J37
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR | C54 | sing | 1.89Å | 1.89Å | |
| C54 | C53 | doub | 1.38Å | 1.39Å | Aromatic |
| C54 | C55 | sing | 1.38Å | 1.39Å | Aromatic |
| C53 | C52 | sing | 1.38Å | 1.39Å | Aromatic |
| C52 | C51 | doub | 1.38Å | 1.39Å | Aromatic |
| C55 | C56 | doub | 1.38Å | 1.39Å | Aromatic |
| C56 | C51 | sing | 1.38Å | 1.39Å | Aromatic |
| C51 | C50 | sing | 1.51Å | 1.51Å | |
| C50 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C11 | sing | 1.46Å | 1.46Å | |
| N2 | C12 | sing | 1.35Å | 1.33Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | N | sing | 1.46Å | 1.45Å | |
| C1 | C | sing | 1.51Å | 1.50Å | |
| N | C2 | sing | 1.35Å | 1.33Å | |
| C2 | O6 | doub | 1.22Å | 1.22Å | |
| C2 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | C3 | sing | 1.46Å | 1.45Å | |
| C3 | C7 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C7 | O5 | doub | 1.21Å | 1.22Å | |
| C7 | O4 | sing | 1.34Å | 1.33Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | O3 | doub | 1.21Å | 1.22Å | |
| C6 | O2 | sing | 1.34Å | 1.33Å | |
| C | O1 | sing | 1.34Å | 1.33Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C12 | O21 | doub | 1.21Å | 1.22Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | O7 | sing | 1.43Å | 1.43Å | |
| O7 | C15 | sing | 1.43Å | 1.43Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | O8 | sing | 1.43Å | 1.43Å | |
| O8 | C17 | sing | 1.43Å | 1.43Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | O9 | sing | 1.43Å | 1.43Å | |
| O9 | C19 | sing | 1.43Å | 1.43Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | O10 | sing | 1.43Å | 1.43Å | |
| O10 | C21 | sing | 1.43Å | 1.43Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | O11 | sing | 1.43Å | 1.43Å | |
| O11 | C23 | sing | 1.43Å | 1.43Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | O12 | sing | 1.43Å | 1.43Å | |
| O12 | C25 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | O13 | sing | 1.43Å | 1.43Å | |
| O13 | C27 | sing | 1.43Å | 1.43Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | O14 | sing | 1.43Å | 1.43Å | |
| O14 | C29 | sing | 1.43Å | 1.43Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | O15 | sing | 1.43Å | 1.43Å | |
| O15 | C31 | sing | 1.43Å | 1.43Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | O16 | sing | 1.43Å | 1.43Å | |
| O16 | C33 | sing | 1.43Å | 1.43Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C34 | O17 | sing | 1.43Å | 1.43Å | |
| O17 | C35 | sing | 1.43Å | 1.43Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C36 | O18 | sing | 1.43Å | 1.43Å | |
| O18 | C37 | sing | 1.43Å | 1.43Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C38 | N3 | sing | 1.46Å | 1.45Å | |
| N3 | C39 | sing | 1.35Å | 1.33Å | |
| C39 | O20 | doub | 1.21Å | 1.22Å | |
| C39 | C40 | sing | 1.51Å | 1.51Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C45 | C48 | sing | 1.54Å | 1.53Å | |
| C45 | S | sing | 1.84Å | 1.76Å | |
| C48 | C47 | sing | 1.53Å | 1.54Å | |
| C48 | N5 | sing | 1.47Å | 1.45Å | |
| C47 | C46 | sing | 1.54Å | 1.53Å | |
| C47 | N4 | sing | 1.47Å | 1.45Å | |
| C46 | S | sing | 1.84Å | 1.76Å | |
| N5 | C49 | sing | 1.34Å | 1.33Å | |
| C49 | O19 | doub | 1.22Å | 1.22Å | |
| C49 | N4 | sing | 1.34Å | 1.33Å | |
| C53 | H92 | sing | 1.08Å | 1.08Å | |
| C52 | H91 | sing | 1.08Å | 1.08Å | |
| C55 | H93 | sing | 1.08Å | 1.08Å | |
| C56 | H94 | sing | 1.08Å | 1.08Å | |
| C50 | H89 | sing | 1.09Å | 1.10Å | |
| C50 | H90 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H | sing | 1.09Å | 1.10Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| O2 | H12 | sing | 0.97Å | 0.95Å | |
| O1 | H5 | sing | 0.97Å | 0.95Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C22 | H40 | sing | 1.09Å | 1.10Å | |
| C22 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C25 | H46 | sing | 1.09Å | 1.10Å | |
| C25 | H47 | sing | 1.09Å | 1.10Å | |
| C26 | H48 | sing | 1.09Å | 1.10Å | |
| C26 | H49 | sing | 1.09Å | 1.10Å | |
| C27 | H50 | sing | 1.09Å | 1.10Å | |
| C27 | H51 | sing | 1.09Å | 1.10Å | |
| C28 | H52 | sing | 1.09Å | 1.10Å | |
| C28 | H53 | sing | 1.09Å | 1.10Å | |
| C29 | H54 | sing | 1.09Å | 1.10Å | |
| C29 | H55 | sing | 1.09Å | 1.10Å | |
| C30 | H56 | sing | 1.09Å | 1.10Å | |
| C30 | H57 | sing | 1.09Å | 1.10Å | |
| C31 | H58 | sing | 1.09Å | 1.10Å | |
| C31 | H59 | sing | 1.09Å | 1.10Å | |
| C32 | H60 | sing | 1.09Å | 1.10Å | |
| C32 | H61 | sing | 1.09Å | 1.10Å | |
| C33 | H62 | sing | 1.09Å | 1.10Å | |
| C33 | H63 | sing | 1.09Å | 1.10Å | |
| C34 | H64 | sing | 1.09Å | 1.10Å | |
| C34 | H65 | sing | 1.09Å | 1.10Å | |
| C35 | H66 | sing | 1.09Å | 1.10Å | |
| C35 | H67 | sing | 1.09Å | 1.10Å | |
| C36 | H68 | sing | 1.09Å | 1.10Å | |
| C36 | H69 | sing | 1.09Å | 1.10Å | |
| C37 | H70 | sing | 1.09Å | 1.10Å | |
| C37 | H71 | sing | 1.09Å | 1.10Å | |
| C38 | H72 | sing | 1.09Å | 1.10Å | |
| C38 | H73 | sing | 1.09Å | 1.10Å | |
| N3 | H74 | sing | 0.97Å | 1.00Å | |
| C40 | H75 | sing | 1.09Å | 1.10Å | |
| C40 | H76 | sing | 1.09Å | 1.10Å | |
| C41 | H77 | sing | 1.09Å | 1.10Å | |
| C41 | H78 | sing | 1.09Å | 1.10Å | |
| C42 | H79 | sing | 1.09Å | 1.10Å | |
| C42 | H80 | sing | 1.09Å | 1.10Å | |
| C43 | H81 | sing | 1.09Å | 1.10Å | |
| C43 | H82 | sing | 1.09Å | 1.10Å | |
| C44 | H83 | sing | 1.09Å | 1.10Å | |
| C44 | H84 | sing | 1.09Å | 1.10Å | |
| C45 | H2 | sing | 1.09Å | 1.10Å | |
| C48 | H4 | sing | 1.09Å | 1.10Å | |
| C47 | H3 | sing | 1.09Å | 1.10Å | |
| C46 | H86 | sing | 1.09Å | 1.10Å | |
| C46 | H85 | sing | 1.09Å | 1.10Å | |
| N5 | H88 | sing | 0.97Å | 1.00Å | |
| N4 | H87 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR | C54 | C53 | 120.0° | 120.0° |
| BR | C54 | C55 | 120.0° | 120.0° |
| C53 | C54 | C55 | 120.0° | 120.0° |
| C54 | C53 | C52 | 120.0° | 120.0° |
| C54 | C53 | H92 | 120.0° | 120.0° |
| C54 | C55 | C56 | 120.0° | 120.0° |
| C54 | C55 | H93 | 120.0° | 120.0° |
| C53 | C52 | C51 | 120.0° | 120.0° |
| C52 | C53 | H92 | 120.0° | 120.0° |
| C53 | C52 | H91 | 120.0° | 120.0° |
| C52 | C51 | C56 | 120.0° | 120.0° |
| C52 | C51 | C50 | 120.0° | 120.0° |
| C51 | C52 | H91 | 120.0° | 120.0° |
| C55 | C56 | C51 | 120.0° | 120.0° |
| C56 | C55 | H93 | 120.0° | 120.0° |
| C55 | C56 | H94 | 120.0° | 120.0° |
| C56 | C51 | C50 | 120.0° | 120.0° |
| C51 | C56 | H94 | 120.0° | 120.0° |
| C51 | C50 | N2 | 109.8° | 109.5° |
| C51 | C50 | H89 | 109.4° | 109.5° |
| C51 | C50 | H90 | 109.4° | 109.5° |
| C50 | N2 | C11 | 115.4° | 120.0° |
| C50 | N2 | C12 | 122.3° | 120.0° |
| N2 | C50 | H89 | 109.4° | 109.4° |
| N2 | C50 | H90 | 109.4° | 109.5° |
| C11 | N2 | C12 | 122.3° | 120.0° |
| N2 | C11 | C10 | 106.0° | 109.4° |
| N2 | C11 | H20 | 110.3° | 109.5° |
| N2 | C11 | H21 | 110.4° | 109.5° |
| N2 | C12 | O21 | 122.9° | 120.0° |
| N2 | C12 | C13 | 116.5° | 120.0° |
| C11 | C10 | C9 | 111.0° | 109.5° |
| C10 | C11 | H20 | 110.4° | 109.4° |
| C10 | C11 | H21 | 110.3° | 109.5° |
| C11 | C10 | H18 | 109.1° | 109.4° |
| C11 | C10 | H19 | 109.1° | 109.5° |
| C10 | C9 | C8 | 111.0° | 109.5° |
| C9 | C10 | H18 | 109.1° | 109.5° |
| C9 | C10 | H19 | 109.1° | 109.5° |
| C10 | C9 | H16 | 109.1° | 109.4° |
| C10 | C9 | H17 | 109.1° | 109.5° |
| C9 | C8 | C1 | 111.0° | 109.5° |
| C8 | C9 | H16 | 109.1° | 109.4° |
| C8 | C9 | H17 | 109.1° | 109.5° |
| C9 | C8 | H14 | 109.1° | 109.4° |
| C9 | C8 | H15 | 109.1° | 109.5° |
| C8 | C1 | N | 110.1° | 109.5° |
| C8 | C1 | C | 109.4° | 109.5° |
| C1 | C8 | H14 | 109.1° | 109.5° |
| C1 | C8 | H15 | 109.1° | 109.5° |
| C8 | C1 | H | 108.1° | 109.5° |
| N | C1 | C | 111.6° | 109.5° |
| C1 | N | C2 | 121.5° | 120.0° |
| N | C1 | H | 109.1° | 109.5° |
| C1 | N | H6 | 119.2° | 120.0° |
| C1 | C | O1 | 120.2° | 120.0° |
| C1 | C | O | 120.6° | 120.0° |
| C | C1 | H | 108.4° | 109.5° |
| N | C2 | O6 | 121.0° | 120.0° |
| N | C2 | N1 | 118.0° | 120.0° |
| C2 | N | H6 | 119.2° | 120.0° |
| O6 | C2 | N1 | 121.0° | 120.0° |
| C2 | N1 | C3 | 121.5° | 120.0° |
| C2 | N1 | H7 | 119.2° | 120.0° |
| N1 | C3 | C7 | 111.6° | 109.5° |
| N1 | C3 | C4 | 110.0° | 109.4° |
| C3 | N1 | H7 | 119.2° | 120.1° |
| N1 | C3 | H1 | 109.1° | 109.5° |
| C7 | C3 | C4 | 109.5° | 109.5° |
| C3 | C7 | O5 | 120.7° | 120.0° |
| C3 | C7 | O4 | 120.2° | 120.0° |
| C7 | C3 | H1 | 108.4° | 109.5° |
| C3 | C4 | C5 | 111.0° | 109.5° |
| C4 | C3 | H1 | 108.1° | 109.4° |
| C3 | C4 | H8 | 109.1° | 109.5° |
| C3 | C4 | H9 | 109.1° | 109.5° |
| O5 | C7 | O4 | 119.1° | 120.0° |
| C7 | O4 | H13 | 109.5° | 117.0° |
| C4 | C5 | C6 | 109.7° | 109.5° |
| C5 | C4 | H8 | 109.1° | 109.5° |
| C5 | C4 | H9 | 109.1° | 109.5° |
| C4 | C5 | H10 | 109.4° | 109.5° |
| C4 | C5 | H11 | 109.4° | 109.5° |
| C5 | C6 | O3 | 120.5° | 119.9° |
| C5 | C6 | O2 | 120.5° | 120.1° |
| C6 | C5 | H10 | 109.4° | 109.5° |
| C6 | C5 | H11 | 109.4° | 109.5° |
| O3 | C6 | O2 | 119.0° | 120.0° |
| C6 | O2 | H12 | 109.5° | 117.0° |
| O1 | C | O | 119.2° | 120.0° |
| C | O1 | H5 | 109.5° | 117.0° |
| O21 | C12 | C13 | 120.6° | 120.0° |
| C12 | C13 | C14 | 109.9° | 109.5° |
| C12 | C13 | H22 | 109.4° | 109.5° |
| C12 | C13 | H23 | 109.3° | 109.5° |
| C13 | C14 | O7 | 109.7° | 109.5° |
| C14 | C13 | H22 | 109.3° | 109.5° |
| C14 | C13 | H23 | 109.4° | 109.4° |
| C13 | C14 | H24 | 109.4° | 109.5° |
| C13 | C14 | H25 | 109.4° | 109.5° |
| C14 | O7 | C15 | 111.8° | 114.0° |
| O7 | C14 | H24 | 109.4° | 109.5° |
| O7 | C14 | H25 | 109.4° | 109.5° |
| O7 | C15 | C16 | 109.7° | 109.5° |
| O7 | C15 | H26 | 109.4° | 109.4° |
| O7 | C15 | H27 | 109.4° | 109.5° |
| C15 | C16 | O8 | 109.7° | 109.5° |
| C16 | C15 | H26 | 109.4° | 109.5° |
| C16 | C15 | H27 | 109.4° | 109.5° |
| C15 | C16 | H28 | 109.4° | 109.4° |
| C15 | C16 | H29 | 109.4° | 109.5° |
| C16 | O8 | C17 | 111.8° | 114.0° |
| O8 | C16 | H28 | 109.4° | 109.5° |
| O8 | C16 | H29 | 109.4° | 109.5° |
| O8 | C17 | C18 | 109.7° | 109.5° |
| O8 | C17 | H30 | 109.4° | 109.5° |
| O8 | C17 | H31 | 109.4° | 109.5° |
| C17 | C18 | O9 | 109.7° | 109.4° |
| C18 | C17 | H30 | 109.4° | 109.5° |
| C18 | C17 | H31 | 109.4° | 109.5° |
| C17 | C18 | H32 | 109.4° | 109.5° |
| C17 | C18 | H33 | 109.4° | 109.5° |
| C18 | O9 | C19 | 111.8° | 114.0° |
| O9 | C18 | H32 | 109.4° | 109.5° |
| O9 | C18 | H33 | 109.4° | 109.5° |
| O9 | C19 | C20 | 109.7° | 109.5° |
| O9 | C19 | H34 | 109.4° | 109.4° |
| O9 | C19 | H35 | 109.4° | 109.5° |
| C19 | C20 | O10 | 109.7° | 109.5° |
| C20 | C19 | H34 | 109.4° | 109.5° |
| C20 | C19 | H35 | 109.4° | 109.5° |
| C19 | C20 | H36 | 109.4° | 109.4° |
| C19 | C20 | H37 | 109.4° | 109.4° |
| C20 | O10 | C21 | 111.8° | 114.0° |
| O10 | C20 | H36 | 109.4° | 109.5° |
| O10 | C20 | H37 | 109.4° | 109.5° |
| O10 | C21 | C22 | 109.7° | 109.5° |
| O10 | C21 | H38 | 109.4° | 109.5° |
| O10 | C21 | H39 | 109.4° | 109.4° |
| C21 | C22 | O11 | 109.8° | 109.5° |
| C22 | C21 | H38 | 109.4° | 109.5° |
| C22 | C21 | H39 | 109.4° | 109.5° |
| C21 | C22 | H40 | 109.4° | 109.5° |
| C21 | C22 | H41 | 109.4° | 109.5° |
| C22 | O11 | C23 | 111.8° | 114.0° |
| O11 | C22 | H40 | 109.4° | 109.4° |
| O11 | C22 | H41 | 109.4° | 109.5° |
| O11 | C23 | C24 | 109.7° | 109.5° |
| O11 | C23 | H42 | 109.4° | 109.5° |
| O11 | C23 | H43 | 109.4° | 109.5° |
| C23 | C24 | O12 | 109.7° | 109.4° |
| C24 | C23 | H42 | 109.4° | 109.5° |
| C24 | C23 | H43 | 109.4° | 109.5° |
| C23 | C24 | H44 | 109.4° | 109.5° |
| C23 | C24 | H45 | 109.4° | 109.5° |
| C24 | O12 | C25 | 111.8° | 113.9° |
| O12 | C24 | H44 | 109.4° | 109.5° |
| O12 | C24 | H45 | 109.4° | 109.5° |
| O12 | C25 | C26 | 109.7° | 109.5° |
| O12 | C25 | H46 | 109.4° | 109.5° |
| O12 | C25 | H47 | 109.4° | 109.5° |
| C25 | C26 | O13 | 109.8° | 109.4° |
| C26 | C25 | H46 | 109.4° | 109.5° |
| C26 | C25 | H47 | 109.4° | 109.4° |
| C25 | C26 | H48 | 109.4° | 109.5° |
| C25 | C26 | H49 | 109.4° | 109.5° |
| C26 | O13 | C27 | 111.8° | 114.0° |
| O13 | C26 | H48 | 109.4° | 109.5° |
| O13 | C26 | H49 | 109.4° | 109.5° |
| O13 | C27 | C28 | 109.7° | 109.5° |
| O13 | C27 | H50 | 109.4° | 109.5° |
| O13 | C27 | H51 | 109.4° | 109.5° |
| C27 | C28 | O14 | 109.7° | 109.5° |
| C28 | C27 | H50 | 109.4° | 109.5° |
| C28 | C27 | H51 | 109.4° | 109.5° |
| C27 | C28 | H52 | 109.4° | 109.5° |
| C27 | C28 | H53 | 109.4° | 109.5° |
| C28 | O14 | C29 | 111.8° | 114.0° |
| O14 | C28 | H52 | 109.4° | 109.5° |
| O14 | C28 | H53 | 109.4° | 109.5° |
| O14 | C29 | C30 | 109.7° | 109.4° |
| O14 | C29 | H54 | 109.4° | 109.4° |
| O14 | C29 | H55 | 109.4° | 109.5° |
| C29 | C30 | O15 | 109.8° | 109.5° |
| C30 | C29 | H54 | 109.4° | 109.5° |
| C30 | C29 | H55 | 109.4° | 109.5° |
| C29 | C30 | H56 | 109.4° | 109.4° |
| C29 | C30 | H57 | 109.4° | 109.5° |
| C30 | O15 | C31 | 111.8° | 114.0° |
| O15 | C30 | H56 | 109.4° | 109.5° |
| O15 | C30 | H57 | 109.4° | 109.5° |
| O15 | C31 | C32 | 109.8° | 109.5° |
| O15 | C31 | H58 | 109.4° | 109.5° |
| O15 | C31 | H59 | 109.4° | 109.5° |
| C31 | C32 | O16 | 109.8° | 109.5° |
| C32 | C31 | H58 | 109.4° | 109.5° |
| C32 | C31 | H59 | 109.4° | 109.5° |
| C31 | C32 | H60 | 109.4° | 109.5° |
| C31 | C32 | H61 | 109.4° | 109.5° |
| C32 | O16 | C33 | 111.8° | 114.0° |
| O16 | C32 | H60 | 109.4° | 109.5° |
| O16 | C32 | H61 | 109.4° | 109.4° |
| O16 | C33 | C34 | 109.8° | 109.5° |
| O16 | C33 | H62 | 109.4° | 109.5° |
| O16 | C33 | H63 | 109.4° | 109.5° |
| C33 | C34 | O17 | 109.7° | 109.5° |
| C34 | C33 | H62 | 109.4° | 109.5° |
| C34 | C33 | H63 | 109.4° | 109.5° |
| C33 | C34 | H64 | 109.4° | 109.4° |
| C33 | C34 | H65 | 109.4° | 109.5° |
| C34 | O17 | C35 | 111.8° | 114.0° |
| O17 | C34 | H64 | 109.4° | 109.5° |
| O17 | C34 | H65 | 109.4° | 109.5° |
| O17 | C35 | C36 | 109.7° | 109.5° |
| O17 | C35 | H66 | 109.4° | 109.4° |
| O17 | C35 | H67 | 109.4° | 109.5° |
| C35 | C36 | O18 | 109.8° | 109.4° |
| C36 | C35 | H66 | 109.4° | 109.5° |
| C36 | C35 | H67 | 109.4° | 109.5° |
| C35 | C36 | H68 | 109.4° | 109.5° |
| C35 | C36 | H69 | 109.4° | 109.4° |
| C36 | O18 | C37 | 111.8° | 114.0° |
| O18 | C36 | H68 | 109.4° | 109.5° |
| O18 | C36 | H69 | 109.4° | 109.5° |
| O18 | C37 | C38 | 109.7° | 109.5° |
| O18 | C37 | H70 | 109.4° | 109.5° |
| O18 | C37 | H71 | 109.4° | 109.4° |
| C37 | C38 | N3 | 111.8° | 109.5° |
| C38 | C37 | H70 | 109.4° | 109.5° |
| C38 | C37 | H71 | 109.4° | 109.5° |
| C37 | C38 | H72 | 108.9° | 109.4° |
| C37 | C38 | H73 | 108.9° | 109.5° |
| C38 | N3 | C39 | 121.5° | 120.0° |
| N3 | C38 | H72 | 108.9° | 109.5° |
| N3 | C38 | H73 | 108.9° | 109.5° |
| C38 | N3 | H74 | 119.3° | 120.1° |
| N3 | C39 | O20 | 123.0° | 120.0° |
| N3 | C39 | C40 | 116.5° | 120.0° |
| C39 | N3 | H74 | 119.2° | 120.0° |
| O20 | C39 | C40 | 120.5° | 120.0° |
| C39 | C40 | C41 | 109.7° | 109.5° |
| C39 | C40 | H75 | 109.4° | 109.4° |
| C39 | C40 | H76 | 109.4° | 109.5° |
| C40 | C41 | C42 | 111.0° | 109.5° |
| C41 | C40 | H75 | 109.4° | 109.5° |
| C41 | C40 | H76 | 109.4° | 109.5° |
| C40 | C41 | H77 | 109.1° | 109.5° |
| C40 | C41 | H78 | 109.1° | 109.5° |
| C41 | C42 | C43 | 111.0° | 109.5° |
| C42 | C41 | H77 | 109.1° | 109.4° |
| C42 | C41 | H78 | 109.1° | 109.5° |
| C41 | C42 | H79 | 109.1° | 109.5° |
| C41 | C42 | H80 | 109.1° | 109.5° |
| C42 | C43 | C44 | 111.0° | 109.5° |
| C43 | C42 | H79 | 109.1° | 109.4° |
| C43 | C42 | H80 | 109.1° | 109.5° |
| C42 | C43 | H81 | 109.1° | 109.4° |
| C42 | C43 | H82 | 109.1° | 109.5° |
| C43 | C44 | C45 | 111.0° | 109.5° |
| C44 | C43 | H81 | 109.1° | 109.5° |
| C44 | C43 | H82 | 109.1° | 109.5° |
| C43 | C44 | H83 | 109.1° | 109.5° |
| C43 | C44 | H84 | 109.1° | 109.5° |
| C44 | C45 | C48 | 113.5° | 110.8° |
| C44 | C45 | S | 110.0° | 110.7° |
| C45 | C44 | H83 | 109.1° | 109.4° |
| C45 | C44 | H84 | 109.1° | 109.5° |
| C44 | C45 | H2 | 109.9° | 110.6° |
| C48 | C45 | S | 106.2° | 102.7° |
| C45 | C48 | C47 | 112.6° | 112.4° |
| C45 | C48 | N5 | 113.4° | 109.2° |
| C48 | C45 | H2 | 109.8° | 110.8° |
| C45 | C48 | H4 | 109.2° | 110.3° |
| C45 | S | C46 | 101.9° | 94.8° |
| S | C45 | H2 | 107.1° | 110.9° |
| C47 | C48 | N5 | 102.1° | 104.0° |
| C48 | C47 | C46 | 113.2° | 112.4° |
| C48 | C47 | N4 | 102.4° | 104.0° |
| C47 | C48 | H4 | 109.1° | 110.2° |
| C48 | C47 | H3 | 109.5° | 110.3° |
| C48 | N5 | C49 | 113.4° | 109.1° |
| N5 | C48 | H4 | 110.2° | 110.6° |
| C48 | N5 | H88 | 123.3° | 125.4° |
| C46 | C47 | N4 | 111.3° | 109.2° |
| C47 | C46 | S | 106.1° | 102.7° |
| C46 | C47 | H3 | 109.6° | 110.2° |
| C47 | C46 | H86 | 110.3° | 110.8° |
| C47 | C46 | H85 | 110.3° | 110.7° |
| C47 | N4 | C49 | 113.3° | 109.0° |
| N4 | C47 | H3 | 110.7° | 110.6° |
| C47 | N4 | H87 | 123.3° | 125.5° |
| S | C46 | H86 | 110.3° | 110.8° |
| S | C46 | H85 | 110.3° | 110.7° |
| N5 | C49 | O19 | 125.6° | 123.1° |
| N5 | C49 | N4 | 108.7° | 113.9° |
| C49 | N5 | H88 | 123.3° | 125.5° |
| O19 | C49 | N4 | 125.6° | 123.0° |
| C49 | N4 | H87 | 123.4° | 125.5° |
| H89 | C50 | H90 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.5° |
| H18 | C10 | H19 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.4° | 109.5° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.4° |
| H10 | C5 | H11 | 109.4° | 109.4° |
| H22 | C13 | H23 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.5° | 109.5° |
| H26 | C15 | H27 | 109.5° | 109.5° |
| H28 | C16 | H29 | 109.5° | 109.4° |
| H30 | C17 | H31 | 109.5° | 109.4° |
| H32 | C18 | H33 | 109.5° | 109.5° |
| H34 | C19 | H35 | 109.5° | 109.4° |
| H36 | C20 | H37 | 109.5° | 109.5° |
| H38 | C21 | H39 | 109.5° | 109.5° |
| H40 | C22 | H41 | 109.5° | 109.5° |
| H42 | C23 | H43 | 109.5° | 109.4° |
| H44 | C24 | H45 | 109.5° | 109.4° |
| H46 | C25 | H47 | 109.5° | 109.5° |
| H48 | C26 | H49 | 109.5° | 109.5° |
| H50 | C27 | H51 | 109.5° | 109.4° |
| H52 | C28 | H53 | 109.5° | 109.4° |
| H54 | C29 | H55 | 109.5° | 109.5° |
| H56 | C30 | H57 | 109.4° | 109.5° |
| H58 | C31 | H59 | 109.5° | 109.5° |
| H60 | C32 | H61 | 109.5° | 109.5° |
| H62 | C33 | H63 | 109.4° | 109.5° |
| H64 | C34 | H65 | 109.5° | 109.5° |
| H66 | C35 | H67 | 109.5° | 109.5° |
| H68 | C36 | H69 | 109.5° | 109.5° |
| H70 | C37 | H71 | 109.5° | 109.4° |
| H72 | C38 | H73 | 109.5° | 109.5° |
| H75 | C40 | H76 | 109.5° | 109.5° |
| H77 | C41 | H78 | 109.4° | 109.4° |
| H79 | C42 | H80 | 109.4° | 109.5° |
| H81 | C43 | H82 | 109.5° | 109.5° |
| H83 | C44 | H84 | 109.5° | 109.5° |
| H86 | C46 | H85 | 109.4° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | C54 | C53 | C55 | 179.9° | 179.7° |
| BR | C54 | C53 | C52 | 180.0° | 180.0° |
| BR | C54 | C55 | C56 | 179.9° | 180.0° |
| BR | C54 | C53 | H92 | 0.0° | 0.1° |
| BR | C54 | C55 | H93 | 0.1° | 0.0° |
| C54 | C53 | C52 | H92 | 180.0° | 179.9° |
| C54 | C53 | C52 | C51 | 0.1° | 0.0° |
| C53 | C54 | C55 | C56 | 0.0° | 0.3° |
| C54 | C53 | C52 | H91 | 179.9° | 180.0° |
| C53 | C54 | C55 | H93 | 180.0° | 179.7° |
| C55 | C54 | C53 | C52 | 0.1° | 0.3° |
| C54 | C55 | C56 | H93 | 180.0° | 180.0° |
| C54 | C55 | C56 | C51 | 0.1° | 0.0° |
| C55 | C54 | C53 | H92 | 179.9° | 179.8° |
| C54 | C55 | C56 | H94 | 179.9° | 180.0° |
| C53 | C52 | C51 | H91 | 180.0° | 180.0° |
| C53 | C52 | C51 | C56 | 0.0° | 0.3° |
| C53 | C52 | C51 | C50 | 180.0° | 180.0° |
| C52 | C51 | C56 | C55 | 0.1° | 0.3° |
| C52 | C51 | C56 | C50 | 180.0° | 179.7° |
| C52 | C51 | C50 | N2 | 63.8° | 95.1° |
| C51 | C52 | C53 | H92 | 179.9° | 179.9° |
| C52 | C51 | C56 | H94 | 179.9° | 179.7° |
| C52 | C51 | C50 | H89 | 56.2° | 145.0° |
| C52 | C51 | C50 | H90 | 176.1° | 24.9° |
| C55 | C56 | C51 | H94 | 180.0° | 180.0° |
| C55 | C56 | C51 | C50 | 179.9° | 180.0° |
| C56 | C51 | C50 | N2 | 116.2° | 84.7° |
| C56 | C51 | C52 | H91 | 180.0° | 179.7° |
| C51 | C56 | C55 | H93 | 179.9° | 180.0° |
| C56 | C51 | C50 | H89 | 123.8° | 35.2° |
| C56 | C51 | C50 | H90 | 3.9° | 155.3° |
| C51 | C50 | N2 | H89 | 120.1° | 120.0° |
| C51 | C50 | N2 | H90 | 120.0° | 120.0° |
| C51 | C50 | N2 | C11 | 52.0° | 84.4° |
| C51 | C50 | N2 | C12 | 128.0° | 95.5° |
| C50 | C51 | C52 | H91 | 0.0° | 0.0° |
| C50 | C51 | C56 | H94 | 0.1° | 0.1° |
| C51 | C50 | H89 | H90 | 119.9° | 120.1° |
| C50 | N2 | C11 | C12 | 180.0° | 179.9° |
| C50 | N2 | C11 | C10 | 111.7° | 90.1° |
| C50 | N2 | C12 | O21 | 64.0° | 175.0° |
| C50 | N2 | C12 | C13 | 116.0° | 5.0° |
| N2 | C50 | H89 | H90 | 119.9° | 120.0° |
| C50 | N2 | C11 | H20 | 128.8° | 150.0° |
| C50 | N2 | C11 | H21 | 7.7° | 29.9° |
| N2 | C11 | C10 | H20 | 119.4° | 120.0° |
| N2 | C11 | C10 | H21 | 119.5° | 120.0° |
| N2 | C11 | C10 | C9 | 157.3° | 180.0° |
| C11 | N2 | C12 | O21 | 116.0° | 5.2° |
| C11 | N2 | C12 | C13 | 64.0° | 174.9° |
| C11 | N2 | C50 | H89 | 172.1° | 35.6° |
| C11 | N2 | C50 | H90 | 68.0° | 155.6° |
| N2 | C11 | H20 | H21 | 121.6° | 120.1° |
| N2 | C11 | C10 | H18 | 37.1° | 60.0° |
| N2 | C11 | C10 | H19 | 82.4° | 60.0° |
| C12 | N2 | C11 | C10 | 68.3° | 90.0° |
| N2 | C12 | O21 | C13 | 180.0° | 179.9° |
| N2 | C12 | C13 | C14 | 162.1° | 180.0° |
| C12 | N2 | C50 | H89 | 7.9° | 144.5° |
| C12 | N2 | C50 | H90 | 111.9° | 24.5° |
| C12 | N2 | C11 | H20 | 51.1° | 29.9° |
| C12 | N2 | C11 | H21 | 172.2° | 150.0° |
| N2 | C12 | C13 | H22 | 77.9° | 59.9° |
| N2 | C12 | C13 | H23 | 42.0° | 60.1° |
| C11 | C10 | C9 | H18 | 120.2° | 120.0° |
| C11 | C10 | C9 | H19 | 120.3° | 120.0° |
| C11 | C10 | C9 | C8 | 126.7° | 180.0° |
| C10 | C11 | H20 | H21 | 121.6° | 120.0° |
| C11 | C10 | H18 | H19 | 119.3° | 120.0° |
| C11 | C10 | C9 | H16 | 6.4° | 60.1° |
| C11 | C10 | C9 | H17 | 113.1° | 60.0° |
| C10 | C9 | C8 | H16 | 120.2° | 119.9° |
| C10 | C9 | C8 | H17 | 120.3° | 120.0° |
| C10 | C9 | C8 | C1 | 180.0° | 180.0° |
| C9 | C10 | C11 | H20 | 83.2° | 60.1° |
| C9 | C10 | C11 | H21 | 37.9° | 60.0° |
| C9 | C10 | H18 | H19 | 119.3° | 120.0° |
| C10 | C9 | H16 | H17 | 119.3° | 120.0° |
| C10 | C9 | C8 | H14 | 59.8° | 60.0° |
| C10 | C9 | C8 | H15 | 59.7° | 60.0° |
| C9 | C8 | C1 | H14 | 120.2° | 120.0° |
| C9 | C8 | C1 | H15 | 120.2° | 120.0° |
| C9 | C8 | C1 | N | 41.8° | 65.0° |
| C9 | C8 | C1 | C | 164.8° | 175.0° |
| C8 | C9 | C10 | H18 | 113.1° | 60.0° |
| C8 | C9 | C10 | H19 | 6.4° | 60.0° |
| C8 | C9 | H16 | H17 | 119.3° | 120.0° |
| C9 | C8 | H14 | H15 | 119.3° | 120.0° |
| C9 | C8 | C1 | H | 77.3° | 55.0° |
| C8 | C1 | N | C | 121.7° | 120.0° |
| C8 | C1 | N | H | 118.5° | 120.0° |
| C8 | C1 | C | H | 117.7° | 120.0° |
| C8 | C1 | N | C2 | 55.8° | 155.0° |
| C8 | C1 | C | O1 | 11.7° | 60.0° |
| C8 | C1 | C | O | 168.2° | 120.0° |
| C1 | C8 | C9 | H16 | 59.7° | 60.0° |
| C1 | C8 | C9 | H17 | 59.8° | 60.0° |
| C1 | C8 | H14 | H15 | 119.3° | 120.0° |
| C8 | C1 | N | H6 | 124.2° | 25.0° |
| N | C1 | C | H | 120.2° | 120.0° |
| C1 | N | C2 | H6 | 180.0° | 180.0° |
| C1 | N | C2 | O6 | 0.1° | 0.0° |
| C1 | N | C2 | N1 | 180.0° | 180.0° |
| N | C1 | C | O1 | 133.8° | 180.0° |
| N | C1 | C | O | 46.1° | 0.0° |
| N | C1 | C8 | H14 | 162.0° | 175.0° |
| N | C1 | C8 | H15 | 78.4° | 55.0° |
| C | C1 | N | C2 | 65.9° | 85.0° |
| C1 | C | O1 | O | 179.9° | 180.0° |
| C | C1 | C8 | H14 | 75.0° | 55.0° |
| C | C1 | C8 | H15 | 44.6° | 65.0° |
| C | C1 | N | H6 | 114.1° | 95.0° |
| C1 | C | O1 | H5 | 180.0° | 180.0° |
| N | C2 | O6 | N1 | 179.9° | 180.0° |
| N | C2 | N1 | C3 | 180.0° | 180.0° |
| C2 | N | C1 | H | 174.3° | 35.0° |
| N | C2 | N1 | H7 | 0.1° | 0.0° |
| O6 | C2 | N1 | C3 | 0.1° | 0.0° |
| O6 | C2 | N | H6 | 179.9° | 180.0° |
| O6 | C2 | N1 | H7 | 179.9° | 180.0° |
| C2 | N1 | C3 | H7 | 180.0° | 180.0° |
| C2 | N1 | C3 | C7 | 172.6° | 85.0° |
| C2 | N1 | C3 | C4 | 65.6° | 155.0° |
| N1 | C2 | N | H6 | 0.0° | 0.0° |
| C2 | N1 | C3 | H1 | 52.8° | 35.1° |
| N1 | C3 | C7 | C4 | 122.1° | 120.0° |
| N1 | C3 | C7 | H1 | 120.2° | 120.1° |
| N1 | C3 | C4 | H1 | 119.0° | 120.0° |
| N1 | C3 | C7 | O5 | 20.6° | 0.0° |
| N1 | C3 | C7 | O4 | 159.4° | 180.0° |
| N1 | C3 | C4 | C5 | 175.1° | 65.0° |
| N1 | C3 | C4 | H8 | 64.7° | 55.0° |
| N1 | C3 | C4 | H9 | 54.9° | 175.0° |
| C7 | C3 | C4 | H1 | 117.9° | 120.0° |
| C3 | C7 | O5 | O4 | 180.0° | 180.0° |
| C7 | C3 | C4 | C5 | 52.0° | 175.0° |
| C7 | C3 | N1 | H7 | 7.3° | 95.0° |
| C3 | C7 | O4 | H13 | 180.0° | 180.0° |
| C7 | C3 | C4 | H8 | 172.2° | 65.0° |
| C7 | C3 | C4 | H9 | 68.2° | 55.0° |
| C4 | C3 | C7 | O5 | 101.5° | 120.0° |
| C4 | C3 | C7 | O4 | 78.5° | 60.0° |
| C3 | C4 | C5 | H8 | 120.2° | 120.0° |
| C3 | C4 | C5 | H9 | 120.2° | 120.0° |
| C3 | C4 | C5 | C6 | 176.5° | 180.0° |
| C4 | C3 | N1 | H7 | 114.4° | 25.0° |
| C3 | C4 | H8 | H9 | 119.3° | 120.0° |
| C3 | C4 | C5 | H10 | 63.4° | 60.0° |
| C3 | C4 | C5 | H11 | 56.5° | 60.0° |
| O5 | C7 | C3 | H1 | 140.8° | 120.0° |
| O5 | C7 | O4 | H13 | 0.0° | 0.0° |
| O4 | C7 | C3 | H1 | 39.2° | 59.9° |
| C4 | C5 | C6 | H10 | 120.0° | 120.0° |
| C4 | C5 | C6 | H11 | 120.1° | 120.0° |
| C4 | C5 | C6 | O3 | 68.8° | 0.0° |
| C4 | C5 | C6 | O2 | 111.2° | 180.0° |
| C5 | C4 | C3 | H1 | 65.9° | 55.0° |
| C5 | C4 | H8 | H9 | 119.3° | 120.0° |
| C4 | C5 | H10 | H11 | 119.9° | 120.0° |
| C5 | C6 | O3 | O2 | 179.9° | 180.0° |
| C6 | C5 | C4 | H8 | 56.3° | 60.0° |
| C6 | C5 | C4 | H9 | 63.2° | 60.0° |
| C6 | C5 | H10 | H11 | 119.9° | 120.0° |
| C5 | C6 | O2 | H12 | 179.9° | 180.0° |
| O3 | C6 | C5 | H10 | 171.1° | 120.0° |
| O3 | C6 | C5 | H11 | 51.2° | 120.0° |
| O3 | C6 | O2 | H12 | 0.0° | 0.0° |
| O2 | C6 | C5 | H10 | 8.8° | 60.0° |
| O2 | C6 | C5 | H11 | 128.7° | 60.0° |
| O1 | C | C1 | H | 106.0° | 60.0° |
| O | C | C1 | H | 74.1° | 120.0° |
| O | C | O1 | H5 | 0.0° | 0.0° |
| O21 | C12 | C13 | C14 | 18.0° | 0.1° |
| O21 | C12 | C13 | H22 | 102.1° | 120.0° |
| O21 | C12 | C13 | H23 | 138.0° | 120.0° |
| C12 | C13 | C14 | H22 | 120.1° | 120.0° |
| C12 | C13 | C14 | H23 | 120.0° | 120.0° |
| C12 | C13 | C14 | O7 | 157.5° | 180.0° |
| C12 | C13 | H22 | H23 | 119.8° | 120.0° |
| C12 | C13 | C14 | H24 | 82.5° | 60.0° |
| C12 | C13 | C14 | H25 | 37.4° | 60.0° |
| C13 | C14 | O7 | H24 | 120.0° | 120.0° |
| C13 | C14 | O7 | H25 | 120.0° | 120.0° |
| C13 | C14 | O7 | C15 | 80.7° | 180.0° |
| C14 | C13 | H22 | H23 | 119.8° | 119.9° |
| C13 | C14 | H24 | H25 | 119.9° | 120.0° |
| C14 | O7 | C15 | C16 | 153.7° | 180.0° |
| O7 | C14 | C13 | H22 | 37.4° | 60.0° |
| O7 | C14 | C13 | H23 | 82.5° | 60.0° |
| O7 | C14 | H24 | H25 | 119.9° | 120.0° |
| C14 | O7 | C15 | H26 | 86.3° | 60.0° |
| C14 | O7 | C15 | H27 | 33.6° | 60.0° |
| O7 | C15 | C16 | H26 | 120.0° | 120.0° |
| O7 | C15 | C16 | H27 | 120.0° | 120.0° |
| O7 | C15 | C16 | O8 | 139.3° | 65.0° |
| C15 | O7 | C14 | H24 | 159.3° | 60.0° |
| C15 | O7 | C14 | H25 | 39.4° | 60.0° |
| O7 | C15 | H26 | H27 | 119.9° | 120.0° |
| O7 | C15 | C16 | H28 | 100.6° | 175.0° |
| O7 | C15 | C16 | H29 | 19.3° | 55.1° |
| C15 | C16 | O8 | H28 | 120.1° | 120.0° |
| C15 | C16 | O8 | H29 | 120.0° | 120.0° |
| C15 | C16 | O8 | C17 | 165.4° | 180.0° |
| C16 | C15 | H26 | H27 | 119.9° | 120.0° |
| C15 | C16 | H28 | H29 | 119.9° | 120.0° |
| C16 | O8 | C17 | C18 | 154.4° | 180.0° |
| O8 | C16 | C15 | H26 | 19.3° | 55.0° |
| O8 | C16 | C15 | H27 | 100.6° | 175.0° |
| O8 | C16 | H28 | H29 | 119.9° | 120.0° |
| C16 | O8 | C17 | H30 | 85.6° | 60.0° |
| C16 | O8 | C17 | H31 | 34.4° | 60.0° |
| O8 | C17 | C18 | H30 | 120.0° | 120.0° |
| O8 | C17 | C18 | H31 | 120.0° | 120.0° |
| O8 | C17 | C18 | O9 | 173.0° | 65.0° |
| C17 | O8 | C16 | H28 | 45.3° | 60.0° |
| C17 | O8 | C16 | H29 | 74.6° | 60.0° |
| O8 | C17 | H30 | H31 | 119.9° | 120.0° |
| O8 | C17 | C18 | H32 | 67.0° | 175.0° |
| O8 | C17 | C18 | H33 | 52.9° | 54.9° |
| C17 | C18 | O9 | H32 | 120.0° | 120.0° |
| C17 | C18 | O9 | H33 | 120.1° | 120.0° |
| C17 | C18 | O9 | C19 | 174.0° | 180.0° |
| C18 | C17 | H30 | H31 | 119.9° | 120.0° |
| C17 | C18 | H32 | H33 | 119.9° | 120.0° |
| C18 | O9 | C19 | C20 | 168.4° | 180.0° |
| O9 | C18 | C17 | H30 | 52.9° | 55.0° |
| O9 | C18 | C17 | H31 | 67.0° | 175.0° |
| O9 | C18 | H32 | H33 | 119.9° | 120.0° |
| C18 | O9 | C19 | H34 | 48.4° | 60.0° |
| C18 | O9 | C19 | H35 | 71.5° | 59.9° |
| O9 | C19 | C20 | H34 | 120.1° | 119.9° |
| O9 | C19 | C20 | H35 | 120.0° | 120.1° |
| O9 | C19 | C20 | O10 | 158.1° | 65.0° |
| C19 | O9 | C18 | H32 | 66.0° | 60.1° |
| C19 | O9 | C18 | H33 | 53.9° | 60.0° |
| O9 | C19 | H34 | H35 | 119.9° | 120.0° |
| O9 | C19 | C20 | H36 | 81.8° | 175.0° |
| O9 | C19 | C20 | H37 | 38.1° | 55.0° |
| C19 | C20 | O10 | H36 | 120.0° | 120.0° |
| C19 | C20 | O10 | H37 | 120.0° | 120.0° |
| C19 | C20 | O10 | C21 | 159.2° | 180.0° |
| C20 | C19 | H34 | H35 | 119.9° | 120.0° |
| C19 | C20 | H36 | H37 | 119.9° | 119.9° |
| C20 | O10 | C21 | C22 | 158.8° | 180.0° |
| O10 | C20 | C19 | H34 | 38.1° | 55.0° |
| O10 | C20 | C19 | H35 | 81.8° | 174.9° |
| O10 | C20 | H36 | H37 | 119.9° | 120.0° |
| C20 | O10 | C21 | H38 | 38.8° | 60.0° |
| C20 | O10 | C21 | H39 | 81.1° | 60.0° |
| O10 | C21 | C22 | H38 | 120.1° | 120.0° |
| O10 | C21 | C22 | H39 | 120.0° | 119.9° |
| O10 | C21 | C22 | O11 | 164.7° | 65.0° |
| C21 | O10 | C20 | H36 | 39.2° | 60.0° |
| C21 | O10 | C20 | H37 | 80.8° | 60.0° |
| O10 | C21 | H38 | H39 | 119.9° | 120.0° |
| O10 | C21 | C22 | H40 | 44.7° | 175.0° |
| O10 | C21 | C22 | H41 | 75.2° | 55.0° |
| C21 | C22 | O11 | H40 | 120.0° | 120.0° |
| C21 | C22 | O11 | H41 | 120.0° | 120.0° |
| C21 | C22 | O11 | C23 | 175.4° | 180.0° |
| C22 | C21 | H38 | H39 | 119.9° | 120.0° |
| C21 | C22 | H40 | H41 | 119.9° | 120.1° |
| C22 | O11 | C23 | C24 | 178.1° | 180.0° |
| O11 | C22 | C21 | H38 | 75.2° | 55.0° |
| O11 | C22 | C21 | H39 | 44.7° | 175.0° |
| O11 | C22 | H40 | H41 | 119.9° | 119.9° |
| C22 | O11 | C23 | H42 | 61.9° | 60.0° |
| C22 | O11 | C23 | H43 | 58.1° | 60.0° |
| O11 | C23 | C24 | H42 | 120.1° | 120.0° |
| O11 | C23 | C24 | H43 | 120.1° | 120.0° |
| O11 | C23 | C24 | O12 | 180.0° | 65.0° |
| C23 | O11 | C22 | H40 | 55.4° | 60.0° |
| C23 | O11 | C22 | H41 | 64.5° | 60.0° |
| O11 | C23 | H42 | H43 | 119.9° | 120.0° |
| O11 | C23 | C24 | H44 | 60.0° | 174.9° |
| O11 | C23 | C24 | H45 | 59.9° | 55.0° |
| C23 | C24 | O12 | H44 | 120.1° | 120.0° |
| C23 | C24 | O12 | H45 | 120.0° | 120.0° |
| C23 | C24 | O12 | C25 | 179.9° | 180.0° |
| C24 | C23 | H42 | H43 | 119.8° | 120.0° |
| C23 | C24 | H44 | H45 | 119.9° | 120.0° |
| C24 | O12 | C25 | C26 | 179.7° | 180.0° |
| O12 | C24 | C23 | H42 | 59.9° | 55.0° |
| O12 | C24 | C23 | H43 | 60.0° | 175.0° |
| O12 | C24 | H44 | H45 | 119.9° | 120.0° |
| C24 | O12 | C25 | H46 | 59.6° | 60.0° |
| C24 | O12 | C25 | H47 | 60.3° | 60.0° |
| O12 | C25 | C26 | H46 | 120.0° | 120.0° |
| O12 | C25 | C26 | H47 | 120.0° | 120.0° |
| O12 | C25 | C26 | O13 | 179.7° | 65.0° |
| C25 | O12 | C24 | H44 | 59.8° | 60.0° |
| C25 | O12 | C24 | H45 | 60.1° | 60.0° |
| O12 | C25 | H46 | H47 | 119.9° | 120.1° |
| O12 | C25 | C26 | H48 | 59.7° | 175.0° |
| O12 | C25 | C26 | H49 | 60.3° | 55.0° |
| C25 | C26 | O13 | H48 | 120.0° | 120.0° |
| C25 | C26 | O13 | H49 | 120.0° | 120.0° |
| C25 | C26 | O13 | C27 | 179.9° | 180.0° |
| C26 | C25 | H46 | H47 | 119.9° | 119.9° |
| C25 | C26 | H48 | H49 | 119.9° | 120.0° |
| C26 | O13 | C27 | C28 | 179.9° | 180.0° |
| O13 | C26 | C25 | H46 | 60.3° | 55.0° |
| O13 | C26 | C25 | H47 | 59.7° | 175.0° |
| O13 | C26 | H48 | H49 | 119.9° | 120.0° |
| C26 | O13 | C27 | H50 | 60.0° | 60.0° |
| C26 | O13 | C27 | H51 | 59.9° | 60.0° |
| O13 | C27 | C28 | H50 | 120.0° | 120.0° |
| O13 | C27 | C28 | H51 | 120.0° | 120.0° |
| O13 | C27 | C28 | O14 | 179.7° | 65.0° |
| C27 | O13 | C26 | H48 | 59.9° | 60.0° |
| C27 | O13 | C26 | H49 | 60.0° | 60.0° |
| O13 | C27 | H50 | H51 | 119.9° | 120.0° |
| O13 | C27 | C28 | H52 | 59.7° | 175.0° |
| O13 | C27 | C28 | H53 | 60.2° | 55.0° |
| C27 | C28 | O14 | H52 | 120.0° | 120.1° |
| C27 | C28 | O14 | H53 | 120.1° | 120.0° |
| C27 | C28 | O14 | C29 | 179.7° | 180.0° |
| C28 | C27 | H50 | H51 | 119.9° | 120.0° |
| C27 | C28 | H52 | H53 | 119.9° | 120.0° |
| C28 | O14 | C29 | C30 | 179.7° | 180.0° |
| O14 | C28 | C27 | H50 | 60.2° | 55.0° |
| O14 | C28 | C27 | H51 | 59.7° | 175.0° |
| O14 | C28 | H52 | H53 | 119.9° | 119.9° |
| C28 | O14 | C29 | H54 | 60.3° | 60.0° |
| C28 | O14 | C29 | H55 | 59.6° | 60.0° |
| O14 | C29 | C30 | H54 | 120.0° | 119.9° |
| O14 | C29 | C30 | H55 | 120.1° | 120.0° |
| O14 | C29 | C30 | O15 | 179.8° | 65.0° |
| C29 | O14 | C28 | H52 | 60.3° | 60.0° |
| C29 | O14 | C28 | H53 | 59.6° | 59.9° |
| O14 | C29 | H54 | H55 | 119.9° | 120.0° |
| O14 | C29 | C30 | H56 | 60.1° | 175.0° |
| O14 | C29 | C30 | H57 | 59.7° | 55.0° |
| C29 | C30 | O15 | H56 | 120.1° | 120.0° |
| C29 | C30 | O15 | H57 | 120.1° | 120.0° |
| C29 | C30 | O15 | C31 | 180.0° | 180.0° |
| C30 | C29 | H54 | H55 | 119.9° | 120.0° |
| C29 | C30 | H56 | H57 | 119.9° | 120.0° |
| C30 | O15 | C31 | C32 | 180.0° | 180.0° |
| O15 | C30 | C29 | H54 | 59.8° | 54.9° |
| O15 | C30 | C29 | H55 | 60.2° | 175.0° |
| O15 | C30 | H56 | H57 | 119.9° | 120.0° |
| C30 | O15 | C31 | H58 | 59.9° | 60.0° |
| C30 | O15 | C31 | H59 | 60.0° | 60.0° |
| O15 | C31 | C32 | H58 | 120.0° | 120.0° |
| O15 | C31 | C32 | H59 | 120.1° | 120.0° |
| O15 | C31 | C32 | O16 | 179.6° | 65.0° |
| C31 | O15 | C30 | H56 | 60.0° | 60.0° |
| C31 | O15 | C30 | H57 | 59.9° | 60.0° |
| O15 | C31 | H58 | H59 | 119.9° | 120.0° |
| O15 | C31 | C32 | H60 | 60.4° | 175.0° |
| O15 | C31 | C32 | H61 | 59.6° | 54.9° |
| C31 | C32 | O16 | H60 | 120.0° | 120.0° |
| C31 | C32 | O16 | H61 | 120.0° | 120.0° |
| C31 | C32 | O16 | C33 | 179.7° | 180.0° |
| C32 | C31 | H58 | H59 | 119.9° | 120.0° |
| C31 | C32 | H60 | H61 | 119.9° | 120.1° |
| C32 | O16 | C33 | C34 | 177.9° | 180.0° |
| O16 | C32 | C31 | H58 | 59.6° | 55.0° |
| O16 | C32 | C31 | H59 | 60.4° | 175.0° |
| O16 | C32 | H60 | H61 | 119.9° | 119.9° |
| C32 | O16 | C33 | H62 | 57.8° | 60.0° |
| C32 | O16 | C33 | H63 | 62.1° | 60.0° |
| O16 | C33 | C34 | H62 | 120.1° | 120.0° |
| O16 | C33 | C34 | H63 | 120.1° | 120.0° |
| O16 | C33 | C34 | O17 | 170.8° | 65.0° |
| C33 | O16 | C32 | H60 | 60.2° | 60.0° |
| C33 | O16 | C32 | H61 | 59.7° | 60.0° |
| O16 | C33 | H62 | H63 | 119.9° | 120.0° |
| O16 | C33 | C34 | H64 | 69.1° | 175.0° |
| O16 | C33 | C34 | H65 | 50.7° | 55.0° |
| C33 | C34 | O17 | H64 | 120.0° | 120.0° |
| C33 | C34 | O17 | H65 | 120.0° | 120.0° |
| C33 | C34 | O17 | C35 | 165.7° | 180.0° |
| C34 | C33 | H62 | H63 | 119.9° | 120.0° |
| C33 | C34 | H64 | H65 | 119.9° | 120.0° |
| C34 | O17 | C35 | C36 | 167.3° | 180.0° |
| O17 | C34 | C33 | H62 | 50.7° | 55.0° |
| O17 | C34 | C33 | H63 | 69.1° | 175.0° |
| O17 | C34 | H64 | H65 | 119.9° | 120.0° |
| C34 | O17 | C35 | H66 | 47.2° | 60.0° |
| C34 | O17 | C35 | H67 | 72.7° | 60.0° |
| O17 | C35 | C36 | H66 | 120.0° | 120.0° |
| O17 | C35 | C36 | H67 | 120.1° | 120.0° |
| O17 | C35 | C36 | O18 | 169.0° | 65.0° |
| C35 | O17 | C34 | H64 | 45.6° | 60.0° |
| C35 | O17 | C34 | H65 | 74.3° | 59.9° |
| O17 | C35 | H66 | H67 | 119.9° | 120.0° |
| O17 | C35 | C36 | H68 | 49.0° | 175.0° |
| O17 | C35 | C36 | H69 | 70.9° | 55.0° |
| C35 | C36 | O18 | H68 | 120.0° | 120.0° |
| C35 | C36 | O18 | H69 | 120.1° | 120.0° |
| C35 | C36 | O18 | C37 | 170.1° | 180.0° |
| C36 | C35 | H66 | H67 | 119.9° | 120.0° |
| C35 | C36 | H68 | H69 | 119.9° | 120.0° |
| C36 | O18 | C37 | C38 | 170.6° | 180.0° |
| O18 | C36 | C35 | H66 | 70.9° | 55.0° |
| O18 | C36 | C35 | H67 | 49.0° | 175.0° |
| O18 | C36 | H68 | H69 | 119.9° | 120.0° |
| C36 | O18 | C37 | H70 | 50.5° | 60.0° |
| C36 | O18 | C37 | H71 | 69.3° | 60.0° |
| O18 | C37 | C38 | H70 | 120.0° | 120.0° |
| O18 | C37 | C38 | H71 | 120.0° | 120.0° |
| O18 | C37 | C38 | N3 | 158.4° | 65.0° |
| C37 | O18 | C36 | H68 | 50.0° | 60.0° |
| C37 | O18 | C36 | H69 | 69.9° | 60.1° |
| O18 | C37 | H70 | H71 | 119.8° | 120.0° |
| O18 | C37 | C38 | H72 | 38.0° | 175.0° |
| O18 | C37 | C38 | H73 | 81.3° | 55.0° |
| C37 | C38 | N3 | H72 | 120.4° | 120.0° |
| C37 | C38 | N3 | H73 | 120.4° | 120.0° |
| C37 | C38 | N3 | C39 | 48.8° | 180.0° |
| C38 | C37 | H70 | H71 | 119.9° | 120.1° |
| C37 | C38 | H72 | H73 | 118.9° | 120.0° |
| C37 | C38 | N3 | H74 | 131.3° | 0.0° |
| C38 | N3 | C39 | H74 | 180.0° | 180.0° |
| C38 | N3 | C39 | O20 | 0.1° | 0.1° |
| C38 | N3 | C39 | C40 | 180.0° | 180.0° |
| N3 | C38 | C37 | H70 | 81.6° | 55.0° |
| N3 | C38 | C37 | H71 | 38.4° | 175.0° |
| N3 | C38 | H72 | H73 | 118.9° | 120.1° |
| N3 | C39 | O20 | C40 | 180.0° | 179.9° |
| N3 | C39 | C40 | C41 | 149.5° | 180.0° |
| C39 | N3 | C38 | H72 | 169.1° | 60.0° |
| C39 | N3 | C38 | H73 | 71.6° | 60.0° |
| N3 | C39 | C40 | H75 | 29.5° | 60.0° |
| N3 | C39 | C40 | H76 | 90.5° | 60.0° |
| O20 | C39 | C40 | C41 | 30.5° | 0.1° |
| O20 | C39 | N3 | H74 | 179.9° | 180.0° |
| O20 | C39 | C40 | H75 | 150.6° | 120.0° |
| O20 | C39 | C40 | H76 | 89.5° | 120.0° |
| C39 | C40 | C41 | H75 | 120.1° | 120.0° |
| C39 | C40 | C41 | H76 | 120.1° | 120.1° |
| C39 | C40 | C41 | C42 | 172.6° | 180.0° |
| C40 | C39 | N3 | H74 | 0.0° | 0.1° |
| C39 | C40 | H75 | H76 | 119.9° | 120.0° |
| C39 | C40 | C41 | H77 | 52.4° | 60.0° |
| C39 | C40 | C41 | H78 | 67.2° | 59.9° |
| C40 | C41 | C42 | H77 | 120.2° | 120.0° |
| C40 | C41 | C42 | H78 | 120.2° | 120.1° |
| C40 | C41 | C42 | C43 | 179.0° | 180.0° |
| C41 | C40 | H75 | H76 | 119.9° | 120.0° |
| C40 | C41 | H77 | H78 | 119.3° | 120.1° |
| C40 | C41 | C42 | H79 | 58.8° | 60.1° |
| C40 | C41 | C42 | H80 | 60.7° | 60.0° |
| C41 | C42 | C43 | H79 | 120.2° | 120.0° |
| C41 | C42 | C43 | H80 | 120.3° | 120.0° |
| C41 | C42 | C43 | C44 | 171.1° | 180.0° |
| C42 | C41 | C40 | H75 | 67.3° | 60.0° |
| C42 | C41 | C40 | H76 | 52.6° | 60.0° |
| C42 | C41 | H77 | H78 | 119.3° | 120.0° |
| C41 | C42 | H79 | H80 | 119.3° | 120.0° |
| C41 | C42 | C43 | H81 | 50.9° | 60.0° |
| C41 | C42 | C43 | H82 | 68.7° | 60.0° |
| C42 | C43 | C44 | H81 | 120.2° | 120.0° |
| C42 | C43 | C44 | H82 | 120.2° | 120.0° |
| C42 | C43 | C44 | C45 | 149.9° | 180.0° |
| C43 | C42 | C41 | H77 | 60.8° | 60.0° |
| C43 | C42 | C41 | H78 | 58.8° | 59.9° |
| C43 | C42 | H79 | H80 | 119.3° | 120.0° |
| C42 | C43 | H81 | H82 | 119.3° | 120.0° |
| C42 | C43 | C44 | H83 | 89.8° | 60.0° |
| C42 | C43 | C44 | H84 | 29.7° | 60.0° |
| C43 | C44 | C45 | H83 | 120.2° | 120.0° |
| C43 | C44 | C45 | H84 | 120.2° | 120.0° |
| C43 | C44 | C45 | C48 | 179.8° | 175.0° |
| C43 | C44 | C45 | S | 61.0° | 71.7° |
| C44 | C43 | C42 | H79 | 68.7° | 60.0° |
| C44 | C43 | C42 | H80 | 50.8° | 60.0° |
| C44 | C43 | H81 | H82 | 119.3° | 120.0° |
| C43 | C44 | H83 | H84 | 119.3° | 120.0° |
| C43 | C44 | C45 | H2 | 56.8° | 51.7° |
| C44 | C45 | C48 | S | 121.0° | 118.3° |
| C44 | C45 | C48 | H2 | 123.5° | 123.2° |
| C44 | C45 | S | H2 | 119.5° | 123.2° |
| C44 | C45 | C48 | C47 | 123.5° | 142.9° |
| C44 | C45 | C48 | N5 | 8.2° | 28.1° |
| C44 | C45 | S | C46 | 125.1° | 153.0° |
| C45 | C44 | C43 | H81 | 29.7° | 60.0° |
| C45 | C44 | C43 | H82 | 89.8° | 60.0° |
| C45 | C44 | H83 | H84 | 119.3° | 120.0° |
| C44 | C45 | C48 | H4 | 115.1° | 93.6° |
| C48 | C45 | S | H2 | 117.3° | 118.4° |
| C45 | C48 | C47 | N5 | 122.0° | 118.0° |
| C45 | C48 | C47 | H4 | 121.4° | 123.4° |
| C45 | C48 | N5 | H4 | 122.8° | 121.5° |
| C45 | C48 | C47 | C46 | 2.3° | 0.0° |
| C45 | C48 | C47 | N4 | 122.2° | 118.0° |
| C48 | C45 | S | C46 | 1.8° | 34.7° |
| C45 | C48 | N5 | C49 | 121.6° | 120.2° |
| C48 | C45 | C44 | H83 | 60.0° | 55.0° |
| C48 | C45 | C44 | H84 | 59.6° | 65.0° |
| C45 | C48 | C47 | H3 | 120.3° | 123.4° |
| C45 | C48 | N5 | H88 | 58.4° | 59.8° |
| S | C45 | C48 | C47 | 2.5° | 24.6° |
| S | C45 | C48 | N5 | 112.8° | 90.2° |
| C45 | S | C46 | C47 | 0.6° | 34.7° |
| S | C45 | C44 | H83 | 178.8° | 168.3° |
| S | C45 | C44 | H84 | 59.3° | 48.3° |
| S | C45 | C48 | H4 | 123.8° | 148.1° |
| C45 | S | C46 | H86 | 118.9° | 83.7° |
| C45 | S | C46 | H85 | 120.0° | 153.0° |
| C47 | C48 | N5 | H4 | 115.8° | 118.3° |
| C48 | C47 | C46 | N4 | 114.7° | 114.9° |
| C48 | C47 | C46 | H3 | 122.5° | 123.5° |
| C48 | C47 | N4 | H3 | 116.6° | 118.4° |
| C48 | C47 | C46 | S | 0.9° | 24.6° |
| C47 | C48 | N5 | C49 | 0.2° | 0.0° |
| C48 | C47 | N4 | C49 | 0.2° | 0.0° |
| C47 | C48 | C45 | H2 | 113.0° | 93.9° |
| C48 | C47 | C46 | H86 | 120.4° | 93.7° |
| C48 | C47 | C46 | H85 | 118.6° | 142.9° |
| C47 | C48 | N5 | H88 | 179.8° | 180.0° |
| C48 | C47 | N4 | H87 | 179.8° | 180.0° |
| N5 | C48 | C47 | C46 | 119.7° | 118.0° |
| N5 | C48 | C47 | N4 | 0.2° | 0.0° |
| C48 | N5 | C49 | H88 | 180.0° | 180.0° |
| C48 | N5 | C49 | O19 | 179.9° | 180.0° |
| C48 | N5 | C49 | N4 | 0.1° | 0.0° |
| N5 | C48 | C45 | H2 | 131.7° | 151.3° |
| N5 | C48 | C47 | H3 | 117.7° | 118.6° |
| C46 | C47 | N4 | H3 | 122.1° | 121.5° |
| C47 | C46 | S | H86 | 119.5° | 118.4° |
| C47 | C46 | S | H85 | 119.5° | 118.3° |
| C46 | C47 | N4 | C49 | 121.0° | 120.1° |
| C46 | C47 | C48 | H4 | 123.7° | 123.4° |
| C47 | C46 | H86 | H85 | 121.5° | 123.3° |
| C46 | C47 | N4 | H87 | 59.0° | 59.8° |
| N4 | C47 | C46 | S | 115.6° | 90.3° |
| C47 | N4 | C49 | N5 | 0.1° | 0.0° |
| C47 | N4 | C49 | O19 | 179.9° | 180.0° |
| C47 | N4 | C49 | H87 | 180.0° | 180.0° |
| N4 | C47 | C48 | H4 | 116.5° | 118.6° |
| N4 | C47 | C46 | H86 | 124.9° | 151.4° |
| N4 | C47 | C46 | H85 | 3.9° | 28.0° |
| C46 | S | C45 | H2 | 115.5° | 83.7° |
| S | C46 | C47 | H3 | 121.6° | 148.1° |
| S | C46 | H86 | H85 | 121.6° | 123.3° |
| N5 | C49 | O19 | N4 | 179.9° | 180.0° |
| C49 | N5 | C48 | H4 | 115.6° | 118.3° |
| N5 | C49 | N4 | H87 | 179.9° | 180.0° |
| O19 | C49 | N5 | H88 | 0.0° | 0.0° |
| O19 | C49 | N4 | H87 | 0.1° | 0.0° |
| C49 | N4 | C47 | H3 | 116.8° | 118.4° |
| N4 | C49 | N5 | H88 | 179.9° | 180.0° |
| H92 | C53 | C52 | H91 | 0.1° | 0.1° |
| H93 | C55 | C56 | H94 | 0.1° | 0.0° |
| H20 | C11 | C10 | H18 | 156.6° | 180.0° |
| H20 | C11 | C10 | H19 | 37.0° | 60.0° |
| H21 | C11 | C10 | H18 | 82.3° | 60.0° |
| H21 | C11 | C10 | H19 | 158.1° | 180.0° |
| H18 | C10 | C9 | H16 | 126.7° | 180.0° |
| H18 | C10 | C9 | H17 | 7.1° | 60.0° |
| H19 | C10 | C9 | H16 | 113.8° | 60.0° |
| H19 | C10 | C9 | H17 | 126.7° | 180.0° |
| H16 | C9 | C8 | H14 | 180.0° | 180.0° |
| H16 | C9 | C8 | H15 | 60.5° | 60.0° |
| H17 | C9 | C8 | H14 | 60.5° | 60.0° |
| H17 | C9 | C8 | H15 | 180.0° | 180.0° |
| H14 | C8 | C1 | H | 42.9° | 65.0° |
| H15 | C8 | C1 | H | 162.5° | 175.0° |
| H | C1 | N | H6 | 5.7° | 145.0° |
| H7 | N1 | C3 | H1 | 127.1° | 144.9° |
| H1 | C3 | C4 | H8 | 54.3° | 175.0° |
| H1 | C3 | C4 | H9 | 173.9° | 65.0° |
| H8 | C4 | C5 | H10 | 176.4° | 180.0° |
| H8 | C4 | C5 | H11 | 63.7° | 60.1° |
| H9 | C4 | C5 | H10 | 56.8° | 60.1° |
| H9 | C4 | C5 | H11 | 176.7° | 180.0° |
| H22 | C13 | C14 | H24 | 157.5° | 180.0° |
| H22 | C13 | C14 | H25 | 82.6° | 60.0° |
| H23 | C13 | C14 | H24 | 37.6° | 60.0° |
| H23 | C13 | C14 | H25 | 157.5° | 180.0° |
| H26 | C15 | C16 | H28 | 139.3° | 65.0° |
| H26 | C15 | C16 | H29 | 100.7° | 175.0° |
| H27 | C15 | C16 | H28 | 19.4° | 55.0° |
| H27 | C15 | C16 | H29 | 139.3° | 64.9° |
| H30 | C17 | C18 | H32 | 173.0° | 65.0° |
| H30 | C17 | C18 | H33 | 67.1° | 175.0° |
| H31 | C17 | C18 | H32 | 53.0° | 55.0° |
| H31 | C17 | C18 | H33 | 172.9° | 65.0° |
| H34 | C19 | C20 | H36 | 158.1° | 65.1° |
| H34 | C19 | C20 | H37 | 81.9° | 175.0° |
| H35 | C19 | C20 | H36 | 38.2° | 54.9° |
| H35 | C19 | C20 | H37 | 158.1° | 65.1° |
| H38 | C21 | C22 | H40 | 164.8° | 65.0° |
| H38 | C21 | C22 | H41 | 44.8° | 175.0° |
| H39 | C21 | C22 | H40 | 75.3° | 55.1° |
| H39 | C21 | C22 | H41 | 164.7° | 64.9° |
| H42 | C23 | C24 | H44 | 180.0° | 65.0° |
| H42 | C23 | C24 | H45 | 60.1° | 175.0° |
| H43 | C23 | C24 | H44 | 60.1° | 54.9° |
| H43 | C23 | C24 | H45 | 180.0° | 65.0° |
| H46 | C25 | C26 | H48 | 179.7° | 65.0° |
| H46 | C25 | C26 | H49 | 59.8° | 175.0° |
| H47 | C25 | C26 | H48 | 60.4° | 55.0° |
| H47 | C25 | C26 | H49 | 179.7° | 65.0° |
| H50 | C27 | C28 | H52 | 179.7° | 65.0° |
| H50 | C27 | C28 | H53 | 59.8° | 175.0° |
| H51 | C27 | C28 | H52 | 60.3° | 55.0° |
| H51 | C27 | C28 | H53 | 179.7° | 65.0° |
| H54 | C29 | C30 | H56 | 179.8° | 65.0° |
| H54 | C29 | C30 | H57 | 60.3° | 175.0° |
| H55 | C29 | C30 | H56 | 59.9° | 55.0° |
| H55 | C29 | C30 | H57 | 179.8° | 65.0° |
| H58 | C31 | C32 | H60 | 179.6° | 65.0° |
| H58 | C31 | C32 | H61 | 60.5° | 174.9° |
| H59 | C31 | C32 | H60 | 59.7° | 55.0° |
| H59 | C31 | C32 | H61 | 179.6° | 65.1° |
| H62 | C33 | C34 | H64 | 170.8° | 65.0° |
| H62 | C33 | C34 | H65 | 69.3° | 175.0° |
| H63 | C33 | C34 | H64 | 50.9° | 55.0° |
| H63 | C33 | C34 | H65 | 170.8° | 65.0° |
| H66 | C35 | C36 | H68 | 169.1° | 65.0° |
| H66 | C35 | C36 | H69 | 49.1° | 175.0° |
| H67 | C35 | C36 | H68 | 71.0° | 55.0° |
| H67 | C35 | C36 | H69 | 169.1° | 65.0° |
| H70 | C37 | C38 | H72 | 158.1° | 65.0° |
| H70 | C37 | C38 | H73 | 38.8° | 175.0° |
| H71 | C37 | C38 | H72 | 82.0° | 55.0° |
| H71 | C37 | C38 | H73 | 158.7° | 65.0° |
| H72 | C38 | N3 | H74 | 10.9° | 120.0° |
| H73 | C38 | N3 | H74 | 108.4° | 120.0° |
| H75 | C40 | C41 | H77 | 172.4° | 180.0° |
| H75 | C40 | C41 | H78 | 52.9° | 60.0° |
| H76 | C40 | C41 | H77 | 67.7° | 60.0° |
| H76 | C40 | C41 | H78 | 172.8° | 180.0° |
| H77 | C41 | C42 | H79 | 179.0° | 179.9° |
| H77 | C41 | C42 | H80 | 59.5° | 60.0° |
| H78 | C41 | C42 | H79 | 61.5° | 60.0° |
| H78 | C41 | C42 | H80 | 179.0° | 179.9° |
| H79 | C42 | C43 | H81 | 171.1° | 180.0° |
| H79 | C42 | C43 | H82 | 51.5° | 60.0° |
| H80 | C42 | C43 | H81 | 69.4° | 60.0° |
| H80 | C42 | C43 | H82 | 171.0° | 180.0° |
| H81 | C43 | C44 | H83 | 150.0° | 180.0° |
| H81 | C43 | C44 | H84 | 90.5° | 60.0° |
| H82 | C43 | C44 | H83 | 30.4° | 60.0° |
| H82 | C43 | C44 | H84 | 149.9° | 180.0° |
| H83 | C44 | C45 | H2 | 63.4° | 68.3° |
| H84 | C44 | C45 | H2 | 177.0° | 171.7° |
| H2 | C45 | C48 | H4 | 8.3° | 29.6° |
| H4 | C48 | C47 | H3 | 1.1° | 0.0° |
| H4 | C48 | N5 | H88 | 64.3° | 61.7° |
| H3 | C47 | C46 | H86 | 2.1° | 29.7° |
| H3 | C47 | C46 | H85 | 118.9° | 93.6° |
| H3 | C47 | N4 | H87 | 63.2° | 61.6° |
