23 | C25 | H29 | 109.5° | 109.5° |
| C23 | C25 | H30 | 109.4° | 109.5° |
| H25 | C24 | H26 | 109.4° | 109.5° |
| H25 | C24 | H27 | 109.5° | 109.5° |
| H26 | C24 | H27 | 109.5° | 109.5° |
| H28 | C25 | H29 | 109.5° | 109.5° |
| H28 | C25 | H30 | 109.5° | 109.4° |
| H29 | C25 | H30 | 109.5° | 109.4° |
| C26 | N3 | C30 | 110.4° | 108.5° |
| N3 | C26 | C27 | 112.9° | 111.3° |
| N3 | C26 | C28 | 104.3° | 107.3° |
| N3 | C26 | H31 | 108.2° | 109.0° |
| C26 | N3 | C22 | 122.4° | 126.0° |
| N3 | C30 | C29 | 104.9° | 107.9° |
| N3 | C30 | H36 | 110.6° | 109.7° |
| N3 | C30 | H37 | 110.6° | 109.8° |
| C30 | N3 | C22 | 127.2° | 125.5° |
| C27 | C26 | C28 | 116.2° | 111.5° |
| C27 | C26 | H31 | 107.4° | 109.4° |
| C26 | C27 | O4 | 118.8° | 119.1° |
| C26 | C27 | N4 | 120.4° | 121.8° |
| C28 | C26 | H31 | 107.5° | 108.3° |
| C26 | C28 | C29 | 103.4° | 104.0° |
| C26 | C28 | H32 | 110.9° | 110.5° |
| C26 | C28 | H33 | 111.0° | 110.6° |
| O4 | C27 | N4 | 120.8° | 119.1° |
| C29 | C28 | H32 | 111.0° | 110.5° |
| C29 | C28 | H33 | 111.0° | 110.5° |
| C28 | C29 | C30 | 104.1° | 106.3° |
| C28 | C29 | H34 | 110.8° | 110.1° |
| C28 | C29 | H35 | 110.8° | 110.1° |
| H32 | C28 | H33 | 109.5° | 110.6° |
| C30 | C29 | H34 | 110.8° | 110.0° |
| C30 | C29 | H35 | 110.8° | 110.1° |
| C29 | C30 | H36 | 110.6° | 109.8° |
| C29 | C30 | H37 | 110.6° | 109.8° |
| H34 | C29 | H35 | 109.5° | 110.1° |
| H36 | C30 | H37 | 109.5° | 109.8° |
| C31 | N4 | H38 | 117.9° | 121.6° |
| N4 | C31 | C32 | 108.0° | 110.9° |
| N4 | C31 | C33 | 114.9° | 109.2° |
| N4 | C31 | H39 | 106.7° | 109.2° |
| C31 | N4 | C27 | 124.2° | 116.8° |
| H38 | N4 | C27 | 117.9° | 121.6° |
| C32 | C31 | C33 | 114.8° | 109.2° |
| C32 | C31 | H39 | 105.9° | 109.2° |
| C31 | C32 | O5 | 120.5° | 121.3° |
| C31 | C32 | N5 | 115.5° | 117.4° |
| C33 | C31 | H39 | 105.8° | 109.1° |
| C31 | C33 | O6 | 107.6° | 109.4° |
| C31 | C33 | C34 | 114.6° | 109.5° |
| C31 | C33 | H40 | 107.5° | 109.5° |
| O5 | C32 | N5 | 124.0° | 121.3° |
| O6 | C33 | C34 | 110.5° | 109.5° |
| O6 | C33 | H40 | 109.0° | 109.5° |
| C33 | O6 | H41 | 109.5° | 114.0° |
| C34 | C33 | H40 | 107.5° | 109.5° |
| C33 | C34 | H42 | 109.5° | 109.5° |
| C33 | C34 | H43 | 109.4° | 109.4° |
| C33 | C34 | H44 | 109.5° | 109.5° |
| H42 | C34 | H43 | 109.5° | 109.5° |
| H42 | C34 | H44 | 109.4° | 109.5° |
| H43 | C34 | H44 | 109.5° | 109.5° |
| C35 | N5 | H45 | 117.0° | 121.7° |
| N5 | C35 | C36 | 104.0° | 108.0° |
| N5 | C35 | C37 | 114.3° | 109.8° |
| N5 | C35 | H46 | 108.7° | 109.8° |
| C35 | N5 | C32 | 126.0° | 116.6° |
| H45 | N5 | C32 | 117.0° | 121.7° |
| C36 | C35 | C37 | 113.9° | 109.8° |
| C36 | C35 | H46 | 107.9° | 109.7° |
| C35 | C36 | O7 | 119.1° | 120.1° |
| C35 | C36 | N6 | 121.4° | 119.8° |
| C37 | C35 | H46 | 107.8° | 109.8° |
| C35 | C37 | O8 | 109.9° | 109.5° |
| C35 | C37 | C38 | 112.3° | 109.4° |
| C35 | C37 | H47 | 107.9° | 109.4° |
| O7 | C36 | N6 | 119.4° | 120.2° |
| O8 | C37 | C38 | 109.4° | 109.5° |
| O8 | C37 | H47 | 109.5° | 109.5° |
| C37 | O8 | H48 | 109.5° | 114.0° |
| C38 | C37 | H47 | 107.8° | 109.5° |
| C37 | C38 | H49 | 109.5° | 109.5° |
| C37 | C38 | H50 | 109.5° | 109.5° |
| C37 | C38 | H51 | 109.4° | 109.5° |
| H49 | C38 | H50 | 109.5° | 109.4° |
| H49 | C38 | H51 | 109.5° | 109.4° |
| H50 | C38 | H51 | 109.5° | 109.5° |
| C39 | N6 | H52 | 120.4° | 121.8° |
| N6 | C39 | C40 | 108.5° | 108.8° |
| N6 | C39 | C41 | 107.0° | 109.6° |
| N6 | C39 | H53 | 110.3° | 109.6° |
| C39 | N6 | C36 | 119.2° | 116.5° |
| H52 | N6 | C36 | 120.4° | 121.7° |
| C40 | C39 | C41 | 112.8° | 109.5° |
| C40 | C39 | H53 | 109.1° | 109.6° |
| C39 | C40 | O9 | 119.8° | 120.3° |
| C39 | C40 | N7 | 120.4° | 119.4° |
| C41 | C39 | H53 | 109.2° | 109.7° |
| C39 | C41 | C42 | 116.2° | 109.5° |
| C39 | C41 | H54 | 107.7° | 109.5° |
| C39 | C41 | H55 | 107.8° | 109.5° |
| O9 | C40 | N7 | 119.8° | 120.3° |
| C42 | C41 | H54 | 107.7° | 109.4° |
| C42 | C41 | H55 | 107.8° | 109.5° |
| C41 | C42 | C43 | 120.5° | 120.0° |
| C41 | C42 | C44 | 119.8° | 120.0° |
| H54 | C41 | H55 | 109.5° | 109.5° |
| C43 | C42 | C44 | 119.7° | 120.0° |
| C42 | C43 | C45 | 120.5° | 120.0° |
| C42 | C43 | H56 | 119.7° | 120.0° |
| C42 | C44 | C46 | 119.7° | 120.0° |
| C42 | C44 | H57 | 120.1° | 120.1° |
| C45 | C43 | H56 | 119.7° | 120.0° |
| C43 | C45 | C47 | 119.4° | 120.0° |
| C43 | C45 | H58 | 120.3° | 120.0° |
| C46 | C44 | H57 | 120.2° | 119.9° |
| C44 | C46 | C47 | 120.4° | 120.0° |
| C44 | C46 | H59 | 119.8° | 120.1° |
| C47 | C45 | H58 | 120.3° | 120.1° |
| C45 | C47 | C46 | 120.2° | 120.0° |
| C45 | C47 | H60 | 119.9° | 120.0° |
| C47 | C46 | H59 | 119.8° | 119.9° |
| C46 | C47 | H60 | 119.9° | 120.0° |
| C48 | N7 | C49 | 116.9° | 122.1° |
| N7 | C48 | H61 | 109.5° | 109.5° |
| N7 | C48 | H62 | 109.5° | 109.5° |
| N7 | C48 | H63 | 109.5° | 109.5° |
| C48 | N7 | C40 | 120.0° | 122.1° |
| N7 | C49 | C50 | 112.4° | 109.6° |
| N7 | C49 | C51 | 106.6° | 108.6° |
| N7 | C49 | H64 | 108.2° | 109.6° |
| C49 | N7 | C40 | 123.0° | 115.8° |
| H61 | C48 | H62 | 109.5° | 109.5° |
| H61 | C48 | H63 | 109.4° | 109.4° |
| H62 | C48 | H63 | 109.4° | 109.5° |
| C50 | C49 | C51 | 114.2° | 109.6° |
| C50 | C49 | H64 | 107.4° | 109.6° |
| C49 | C50 | H65 | 109.5° | 109.4° |
| C49 | C50 | H66 | 109.4° | 109.5° |
| C49 | C50 | H67 | 109.5° | 109.5° |
| C51 | C49 | H64 | 107.7° | 109.8° |
| C49 | C51 | O10 | 121.6° | 120.4° |
| C49 | C51 | N8 | 116.3° | 119.0° |
| H65 | C50 | H66 | 109.5° | 109.5° |
| H65 | C50 | H67 | 109.5° | 109.5° |
| H66 | C50 | H67 | 109.5° | 109.5° |
| O10 | C51 | N8 | 122.0° | 120.5° |
| C52 | N8 | H68 | 116.6° | 121.5° |
| N8 | C52 | C53 | 109.5° | 109.4° |
| N8 | C52 | C54 | 105.9° | 109.7° |
| N8 | C52 | H69 | 110.5° | 109.4° |
| C52 | N8 | C51 | 126.7° | 117.0° |
| H68 | N8 | C51 | 116.7° | 121.5° |
| C53 | C52 | C54 | 112.4° | 109.3° |
| C53 | C52 | H69 | 109.3° | 109.5° |
| C52 | C53 | O11 | 119.4° | 120.0° |
| C52 | C53 | N9 | 119.5° | 120.0° |
| C54 | C52 | H69 | 109.2° | 109.5° |
| C52 | C54 | S3 | 115.3° | 109.8° |
| C52 | C54 | H70 | 108.0° | 109.5° |
| C52 | C54 | H71 | 108.0° | 109.5° |
| O11 | C53 | N9 | 121.1° | 120.0° |
| S3 | C54 | H70 | 108.0° | 109.3° |
| S3 | C54 | H71 | 108.0° | 109.3° |
| C54 | S3 | S2 | 105.4° | 103.4° |
| H70 | C54 | H71 | 109.5° | 109.5° |
| C55 | N9 | C60 | 110.8° | 118.7° |
| N9 | C55 | C56 | 105.0° | 108.8° |
| N9 | C55 | H72 | 110.6° | 109.7° |
| N9 | C55 | H73 | 110.6° | 109.6° |
| C55 | N9 | C53 | 126.3° | 120.6° |
| N9 | C60 | C59 | 107.1° | 109.0° |
| N9 | C60 | H80 | 110.1° | 109.6° |
| N9 | C60 | H81 | 110.0° | 109.6° |
| C60 | N9 | C53 | 122.9° | 120.6° |
| C56 | C55 | H72 | 110.6° | 109.6° |
| C56 | C55 | H73 | 110.6° | 109.5° |
| C55 | C56 | C57 | 111.7° | 109.3° |
| C55 | C56 | H74 | 108.9° | 109.5° |
| C55 | C56 | H75 | 108.9° | 109.5° |
| H72 | C55 | H73 | 109.5° | 109.7° |
| C57 | C56 | H74 | 108.9° | 109.5° |
| C57 | C56 | H75 | 108.9° | 109.5° |
| C56 | C57 | C58 | 108.3° | 109.4° |
| C56 | C57 | C59 | 113.5° | 109.5° |
| C56 | C57 | H76 | 107.1° | 109.4° |
| H74 | C56 | H75 | 109.5° | 109.5° |
| C58 | C57 | C59 | 113.5° | 109.5° |
| C58 | C57 | H76 | 107.1° | 109.5° |
| C57 | C58 | O12 | 125.0° | 120.0° |
| C57 | C58 | O13 | 111.6° | 120.0° |
| C59 | C57 | H76 | 107.0° | 109.4° |
| C57 | C59 | C60 | 113.6° | 109.5° |
| C57 | C59 | H78 | 108.4° | 109.5° |
| C57 | C59 | H79 | 108.4° | 109.5° |
| O12 | C58 | O13 | 123.4° | 120.0° |
| C58 | O13 | H77 | 109.5° | 117.0° |
| C60 | C59 | H78 | 108.4° | 109.6° |
| C60 | C59 | H79 | 108.4° | 109.3° |
| C59 | C60 | H80 | 110.1° | 109.5° |
| C59 | C60 | H81 | 110.1° | 109.4° |
| H78 | C59 | H79 | 109.5° | 109.5° |
| H80 | C60 | H81 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | S1 | H3 | 120.2° | 119.9° |
| C4 | C3 | S1 | H4 | 120.3° | 120.1° |
| C4 | C3 | S1 | C2 | 48.4° | 180.0° |
| C4 | C3 | H3 | H4 | 119.2° | 120.0° |
| C3 | C4 | H5 | H6 | 120.0° | 120.0° |
| C3 | C4 | H5 | H7 | 120.0° | 120.0° |
| C3 | C4 | H6 | H7 | 120.0° | 120.0° |
| C3 | S1 | C2 | C1 | 123.8° | 180.0° |
| C3 | S1 | C2 | H1 | 116.4° | 60.0° |
| C3 | S1 | C2 | H2 | 4.1° | 60.0° |
| S1 | C3 | H3 | H4 | 119.2° | 120.0° |
| S1 | C3 | C4 | H5 | 180.0° | 60.0° |
| S1 | C3 | C4 | H6 | 60.0° | 60.0° |
| S1 | C3 | C4 | H7 | 60.0° | 180.0° |
| C1 | C2 | S1 | H1 | 119.8° | 120.0° |
| C1 | C2 | S1 | H2 | 119.8° | 120.0° |
| C2 | C1 | O1 | N1 | 177.5° | 179.8° |
| C1 | C2 | H1 | H2 | 120.6° | 120.0° |
| C2 | C1 | N1 | C6 | 179.8° | 179.7° |
| C2 | C1 | N1 | H21 | 0.2° | 0.2° |
| S1 | C2 | C1 | O1 | 22.0° | 0.1° |
| S1 | C2 | H1 | H2 | 120.7° | 120.0° |
| C2 | S1 | C3 | H3 | 71.8° | 60.0° |
| C2 | S1 | C3 | H4 | 168.7° | 60.0° |
| S1 | C2 | C1 | N1 | 155.7° | 179.8° |
| O1 | C1 | C2 | H1 | 97.8° | 120.0° |
| O1 | C1 | C2 | H2 | 141.8° | 120.0° |
| O1 | C1 | N1 | C6 | 2.1° | 0.1° |
| O1 | C1 | N1 | H21 | 177.9° | 180.0° |
| H1 | C2 | C1 | N1 | 84.5° | 59.8° |
| H2 | C2 | C1 | N1 | 36.0° | 60.2° |
| H3 | C3 | C4 | H5 | 59.8° | NaN° |
| H3 | C3 | C4 | H6 | 60.3° | 60.0° |
| H3 | C3 | C4 | H7 | 179.8° | 60.0° |
| H4 | C3 | C4 | H5 | 59.7° | 60.0° |
| H4 | C3 | C4 | H6 | 179.7° | 180.0° |
| H4 | C3 | C4 | H7 | 60.3° | 60.0° |
| H5 | C4 | H6 | H7 | 120.0° | 120.0° |
| S2 | C20 | C19 | H19 | 120.7° | 120.1° |
| S2 | C20 | C19 | H20 | 120.8° | 120.0° |
| S2 | C20 | C19 | C18 | 63.4° | 39.9° |
| S2 | C20 | C19 | C14 | 117.1° | 139.4° |
| S2 | C20 | H19 | H20 | 117.7° | 119.9° |
| C20 | S2 | S3 | C54 | 99.0° | 176.0° |
| C20 | C19 | C18 | C14 | 179.5° | 179.4° |
| C20 | C19 | C18 | C17 | 179.8° | 177.3° |
| C20 | C19 | C14 | C10 | 1.2° | 2.3° |
| C20 | C19 | C14 | C15 | 179.2° | 175.1° |
| C20 | C19 | C18 | H18 | 0.1° | 2.7° |
| C19 | C20 | H19 | H20 | 117.7° | 119.9° |
| C19 | C20 | S2 | S3 | 59.3° | 119.4° |
| C13 | C12 | C11 | H13 | 180.0° | 180.0° |
| C12 | C13 | C8 | H14 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.8° | 1.3° |
| C12 | C13 | C8 | C7 | 179.8° | 178.7° |
| C12 | C13 | C8 | C9 | 0.4° | 2.2° |
| C13 | C12 | C11 | H12 | 179.2° | 178.6° |
| C11 | C12 | C13 | C8 | 0.2° | 0.0° |
| C12 | C11 | C10 | H12 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 1.4° | 0.5° |
| C12 | C11 | C10 | C14 | 178.9° | 179.2° |
| C11 | C12 | C13 | H14 | 179.8° | 180.0° |
| C13 | C8 | C7 | C9 | 179.4° | 179.2° |
| C13 | C8 | C7 | C6 | 77.4° | 57.3° |
| C13 | C8 | C9 | C10 | 0.2° | 3.0° |
| C13 | C8 | C7 | H9 | 162.1° | 62.8° |
| C13 | C8 | C7 | H10 | 43.1° | 177.4° |
| C13 | C8 | C9 | H11 | 179.7° | 177.1° |
| C8 | C13 | C12 | H13 | 179.8° | 180.0° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| C18 | C19 | C14 | C10 | 178.3° | 178.3° |
| C18 | C19 | C14 | C15 | 0.3° | 4.2° |
| C19 | C18 | C17 | C16 | 1.1° | 0.6° |
| C19 | C18 | C17 | H17 | 178.9° | 179.4° |
| C18 | C19 | C20 | H19 | 175.9° | 80.2° |
| C18 | C19 | C20 | H20 | 57.4° | 159.9° |
| C19 | C14 | C10 | C11 | 112.3° | 155.2° |
| C14 | C19 | C18 | C17 | 0.3° | 2.1° |
| C19 | C14 | C10 | C9 | 65.0° | 24.5° |
| C19 | C14 | C10 | C15 | 178.0° | 177.5° |
| C19 | C14 | C15 | C16 | 0.0° | 3.7° |
| C19 | C14 | C15 | H15 | 179.9° | 176.3° |
| C14 | C19 | C18 | H18 | 179.7° | 178.0° |
| C14 | C19 | C20 | H19 | 3.6° | 100.5° |
| C14 | C19 | C20 | H20 | 122.1° | 19.4° |
| C11 | C10 | C9 | C8 | 1.2° | 1.6° |
| C11 | C10 | C9 | C14 | 177.3° | 179.7° |
| C11 | C10 | C14 | C15 | 65.7° | 22.3° |
| C11 | C10 | C9 | H11 | 178.8° | 178.4° |
| C10 | C11 | C12 | H13 | 179.2° | 178.6° |
| C8 | C7 | C6 | H9 | 120.5° | 120.1° |
| C8 | C7 | C6 | H10 | 120.5° | 120.0° |
| C7 | C8 | C9 | C10 | 179.1° | 177.8° |
| C8 | C7 | C6 | N1 | 66.3° | 18.8° |
| C8 | C7 | C6 | C5 | 173.7° | 138.9° |
| C8 | C7 | C6 | H8 | 54.4° | 100.9° |
| C8 | C7 | H9 | H10 | 118.5° | 119.8° |
| C7 | C8 | C9 | H11 | 0.9° | 2.1° |
| C7 | C8 | C13 | H14 | 0.2° | 1.3° |
| C9 | C8 | C7 | C6 | 102.0° | 121.8° |
| C8 | C9 | C10 | H11 | 180.0° | 179.9° |
| C8 | C9 | C10 | C14 | 178.5° | 178.7° |
| C9 | C8 | C7 | H9 | 18.5° | 118.0° |
| C9 | C8 | C7 | H10 | 137.5° | 1.8° |
| C9 | C8 | C13 | H14 | 179.6° | 177.8° |
| C7 | C6 | C5 | O2 | 83.0° | 62.4° |
| C7 | C6 | N1 | C5 | 123.0° | 120.6° |
| C7 | C6 | N1 | H8 | 120.0° | 119.7° |
| C7 | C6 | C5 | H8 | 119.1° | 120.1° |
| C6 | C7 | H9 | H10 | 118.6° | 119.9° |
| C7 | C6 | N1 | H21 | 51.4° | 84.8° |
| C7 | C6 | N1 | C1 | 128.6° | 95.3° |
| C7 | C6 | C5 | N2 | 98.0° | 117.9° |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 1.3° | 1.0° |
| C18 | C17 | C16 | H16 | 178.7° | 178.9° |
| C9 | C10 | C14 | C15 | 117.0° | 158.0° |
| C9 | C10 | C11 | H12 | 178.6° | 179.4° |
| C10 | C14 | C15 | C16 | 178.1° | 178.7° |
| C14 | C10 | C9 | H11 | 1.5° | 1.2° |
| C14 | C10 | C11 | H12 | 1.1° | 0.9° |
| C10 | C14 | C15 | H15 | 1.9° | 1.2° |
| C14 | C15 | C16 | C17 | 0.8° | 1.1° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | H16 | 179.2° | 178.9° |
| O2 | C5 | C6 | N1 | 40.1° | 57.7° |
| O2 | C5 | C6 | N2 | 178.9° | 179.7° |
| O2 | C5 | C6 | H8 | 157.8° | 177.4° |
| O2 | C5 | N2 | C21 | 2.7° | 2.6° |
| O2 | C5 | N2 | H22 | 177.3° | 177.3° |
| C17 | C16 | C15 | H16 | 180.0° | 180.0° |
| C17 | C16 | C15 | H15 | 179.3° | 178.9° |
| C16 | C17 | C18 | H18 | 178.9° | 179.4° |
| N1 | C6 | C5 | H8 | 117.7° | 119.7° |
| N1 | C6 | C7 | H9 | 173.2° | 101.4° |
| N1 | C6 | C7 | H10 | 54.1° | 138.7° |
| C6 | N1 | H21 | C1 | 180.0° | 179.9° |
| N1 | C6 | C5 | N2 | 138.8° | 122.0° |
| C5 | C6 | C7 | H9 | 53.2° | 18.8° |
| C5 | C6 | C7 | H10 | 65.9° | 101.1° |
| C5 | C6 | N1 | H21 | 71.6° | 35.8° |
| C6 | C5 | N2 | C21 | 178.4° | 177.1° |
| C6 | C5 | N2 | H22 | 1.6° | 3.0° |
| C5 | C6 | N1 | C1 | 108.4° | 144.1° |
| C15 | C16 | C17 | H17 | 178.7° | 178.9° |
| H8 | C6 | C7 | H9 | 66.1° | 139.0° |
| H8 | C6 | C7 | H10 | 174.8° | 19.0° |
| H8 | C6 | N1 | H21 | 171.3° | 155.6° |
| H8 | C6 | N1 | C1 | 8.7° | 24.3° |
| H8 | C6 | C5 | N2 | 21.1° | 2.3° |
| H12 | C11 | C12 | H13 | 0.8° | 1.4° |
| H13 | C12 | C13 | H14 | 0.1° | 0.0° |
| H15 | C15 | C16 | H16 | 0.8° | 1.0° |
| H16 | C16 | C17 | H17 | 1.3° | 1.1° |
| H17 | C17 | C18 | H18 | 1.1° | 0.7° |
| H19 | C20 | S2 | S3 | 61.4° | 0.7° |
| H20 | C20 | S2 | S3 | 179.9° | 120.6° |
| C21 | N2 | H22 | C5 | 180.0° | 179.9° |
| N2 | C21 | C22 | C23 | 127.2° | 120.0° |
| N2 | C21 | C22 | H23 | 114.9° | 120.1° |
| N2 | C21 | C23 | H23 | 117.2° | 119.9° |
| N2 | C21 | C22 | O3 | 32.9° | 38.1° |
| N2 | C21 | C23 | C24 | 70.6° | 61.1° |
| N2 | C21 | C23 | C25 | 55.7° | 58.9° |
| N2 | C21 | C23 | H24 | 172.0° | 179.0° |
| N2 | C21 | C22 | N3 | 146.5° | 142.0° |
| H22 | N2 | C21 | C22 | 59.1° | 20.3° |
| H22 | N2 | C21 | C23 | 70.0° | 99.8° |
| H22 | N2 | C21 | H23 | 173.4° | 140.3° |
| C22 | C21 | C23 | H23 | 118.0° | 119.9° |
| C21 | C22 | O3 | N3 | 179.4° | 179.9° |
| C22 | C21 | C23 | C24 | 164.6° | 178.7° |
| C22 | C21 | C23 | C25 | 69.2° | 61.2° |
| C22 | C21 | C23 | H24 | 47.2° | 58.8° |
| C21 | C22 | N3 | C26 | 178.5° | 177.7° |
| C21 | C22 | N3 | C30 | 0.5° | 3.4° |
| C22 | C21 | N2 | C5 | 120.9° | 159.6° |
| C23 | C21 | C22 | O3 | 94.4° | 158.1° |
| C21 | C23 | C24 | C25 | 125.5° | 120.0° |
| C21 | C23 | C24 | H24 | 117.3° | 120.0° |
| C21 | C23 | C25 | H24 | 116.3° | 120.0° |
| C21 | C23 | C24 | H25 | 180.0° | 60.1° |
| C21 | C23 | C24 | H26 | 60.0° | 180.0° |
| C21 | C23 | C24 | H27 | 60.0° | 60.0° |
| C21 | C23 | C25 | H28 | 180.0° | 53.4° |
| C21 | C23 | C25 | H29 | 60.0° | 173.5° |
| C21 | C23 | C25 | H30 | 60.0° | 66.5° |
| C23 | C21 | N2 | C5 | 110.0° | 80.3° |
| C23 | C21 | C22 | N3 | 86.2° | 22.0° |
| H23 | C21 | C22 | O3 | 147.8° | 82.0° |
| H23 | C21 | C23 | C24 | 46.6° | 58.8° |
| H23 | C21 | C23 | C25 | 172.9° | 178.9° |
| H23 | C21 | C23 | H24 | 70.8° | 61.1° |
| H23 | C21 | N2 | C5 | 6.6° | 39.6° |
| H23 | C21 | C22 | N3 | 31.7° | 97.9° |
| O3 | C22 | N3 | C26 | 0.9° | 2.3° |
| O3 | C22 | N3 | C30 | 179.9° | 176.7° |
| C24 | C23 | C25 | H24 | 117.3° | 120.0° |
| C23 | C24 | H25 | H26 | 120.0° | 119.9° |
| C23 | C24 | H25 | H27 | 120.0° | 120.0° |
| C23 | C24 | H26 | H27 | 120.0° | 120.0° |
| C24 | C23 | C25 | H28 | 53.6° | 173.4° |
| C24 | C23 | C25 | H29 | 66.5° | 66.5° |
| C24 | C23 | C25 | H30 | 173.6° | 53.5° |
| C25 | C23 | C24 | H25 | 54.5° | 59.9° |
| C25 | C23 | C24 | H26 | 174.5° | 60.0° |
| C25 | C23 | C24 | H27 | 65.5° | 180.0° |
| C23 | C25 | H28 | H29 | 120.0° | 120.0° |
| C23 | C25 | H28 | H30 | 120.0° | 120.0° |
| C23 | C25 | H29 | H30 | 119.9° | 120.0° |
| H24 | C23 | C24 | H25 | 62.7° | 179.9° |
| H24 | C23 | C24 | H26 | 57.3° | 60.0° |
| H24 | C23 | C24 | H27 | 177.3° | 60.0° |
| H24 | C23 | C25 | H28 | 63.7° | 66.6° |
| H24 | C23 | C25 | H29 | 176.3° | 53.5° |
| H24 | C23 | C25 | H30 | 56.3° | 173.4° |
| H25 | C24 | H26 | H27 | 120.0° | 120.1° |
| H28 | C25 | H29 | H30 | 120.0° | 120.0° |
| C26 | N3 | C30 | C22 | 179.1° | 179.1° |
| N3 | C26 | C27 | C28 | 120.4° | 119.8° |
| N3 | C26 | C27 | H31 | 119.2° | 120.5° |
| N3 | C26 | C28 | H31 | 114.7° | 117.5° |
| N3 | C26 | C27 | O4 | 172.2° | 20.9° |
| N3 | C26 | C28 | C29 | 31.7° | 24.3° |
| N3 | C26 | C28 | H32 | 150.7° | 94.2° |
| N3 | C26 | C28 | H33 | 87.4° | 143.0° |
| C26 | N3 | C30 | C29 | 6.7° | 13.0° |
| C26 | N3 | C30 | H36 | 112.5° | 106.7° |
| C26 | N3 | C30 | H37 | 126.0° | 132.6° |
| N3 | C26 | C27 | N4 | 6.8° | 159.0° |
| C30 | N3 | C26 | C27 | 111.5° | 145.8° |
| C30 | N3 | C26 | C28 | 15.5° | 23.5° |
| C30 | N3 | C26 | H31 | 129.7° | 93.5° |
| N3 | C30 | C29 | C28 | 26.6° | 2.6° |
| N3 | C30 | C29 | H36 | 119.3° | 119.6° |
| N3 | C30 | C29 | H37 | 119.3° | 119.6° |
| N3 | C30 | C29 | H34 | 92.6° | 121.9° |
| N3 | C30 | C29 | H35 | 145.7° | 116.6° |
| N3 | C30 | H36 | H37 | 122.1° | 120.7° |
| C27 | C26 | C28 | H31 | 120.3° | 120.4° |
| C26 | C27 | O4 | N4 | 179.0° | 180.0° |
| C27 | C26 | C28 | C29 | 93.3° | 146.4° |
| C27 | C26 | C28 | H32 | 25.7° | 27.9° |
| C27 | C26 | C28 | H33 | 147.6° | 94.9° |
| C26 | C27 | N4 | C31 | 176.0° | 152.4° |
| C26 | C27 | N4 | H38 | 4.0° | 27.6° |
| C27 | C26 | N3 | C22 | 69.3° | 33.3° |
| C28 | C26 | C27 | O4 | 67.4° | 140.7° |
| C26 | C28 | C29 | H32 | 119.0° | 118.6° |
| C26 | C28 | C29 | H33 | 119.0° | 118.7° |
| C26 | C28 | H32 | H33 | 122.8° | 122.8° |
| C26 | C28 | C29 | C30 | 35.8° | 16.1° |
| C26 | C28 | C29 | H34 | 83.3° | 135.3° |
| C26 | C28 | C29 | H35 | 155.0° | 103.1° |
| C28 | C26 | N3 | C22 | 163.6° | 155.5° |
| C28 | C26 | C27 | N4 | 113.6° | 39.2° |
| H31 | C26 | C27 | O4 | 53.0° | 99.6° |
| H31 | C26 | C28 | C29 | 146.4° | 93.2° |
| H31 | C26 | C28 | H32 | 94.6° | 148.3° |
| H31 | C26 | C28 | H33 | 27.3° | 25.5° |
| H31 | C26 | N3 | C22 | 49.4° | 87.4° |
| H31 | C26 | C27 | N4 | 126.1° | 80.5° |
| O4 | C27 | N4 | C31 | 3.0° | 27.6° |
| O4 | C27 | N4 | H38 | 177.0° | 152.4° |
| C29 | C28 | H32 | H33 | 122.8° | 122.7° |
| C28 | C29 | C30 | H34 | 119.2° | 119.2° |
| C28 | C29 | C30 | H35 | 119.1° | 119.2° |
| C28 | C29 | H34 | H35 | 122.5° | 121.6° |
| C28 | C29 | C30 | H36 | 92.7° | 122.2° |
| C28 | C29 | C30 | H37 | 145.8° | 117.0° |
| H32 | C28 | C29 | C30 | 154.9° | 102.5° |
| H32 | C28 | C29 | H34 | 35.7° | 16.7° |
| H32 | C28 | C29 | H35 | 86.0° | 138.3° |
| H33 | C28 | C29 | C30 | 83.2° | 134.8° |
| H33 | C28 | C29 | H34 | 157.7° | 106.1° |
| H33 | C28 | C29 | H35 | 36.0° | 15.5° |
| C30 | C29 | H34 | H35 | 122.5° | 121.6° |
| C29 | C30 | H36 | H37 | 122.1° | 120.8° |
| C29 | C30 | N3 | C22 | 174.2° | 166.1° |
| H34 | C29 | C30 | H36 | 148.1° | 118.6° |
| H34 | C29 | C30 | H37 | 26.7° | 2.2° |
| H35 | C29 | C30 | H36 | 26.4° | 3.0° |
| H35 | C29 | C30 | H37 | 95.0° | 123.8° |
| H36 | C30 | N3 | C22 | 66.5° | 74.3° |
| H37 | C30 | N3 | C22 | 54.9° | 46.4° |
| C31 | N4 | H38 | C27 | 180.0° | 180.0° |
| N4 | C31 | C32 | C33 | 129.6° | 120.4° |
| N4 | C31 | C32 | H39 | 114.0° | 120.4° |
| N4 | C31 | C33 | H39 | 117.5° | 119.3° |
| N4 | C31 | C32 | O5 | 165.6° | 11.8° |
| N4 | C31 | C33 | O6 | 46.4° | 65.0° |
| N4 | C31 | C33 | C34 | 76.9° | 55.0° |
| N4 | C31 | C33 | H40 | 163.7° | 175.0° |
| N4 | C31 | C32 | N5 | 16.6° | 168.2° |
| H38 | N4 | C31 | C32 | 109.2° | 78.9° |
| H38 | N4 | C31 | C33 | 20.4° | 41.4° |
| H38 | N4 | C31 | H39 | 137.3° | 160.7° |
| C32 | C31 | C33 | H39 | 116.4° | 119.3° |
| C31 | C32 | O5 | N5 | 177.7° | 180.0° |
| C32 | C31 | C33 | O6 | 79.7° | 56.4° |
| C32 | C31 | C33 | C34 | 156.9° | 176.4° |
| C32 | C31 | C33 | H40 | 37.6° | 63.6° |
| C31 | C32 | N5 | C35 | 178.4° | 178.2° |
| C31 | C32 | N5 | H45 | 1.6° | 1.8° |
| C32 | C31 | N4 | C27 | 70.8° | 101.0° |
| C33 | C31 | C32 | O5 | 64.8° | 108.6° |
| C31 | C33 | O6 | C34 | 125.8° | 119.9° |
| C31 | C33 | O6 | H40 | 116.3° | 120.0° |
| C31 | C33 | C34 | H40 | 119.3° | 120.0° |
| C31 | C33 | O6 | H41 | 180.0° | 180.0° |
| C31 | C33 | C34 | H42 | 180.0° | 180.0° |
| C31 | C33 | C34 | H43 | 60.0° | 60.0° |
| C31 | C33 | C34 | H44 | 60.0° | 60.0° |
| C33 | C31 | N4 | C27 | 159.7° | 138.6° |
| C33 | C31 | C32 | N5 | 113.1° | 71.4° |
| H39 | C31 | C32 | O5 | 51.5° | 132.1° |
| H39 | C31 | C33 | O6 | 163.9° | 175.7° |
| H39 | C31 | C33 | C34 | 40.5° | 64.4° |
| H39 | C31 | C33 | H40 | 78.8° | 55.7° |
| H39 | C31 | N4 | C27 | 42.7° | 19.3° |
| H39 | C31 | C32 | N5 | 130.6° | 47.9° |
| O5 | C32 | N5 | C35 | 3.8° | 1.8° |
| O5 | C32 | N5 | H45 | 176.2° | 178.2° |
| O6 | C33 | C34 | H40 | 118.9° | 120.0° |
| O6 | C33 | C34 | H42 | 58.2° | 60.0° |
| O6 | C33 | C34 | H43 | 178.2° | 180.0° |
| O6 | C33 | C34 | H44 | 61.8° | 60.0° |
| C34 | C33 | O6 | H41 | 54.2° | 60.0° |
| C33 | C34 | H42 | H43 | 120.0° | 120.0° |
| C33 | C34 | H42 | H44 | 120.0° | 120.0° |
| C33 | C34 | H43 | H44 | 120.0° | 120.0° |
| H40 | C33 | O6 | H41 | 63.7° | 60.0° |
| H40 | C33 | C34 | H42 | 60.7° | 60.0° |
| H40 | C33 | C34 | H43 | 59.3° | 60.0° |
| H40 | C33 | C34 | H44 | 179.3° | 180.0° |
| H42 | C34 | H43 | H44 | 120.0° | 120.0° |
| C35 | N5 | H45 | C32 | 180.0° | 180.0° |
| N5 | C35 | C36 | C37 | 125.1° | 119.7° |
| N5 | C35 | C36 | H46 | 115.3° | 119.7° |
| N5 | C35 | C37 | H46 | 120.9° | 120.8° |
| N5 | C35 | C36 | O7 | 61.2° | 1.2° |
| N5 | C35 | C37 | O8 | 56.8° | 174.4° |
| N5 | C35 | C37 | C38 | 178.7° | 54.3° |
| N5 | C35 | C37 | H47 | 62.6° | 65.7° |
| N5 | C35 | C36 | N6 | 116.3° | 178.8° |
| H45 | N5 | C35 | C36 | 84.5° | 13.7° |
| H45 | N5 | C35 | C37 | 40.3° | 133.4° |
| H45 | N5 | C35 | H46 | 160.7° | 105.9° |
| C36 | C35 | C37 | H46 | 119.6° | 120.7° |
| C35 | C36 | O7 | N6 | 177.6° | 180.0° |
| C36 | C35 | C37 | O8 | 176.2° | 55.8° |
| C36 | C35 | C37 | C38 | 61.8° | 64.3° |
| C36 | C35 | C37 | H47 | 56.9° | 175.8° |
| C35 | C36 | N6 | C39 | 178.0° | 178.5° |
| C35 | C36 | N6 | H52 | 2.0° | 1.4° |
| C36 | C35 | N5 | C32 | 95.4° | 166.3° |
| C37 | C35 | C36 | O7 | 63.9° | 118.5° |
| C35 | C37 | O8 | C38 | 123.7° | 120.0° |
| C35 | C37 | O8 | H47 | 118.3° | 120.0° |
| C35 | C37 | C38 | H47 | 118.7° | 119.9° |
| C35 | C37 | O8 | H48 | 180.0° | 179.9° |
| C35 | C37 | C38 | H49 | 180.0° | 175.0° |
| C35 | C37 | C38 | H50 | 60.0° | 55.0° |
| C35 | C37 | C38 | H51 | 60.0° | 65.1° |
| C37 | C35 | N5 | C32 | 139.7° | 46.6° |
| C37 | C35 | C36 | N6 | 118.6° | 61.5° |
| H46 | C35 | C36 | O7 | 176.5° | 120.8° |
| H46 | C35 | C37 | O8 | 64.1° | 64.9° |
| H46 | C35 | C37 | C38 | 57.8° | 175.1° |
| H46 | C35 | C37 | H47 | 176.5° | 55.1° |
| H46 | C35 | N5 | C32 | 19.3° | 74.1° |
| H46 | C35 | C36 | N6 | 1.0° | 59.2° |
| O7 | C36 | N6 | C39 | 0.5° | 1.5° |
| O7 | C36 | N6 | H52 | 179.5° | 178.6° |
| O8 | C37 | C38 | H47 | 119.0° | 120.0° |
| O8 | C37 | C38 | H49 | 57.8° | 65.0° |
| O8 | C37 | C38 | H50 | 177.8° | 175.0° |
| O8 | C37 | C38 | H51 | 62.3° | 55.0° |
| C38 | C37 | O8 | H48 | 56.3° | 59.9° |
| C37 | C38 | H49 | H50 | 120.0° | 120.1° |
| C37 | C38 | H49 | H51 | 120.0° | 120.0° |
| C37 | C38 | H50 | H51 | 119.9° | 120.0° |
| H47 | C37 | O8 | H48 | 61.7° | 60.1° |
| H47 | C37 | C38 | H49 | 61.2° | 55.1° |
| H47 | C37 | C38 | H50 | 58.8° | 65.0° |
| H47 | C37 | C38 | H51 | 178.7° | 175.0° |
| H49 | C38 | H50 | H51 | 120.0° | 119.9° |
| C39 | N6 | H52 | C36 | 180.0° | 179.9° |
| N6 | C39 | C40 | C41 | 118.3° | 119.8° |
| N6 | C39 | C40 | H53 | 120.2° | 119.9° |
| N6 | C39 | C41 | H53 | 119.4° | 120.3° |
| N6 | C39 | C40 | O9 | 41.7° | 9.1° |
| N6 | C39 | C41 | C42 | 179.2° | 65.0° |
| N6 | C39 | C41 | H54 | 58.2° | 55.0° |
| N6 | C39 | C41 | H55 | 59.8° | 175.0° |
| N6 | C39 | C40 | N7 | 136.7° | 170.8° |
| H52 | N6 | C39 | C40 | 94.6° | 61.1° |
| H52 | N6 | C39 | C41 | 27.4° | 58.6° |
| H52 | N6 | C39 | H53 | 146.0° | 179.0° |
| C40 | C39 | C41 | H53 | 121.4° | 120.3° |
| C39 | C40 | O9 | N7 | 178.3° | 179.9° |
| C40 | C39 | C41 | C42 | 61.6° | 175.7° |
| C40 | C39 | C41 | H54 | 177.4° | 64.3° |
| C40 | C39 | C41 | H55 | 59.4° | 55.7° |
| C39 | C40 | N7 | C48 | 179.9° | 4.5° |
| C39 | C40 | N7 | C49 | 0.3° | 175.4° |
| C40 | C39 | N6 | C36 | 85.4° | 118.8° |
| C41 | C39 | C40 | O9 | 76.6° | 110.6° |
| C39 | C41 | C42 | H54 | 121.0° | 120.0° |
| C39 | C41 | C42 | H55 | 121.0° | 120.0° |
| C39 | C41 | H54 | H55 | 116.9° | 120.0° |
| C39 | C41 | C42 | C43 | 80.3° | 90.0° |
| C39 | C41 | C42 | C44 | 100.6° | 90.3° |
| C41 | C39 | N6 | C36 | 152.6° | 121.4° |
| C41 | C39 | C40 | N7 | 105.0° | 69.4° |
| H53 | C39 | C40 | O9 | 161.9° | 129.0° |
| H53 | C39 | C41 | C42 | 59.8° | 55.4° |
| H53 | C39 | C41 | H54 | 61.1° | 175.3° |
| H53 | C39 | C41 | H55 | 179.2° | 64.7° |
| H53 | C39 | N6 | C36 | 34.0° | 1.1° |
| H53 | C39 | C40 | N7 | 16.5° | 50.9° |
| O9 | C40 | N7 | C48 | 1.6° | 175.4° |
| O9 | C40 | N7 | C49 | 178.7° | 4.7° |
| C42 | C41 | H54 | H55 | 116.9° | 120.0° |
| C41 | C42 | C43 | C44 | 179.1° | 179.8° |
| C41 | C42 | C43 | C45 | 179.8° | 179.9° |
| C41 | C42 | C43 | H56 | 0.2° | 0.0° |
| C41 | C42 | C44 | C46 | 179.7° | 180.0° |
| C41 | C42 | C44 | H57 | 0.3° | 0.1° |
| H54 | C41 | C42 | C43 | 40.6° | 30.0° |
| H54 | C41 | C42 | C44 | 138.5° | 149.7° |
| H55 | C41 | C42 | C43 | 158.7° | 150.0° |
| H55 | C41 | C42 | C44 | 20.4° | 29.8° |
| C42 | C43 | C45 | H56 | 180.0° | 179.9° |
| C43 | C42 | C44 | C46 | 0.6° | 0.3° |
| C43 | C42 | C44 | H57 | 179.4° | 179.7° |
| C42 | C43 | C45 | C47 | 1.1° | 0.1° |
| C42 | C43 | C45 | H58 | 178.9° | 180.0° |
| C44 | C42 | C43 | C45 | 1.1° | 0.3° |
| C44 | C42 | C43 | H56 | 178.9° | 179.8° |
| C42 | C44 | C46 | H57 | 180.0° | 180.0° |
| C42 | C44 | C46 | C47 | 0.2° | 0.0° |
| C42 | C44 | C46 | H59 | 179.8° | 179.9° |
| C43 | C45 | C47 | H58 | 180.0° | 179.9° |
| C43 | C45 | C47 | C46 | 0.7° | 0.2° |
| C43 | C45 | C47 | H60 | 179.3° | 179.9° |
| H56 | C43 | C45 | C47 | 178.9° | 180.0° |
| H56 | C43 | C45 | H58 | 1.1° | 0.1° |
| C44 | C46 | C47 | C45 | 0.3° | 0.2° |
| C44 | C46 | C47 | H59 | 180.0° | 179.9° |
| C44 | C46 | C47 | H60 | 179.7° | 180.0° |
| H57 | C44 | C46 | C47 | 179.8° | 180.0° |
| H57 | C44 | C46 | H59 | 0.2° | 0.0° |
| C45 | C47 | C46 | H60 | 180.0° | 179.8° |
| C45 | C47 | C46 | H59 | 179.7° | 179.7° |
| H58 | C45 | C47 | C46 | 179.3° | 179.7° |
| H58 | C45 | C47 | H60 | 0.7° | 0.0° |
| H59 | C46 | C47 | H60 | 0.3° | 0.0° |
| C48 | N7 | C49 | C40 | 179.7° | 179.9° |
| N7 | C48 | H61 | H62 | 120.0° | 120.0° |
| N7 | C48 | H61 | H63 | 120.0° | 120.0° |
| N7 | C48 | H62 | H63 | 120.0° | 120.0° |
| C48 | N7 | C49 | C50 | 65.4° | 166.5° |
| C48 | N7 | C49 | C51 | 60.4° | 73.8° |
| C48 | N7 | C49 | H64 | 176.0° | 46.2° |
| C49 | N7 | C48 | H61 | 180.0° | 180.0° |
| C49 | N7 | C48 | H62 | 60.0° | 60.0° |
| C49 | N7 | C48 | H63 | 60.0° | 60.1° |
| N7 | C49 | C50 | C51 | 121.7° | 119.1° |
| N7 | C49 | C50 | H64 | 119.0° | 120.4° |
| N7 | C49 | C51 | H64 | 116.0° | 119.9° |
| N7 | C49 | C50 | H65 | 180.0° | 74.0° |
| N7 | C49 | C50 | H66 | 60.0° | 165.9° |
| N7 | C49 | C50 | H67 | 60.0° | 45.9° |
| N7 | C49 | C51 | O10 | 125.7° | 18.2° |
| N7 | C49 | C51 | N8 | 52.6° | 161.9° |
| H61 | C48 | H62 | H63 | 119.9° | 120.0° |
| H61 | C48 | N7 | C40 | 0.2° | 0.1° |
| H62 | C48 | N7 | C40 | 120.3° | 120.0° |
| H63 | C48 | N7 | C40 | 119.8° | 120.0° |
| C50 | C49 | C51 | H64 | 119.2° | 120.4° |
| C49 | C50 | H65 | H66 | 120.0° | 120.1° |
| C49 | C50 | H65 | H67 | 120.0° | 120.0° |
| C49 | C50 | H66 | H67 | 120.0° | 120.0° |
| C50 | C49 | C51 | O10 | 0.9° | 137.9° |
| C50 | C49 | N7 | C40 | 114.3° | 13.4° |
| C50 | C49 | C51 | N8 | 177.4° | 42.2° |
| C51 | C49 | C50 | H65 | 58.3° | 45.0° |
| C51 | C49 | C50 | H66 | 178.3° | 75.0° |
| C51 | C49 | C50 | H67 | 61.7° | 165.0° |
| C49 | C51 | O10 | N8 | 178.2° | 179.9° |
| C49 | C51 | N8 | C52 | 176.0° | 179.8° |
| C49 | C51 | N8 | H68 | 4.0° | 0.3° |
| C51 | C49 | N7 | C40 | 119.8° | 106.3° |
| H64 | C49 | C50 | H65 | 61.0° | 165.6° |
| H64 | C49 | C50 | H66 | 59.0° | 45.6° |
| H64 | C49 | C50 | H67 | 179.0° | 74.4° |
| H64 | C49 | C51 | O10 | 118.3° | 101.7° |
| H64 | C49 | N7 | C40 | 4.2° | 133.7° |
| H64 | C49 | C51 | N8 | 63.4° | 78.2° |
| H65 | C50 | H66 | H67 | 120.0° | 120.0° |
| O10 | C51 | N8 | C52 | 2.3° | 0.1° |
| O10 | C51 | N8 | H68 | 177.7° | 179.8° |
| C52 | N8 | H68 | C51 | 180.0° | 179.9° |
| N8 | C52 | C53 | C54 | 117.4° | 120.1° |
| N8 | C52 | C53 | H69 | 121.2° | 119.9° |
| N8 | C52 | C54 | H69 | 119.0° | 120.1° |
| N8 | C52 | C53 | O11 | 35.9° | 65.4° |
| N8 | C52 | C54 | S3 | 52.6° | 143.5° |
| N8 | C52 | C54 | H70 | 68.2° | 96.5° |
| N8 | C52 | C54 | H71 | 173.5° | 23.6° |
| N8 | C52 | C53 | N9 | 143.0° | 114.7° |
| H68 | N8 | C52 | C53 | 103.5° | 168.9° |
| H68 | N8 | C52 | C54 | 17.9° | 48.9° |
| H68 | N8 | C52 | H69 | 136.0° | 71.2° |
| C53 | C52 | C54 | H69 | 121.5° | 119.9° |
| C52 | C53 | O11 | N9 | 178.9° | 179.9° |
| C53 | C52 | C54 | S3 | 172.1° | 23.5° |
| C53 | C52 | C54 | H70 | 51.3° | 143.6° |
| C53 | C52 | C54 | H71 | 67.0° | 96.4° |
| C52 | C53 | N9 | C55 | 178.8° | 175.0° |
| C52 | C53 | N9 | C60 | 0.4° | 4.7° |
| C53 | C52 | N8 | C51 | 76.5° | 11.1° |
| C54 | C52 | C53 | O11 | 81.4° | 54.7° |
| C52 | C54 | S3 | H70 | 120.9° | 120.1° |
| C52 | C54 | S3 | H71 | 120.9° | 120.1° |
| C52 | C54 | H70 | H71 | 117.3° | 120.0° |
| C52 | C54 | S3 | S2 | 49.9° | 169.2° |
| C54 | C52 | N8 | C51 | 162.1° | 131.0° |
| C54 | C52 | C53 | N9 | 99.6° | 125.2° |
| H69 | C52 | C53 | O11 | 157.1° | 174.7° |
| H69 | C52 | C54 | S3 | 66.4° | 96.4° |
| H69 | C52 | C54 | H70 | 172.7° | 23.6° |
| H69 | C52 | C54 | H71 | 54.5° | 143.7° |
| H69 | C52 | N8 | C51 | 44.0° | 108.9° |
| H69 | C52 | C53 | N9 | 21.8° | 5.2° |
| O11 | C53 | N9 | C55 | 0.1° | 5.1° |
| O11 | C53 | N9 | C60 | 178.6° | 175.2° |
| S3 | C54 | H70 | H71 | 117.3° | 119.7° |
| H70 | C54 | S3 | S2 | 170.8° | 49.1° |
| H71 | C54 | S3 | S2 | 70.9° | 70.7° |
| C55 | N9 | C60 | C53 | 178.6° | 179.8° |
| N9 | C55 | C56 | H72 | 119.3° | 119.9° |
| N9 | C55 | C56 | H73 | 119.3° | 119.8° |
| N9 | C55 | H72 | H73 | 122.1° | 120.4° |
| N9 | C55 | C56 | C57 | 58.4° | 54.7° |
| N9 | C55 | C56 | H74 | 178.8° | 174.6° |
| N9 | C55 | C56 | H75 | 61.9° | 65.3° |
| C55 | N9 | C60 | C59 | 69.6° | 53.3° |
| C55 | N9 | C60 | H80 | 170.7° | 173.1° |
| C55 | N9 | C60 | H81 | 50.0° | 66.4° |
| C60 | N9 | C55 | C56 | 74.4° | 53.4° |
| C60 | N9 | C55 | H72 | 44.8° | 66.4° |
| C60 | N9 | C55 | H73 | 166.3° | 173.2° |
| N9 | C60 | C59 | C57 | 48.9° | 54.4° |
| N9 | C60 | C59 | H80 | 119.6° | 119.9° |
| N9 | C60 | C59 | H81 | 119.6° | 119.8° |
| N9 | C60 | C59 | H78 | 169.5° | 174.5° |
| N9 | C60 | C59 | H79 | 71.7° | 65.6° |
| N9 | C60 | H80 | H81 | 121.1° | 120.4° |
| C56 | C55 | H72 | H73 | 122.1° | 120.3° |
| C55 | C56 | C57 | H74 | 120.3° | 120.0° |
| C55 | C56 | C57 | H75 | 120.3° | 119.9° |
| C55 | C56 | H74 | H75 | 119.0° | 120.1° |
| C55 | C56 | C57 | C58 | 169.9° | 178.6° |
| C55 | C56 | C57 | C59 | 42.9° | 61.3° |
| C55 | C56 | C57 | H76 | 74.8° | 58.7° |
| C56 | C55 | N9 | C53 | 104.1° | 126.3° |
| H72 | C55 | C56 | C57 | 60.8° | 65.2° |
| H72 | C55 | C56 | H74 | 59.5° | 54.7° |
| H72 | C55 | C56 | H75 | 178.9° | 174.8° |
| H72 | C55 | N9 | C53 | 136.6° | 113.8° |
| H73 | C55 | C56 | C57 | 177.7° | 174.4° |
| H73 | C55 | C56 | H74 | 61.9° | 65.6° |
| H73 | C55 | C56 | H75 | 57.4° | 54.5° |
| H73 | C55 | N9 | C53 | 15.1° | 6.6° |
| C57 | C56 | H74 | H75 | 119.0° | 120.1° |
| C56 | C57 | C58 | C59 | 127.0° | 120.1° |
| C56 | C57 | C58 | H76 | 115.2° | 120.0° |
| C56 | C57 | C59 | H76 | 117.9° | 120.0° |
| C56 | C57 | C58 | O12 | 166.0° | 0.0° |
| C56 | C57 | C58 | O13 | 13.2° | 180.0° |
| C56 | C57 | C59 | C60 | 38.3° | 61.2° |
| C56 | C57 | C59 | H78 | 158.9° | 178.7° |
| C56 | C57 | C59 | H79 | 82.3° | 58.6° |
| H74 | C56 | C57 | C58 | 69.7° | 58.7° |
| H74 | C56 | C57 | C59 | 163.3° | 178.7° |
| H74 | C56 | C57 | H76 | 45.5° | 61.3° |
| H75 | C56 | C57 | C58 | 49.6° | 61.4° |
| H75 | C56 | C57 | C59 | 77.4° | 58.6° |
| H75 | C56 | C57 | H76 | 164.8° | 178.6° |
| C58 | C57 | C59 | H76 | 117.9° | 120.0° |
| C57 | C58 | O12 | O13 | 179.1° | 180.0° |
| C57 | C58 | O13 | H77 | 179.2° | 180.0° |
| C58 | C57 | C59 | C60 | 162.5° | 178.8° |
| C58 | C57 | C59 | H78 | 76.9° | 58.6° |
| C58 | C57 | C59 | H79 | 41.9° | 61.4° |
| C59 | C57 | C58 | O12 | 67.1° | 120.1° |
| C59 | C57 | C58 | O13 | 113.7° | 59.9° |
| C57 | C59 | C60 | H78 | 120.6° | 120.1° |
| C57 | C59 | C60 | H79 | 120.6° | 119.9° |
| C57 | C59 | H78 | H79 | 118.1° | 120.1° |
| C57 | C59 | C60 | H80 | 168.6° | 174.3° |
| C57 | C59 | C60 | H81 | 70.7° | 65.4° |
| H76 | C57 | C58 | O12 | 50.8° | 120.0° |
| H76 | C57 | C58 | O13 | 128.5° | 60.0° |
| H76 | C57 | C59 | C60 | 79.6° | 58.8° |
| H76 | C57 | C59 | H78 | 41.1° | 61.3° |
| H76 | C57 | C59 | H79 | 159.8° | 178.6° |
| O12 | C58 | O13 | H77 | 0.0° | 0.0° |
| C60 | C59 | H78 | H79 | 118.1° | 119.9° |
| C59 | C60 | H80 | H81 | 121.1° | 120.1° |
| C59 | C60 | N9 | C53 | 109.0° | 126.4° |
| H78 | C59 | C60 | H80 | 70.8° | 65.7° |
| H78 | C59 | C60 | H81 | 49.9° | 54.7° |
| H79 | C59 | C60 | H80 | 47.9° | 54.3° |
| H79 | C59 | C60 | H81 | 168.7° | 174.7° |
| H80 | C60 | N9 | C53 | 10.6° | 6.6° |
| H81 | C60 | N9 | C53 | 131.4° | 113.9° |
