PRD_002534
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | S1 | sing | 1.81Å | 1.81Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | S1 | sing | 1.81Å | 1.81Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| 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 | |
| N1 | C5 | sing | 1.47Å | 1.46Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C5 | C7 | sing | 1.53Å | 1.54Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | O2 | doub | 1.21Å | 1.23Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| N2 | C14 | sing | 1.47Å | 1.48Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.55Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | O3 | doub | 1.21Å | 1.23Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | C18 | sing | 1.53Å | 1.55Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| N3 | C19 | sing | 1.46Å | 1.46Å | |
| N3 | H26 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | O4 | doub | 1.21Å | 1.23Å | |
| N4 | C21 | sing | 1.48Å | 1.46Å | |
| N4 | H28 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C21 | C23 | sing | 1.53Å | 1.54Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | O5 | doub | 1.21Å | 1.24Å | |
| C23 | O6 | sing | 1.43Å | 1.42Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| O6 | H31 | sing | 0.97Å | 0.95Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| N5 | C25 | sing | 1.48Å | 1.45Å | |
| N5 | H35 | sing | 0.97Å | 1.00Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.55Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | O7 | doub | 1.21Å | 1.23Å | |
| C27 | O8 | sing | 1.43Å | 1.42Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| O8 | H38 | sing | 0.97Å | 0.95Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| N6 | C29 | sing | 1.48Å | 1.47Å | |
| N6 | H42 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.51Å | 1.55Å | |
| C29 | C31 | sing | 1.53Å | 1.55Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | O9 | doub | 1.21Å | 1.24Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
| C32 | C34 | sing | 1.38Å | 1.42Å | Aromatic |
| C33 | C35 | sing | 1.38Å | 1.43Å | Aromatic |
| C33 | H46 | sing | 1.08Å | 1.08Å | |
| C34 | C36 | doub | 1.38Å | 1.42Å | Aromatic |
| C34 | H47 | sing | 1.08Å | 1.08Å | |
| C35 | C37 | doub | 1.38Å | 1.41Å | Aromatic |
| C35 | H48 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | sing | 1.38Å | 1.41Å | Aromatic |
| C36 | H49 | sing | 1.08Å | 1.08Å | |
| C37 | H50 | sing | 1.08Å | 1.08Å | |
| N7 | C38 | sing | 1.46Å | 1.48Å | |
| N7 | C39 | sing | 1.48Å | 1.47Å | |
| C38 | H51 | sing | 1.09Å | 1.10Å | |
| C38 | H52 | sing | 1.09Å | 1.10Å | |
| C38 | H53 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.55Å | |
| C39 | C41 | sing | 1.51Å | 1.53Å | |
| C39 | H54 | sing | 1.09Å | 1.10Å | |
| C40 | H55 | sing | 1.09Å | 1.10Å | |
| C40 | H56 | sing | 1.09Å | 1.10Å | |
| C40 | H57 | sing | 1.09Å | 1.10Å | |
| C41 | O10 | doub | 1.21Å | 1.23Å | |
| N8 | C42 | sing | 1.48Å | 1.46Å | |
| N8 | H58 | sing | 0.97Å | 1.00Å | |
| C42 | C43 | sing | 1.51Å | 1.53Å | |
| C42 | C44 | sing | 1.53Å | 1.55Å | |
| C42 | H59 | sing | 1.09Å | 1.10Å | |
| C43 | O11 | doub | 1.21Å | 1.24Å | |
| C44 | C45 | sing | 1.51Å | 1.51Å | |
| C44 | H60 | sing | 1.09Å | 1.10Å | |
| C44 | H61 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | doub | 1.38Å | 1.41Å | Aromatic |
| C45 | C50 | sing | 1.38Å | 1.40Å | Aromatic |
| C46 | C47 | sing | 1.38Å | 1.40Å | Aromatic |
| C46 | H62 | sing | 1.08Å | 1.08Å | |
| C47 | C48 | doub | 1.39Å | 1.41Å | Aromatic |
| C47 | H63 | sing | 1.08Å | 1.08Å | |
| C48 | C49 | sing | 1.39Å | 1.41Å | Aromatic |
| C48 | C55 | sing | 1.48Å | 1.47Å | Aromatic |
| C49 | C50 | doub | 1.38Å | 1.41Å | Aromatic |
| C49 | H64 | sing | 1.08Å | 1.08Å | |
| C50 | H65 | sing | 1.08Å | 1.08Å | |
| C51 | C52 | doub | 1.38Å | 1.41Å | Aromatic |
| C51 | C56 | sing | 1.38Å | 1.41Å | Aromatic |
| C51 | H66 | sing | 1.08Å | 1.08Å | |
| C52 | C53 | sing | 1.38Å | 1.41Å | Aromatic |
| C52 | H67 | sing | 1.08Å | 1.08Å | |
| C53 | C54 | doub | 1.38Å | 1.41Å | Aromatic |
| C53 | H68 | sing | 1.08Å | 1.08Å | |
| C54 | C55 | sing | 1.39Å | 1.41Å | Aromatic |
| C54 | H69 | sing | 1.08Å | 1.08Å | |
| C55 | C56 | doub | 1.39Å | 1.41Å | Aromatic |
| C56 | H70 | sing | 1.08Å | 1.08Å | |
| C57 | N9 | sing | 1.47Å | 1.48Å | |
| N9 | C58 | sing | 1.48Å | 1.46Å | |
| C60 | C58 | sing | 1.53Å | 1.55Å | |
| C60 | C61 | sing | 1.53Å | 1.54Å | |
| C58 | C59 | sing | 1.51Å | 1.54Å | |
| O13 | C62 | doub | 1.21Å | 1.24Å | |
| O12 | C59 | doub | 1.21Å | 1.24Å | |
| C62 | C61 | sing | 1.51Å | 1.53Å | |
| C62 | O14 | sing | 1.34Å | 1.36Å | |
| C57 | H71 | sing | 1.09Å | 1.10Å | |
| C57 | H72 | sing | 1.09Å | 1.10Å | |
| C57 | H73 | sing | 1.09Å | 1.10Å | |
| C58 | H74 | sing | 1.09Å | 1.10Å | |
| C60 | H75 | sing | 1.09Å | 1.10Å | |
| C60 | H76 | sing | 1.09Å | 1.10Å | |
| C61 | H77 | sing | 1.09Å | 1.10Å | |
| C61 | H78 | sing | 1.09Å | 1.10Å | |
| O14 | H79 | sing | 0.97Å | 0.95Å | |
| N10 | C63 | sing | 1.48Å | 1.46Å | |
| C63 | C64 | sing | 1.53Å | 1.54Å | |
| C63 | H80 | sing | 1.09Å | 1.10Å | |
| C63 | H81 | sing | 1.09Å | 1.10Å | |
| C64 | H82 | sing | 1.09Å | 1.10Å | |
| C64 | H83 | sing | 1.09Å | 1.10Å | |
| H84 | N10 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C6 | N2 | sing | 1.35Å | 1.34Å | |
| C15 | N3 | sing | 1.35Å | 1.33Å | |
| C19 | C64 | sing | 1.53Å | 1.54Å | |
| C20 | N4 | sing | 1.37Å | 1.34Å | |
| C22 | N5 | sing | 1.36Å | 1.33Å | |
| C26 | N6 | sing | 1.37Å | 1.32Å | |
| C30 | N7 | sing | 1.36Å | 1.35Å | |
| C41 | N8 | sing | 1.37Å | 1.33Å | |
| C43 | N9 | sing | 1.36Å | 1.35Å | |
| C59 | N10 | sing | 1.37Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | S1 | 115.1° | 109.5° |
| C4 | C3 | H3 | 108.0° | 109.4° |
| C4 | C3 | H4 | 108.0° | 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 | 98.7° | 103.0° |
| S1 | C3 | H3 | 108.1° | 109.5° |
| S1 | C3 | H4 | 108.1° | 109.5° |
| C1 | C2 | S1 | 114.0° | 109.5° |
| C2 | C1 | O1 | 119.7° | 120.0° |
| C1 | C2 | H1 | 108.3° | 109.5° |
| C1 | C2 | H2 | 108.4° | 109.5° |
| C2 | C1 | N1 | 117.8° | 120.0° |
| S1 | C2 | H1 | 108.3° | 109.5° |
| S1 | C2 | H2 | 108.3° | 109.4° |
| O1 | C1 | N1 | 122.4° | 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 | 109.4° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| C5 | N1 | H8 | 117.8° | 120.1° |
| N1 | C5 | C6 | 101.5° | 109.5° |
| N1 | C5 | C7 | 110.9° | 109.5° |
| N1 | C5 | H9 | 111.9° | 109.5° |
| C5 | N1 | C1 | 124.4° | 120.0° |
| H8 | N1 | C1 | 117.8° | 120.0° |
| C6 | C5 | C7 | 110.5° | 109.5° |
| C6 | C5 | H9 | 110.9° | 109.4° |
| C5 | C6 | O2 | 119.6° | 120.0° |
| C5 | C6 | N2 | 118.5° | 120.0° |
| C7 | C5 | H9 | 110.8° | 109.5° |
| C5 | C7 | C8 | 112.5° | 109.4° |
| C5 | C7 | H10 | 108.7° | 109.4° |
| C5 | C7 | H11 | 108.7° | 109.5° |
| O2 | C6 | N2 | 121.8° | 120.0° |
| C8 | C7 | H10 | 108.7° | 109.5° |
| C8 | C7 | H11 | 108.7° | 109.5° |
| C7 | C8 | C9 | 120.6° | 120.0° |
| C7 | C8 | C10 | 118.9° | 120.0° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| C9 | C8 | C10 | 120.6° | 120.0° |
| C8 | C9 | C11 | 119.3° | 120.0° |
| C8 | C9 | H12 | 120.3° | 120.0° |
| C8 | C10 | C12 | 119.7° | 120.0° |
| C8 | C10 | H13 | 120.1° | 120.0° |
| C11 | C9 | H12 | 120.3° | 120.0° |
| C9 | C11 | C13 | 120.5° | 120.0° |
| C9 | C11 | H14 | 119.8° | 120.0° |
| C12 | C10 | H13 | 120.2° | 120.0° |
| C10 | C12 | C13 | 120.1° | 120.0° |
| C10 | C12 | H15 | 119.9° | 120.0° |
| C13 | C11 | H14 | 119.8° | 120.0° |
| C11 | C13 | C12 | 119.8° | 120.0° |
| C11 | C13 | H16 | 120.1° | 120.0° |
| C13 | C12 | H15 | 120.0° | 120.0° |
| C12 | C13 | H16 | 120.1° | 120.0° |
| C14 | N2 | H17 | 117.3° | 120.0° |
| N2 | C14 | C15 | 114.0° | 109.5° |
| N2 | C14 | C16 | 109.8° | 109.5° |
| N2 | C14 | H18 | 105.3° | 109.5° |
| C14 | N2 | C6 | 125.4° | 120.0° |
| H17 | N2 | C6 | 117.3° | 120.0° |
| C15 | C14 | C16 | 117.1° | 109.5° |
| C15 | C14 | H18 | 104.8° | 109.4° |
| C14 | C15 | O3 | 120.0° | 120.0° |
| C14 | C15 | N3 | 116.0° | 120.0° |
| C16 | C14 | H18 | 104.6° | 109.5° |
| C14 | C16 | C17 | 114.9° | 109.5° |
| C14 | C16 | C18 | 112.8° | 109.5° |
| C14 | C16 | H19 | 105.3° | 109.4° |
| O3 | C15 | N3 | 124.0° | 120.0° |
| C17 | C16 | C18 | 112.0° | 109.5° |
| C17 | C16 | H19 | 105.5° | 109.5° |
| C16 | C17 | H20 | 109.5° | 109.5° |
| C16 | C17 | H21 | 109.5° | 109.5° |
| C16 | C17 | H22 | 109.4° | 109.4° |
| C18 | C16 | H19 | 105.3° | 109.5° |
| C16 | C18 | H23 | 109.5° | 109.5° |
| C16 | C18 | H24 | 109.5° | 109.5° |
| C16 | C18 | H25 | 109.5° | 109.4° |
| H20 | C17 | H21 | 109.5° | 109.5° |
| H20 | C17 | H22 | 109.5° | 109.5° |
| H21 | C17 | H22 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.4° | 109.5° |
| H23 | C18 | H25 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| C19 | N3 | H26 | 116.8° | 120.0° |
| N3 | C19 | C20 | 112.1° | 109.5° |
| N3 | C19 | H27 | 108.4° | 109.5° |
| C19 | N3 | C15 | 126.4° | 120.0° |
| N3 | C19 | C64 | 111.9° | 109.5° |
| H26 | N3 | C15 | 116.8° | 120.0° |
| C20 | C19 | H27 | 107.6° | 109.4° |
| C19 | C20 | O4 | 118.1° | 120.7° |
| C20 | C19 | C64 | 109.2° | 109.6° |
| C19 | C20 | N4 | 120.2° | 118.7° |
| H27 | C19 | C64 | 107.4° | 109.4° |
| O4 | C20 | N4 | 121.6° | 120.6° |
| C21 | N4 | H28 | 117.9° | 122.3° |
| N4 | C21 | C22 | 111.1° | 108.7° |
| N4 | C21 | C23 | 113.1° | 109.6° |
| N4 | C21 | H29 | 106.8° | 109.6° |
| C21 | N4 | C20 | 124.2° | 115.4° |
| H28 | N4 | C20 | 117.9° | 122.3° |
| C22 | C21 | C23 | 113.2° | 109.6° |
| C22 | C21 | H29 | 106.1° | 109.6° |
| C21 | C22 | O5 | 120.9° | 120.5° |
| C21 | C22 | N5 | 115.9° | 119.0° |
| C23 | C21 | H29 | 106.0° | 109.7° |
| C21 | C23 | O6 | 107.9° | 109.5° |
| C21 | C23 | C24 | 113.9° | 109.5° |
| C21 | C23 | H30 | 107.3° | 109.5° |
| O5 | C22 | N5 | 123.2° | 120.5° |
| O6 | C23 | C24 | 111.4° | 109.5° |
| O6 | C23 | H30 | 108.9° | 109.5° |
| C23 | O6 | H31 | 109.5° | 114.0° |
| C24 | C23 | H30 | 107.3° | 109.4° |
| C23 | C24 | H32 | 109.5° | 109.4° |
| C23 | C24 | H33 | 109.4° | 109.5° |
| C23 | C24 | H34 | 109.5° | 109.4° |
| H32 | C24 | H33 | 109.5° | 109.4° |
| H32 | C24 | H34 | 109.5° | 109.5° |
| H33 | C24 | H34 | 109.4° | 109.5° |
| C25 | N5 | H35 | 116.8° | 121.7° |
| N5 | C25 | C26 | 105.9° | 108.9° |
| N5 | C25 | C27 | 115.5° | 109.6° |
| N5 | C25 | H36 | 106.9° | 109.6° |
| C25 | N5 | C22 | 126.4° | 116.6° |
| H35 | N5 | C22 | 116.8° | 121.7° |
| C26 | C25 | C27 | 115.8° | 109.6° |
| C26 | C25 | H36 | 106.1° | 109.6° |
| C25 | C26 | O7 | 119.1° | 120.6° |
| C25 | C26 | N6 | 119.7° | 118.8° |
| C27 | C25 | H36 | 105.9° | 109.7° |
| C25 | C27 | O8 | 112.2° | 109.5° |
| C25 | C27 | C28 | 112.1° | 109.5° |
| C25 | C27 | H37 | 106.3° | 109.5° |
| O7 | C26 | N6 | 121.3° | 120.6° |
| O8 | C27 | C28 | 111.6° | 109.4° |
| O8 | C27 | H37 | 107.8° | 109.5° |
| C27 | O8 | H38 | 109.5° | 114.0° |
| C28 | C27 | H37 | 106.3° | 109.5° |
| C27 | C28 | H39 | 109.5° | 109.4° |
| C27 | C28 | H40 | 109.5° | 109.5° |
| C27 | C28 | H41 | 109.4° | 109.5° |
| H39 | C28 | H40 | 109.5° | 109.5° |
| H39 | C28 | H41 | 109.5° | 109.5° |
| H40 | C28 | H41 | 109.5° | 109.5° |
| C29 | N6 | H42 | 118.5° | 122.3° |
| N6 | C29 | C30 | 108.7° | 108.6° |
| N6 | C29 | C31 | 109.0° | 109.6° |
| N6 | C29 | H43 | 106.9° | 109.6° |
| C29 | N6 | C26 | 123.1° | 115.4° |
| H42 | N6 | C26 | 118.5° | 122.3° |
| C30 | C29 | C31 | 119.5° | 109.6° |
| C30 | C29 | H43 | 106.0° | 109.7° |
| C29 | C30 | O9 | 118.7° | 120.5° |
| C29 | C30 | N7 | 123.1° | 119.1° |
| C31 | C29 | H43 | 106.1° | 109.8° |
| C29 | C31 | C32 | 116.2° | 109.5° |
| C29 | C31 | H44 | 107.7° | 109.5° |
| C29 | C31 | H45 | 107.8° | 109.4° |
| O9 | C30 | N7 | 118.1° | 120.5° |
| C32 | C31 | H44 | 107.8° | 109.5° |
| C32 | C31 | H45 | 107.8° | 109.5° |
| C31 | C32 | C33 | 120.6° | 120.0° |
| C31 | C32 | C34 | 119.8° | 120.0° |
| H44 | C31 | H45 | 109.5° | 109.5° |
| C33 | C32 | C34 | 119.6° | 120.0° |
| C32 | C33 | C35 | 119.7° | 120.0° |
| C32 | C33 | H46 | 120.1° | 120.0° |
| C32 | C34 | C36 | 120.2° | 120.0° |
| C32 | C34 | H47 | 119.9° | 120.0° |
| C35 | C33 | H46 | 120.1° | 120.0° |
| C33 | C35 | C37 | 120.6° | 120.0° |
| C33 | C35 | H48 | 119.7° | 120.0° |
| C36 | C34 | H47 | 119.9° | 120.0° |
| C34 | C36 | C37 | 120.6° | 120.0° |
| C34 | C36 | H49 | 119.7° | 120.0° |
| C37 | C35 | H48 | 119.7° | 120.0° |
| C35 | C37 | C36 | 119.3° | 120.0° |
| C35 | C37 | H50 | 120.4° | 120.0° |
| C37 | C36 | H49 | 119.7° | 120.0° |
| C36 | C37 | H50 | 120.4° | 120.0° |
| C38 | N7 | C39 | 116.3° | 121.7° |
| N7 | C38 | H51 | 109.5° | 109.5° |
| N7 | C38 | H52 | 109.5° | 109.5° |
| N7 | C38 | H53 | 109.5° | 109.5° |
| C38 | N7 | C30 | 119.3° | 121.7° |
| N7 | C39 | C40 | 112.2° | 109.6° |
| N7 | C39 | C41 | 114.1° | 108.8° |
| N7 | C39 | H54 | 105.1° | 109.6° |
| C39 | N7 | C30 | 124.3° | 116.6° |
| H51 | C38 | H52 | 109.5° | 109.5° |
| H51 | C38 | H53 | 109.5° | 109.4° |
| H52 | C38 | H53 | 109.4° | 109.5° |
| C40 | C39 | C41 | 115.1° | 109.5° |
| C40 | C39 | H54 | 104.4° | 109.6° |
| C39 | C40 | H55 | 109.5° | 109.5° |
| C39 | C40 | H56 | 109.4° | 109.5° |
| C39 | C40 | H57 | 109.5° | 109.5° |
| C41 | C39 | H54 | 104.6° | 109.7° |
| C39 | C41 | O10 | 121.3° | 120.6° |
| C39 | C41 | N8 | 118.0° | 118.8° |
| H55 | C40 | H56 | 109.4° | 109.4° |
| H55 | C40 | H57 | 109.5° | 109.4° |
| H56 | C40 | H57 | 109.5° | 109.4° |
| O10 | C41 | N8 | 120.7° | 120.6° |
| C42 | N8 | H58 | 118.7° | 122.3° |
| N8 | C42 | C43 | 110.5° | 108.6° |
| N8 | C42 | C44 | 111.6° | 109.6° |
| N8 | C42 | H59 | 108.3° | 109.6° |
| C42 | N8 | C41 | 122.5° | 115.4° |
| H58 | N8 | C41 | 118.8° | 122.3° |
| C43 | C42 | C44 | 111.5° | 109.6° |
| C43 | C42 | H59 | 107.5° | 109.6° |
| C42 | C43 | O11 | 120.0° | 120.5° |
| C42 | C43 | N9 | 120.7° | 119.1° |
| C44 | C42 | H59 | 107.2° | 109.8° |
| C42 | C44 | C45 | 115.4° | 109.5° |
| C42 | C44 | H60 | 108.0° | 109.4° |
| C42 | C44 | H61 | 108.0° | 109.4° |
| O11 | C43 | N9 | 119.3° | 120.5° |
| C45 | C44 | H60 | 108.0° | 109.5° |
| C45 | C44 | H61 | 107.9° | 109.5° |
| C44 | C45 | C46 | 119.8° | 119.9° |
| C44 | C45 | C50 | 119.7° | 119.9° |
| H60 | C44 | H61 | 109.5° | 109.5° |
| C46 | C45 | C50 | 120.5° | 120.2° |
| C45 | C46 | C47 | 118.9° | 120.1° |
| C45 | C46 | H62 | 120.6° | 119.9° |
| C45 | C50 | C49 | 120.2° | 120.1° |
| C45 | C50 | H65 | 119.9° | 119.9° |
| C47 | C46 | H62 | 120.5° | 120.0° |
| C46 | C47 | C48 | 121.3° | 119.9° |
| C46 | C47 | H63 | 119.4° | 120.1° |
| C48 | C47 | H63 | 119.3° | 120.0° |
| C47 | C48 | C49 | 119.1° | 119.8° |
| C47 | C48 | C55 | 119.8° | 120.1° |
| C49 | C48 | C55 | 121.0° | 120.1° |
| C48 | C49 | C50 | 120.0° | 119.9° |
| C48 | C49 | H64 | 120.0° | 120.1° |
| C48 | C55 | C54 | 120.3° | 120.1° |
| C48 | C55 | C56 | 120.9° | 120.1° |
| C50 | C49 | H64 | 120.0° | 120.1° |
| C49 | C50 | H65 | 119.9° | 120.0° |
| C52 | C51 | C56 | 119.9° | 120.1° |
| C52 | C51 | H66 | 120.0° | 119.9° |
| C51 | C52 | C53 | 119.0° | 120.2° |
| C51 | C52 | H67 | 120.5° | 119.9° |
| C56 | C51 | H66 | 120.1° | 120.0° |
| C51 | C56 | C55 | 121.2° | 119.9° |
| C51 | C56 | H70 | 119.4° | 120.0° |
| C53 | C52 | H67 | 120.5° | 119.9° |
| C52 | C53 | C54 | 121.1° | 120.1° |
| C52 | C53 | H68 | 119.4° | 119.9° |
| C54 | C53 | H68 | 119.4° | 120.0° |
| C53 | C54 | C55 | 120.0° | 119.9° |
| C53 | C54 | H69 | 120.0° | 120.0° |
| C55 | C54 | H69 | 120.0° | 120.1° |
| C54 | C55 | C56 | 118.8° | 119.8° |
| C55 | C56 | H70 | 119.4° | 120.1° |
| C57 | N9 | C58 | 119.7° | 121.7° |
| N9 | C57 | H71 | 109.5° | 109.5° |
| N9 | C57 | H72 | 109.5° | 109.4° |
| N9 | C57 | H73 | 109.5° | 109.5° |
| C57 | N9 | C43 | 119.9° | 121.7° |
| N9 | C58 | C60 | 112.1° | 109.6° |
| N9 | C58 | C59 | 106.6° | 108.9° |
| N9 | C58 | H74 | 106.8° | 109.6° |
| C58 | N9 | C43 | 120.3° | 116.5° |
| C58 | C60 | C61 | 112.4° | 109.5° |
| C60 | C58 | C59 | 118.7° | 109.5° |
| C60 | C58 | H74 | 105.9° | 109.7° |
| C58 | C60 | H75 | 108.8° | 109.5° |
| C58 | C60 | H76 | 108.7° | 109.5° |
| C60 | C61 | C62 | 112.5° | 109.5° |
| C61 | C60 | H75 | 108.7° | 109.5° |
| C61 | C60 | H76 | 108.8° | 109.5° |
| C60 | C61 | H77 | 108.7° | 109.5° |
| C60 | C61 | H78 | 108.7° | 109.5° |
| C58 | C59 | O12 | 120.0° | 120.6° |
| C59 | C58 | H74 | 105.9° | 109.6° |
| C58 | C59 | N10 | 121.3° | 118.7° |
| O13 | C62 | C61 | 125.0° | 120.0° |
| O13 | C62 | O14 | 122.8° | 120.0° |
| O12 | C59 | N10 | 118.7° | 120.7° |
| C61 | C62 | O14 | 112.2° | 120.0° |
| C62 | C61 | H77 | 108.7° | 109.5° |
| C62 | C61 | H78 | 108.7° | 109.5° |
| C62 | O14 | H79 | 109.5° | 117.0° |
| H71 | C57 | H72 | 109.5° | 109.5° |
| H71 | C57 | H73 | 109.4° | 109.5° |
| H72 | C57 | H73 | 109.5° | 109.5° |
| H75 | C60 | H76 | 109.4° | 109.5° |
| H77 | C61 | H78 | 109.5° | 109.5° |
| N10 | C63 | C64 | 110.9° | 108.6° |
| N10 | C63 | H80 | 109.1° | 109.6° |
| N10 | C63 | H81 | 109.1° | 109.6° |
| C63 | N10 | H84 | 118.7° | 122.3° |
| C63 | N10 | C59 | 122.5° | 115.3° |
| C64 | C63 | H80 | 109.1° | 109.6° |
| C64 | C63 | H81 | 109.1° | 109.6° |
| C63 | C64 | H82 | 108.7° | 109.5° |
| C63 | C64 | H83 | 108.8° | 109.5° |
| C63 | C64 | C19 | 112.3° | 109.4° |
| H80 | C63 | H81 | 109.5° | 109.8° |
| H82 | C64 | H83 | 109.5° | 109.5° |
| H82 | C64 | C19 | 108.8° | 109.4° |
| H83 | C64 | C19 | 108.8° | 109.5° |
| H84 | N10 | C59 | 118.8° | 122.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | S1 | H3 | 120.8° | 120.0° |
| C4 | C3 | S1 | H4 | 120.8° | 120.0° |
| C4 | C3 | S1 | C2 | 149.0° | 180.0° |
| C4 | C3 | H3 | H4 | 117.4° | 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 | 59.1° | 180.0° |
| C3 | S1 | C2 | H1 | 179.7° | 60.0° |
| C3 | S1 | C2 | H2 | 61.6° | 60.0° |
| S1 | C3 | H3 | H4 | 117.5° | 120.1° |
| S1 | C3 | C4 | H5 | 180.0° | 60.0° |
| S1 | C3 | C4 | H6 | 60.0° | 59.9° |
| S1 | C3 | C4 | H7 | 60.0° | 180.0° |
| C1 | C2 | S1 | H1 | 120.7° | 120.0° |
| C1 | C2 | S1 | H2 | 120.7° | 120.0° |
| C2 | C1 | O1 | N1 | 179.8° | 179.7° |
| C1 | C2 | H1 | H2 | 118.0° | 120.0° |
| C2 | C1 | N1 | C5 | 177.3° | 179.7° |
| C2 | C1 | N1 | H8 | 2.6° | 0.3° |
| S1 | C2 | C1 | O1 | 56.0° | 0.0° |
| S1 | C2 | H1 | H2 | 117.9° | 120.0° |
| C2 | S1 | C3 | H3 | 90.2° | 60.0° |
| C2 | S1 | C3 | H4 | 28.2° | 60.0° |
| S1 | C2 | C1 | N1 | 124.2° | 179.7° |
| O1 | C1 | C2 | H1 | 64.7° | 120.0° |
| O1 | C1 | C2 | H2 | 176.6° | 120.0° |
| O1 | C1 | N1 | C5 | 2.5° | 0.0° |
| O1 | C1 | N1 | H8 | 177.6° | 180.0° |
| H1 | C2 | C1 | N1 | 115.1° | 59.7° |
| H2 | C2 | C1 | N1 | 3.6° | 60.3° |
| H3 | C3 | C4 | H5 | 59.2° | 180.0° |
| H3 | C3 | C4 | H6 | 60.8° | 60.0° |
| H3 | C3 | C4 | H7 | 179.1° | 60.0° |
| H4 | C3 | C4 | H5 | 59.1° | 60.0° |
| H4 | C3 | C4 | H6 | 179.2° | 180.0° |
| H4 | C3 | C4 | H7 | 60.8° | 60.0° |
| H5 | C4 | H6 | H7 | 119.9° | 120.0° |
| C5 | N1 | H8 | C1 | 180.0° | 180.0° |
| N1 | C5 | C6 | C7 | 117.7° | 120.0° |
| N1 | C5 | C6 | H9 | 119.0° | 120.0° |
| N1 | C5 | C7 | H9 | 124.9° | 120.1° |
| N1 | C5 | C6 | O2 | 81.7° | 0.0° |
| N1 | C5 | C7 | C8 | 65.5° | 65.0° |
| N1 | C5 | C7 | H10 | 54.9° | 55.0° |
| N1 | C5 | C7 | H11 | 174.0° | 174.9° |
| N1 | C5 | C6 | N2 | 95.9° | 179.9° |
| H8 | N1 | C5 | C6 | 68.7° | 25.0° |
| H8 | N1 | C5 | C7 | 48.7° | 95.0° |
| H8 | N1 | C5 | H9 | 173.0° | 145.0° |
| C6 | C5 | C7 | H9 | 123.3° | 120.0° |
| C5 | C6 | O2 | N2 | 177.6° | 180.0° |
| C6 | C5 | C7 | C8 | 177.3° | 175.0° |
| C6 | C5 | C7 | H10 | 56.8° | 65.0° |
| C6 | C5 | C7 | H11 | 62.3° | 55.0° |
| C5 | C6 | N2 | C14 | 177.5° | 180.0° |
| C5 | C6 | N2 | H17 | 2.5° | 0.1° |
| C6 | C5 | N1 | C1 | 111.3° | 155.0° |
| C7 | C5 | C6 | O2 | 35.9° | 120.0° |
| C5 | C7 | C8 | H10 | 120.5° | 119.9° |
| C5 | C7 | C8 | H11 | 120.5° | 120.0° |
| C5 | C7 | H10 | H11 | 118.6° | 120.0° |
| C5 | C7 | C8 | C9 | 104.7° | 90.0° |
| C5 | C7 | C8 | C10 | 74.8° | 90.3° |
| C7 | C5 | N1 | C1 | 131.3° | 85.0° |
| C7 | C5 | C6 | N2 | 146.4° | 60.0° |
| H9 | C5 | C6 | O2 | 159.2° | 120.0° |
| H9 | C5 | C7 | C8 | 59.4° | 55.1° |
| H9 | C5 | C7 | H10 | 179.9° | 175.0° |
| H9 | C5 | C7 | H11 | 61.0° | 65.0° |
| H9 | C5 | N1 | C1 | 7.0° | 35.0° |
| H9 | C5 | C6 | N2 | 23.1° | 60.0° |
| O2 | C6 | N2 | C14 | 0.1° | 0.1° |
| O2 | C6 | N2 | H17 | 179.9° | 180.0° |
| C8 | C7 | H10 | H11 | 118.6° | 120.1° |
| C7 | C8 | C9 | C10 | 179.6° | 179.7° |
| C7 | C8 | C9 | C11 | 179.6° | 180.0° |
| C7 | C8 | C9 | H12 | 0.4° | 0.1° |
| C7 | C8 | C10 | C12 | 179.1° | 180.0° |
| C7 | C8 | C10 | H13 | 0.9° | 0.1° |
| H10 | C7 | C8 | C9 | 15.7° | 29.9° |
| H10 | C7 | C8 | C10 | 164.7° | 149.7° |
| H11 | C7 | C8 | C9 | 134.8° | 149.9° |
| H11 | C7 | C8 | C10 | 45.6° | 29.7° |
| C8 | C9 | C11 | H12 | 180.0° | 179.9° |
| C9 | C8 | C10 | C12 | 0.5° | 0.3° |
| C9 | C8 | C10 | H13 | 179.5° | 179.7° |
| C8 | C9 | C11 | C13 | 0.2° | 0.0° |
| C8 | C9 | C11 | H14 | 179.8° | 179.9° |
| C10 | C8 | C9 | C11 | 0.1° | 0.3° |
| C10 | C8 | C9 | H12 | 180.0° | 179.7° |
| C8 | C10 | C12 | H13 | 180.0° | 180.0° |
| C8 | C10 | C12 | C13 | 0.8° | 0.1° |
| C8 | C10 | C12 | H15 | 179.2° | 180.0° |
| C9 | C11 | C13 | H14 | 180.0° | 180.0° |
| C9 | C11 | C13 | C12 | 0.1° | 0.2° |
| C9 | C11 | C13 | H16 | 179.9° | 180.0° |
| H12 | C9 | C11 | C13 | 179.8° | 180.0° |
| H12 | C9 | C11 | H14 | 0.2° | 0.0° |
| C10 | C12 | C13 | C11 | 0.7° | 0.2° |
| C10 | C12 | C13 | H15 | 180.0° | 179.9° |
| C10 | C12 | C13 | H16 | 179.3° | 180.0° |
| H13 | C10 | C12 | C13 | 179.2° | 180.0° |
| H13 | C10 | C12 | H15 | 0.8° | 0.0° |
| C11 | C13 | C12 | H16 | 180.0° | 179.8° |
| C11 | C13 | C12 | H15 | 179.3° | 179.7° |
| H14 | C11 | C13 | C12 | 179.8° | 179.8° |
| H14 | C11 | C13 | H16 | 0.2° | 0.0° |
| H15 | C12 | C13 | H16 | 0.7° | 0.1° |
| C14 | N2 | H17 | C6 | 180.0° | 179.9° |
| N2 | C14 | C15 | C16 | 130.1° | 120.0° |
| N2 | C14 | C15 | H18 | 114.6° | 120.0° |
| N2 | C14 | C16 | H18 | 112.6° | 120.0° |
| N2 | C14 | C15 | O3 | 27.7° | 10.2° |
| N2 | C14 | C16 | C17 | 60.6° | 70.7° |
| N2 | C14 | C16 | C18 | 69.4° | 49.4° |
| N2 | C14 | C16 | H19 | 176.2° | 169.4° |
| N2 | C14 | C15 | N3 | 152.8° | 169.9° |
| H17 | N2 | C14 | C15 | 84.7° | 25.1° |
| H17 | N2 | C14 | C16 | 49.0° | 95.0° |
| H17 | N2 | C14 | H18 | 161.1° | 145.0° |
| C15 | C14 | C16 | H18 | 115.4° | 120.0° |
| C14 | C15 | O3 | N3 | 179.5° | 179.9° |
| C15 | C14 | C16 | C17 | 167.3° | 169.3° |
| C15 | C14 | C16 | C18 | 62.6° | 70.7° |
| C15 | C14 | C16 | H19 | 51.8° | 49.3° |
| C14 | C15 | N3 | C19 | 179.4° | 172.6° |
| C14 | C15 | N3 | H26 | 0.7° | 7.3° |
| C15 | C14 | N2 | C6 | 95.3° | 155.0° |
| C16 | C14 | C15 | O3 | 102.4° | 109.9° |
| C14 | C16 | C17 | C18 | 130.5° | 120.0° |
| C14 | C16 | C17 | H19 | 115.5° | 120.0° |
| C14 | C16 | C18 | H19 | 114.4° | 120.0° |
| C14 | C16 | C17 | H20 | 180.0° | 56.9° |
| C14 | C16 | C17 | H21 | 60.0° | 177.0° |
| C14 | C16 | C17 | H22 | 60.0° | 63.1° |
| C14 | C16 | C18 | H23 | 180.0° | 68.1° |
| C14 | C16 | C18 | H24 | 60.0° | 171.9° |
| C14 | C16 | C18 | H25 | 60.0° | 51.8° |
| C16 | C14 | N2 | C6 | 131.0° | 84.9° |
| C16 | C14 | C15 | N3 | 77.1° | 70.0° |
| H18 | C14 | C15 | O3 | 142.3° | 130.1° |
| H18 | C14 | C16 | C17 | 51.9° | 49.3° |
| H18 | C14 | C16 | C18 | 178.0° | 169.3° |
| H18 | C14 | C16 | H19 | 63.6° | 70.7° |
| H18 | C14 | N2 | C6 | 18.9° | 35.1° |
| H18 | C14 | C15 | N3 | 38.2° | 50.0° |
| O3 | C15 | N3 | C19 | 1.2° | 7.5° |
| O3 | C15 | N3 | H26 | 178.8° | 172.6° |
| C17 | C16 | C18 | H19 | 114.1° | 120.0° |
| C16 | C17 | H20 | H21 | 120.0° | 120.0° |
| C16 | C17 | H20 | H22 | 120.0° | 120.0° |
| C16 | C17 | H21 | H22 | 120.0° | 119.9° |
| C17 | C16 | C18 | H23 | 48.5° | 171.9° |
| C17 | C16 | C18 | H24 | 71.5° | 51.9° |
| C17 | C16 | C18 | H25 | 168.5° | 68.2° |
| C18 | C16 | C17 | H20 | 49.5° | 63.1° |
| C18 | C16 | C17 | H21 | 169.6° | 57.0° |
| C18 | C16 | C17 | H22 | 70.5° | 176.9° |
| C16 | C18 | H23 | H24 | 120.0° | 120.0° |
| C16 | C18 | H23 | H25 | 120.0° | 119.9° |
| C16 | C18 | H24 | H25 | 120.0° | 120.0° |
| H19 | C16 | C17 | H20 | 64.5° | 176.9° |
| H19 | C16 | C17 | H21 | 55.5° | 63.1° |
| H19 | C16 | C17 | H22 | 175.5° | 56.9° |
| H19 | C16 | C18 | H23 | 65.6° | 51.8° |
| H19 | C16 | C18 | H24 | 174.4° | 68.2° |
| H19 | C16 | C18 | H25 | 54.4° | 171.8° |
| H20 | C17 | H21 | H22 | 120.0° | 120.0° |
| H23 | C18 | H24 | H25 | 120.0° | 120.0° |
| C19 | N3 | H26 | C15 | 180.0° | 179.9° |
| N3 | C19 | C20 | H27 | 119.1° | 120.0° |
| N3 | C19 | C20 | C64 | 124.6° | 120.1° |
| N3 | C19 | H27 | C64 | 121.0° | 120.0° |
| N3 | C19 | C20 | O4 | 164.2° | 163.1° |
| N3 | C19 | C64 | C63 | 67.9° | 59.7° |
| N3 | C19 | C64 | H82 | 171.7° | 60.2° |
| N3 | C19 | C64 | H83 | 52.5° | 179.7° |
| N3 | C19 | C20 | N4 | 17.7° | 16.8° |
| H26 | N3 | C19 | C20 | 116.4° | 97.8° |
| H26 | N3 | C19 | H27 | 124.9° | 142.2° |
| H26 | N3 | C19 | C64 | 6.7° | 22.3° |
| C20 | C19 | H27 | C64 | 117.5° | 120.0° |
| C19 | C20 | O4 | N4 | 178.1° | 179.9° |
| C19 | C20 | N4 | C21 | 179.4° | 179.4° |
| C19 | C20 | N4 | H28 | 0.5° | 0.6° |
| C20 | C19 | C64 | C63 | 167.3° | 179.8° |
| C20 | C19 | C64 | H82 | 46.9° | 59.8° |
| C20 | C19 | C64 | H83 | 72.2° | 60.2° |
| C20 | C19 | N3 | C15 | 63.6° | 82.3° |
| H27 | C19 | C20 | O4 | 45.1° | 76.9° |
| H27 | C19 | C64 | C63 | 50.9° | 60.3° |
| H27 | C19 | C64 | H82 | 69.6° | 179.8° |
| H27 | C19 | C64 | H83 | 171.3° | 59.7° |
| H27 | C19 | N3 | C15 | 55.1° | 37.7° |
| H27 | C19 | C20 | N4 | 136.8° | 103.2° |
| O4 | C20 | N4 | C21 | 1.4° | 0.7° |
| O4 | C20 | N4 | H28 | 178.6° | 179.3° |
| O4 | C20 | C19 | C64 | 71.3° | 43.0° |
| C21 | N4 | H28 | C20 | 180.0° | 180.0° |
| N4 | C21 | C22 | C23 | 128.5° | 119.7° |
| N4 | C21 | C22 | H29 | 115.7° | 119.7° |
| N4 | C21 | C23 | H29 | 116.7° | 120.4° |
| N4 | C21 | C22 | O5 | 174.8° | 44.8° |
| N4 | C21 | C23 | O6 | 47.7° | 14.1° |
| N4 | C21 | C23 | C24 | 76.5° | 134.2° |
| N4 | C21 | C23 | H30 | 164.9° | 105.9° |
| N4 | C21 | C22 | N5 | 8.2° | 135.3° |
| H28 | N4 | C21 | C22 | 99.5° | 99.7° |
| H28 | N4 | C21 | C23 | 29.1° | 140.5° |
| H28 | N4 | C21 | H29 | 145.3° | 20.0° |
| C22 | C21 | C23 | H29 | 115.9° | 120.4° |
| C21 | C22 | O5 | N5 | 176.7° | 180.0° |
| C22 | C21 | C23 | O6 | 79.8° | 133.3° |
| C22 | C21 | C23 | C24 | 156.1° | 106.6° |
| C22 | C21 | C23 | H30 | 37.4° | 13.3° |
| C21 | C22 | N5 | C25 | 179.6° | 179.8° |
| C21 | C22 | N5 | H35 | 0.4° | 0.2° |
| C22 | C21 | N4 | C20 | 80.6° | 80.2° |
| C23 | C21 | C22 | O5 | 56.7° | 164.5° |
| C21 | C23 | O6 | C24 | 125.6° | 120.1° |
| C21 | C23 | O6 | H30 | 116.2° | 120.0° |
| C21 | C23 | C24 | H30 | 118.7° | 120.0° |
| C21 | C23 | O6 | H31 | 180.0° | 55.2° |
| C21 | C23 | C24 | H32 | 180.0° | 73.8° |
| C21 | C23 | C24 | H33 | 60.0° | 166.2° |
| C21 | C23 | C24 | H34 | 60.0° | 46.2° |
| C23 | C21 | N4 | C20 | 150.9° | 39.5° |
| C23 | C21 | C22 | N5 | 120.3° | 15.5° |
| H29 | C21 | C22 | O5 | 59.1° | 75.0° |
| H29 | C21 | C23 | O6 | 164.3° | 106.3° |
| H29 | C21 | C23 | C24 | 40.2° | 13.8° |
| H29 | C21 | C23 | H30 | 78.5° | 133.7° |
| H29 | C21 | N4 | C20 | 34.7° | 160.0° |
| H29 | C21 | C22 | N5 | 123.9° | 105.0° |
| O5 | C22 | N5 | C25 | 2.7° | 0.1° |
| O5 | C22 | N5 | H35 | 177.3° | 179.8° |
| O6 | C23 | C24 | H30 | 119.1° | 120.0° |
| O6 | C23 | C24 | H32 | 57.8° | 46.3° |
| O6 | C23 | C24 | H33 | 177.8° | 73.7° |
| O6 | C23 | C24 | H34 | 62.2° | 166.2° |
| C24 | C23 | O6 | H31 | 54.3° | 64.9° |
| C23 | C24 | H32 | H33 | 120.0° | 120.0° |
| C23 | C24 | H32 | H34 | 120.0° | 120.0° |
| C23 | C24 | H33 | H34 | 120.0° | 120.0° |
| H30 | C23 | O6 | H31 | 63.8° | 175.2° |
| H30 | C23 | C24 | H32 | 61.3° | 166.2° |
| H30 | C23 | C24 | H33 | 58.7° | 46.3° |
| H30 | C23 | C24 | H34 | 178.7° | 73.8° |
| H32 | C24 | H33 | H34 | 120.0° | 120.0° |
| C25 | N5 | H35 | C22 | 180.0° | 180.0° |
| N5 | C25 | C26 | C27 | 129.5° | 119.8° |
| N5 | C25 | C26 | H36 | 113.4° | 119.8° |
| N5 | C25 | C27 | H36 | 118.1° | 120.3° |
| N5 | C25 | C26 | O7 | 65.6° | 6.0° |
| N5 | C25 | C27 | O8 | 54.5° | 65.0° |
| N5 | C25 | C27 | C28 | 178.9° | 55.0° |
| N5 | C25 | C27 | H37 | 63.2° | 175.0° |
| N5 | C25 | C26 | N6 | 114.3° | 173.9° |
| H35 | N5 | C25 | C26 | 75.0° | 53.5° |
| H35 | N5 | C25 | C27 | 54.6° | 66.3° |
| H35 | N5 | C25 | H36 | 172.1° | 173.4° |
| C26 | C25 | C27 | H36 | 117.2° | 120.3° |
| C25 | C26 | O7 | N6 | 179.8° | 179.9° |
| C26 | C25 | C27 | O8 | 179.2° | 54.4° |
| C26 | C25 | C27 | C28 | 54.2° | 174.4° |
| C26 | C25 | C27 | H37 | 61.5° | 65.6° |
| C25 | C26 | N6 | C29 | 178.3° | 179.9° |
| C25 | C26 | N6 | H42 | 1.8° | 0.2° |
| C26 | C25 | N5 | C22 | 104.9° | 126.4° |
| C27 | C25 | C26 | O7 | 63.9° | 113.9° |
| C25 | C27 | O8 | C28 | 126.8° | 120.0° |
| C25 | C27 | O8 | H37 | 116.8° | 120.0° |
| C25 | C27 | C28 | H37 | 115.8° | 120.0° |
| C25 | C27 | O8 | H38 | 180.0° | 60.0° |
| C25 | C27 | C28 | H39 | 180.0° | 60.0° |
| C25 | C27 | C28 | H40 | 60.0° | 180.0° |
| C25 | C27 | C28 | H41 | 60.0° | 60.0° |
| C27 | C25 | N5 | C22 | 125.4° | 113.8° |
| C27 | C25 | C26 | N6 | 116.3° | 66.2° |
| H36 | C25 | C26 | O7 | 179.0° | 125.8° |
| H36 | C25 | C27 | O8 | 63.6° | 174.7° |
| H36 | C25 | C27 | C28 | 63.0° | 65.3° |
| H36 | C25 | C27 | H37 | 178.7° | 54.7° |
| H36 | C25 | N5 | C22 | 7.9° | 6.6° |
| H36 | C25 | C26 | N6 | 0.9° | 54.1° |
| O7 | C26 | N6 | C29 | 1.9° | 0.1° |
| O7 | C26 | N6 | H42 | 178.1° | 179.9° |
| O8 | C27 | C28 | H37 | 117.3° | 120.0° |
| O8 | C27 | C28 | H39 | 53.1° | 60.0° |
| O8 | C27 | C28 | H40 | 173.1° | 60.0° |
| O8 | C27 | C28 | H41 | 66.9° | 180.0° |
| C28 | C27 | O8 | H38 | 53.1° | 60.1° |
| C27 | C28 | H39 | H40 | 120.0° | 120.0° |
| C27 | C28 | H39 | H41 | 120.0° | 120.0° |
| C27 | C28 | H40 | H41 | 120.0° | 120.0° |
| H37 | C27 | O8 | H38 | 63.2° | 180.0° |
| H37 | C27 | C28 | H39 | 64.2° | 180.0° |
| H37 | C27 | C28 | H40 | 55.8° | 60.0° |
| H37 | C27 | C28 | H41 | 175.8° | 60.0° |
| H39 | C28 | H40 | H41 | 120.0° | 120.1° |
| C29 | N6 | H42 | C26 | 180.0° | 179.9° |
| N6 | C29 | C30 | C31 | 125.9° | 119.7° |
| N6 | C29 | C30 | H43 | 114.6° | 119.7° |
| N6 | C29 | C31 | H43 | 114.8° | 120.4° |
| N6 | C29 | C30 | O9 | 43.6° | 9.8° |
| N6 | C29 | C31 | C32 | 170.9° | 56.7° |
| N6 | C29 | C31 | H44 | 49.9° | 63.3° |
| N6 | C29 | C31 | H45 | 68.1° | 176.7° |
| N6 | C29 | C30 | N7 | 132.6° | 170.2° |
| H42 | N6 | C29 | C30 | 106.3° | 71.4° |
| H42 | N6 | C29 | C31 | 25.5° | 168.8° |
| H42 | N6 | C29 | H43 | 139.7° | 48.3° |
| C30 | C29 | C31 | H43 | 119.5° | 120.5° |
| C29 | C30 | O9 | N7 | 176.4° | 180.0° |
| C30 | C29 | C31 | C32 | 63.4° | 175.8° |
| C30 | C29 | C31 | H44 | 175.6° | 55.8° |
| C30 | C29 | C31 | H45 | 57.6° | 64.2° |
| C29 | C30 | N7 | C38 | 179.1° | 0.2° |
| C29 | C30 | N7 | C39 | 4.7° | 179.8° |
| C30 | C29 | N6 | C26 | 73.7° | 108.6° |
| C31 | C29 | C30 | O9 | 82.3° | 129.5° |
| C29 | C31 | C32 | H44 | 121.0° | 120.0° |
| C29 | C31 | C32 | H45 | 121.0° | 120.0° |
| C29 | C31 | H44 | H45 | 116.9° | 120.0° |
| C29 | C31 | C32 | C33 | 100.7° | 142.0° |
| C29 | C31 | C32 | C34 | 80.7° | 38.2° |
| C31 | C29 | N6 | C26 | 154.5° | 11.1° |
| C31 | C29 | C30 | N7 | 101.6° | 50.5° |
| H43 | C29 | C30 | O9 | 158.2° | 109.9° |
| H43 | C29 | C31 | C32 | 56.1° | 63.7° |
| H43 | C29 | C31 | H44 | 64.9° | 176.3° |
| H43 | C29 | C31 | H45 | 177.1° | 56.3° |
| H43 | C29 | N6 | C26 | 40.3° | 131.6° |
| H43 | C29 | C30 | N7 | 18.0° | 70.1° |
| O9 | C30 | N7 | C38 | 2.9° | 179.8° |
| O9 | C30 | N7 | C39 | 179.1° | 0.2° |
| C32 | C31 | H44 | H45 | 116.9° | 120.0° |
| C31 | C32 | C33 | C34 | 178.6° | 179.7° |
| C31 | C32 | C33 | C35 | 179.9° | 180.0° |
| C31 | C32 | C33 | H46 | 0.1° | 0.0° |
| C31 | C32 | C34 | C36 | 179.6° | 180.0° |
| C31 | C32 | C34 | H47 | 0.4° | 0.0° |
| H44 | C31 | C32 | C33 | 138.4° | 22.0° |
| H44 | C31 | C32 | C34 | 40.3° | 158.2° |
| H45 | C31 | C32 | C33 | 20.3° | 98.0° |
| H45 | C31 | C32 | C34 | 158.3° | 81.8° |
| C32 | C33 | C35 | H46 | 180.0° | 180.0° |
| C33 | C32 | C34 | C36 | 1.8° | 0.3° |
| C33 | C32 | C34 | H47 | 178.3° | 179.7° |
| C32 | C33 | C35 | C37 | 0.3° | 0.0° |
| C32 | C33 | C35 | H48 | 179.7° | 180.0° |
| C34 | C32 | C33 | C35 | 1.3° | 0.3° |
| C34 | C32 | C33 | H46 | 178.7° | 179.7° |
| C32 | C34 | C36 | H47 | 180.0° | 180.0° |
| C32 | C34 | C36 | C37 | 1.3° | 0.0° |
| C32 | C34 | C36 | H49 | 178.8° | 180.0° |
| C33 | C35 | C37 | H48 | 180.0° | 180.0° |
| C33 | C35 | C37 | C36 | 0.2° | 0.2° |
| C33 | C35 | C37 | H50 | 179.8° | 179.9° |
| H46 | C33 | C35 | C37 | 179.7° | 180.0° |
| H46 | C33 | C35 | H48 | 0.3° | 0.1° |
| C34 | C36 | C37 | C35 | 0.3° | 0.2° |
| C34 | C36 | C37 | H49 | 180.0° | 179.9° |
| C34 | C36 | C37 | H50 | 179.7° | 179.9° |
| H47 | C34 | C36 | C37 | 178.8° | 179.9° |
| H47 | C34 | C36 | H49 | 1.2° | 0.0° |
| C35 | C37 | C36 | H50 | 180.0° | 179.8° |
| C35 | C37 | C36 | H49 | 179.8° | 179.7° |
| H48 | C35 | C37 | C36 | 179.8° | 179.8° |
| H48 | C35 | C37 | H50 | 0.2° | 0.0° |
| H49 | C36 | C37 | H50 | 0.2° | 0.1° |
| C38 | N7 | C39 | C30 | 176.3° | 180.0° |
| N7 | C38 | H51 | H52 | 120.0° | 120.0° |
| N7 | C38 | H51 | H53 | 120.0° | 120.0° |
| N7 | C38 | H52 | H53 | 120.0° | 120.0° |
| C38 | N7 | C39 | C40 | 63.8° | 48.6° |
| C38 | N7 | C39 | C41 | 69.3° | 71.2° |
| C38 | N7 | C39 | H54 | 176.6° | 168.9° |
| C39 | N7 | C38 | H51 | 180.0° | 142.1° |
| C39 | N7 | C38 | H52 | 60.0° | 97.8° |
| C39 | N7 | C38 | H53 | 60.0° | 22.2° |
| N7 | C39 | C40 | C41 | 132.7° | 119.4° |
| N7 | C39 | C40 | H54 | 113.3° | 120.3° |
| N7 | C39 | C41 | H54 | 114.3° | 119.9° |
| N7 | C39 | C40 | H55 | 180.0° | 59.9° |
| N7 | C39 | C40 | H56 | 60.0° | 180.0° |
| N7 | C39 | C40 | H57 | 60.0° | 60.0° |
| N7 | C39 | C41 | O10 | 137.5° | 22.5° |
| N7 | C39 | C41 | N8 | 41.7° | 157.5° |
| H51 | C38 | H52 | H53 | 120.0° | 120.0° |
| H51 | C38 | N7 | C30 | 3.5° | 37.8° |
| H52 | C38 | N7 | C30 | 123.5° | 82.2° |
| H53 | C38 | N7 | C30 | 116.5° | 157.8° |
| C40 | C39 | C41 | H54 | 113.9° | 120.3° |
| C39 | C40 | H55 | H56 | 120.0° | 120.1° |
| C39 | C40 | H55 | H57 | 120.0° | 120.0° |
| C39 | C40 | H56 | H57 | 120.0° | 120.0° |
| C40 | C39 | C41 | O10 | 5.7° | 97.4° |
| C40 | C39 | N7 | C30 | 112.5° | 131.4° |
| C40 | C39 | C41 | N8 | 173.4° | 82.6° |
| C41 | C39 | C40 | H55 | 47.4° | 59.4° |
| C41 | C39 | C40 | H56 | 167.3° | 60.6° |
| C41 | C39 | C40 | H57 | 72.7° | 179.4° |
| C39 | C41 | O10 | N8 | 179.1° | 180.0° |
| C39 | C41 | N8 | C42 | 179.4° | 179.9° |
| C39 | C41 | N8 | H58 | 0.6° | 0.1° |
| C41 | C39 | N7 | C30 | 114.4° | 108.9° |
| H54 | C39 | C40 | H55 | 66.7° | 179.8° |
| H54 | C39 | C40 | H56 | 53.3° | 59.7° |
| H54 | C39 | C40 | H57 | 173.3° | 60.3° |
| H54 | C39 | C41 | O10 | 108.2° | 142.3° |
| H54 | C39 | N7 | C30 | 0.3° | 11.0° |
| H54 | C39 | C41 | N8 | 72.7° | 37.7° |
| H55 | C40 | H56 | H57 | 120.0° | 119.9° |
| O10 | C41 | N8 | C42 | 0.3° | 0.1° |
| O10 | C41 | N8 | H58 | 179.8° | 179.9° |
| C42 | N8 | H58 | C41 | 180.0° | 180.0° |
| N8 | C42 | C43 | C44 | 124.8° | 119.7° |
| N8 | C42 | C43 | H59 | 118.0° | 119.7° |
| N8 | C42 | C44 | H59 | 118.5° | 120.4° |
| N8 | C42 | C43 | O11 | 33.3° | 9.9° |
| N8 | C42 | C44 | C45 | 51.5° | 68.3° |
| N8 | C42 | C44 | H60 | 69.4° | 51.7° |
| N8 | C42 | C44 | H61 | 172.3° | 171.6° |
| N8 | C42 | C43 | N9 | 148.1° | 170.1° |
| H58 | N8 | C42 | C43 | 106.0° | 58.7° |
| H58 | N8 | C42 | C44 | 18.7° | 178.5° |
| H58 | N8 | C42 | H59 | 136.6° | 61.0° |
| C43 | C42 | C44 | H59 | 117.4° | 120.4° |
| C42 | C43 | O11 | N9 | 178.6° | 179.9° |
| C43 | C42 | C44 | C45 | 175.6° | 172.5° |
| C43 | C42 | C44 | H60 | 54.8° | 67.5° |
| C43 | C42 | C44 | H61 | 63.5° | 52.5° |
| C42 | C43 | N9 | C57 | 0.3° | 2.7° |
| C42 | C43 | N9 | C58 | 177.1° | 177.2° |
| C43 | C42 | N8 | C41 | 74.0° | 121.3° |
| C44 | C42 | C43 | O11 | 91.5° | 129.6° |
| C42 | C44 | C45 | H60 | 120.9° | 120.0° |
| C42 | C44 | C45 | H61 | 120.9° | 120.0° |
| C42 | C44 | H60 | H61 | 117.3° | 119.9° |
| C42 | C44 | C45 | C46 | 134.7° | 147.6° |
| C42 | C44 | C45 | C50 | 45.4° | 32.7° |
| C44 | C42 | N8 | C41 | 161.3° | 1.5° |
| C44 | C42 | C43 | N9 | 87.1° | 50.3° |
| H59 | C42 | C43 | O11 | 151.3° | 109.9° |
| H59 | C42 | C44 | C45 | 67.0° | 52.1° |
| H59 | C42 | C44 | H60 | 172.1° | 172.1° |
| H59 | C42 | C44 | H61 | 53.8° | 67.9° |
| H59 | C42 | N8 | C41 | 43.5° | 119.0° |
| H59 | C42 | C43 | N9 | 30.1° | 70.2° |
| O11 | C43 | N9 | C57 | 178.9° | 177.2° |
| O11 | C43 | N9 | C58 | 1.5° | 2.8° |
| C45 | C44 | H60 | H61 | 117.3° | 120.1° |
| C44 | C45 | C46 | C50 | 179.9° | 179.7° |
| C44 | C45 | C46 | C47 | 179.8° | 180.0° |
| C44 | C45 | C46 | H62 | 0.2° | 0.1° |
| C44 | C45 | C50 | C49 | 180.0° | 179.7° |
| C44 | C45 | C50 | H65 | 0.0° | 0.1° |
| H60 | C44 | C45 | C46 | 13.8° | 27.6° |
| H60 | C44 | C45 | C50 | 166.2° | 152.7° |
| H61 | C44 | C45 | C46 | 104.4° | 92.4° |
| H61 | C44 | C45 | C50 | 75.5° | 87.3° |
| C45 | C46 | C47 | H62 | 180.0° | 179.9° |
| C45 | C46 | C47 | C48 | 0.1° | 0.0° |
| C45 | C46 | C47 | H63 | 179.9° | 179.9° |
| C46 | C45 | C50 | C49 | 0.1° | 0.6° |
| C46 | C45 | C50 | H65 | 179.9° | 179.8° |
| C50 | C45 | C46 | C47 | 0.1° | 0.3° |
| C50 | C45 | C46 | H62 | 179.9° | 179.8° |
| C45 | C50 | C49 | C48 | 0.3° | 0.6° |
| C45 | C50 | C49 | H65 | 180.0° | 179.7° |
| C45 | C50 | C49 | H64 | 179.7° | 179.7° |
| C46 | C47 | C48 | H63 | 180.0° | 179.9° |
| C46 | C47 | C48 | C49 | 0.1° | 0.0° |
| C46 | C47 | C48 | C55 | 179.2° | 180.0° |
| H62 | C46 | C47 | C48 | 179.9° | 179.9° |
| H62 | C46 | C47 | H63 | 0.1° | 0.0° |
| C47 | C48 | C49 | C55 | 179.1° | 180.0° |
| C47 | C48 | C49 | C50 | 0.3° | 0.3° |
| C47 | C48 | C49 | H64 | 179.7° | 180.0° |
| C47 | C48 | C55 | C54 | 135.6° | 180.0° |
| C47 | C48 | C55 | C56 | 42.3° | 0.0° |
| H63 | C47 | C48 | C49 | 179.9° | 179.9° |
| H63 | C47 | C48 | C55 | 0.7° | 0.1° |
| C48 | C49 | C50 | H64 | 180.0° | 179.7° |
| C48 | C49 | C50 | H65 | 179.7° | 179.8° |
| C49 | C48 | C55 | C54 | 43.5° | 0.1° |
| C49 | C48 | C55 | C56 | 138.6° | NaN° |
| C55 | C48 | C49 | C50 | 179.4° | 179.7° |
| C55 | C48 | C49 | H64 | 0.6° | 0.1° |
| C48 | C55 | C56 | C51 | 178.7° | 180.0° |
| C48 | C55 | C54 | C53 | 178.1° | 180.0° |
| C48 | C55 | C54 | C56 | 177.9° | 179.9° |
| C48 | C55 | C54 | H69 | 1.9° | 0.1° |
| C48 | C55 | C56 | H70 | 1.3° | 0.1° |
| H64 | C49 | C50 | H65 | 0.3° | 0.1° |
| C52 | C51 | C56 | H66 | 180.0° | 179.7° |
| C51 | C52 | C53 | H67 | 180.0° | 180.0° |
| C51 | C52 | C53 | C54 | 0.1° | 0.0° |
| C51 | C52 | C53 | H68 | 179.9° | 180.0° |
| C52 | C51 | C56 | C55 | 1.0° | 0.0° |
| C52 | C51 | C56 | H70 | 179.1° | 180.0° |
| C56 | C51 | C52 | C53 | 0.5° | 0.0° |
| C56 | C51 | C52 | H67 | 179.5° | 180.0° |
| C51 | C56 | C55 | C54 | 0.8° | 0.1° |
| C51 | C56 | C55 | H70 | 180.0° | 180.0° |
| H66 | C51 | C52 | C53 | 179.5° | 179.7° |
| H66 | C51 | C52 | H67 | 0.5° | 0.2° |
| H66 | C51 | C56 | C55 | 179.0° | 179.8° |
| H66 | C51 | C56 | H70 | 1.0° | 0.3° |
| C52 | C53 | C54 | H68 | 180.0° | 180.0° |
| C52 | C53 | C54 | C55 | 0.3° | 0.0° |
| C52 | C53 | C54 | H69 | 179.7° | 179.9° |
| H67 | C52 | C53 | C54 | 179.9° | 180.0° |
| H67 | C52 | C53 | H68 | 0.1° | 0.0° |
| C53 | C54 | C55 | H69 | 180.0° | 179.9° |
| C53 | C54 | C55 | C56 | 0.2° | 0.0° |
| H68 | C53 | C54 | C55 | 179.7° | 180.0° |
| H68 | C53 | C54 | H69 | 0.3° | 0.0° |
| C54 | C55 | C56 | H70 | 179.2° | 180.0° |
| H69 | C54 | C55 | C56 | 179.9° | 180.0° |
| C57 | N9 | C58 | C43 | 177.4° | 179.9° |
| C57 | N9 | C58 | C60 | 22.2° | 45.1° |
| C57 | N9 | C58 | C59 | 109.3° | 74.7° |
| N9 | C57 | H71 | H72 | 120.0° | 120.0° |
| N9 | C57 | H71 | H73 | 120.0° | 120.0° |
| N9 | C57 | H72 | H73 | 120.0° | 120.0° |
| C57 | N9 | C58 | H74 | 137.7° | 165.5° |
| N9 | C58 | C60 | C59 | 125.1° | 119.5° |
| N9 | C58 | C60 | H74 | 116.1° | 120.3° |
| N9 | C58 | C60 | C61 | 145.7° | 65.0° |
| N9 | C58 | C59 | H74 | 113.5° | 119.8° |
| N9 | C58 | C59 | O12 | 48.8° | 58.1° |
| C58 | N9 | C57 | H71 | 180.0° | 147.3° |
| C58 | N9 | C57 | H72 | 60.0° | 92.7° |
| C58 | N9 | C57 | H73 | 60.0° | 27.3° |
| N9 | C58 | C60 | H75 | 25.2° | 55.0° |
| N9 | C58 | C60 | H76 | 93.9° | 175.0° |
| N9 | C58 | C59 | N10 | 130.8° | 121.8° |
| C58 | C60 | C61 | H75 | 120.5° | 120.0° |
| C58 | C60 | C61 | H76 | 120.4° | 120.0° |
| C60 | C58 | C59 | H74 | 118.8° | 120.3° |
| C60 | C58 | C59 | O12 | 78.9° | 61.7° |
| C58 | C60 | C61 | C62 | 63.6° | 180.0° |
| C58 | C60 | H75 | H76 | 118.7° | 120.0° |
| C58 | C60 | C61 | H77 | 176.0° | 60.0° |
| C58 | C60 | C61 | H78 | 56.8° | 60.0° |
| C60 | C58 | N9 | C43 | 160.4° | 134.8° |
| C60 | C58 | C59 | N10 | 101.5° | 118.4° |
| C61 | C60 | C58 | C59 | 89.2° | 175.6° |
| C60 | C61 | C62 | O13 | 37.0° | 0.0° |
| C60 | C61 | C62 | H77 | 120.5° | 120.0° |
| C60 | C61 | C62 | H78 | 120.5° | 120.0° |
| C60 | C61 | C62 | O14 | 142.6° | 180.0° |
| C61 | C60 | C58 | H74 | 29.6° | 55.3° |
| C61 | C60 | H75 | H76 | 118.7° | 120.0° |
| C60 | C61 | H77 | H78 | 118.7° | 120.0° |
| C58 | C59 | O12 | N10 | 179.6° | 179.9° |
| C59 | C58 | C60 | H75 | 150.3° | 64.5° |
| C59 | C58 | C60 | H76 | 31.2° | 55.5° |
| C58 | C59 | N10 | C63 | 178.5° | 179.4° |
| C58 | C59 | N10 | H84 | 1.4° | 0.5° |
| C59 | C58 | N9 | C43 | 68.0° | 105.4° |
| O13 | C62 | C61 | O14 | 179.6° | 179.9° |
| O13 | C62 | C61 | H77 | 83.5° | 120.0° |
| O13 | C62 | C61 | H78 | 157.5° | 120.0° |
| O13 | C62 | O14 | H79 | 0.0° | 0.0° |
| O12 | C59 | C58 | H74 | 162.3° | 177.9° |
| O12 | C59 | N10 | C63 | 1.9° | 0.7° |
| O12 | C59 | N10 | H84 | 178.1° | 179.4° |
| C62 | C61 | C60 | H75 | 56.8° | 60.0° |
| C62 | C61 | C60 | H76 | 176.0° | 60.0° |
| C62 | C61 | H77 | H78 | 118.6° | 120.0° |
| C61 | C62 | O14 | H79 | 179.6° | 180.0° |
| O14 | C62 | C61 | H77 | 96.9° | 60.0° |
| O14 | C62 | C61 | H78 | 22.2° | 60.0° |
| H71 | C57 | H72 | H73 | 120.0° | 120.0° |
| H71 | C57 | N9 | C43 | 2.6° | 32.6° |
| H72 | C57 | N9 | C43 | 117.4° | 87.4° |
| H73 | C57 | N9 | C43 | 122.6° | 152.6° |
| H74 | C58 | C60 | H75 | 90.9° | 175.3° |
| H74 | C58 | C60 | H76 | 150.0° | 64.7° |
| H74 | C58 | N9 | C43 | 44.9° | 14.5° |
| H74 | C58 | C59 | N10 | 17.3° | 1.9° |
| H75 | C60 | C61 | H77 | 63.6° | 180.0° |
| H75 | C60 | C61 | H78 | 177.3° | 60.0° |
| H76 | C60 | C61 | H77 | 55.5° | 60.0° |
| H76 | C60 | C61 | H78 | 63.6° | 180.0° |
| N10 | C63 | C64 | H80 | 120.2° | 119.8° |
| N10 | C63 | C64 | H81 | 120.2° | 119.7° |
| N10 | C63 | H80 | H81 | 119.3° | 120.5° |
| N10 | C63 | C64 | H82 | 54.2° | 38.1° |
| N10 | C63 | C64 | H83 | 173.3° | 82.0° |
| C63 | N10 | H84 | C59 | 180.0° | 179.9° |
| N10 | C63 | C64 | C19 | 66.3° | 158.0° |
| C64 | C63 | H80 | H81 | 119.3° | 120.4° |
| C63 | C64 | H82 | H83 | 118.7° | 120.1° |
| C63 | C64 | H82 | C19 | 122.6° | 119.9° |
| C63 | C64 | H83 | C19 | 122.6° | 119.9° |
| C64 | C63 | N10 | H84 | 64.3° | 79.2° |
| C64 | C63 | N10 | C59 | 115.7° | 100.9° |
| H80 | C63 | C64 | H82 | 66.0° | 81.6° |
| H80 | C63 | C64 | H83 | 53.1° | 158.3° |
| H80 | C63 | N10 | H84 | 55.9° | 40.5° |
| H80 | C63 | C64 | C19 | 173.5° | 38.3° |
| H80 | C63 | N10 | C59 | 124.1° | 139.4° |
| H81 | C63 | C64 | H82 | 174.4° | 157.9° |
| H81 | C63 | C64 | H83 | 66.5° | 37.8° |
| H81 | C63 | N10 | H84 | 175.4° | 161.0° |
| H81 | C63 | C64 | C19 | 54.0° | 82.2° |
| H81 | C63 | N10 | C59 | 4.5° | 18.8° |
| H82 | C64 | H83 | C19 | 118.8° | 120.0° |
| C15 | N3 | C19 | C64 | 173.3° | 157.6° |
| C64 | C19 | C20 | N4 | 106.9° | 136.9° |
