J31
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C21 | doub | 1.21Å | 1.22Å | |
| C21 | N3 | sing | 1.35Å | 1.34Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| N3 | C20 | sing | 1.47Å | 1.45Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | O8 | sing | 1.43Å | 1.43Å | |
| O8 | C18 | sing | 1.36Å | 1.37Å | |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C13 | sing | 1.40Å | 1.48Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C | sing | 1.48Å | 1.50Å | |
| C | N | sing | 1.35Å | 1.33Å | |
| C | O | doub | 1.22Å | 1.22Å | |
| N | C1 | sing | 1.47Å | 1.45Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | N1 | sing | 1.46Å | 1.45Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| N1 | C7 | sing | 1.35Å | 1.33Å | |
| C7 | O7 | doub | 1.22Å | 1.22Å | |
| C7 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | C8 | sing | 1.47Å | 1.45Å | |
| C8 | C12 | sing | 1.51Å | 1.50Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C12 | O6 | doub | 1.21Å | 1.22Å | |
| C12 | O5 | sing | 1.34Å | 1.33Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | O4 | doub | 1.21Å | 1.22Å | |
| C11 | O3 | sing | 1.34Å | 1.33Å | |
| C6 | O2 | doub | 1.21Å | 1.22Å | |
| C6 | O1 | sing | 1.34Å | 1.33Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | O9 | sing | 1.43Å | 1.43Å | |
| O9 | C24 | sing | 1.43Å | 1.43Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | O10 | sing | 1.43Å | 1.43Å | |
| O10 | C26 | sing | 1.43Å | 1.43Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | O11 | sing | 1.43Å | 1.43Å | |
| O11 | C28 | sing | 1.43Å | 1.43Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | O12 | sing | 1.43Å | 1.43Å | |
| O12 | C30 | sing | 1.43Å | 1.43Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | O13 | sing | 1.43Å | 1.43Å | |
| O13 | C32 | sing | 1.43Å | 1.43Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C33 | O14 | sing | 1.43Å | 1.43Å | |
| O14 | C34 | sing | 1.43Å | 1.43Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C35 | O15 | sing | 1.43Å | 1.43Å | |
| O15 | C36 | sing | 1.43Å | 1.43Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C37 | O16 | sing | 1.43Å | 1.43Å | |
| O16 | C38 | sing | 1.43Å | 1.43Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C39 | O17 | sing | 1.43Å | 1.43Å | |
| O17 | C40 | sing | 1.43Å | 1.43Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C41 | O18 | sing | 1.43Å | 1.43Å | |
| O18 | C42 | sing | 1.43Å | 1.43Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C43 | O19 | sing | 1.43Å | 1.43Å | |
| O19 | C44 | sing | 1.43Å | 1.43Å | |
| C44 | C45 | sing | 1.53Å | 1.52Å | |
| C45 | O20 | sing | 1.43Å | 1.43Å | |
| O20 | C46 | sing | 1.43Å | 1.43Å | |
| C46 | C47 | sing | 1.53Å | 1.52Å | |
| C47 | N4 | sing | 1.46Å | 1.45Å | |
| N4 | C48 | sing | 1.35Å | 1.33Å | |
| C48 | O22 | doub | 1.21Å | 1.22Å | |
| C48 | C49 | sing | 1.51Å | 1.51Å | |
| C49 | C50 | sing | 1.53Å | 1.52Å | |
| C50 | C51 | sing | 1.53Å | 1.52Å | |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| C52 | C53 | sing | 1.53Å | 1.53Å | |
| C53 | C56 | sing | 1.54Å | 1.53Å | |
| C53 | S | sing | 1.84Å | 1.76Å | |
| C56 | C55 | sing | 1.53Å | 1.54Å | |
| C56 | N6 | sing | 1.47Å | 1.45Å | |
| C55 | C54 | sing | 1.54Å | 1.53Å | |
| C55 | N5 | sing | 1.47Å | 1.45Å | |
| C54 | S | sing | 1.84Å | 1.76Å | |
| N6 | C57 | sing | 1.34Å | 1.33Å | |
| C57 | O21 | doub | 1.22Å | 1.22Å | |
| C57 | N5 | sing | 1.34Å | 1.33Å | |
| N3 | H31 | sing | 0.97Å | 1.00Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.08Å | 1.08Å | |
| C16 | H25 | sing | 1.08Å | 1.08Å | |
| C15 | H24 | sing | 1.08Å | 1.08Å | |
| C14 | H23 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H | sing | 1.09Å | 1.10Å | |
| N1 | H15 | sing | 0.97Å | 1.00Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| O5 | H22 | sing | 0.97Å | 0.95Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| O3 | H21 | sing | 0.97Å | 0.95Å | |
| O1 | H14 | sing | 0.97Å | 0.95Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C28 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C31 | H50 | sing | 1.09Å | 1.10Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| C32 | H52 | sing | 1.09Å | 1.10Å | |
| C32 | H53 | sing | 1.09Å | 1.10Å | |
| C33 | H54 | sing | 1.09Å | 1.10Å | |
| C33 | H55 | sing | 1.09Å | 1.10Å | |
| C34 | H56 | sing | 1.09Å | 1.10Å | |
| C34 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H58 | sing | 1.09Å | 1.10Å | |
| C35 | H59 | sing | 1.09Å | 1.10Å | |
| C36 | H60 | sing | 1.09Å | 1.10Å | |
| C36 | H61 | sing | 1.09Å | 1.10Å | |
| C37 | H62 | sing | 1.09Å | 1.10Å | |
| C37 | H63 | sing | 1.09Å | 1.10Å | |
| C38 | H64 | sing | 1.09Å | 1.10Å | |
| C38 | H65 | sing | 1.09Å | 1.10Å | |
| C39 | H66 | sing | 1.09Å | 1.10Å | |
| C39 | H67 | sing | 1.09Å | 1.10Å | |
| C40 | H68 | sing | 1.09Å | 1.10Å | |
| C40 | H69 | sing | 1.09Å | 1.10Å | |
| C41 | H70 | sing | 1.09Å | 1.10Å | |
| C41 | H71 | sing | 1.09Å | 1.10Å | |
| C42 | H72 | sing | 1.09Å | 1.10Å | |
| C42 | H73 | sing | 1.09Å | 1.10Å | |
| C43 | H74 | sing | 1.09Å | 1.10Å | |
| C43 | H75 | sing | 1.09Å | 1.10Å | |
| C44 | H76 | sing | 1.09Å | 1.10Å | |
| C44 | H77 | sing | 1.09Å | 1.10Å | |
| C45 | H78 | sing | 1.09Å | 1.10Å | |
| C45 | H79 | sing | 1.09Å | 1.10Å | |
| C46 | H80 | sing | 1.09Å | 1.10Å | |
| C46 | H81 | sing | 1.09Å | 1.10Å | |
| C47 | H82 | sing | 1.09Å | 1.10Å | |
| C47 | H83 | sing | 1.09Å | 1.10Å | |
| N4 | H84 | sing | 0.97Å | 1.00Å | |
| C49 | H85 | sing | 1.09Å | 1.10Å | |
| C49 | H86 | sing | 1.09Å | 1.10Å | |
| C50 | H87 | sing | 1.09Å | 1.10Å | |
| C50 | H88 | sing | 1.09Å | 1.10Å | |
| C51 | H89 | sing | 1.09Å | 1.10Å | |
| C51 | H90 | sing | 1.09Å | 1.10Å | |
| C52 | H91 | sing | 1.09Å | 1.10Å | |
| C52 | H92 | sing | 1.09Å | 1.10Å | |
| C53 | H2 | sing | 1.09Å | 1.10Å | |
| C56 | H4 | sing | 1.09Å | 1.10Å | |
| C55 | H3 | sing | 1.09Å | 1.10Å | |
| C54 | H94 | sing | 1.09Å | 1.10Å | |
| C54 | H93 | sing | 1.09Å | 1.10Å | |
| N6 | H96 | sing | 0.97Å | 1.00Å | |
| N5 | H95 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C21 | N3 | 122.1° | 120.0° |
| O23 | C21 | C22 | 119.6° | 120.0° |
| N3 | C21 | C22 | 118.3° | 120.0° |
| C21 | N3 | C20 | 123.3° | 120.0° |
| C21 | N3 | H31 | 118.3° | 120.0° |
| C21 | C22 | C23 | 109.7° | 109.5° |
| C21 | C22 | H32 | 109.4° | 109.5° |
| C21 | C22 | H33 | 109.4° | 109.4° |
| N3 | C20 | C19 | 111.8° | 109.4° |
| C20 | N3 | H31 | 118.4° | 120.0° |
| N3 | C20 | H29 | 108.9° | 109.5° |
| N3 | C20 | H30 | 108.9° | 109.4° |
| C20 | C19 | O8 | 109.7° | 109.5° |
| C19 | C20 | H29 | 108.9° | 109.5° |
| C19 | C20 | H30 | 108.9° | 109.5° |
| C20 | C19 | H27 | 109.4° | 109.4° |
| C20 | C19 | H28 | 109.4° | 109.4° |
| C19 | O8 | C18 | 120.1° | 117.0° |
| O8 | C19 | H27 | 109.4° | 109.5° |
| O8 | C19 | H28 | 109.4° | 109.5° |
| O8 | C18 | C17 | 120.6° | 120.2° |
| O8 | C18 | C13 | 120.5° | 120.1° |
| C17 | C18 | C13 | 118.9° | 119.7° |
| C18 | C17 | C16 | 120.0° | 120.1° |
| C18 | C17 | H26 | 120.0° | 120.0° |
| C18 | C13 | C14 | 119.0° | 119.6° |
| C18 | C13 | C | 120.5° | 120.2° |
| C17 | C16 | C15 | 121.1° | 120.4° |
| C16 | C17 | H26 | 120.0° | 119.9° |
| C17 | C16 | H25 | 119.5° | 119.8° |
| C16 | C15 | C14 | 121.0° | 120.3° |
| C15 | C16 | H25 | 119.5° | 119.8° |
| C16 | C15 | H24 | 119.5° | 119.8° |
| C15 | C14 | C13 | 120.0° | 119.9° |
| C14 | C15 | H24 | 119.5° | 119.8° |
| C15 | C14 | H23 | 120.0° | 120.1° |
| C14 | C13 | C | 120.5° | 120.2° |
| C13 | C14 | H23 | 120.0° | 120.0° |
| C13 | C | N | 118.8° | 120.0° |
| C13 | C | O | 119.3° | 120.0° |
| N | C | O | 121.9° | 120.0° |
| C | N | C1 | 121.5° | 120.0° |
| C | N | H5 | 119.2° | 120.0° |
| N | C1 | C2 | 111.8° | 109.5° |
| C1 | N | H5 | 119.3° | 120.0° |
| N | C1 | H6 | 108.9° | 109.4° |
| N | C1 | H7 | 108.9° | 109.5° |
| C1 | C2 | C3 | 111.0° | 109.5° |
| C2 | C1 | H6 | 108.9° | 109.5° |
| C2 | C1 | H7 | 108.9° | 109.5° |
| C1 | C2 | H8 | 109.1° | 109.5° |
| C1 | C2 | H9 | 109.1° | 109.5° |
| C2 | C3 | C4 | 111.0° | 109.5° |
| C3 | C2 | H8 | 109.1° | 109.5° |
| C3 | C2 | H9 | 109.1° | 109.4° |
| C2 | C3 | H10 | 109.1° | 109.5° |
| C2 | C3 | H11 | 109.1° | 109.4° |
| C3 | C4 | C5 | 111.0° | 109.5° |
| C4 | C3 | H10 | 109.1° | 109.5° |
| C4 | C3 | H11 | 109.1° | 109.4° |
| C3 | C4 | H12 | 109.1° | 109.5° |
| C3 | C4 | H13 | 109.1° | 109.5° |
| C4 | C5 | N1 | 110.0° | 109.5° |
| C4 | C5 | C6 | 109.5° | 109.5° |
| C5 | C4 | H12 | 109.1° | 109.5° |
| C5 | C4 | H13 | 109.1° | 109.4° |
| C4 | C5 | H | 108.1° | 109.4° |
| N1 | C5 | C6 | 111.6° | 109.5° |
| C5 | N1 | C7 | 121.5° | 120.0° |
| N1 | C5 | H | 109.1° | 109.5° |
| C5 | N1 | H15 | 119.3° | 120.0° |
| C5 | C6 | O2 | 120.6° | 120.0° |
| C5 | C6 | O1 | 120.2° | 120.0° |
| C6 | C5 | H | 108.4° | 109.4° |
| N1 | C7 | O7 | 121.0° | 120.0° |
| N1 | C7 | N2 | 118.0° | 120.0° |
| C7 | N1 | H15 | 119.3° | 120.0° |
| O7 | C7 | N2 | 121.0° | 120.0° |
| C7 | N2 | C8 | 121.5° | 120.0° |
| C7 | N2 | H16 | 119.3° | 120.0° |
| N2 | C8 | C12 | 111.6° | 109.5° |
| N2 | C8 | C9 | 110.0° | 109.5° |
| C8 | N2 | H16 | 119.2° | 120.0° |
| N2 | C8 | H1 | 109.1° | 109.4° |
| C12 | C8 | C9 | 109.5° | 109.5° |
| C8 | C12 | O6 | 120.7° | 120.0° |
| C8 | C12 | O5 | 120.2° | 120.0° |
| C12 | C8 | H1 | 108.4° | 109.4° |
| C8 | C9 | C10 | 111.0° | 109.5° |
| C9 | C8 | H1 | 108.1° | 109.5° |
| C8 | C9 | H17 | 109.1° | 109.5° |
| C8 | C9 | H18 | 109.1° | 109.5° |
| O6 | C12 | O5 | 119.2° | 120.0° |
| C12 | O5 | H22 | 109.5° | 117.0° |
| C9 | C10 | C11 | 109.8° | 109.5° |
| C10 | C9 | H17 | 109.1° | 109.5° |
| C10 | C9 | H18 | 109.1° | 109.5° |
| C9 | C10 | H19 | 109.4° | 109.5° |
| C9 | C10 | H20 | 109.4° | 109.5° |
| C10 | C11 | O4 | 120.5° | 120.0° |
| C10 | C11 | O3 | 120.5° | 120.0° |
| C11 | C10 | H19 | 109.4° | 109.4° |
| C11 | C10 | H20 | 109.4° | 109.5° |
| O4 | C11 | O3 | 119.0° | 120.0° |
| C11 | O3 | H21 | 109.5° | 117.0° |
| O2 | C6 | O1 | 119.2° | 120.0° |
| C6 | O1 | H14 | 109.5° | 116.9° |
| C22 | C23 | O9 | 109.7° | 109.5° |
| C23 | C22 | H32 | 109.4° | 109.5° |
| C23 | C22 | H33 | 109.4° | 109.5° |
| C22 | C23 | H34 | 109.4° | 109.4° |
| C22 | C23 | H35 | 109.4° | 109.5° |
| C23 | O9 | C24 | 111.8° | 114.0° |
| O9 | C23 | H34 | 109.4° | 109.5° |
| O9 | C23 | H35 | 109.4° | 109.5° |
| O9 | C24 | C25 | 109.7° | 109.5° |
| O9 | C24 | H36 | 109.4° | 109.5° |
| O9 | C24 | H37 | 109.4° | 109.4° |
| C24 | C25 | O10 | 109.7° | 109.4° |
| C25 | C24 | H36 | 109.4° | 109.5° |
| C25 | C24 | H37 | 109.4° | 109.5° |
| C24 | C25 | H38 | 109.4° | 109.5° |
| C24 | C25 | H39 | 109.4° | 109.5° |
| C25 | O10 | C26 | 111.9° | 114.0° |
| O10 | C25 | H38 | 109.4° | 109.4° |
| O10 | C25 | H39 | 109.4° | 109.5° |
| O10 | C26 | C27 | 109.8° | 109.5° |
| O10 | C26 | H40 | 109.4° | 109.4° |
| O10 | C26 | H41 | 109.4° | 109.5° |
| C26 | C27 | O11 | 109.8° | 109.5° |
| C27 | C26 | H40 | 109.4° | 109.4° |
| C27 | C26 | H41 | 109.4° | 109.5° |
| C26 | C27 | H42 | 109.4° | 109.5° |
| C26 | C27 | H43 | 109.4° | 109.5° |
| C27 | O11 | C28 | 111.8° | 114.0° |
| O11 | C27 | H42 | 109.4° | 109.5° |
| O11 | C27 | H43 | 109.4° | 109.5° |
| O11 | C28 | C29 | 109.8° | 109.4° |
| O11 | C28 | H44 | 109.4° | 109.5° |
| O11 | C28 | H45 | 109.4° | 109.5° |
| C28 | C29 | O12 | 109.8° | 109.5° |
| C29 | C28 | H44 | 109.4° | 109.5° |
| C29 | C28 | H45 | 109.4° | 109.4° |
| C28 | C29 | H46 | 109.4° | 109.5° |
| C28 | C29 | H47 | 109.4° | 109.5° |
| C29 | O12 | C30 | 111.8° | 114.0° |
| O12 | C29 | H46 | 109.4° | 109.4° |
| O12 | C29 | H47 | 109.4° | 109.4° |
| O12 | C30 | C31 | 109.7° | 109.5° |
| O12 | C30 | H48 | 109.4° | 109.4° |
| O12 | C30 | H49 | 109.4° | 109.5° |
| C30 | C31 | O13 | 109.7° | 109.5° |
| C31 | C30 | H48 | 109.4° | 109.5° |
| C31 | C30 | H49 | 109.4° | 109.5° |
| C30 | C31 | H50 | 109.4° | 109.5° |
| C30 | C31 | H51 | 109.4° | 109.5° |
| C31 | O13 | C32 | 111.8° | 114.0° |
| O13 | C31 | H50 | 109.4° | 109.5° |
| O13 | C31 | H51 | 109.4° | 109.5° |
| O13 | C32 | C33 | 109.7° | 109.5° |
| O13 | C32 | H52 | 109.4° | 109.5° |
| O13 | C32 | H53 | 109.4° | 109.5° |
| C32 | C33 | O14 | 109.7° | 109.4° |
| C33 | C32 | H52 | 109.4° | 109.4° |
| C33 | C32 | H53 | 109.4° | 109.4° |
| C32 | C33 | H54 | 109.4° | 109.5° |
| C32 | C33 | H55 | 109.4° | 109.4° |
| C33 | O14 | C34 | 111.8° | 114.0° |
| O14 | C33 | H54 | 109.4° | 109.5° |
| O14 | C33 | H55 | 109.4° | 109.5° |
| O14 | C34 | C35 | 109.7° | 109.4° |
| O14 | C34 | H56 | 109.4° | 109.5° |
| O14 | C34 | H57 | 109.4° | 109.5° |
| C34 | C35 | O15 | 109.8° | 109.5° |
| C35 | C34 | H56 | 109.4° | 109.4° |
| C35 | C34 | H57 | 109.4° | 109.5° |
| C34 | C35 | H58 | 109.4° | 109.4° |
| C34 | C35 | H59 | 109.4° | 109.5° |
| C35 | O15 | C36 | 111.8° | 114.0° |
| O15 | C35 | H58 | 109.4° | 109.4° |
| O15 | C35 | H59 | 109.4° | 109.5° |
| O15 | C36 | C37 | 109.8° | 109.5° |
| O15 | C36 | H60 | 109.4° | 109.5° |
| O15 | C36 | H61 | 109.4° | 109.4° |
| C36 | C37 | O16 | 109.7° | 109.4° |
| C37 | C36 | H60 | 109.4° | 109.5° |
| C37 | C36 | H61 | 109.4° | 109.5° |
| C36 | C37 | H62 | 109.4° | 109.5° |
| C36 | C37 | H63 | 109.4° | 109.5° |
| C37 | O16 | C38 | 111.8° | 114.0° |
| O16 | C37 | H62 | 109.4° | 109.5° |
| O16 | C37 | H63 | 109.4° | 109.5° |
| O16 | C38 | C39 | 109.7° | 109.5° |
| O16 | C38 | H64 | 109.4° | 109.4° |
| O16 | C38 | H65 | 109.4° | 109.5° |
| C38 | C39 | O17 | 109.7° | 109.5° |
| C39 | C38 | H64 | 109.4° | 109.5° |
| C39 | C38 | H65 | 109.4° | 109.5° |
| C38 | C39 | H66 | 109.4° | 109.5° |
| C38 | C39 | H67 | 109.4° | 109.5° |
| C39 | O17 | C40 | 111.8° | 114.0° |
| O17 | C39 | H66 | 109.4° | 109.4° |
| O17 | C39 | H67 | 109.4° | 109.4° |
| O17 | C40 | C41 | 109.7° | 109.4° |
| O17 | C40 | H68 | 109.4° | 109.4° |
| O17 | C40 | H69 | 109.4° | 109.5° |
| C40 | C41 | O18 | 109.7° | 109.5° |
| C41 | C40 | H68 | 109.4° | 109.5° |
| C41 | C40 | H69 | 109.4° | 109.5° |
| C40 | C41 | H70 | 109.4° | 109.5° |
| C40 | C41 | H71 | 109.4° | 109.5° |
| C41 | O18 | C42 | 111.8° | 114.0° |
| O18 | C41 | H70 | 109.4° | 109.4° |
| O18 | C41 | H71 | 109.4° | 109.5° |
| O18 | C42 | C43 | 109.7° | 109.5° |
| O18 | C42 | H72 | 109.4° | 109.5° |
| O18 | C42 | H73 | 109.4° | 109.5° |
| C42 | C43 | O19 | 109.8° | 109.5° |
| C43 | C42 | H72 | 109.4° | 109.5° |
| C43 | C42 | H73 | 109.4° | 109.4° |
| C42 | C43 | H74 | 109.4° | 109.5° |
| C42 | C43 | H75 | 109.4° | 109.5° |
| C43 | O19 | C44 | 111.8° | 114.0° |
| O19 | C43 | H74 | 109.4° | 109.5° |
| O19 | C43 | H75 | 109.4° | 109.5° |
| O19 | C44 | C45 | 109.8° | 109.5° |
| O19 | C44 | H76 | 109.4° | 109.4° |
| O19 | C44 | H77 | 109.4° | 109.5° |
| C44 | C45 | O20 | 109.7° | 109.4° |
| C45 | C44 | H76 | 109.4° | 109.4° |
| C45 | C44 | H77 | 109.4° | 109.5° |
| C44 | C45 | H78 | 109.4° | 109.5° |
| C44 | C45 | H79 | 109.4° | 109.4° |
| C45 | O20 | C46 | 111.8° | 113.9° |
| O20 | C45 | H78 | 109.4° | 109.5° |
| O20 | C45 | H79 | 109.4° | 109.5° |
| O20 | C46 | C47 | 109.8° | 109.5° |
| O20 | C46 | H80 | 109.4° | 109.5° |
| O20 | C46 | H81 | 109.4° | 109.5° |
| C46 | C47 | N4 | 111.8° | 109.5° |
| C47 | C46 | H80 | 109.4° | 109.4° |
| C47 | C46 | H81 | 109.4° | 109.4° |
| C46 | C47 | H82 | 108.9° | 109.5° |
| C46 | C47 | H83 | 108.9° | 109.4° |
| C47 | N4 | C48 | 121.5° | 120.0° |
| N4 | C47 | H82 | 108.9° | 109.5° |
| N4 | C47 | H83 | 108.9° | 109.5° |
| C47 | N4 | H84 | 119.3° | 120.0° |
| N4 | C48 | O22 | 123.0° | 120.0° |
| N4 | C48 | C49 | 116.5° | 120.0° |
| C48 | N4 | H84 | 119.3° | 120.0° |
| O22 | C48 | C49 | 120.5° | 120.0° |
| C48 | C49 | C50 | 109.7° | 109.5° |
| C48 | C49 | H85 | 109.4° | 109.4° |
| C48 | C49 | H86 | 109.4° | 109.5° |
| C49 | C50 | C51 | 111.0° | 109.5° |
| C50 | C49 | H85 | 109.4° | 109.5° |
| C50 | C49 | H86 | 109.4° | 109.5° |
| C49 | C50 | H87 | 109.1° | 109.5° |
| C49 | C50 | H88 | 109.1° | 109.5° |
| C50 | C51 | C52 | 111.0° | 109.5° |
| C51 | C50 | H87 | 109.1° | 109.5° |
| C51 | C50 | H88 | 109.1° | 109.5° |
| C50 | C51 | H89 | 109.1° | 109.5° |
| C50 | C51 | H90 | 109.0° | 109.5° |
| C51 | C52 | C53 | 111.0° | 109.5° |
| C52 | C51 | H89 | 109.1° | 109.5° |
| C52 | C51 | H90 | 109.1° | 109.5° |
| C51 | C52 | H91 | 109.1° | 109.5° |
| C51 | C52 | H92 | 109.1° | 109.5° |
| C52 | C53 | C56 | 113.6° | 110.7° |
| C52 | C53 | S | 110.1° | 110.8° |
| C53 | C52 | H91 | 109.1° | 109.4° |
| C53 | C52 | H92 | 109.1° | 109.5° |
| C52 | C53 | H2 | 109.9° | 110.7° |
| C56 | C53 | S | 106.2° | 102.7° |
| C53 | C56 | C55 | 112.6° | 112.4° |
| C53 | C56 | N6 | 113.4° | 109.2° |
| C56 | C53 | H2 | 109.8° | 110.8° |
| C53 | C56 | H4 | 109.2° | 110.3° |
| C53 | S | C54 | 101.9° | 94.8° |
| S | C53 | H2 | 107.1° | 110.9° |
| C55 | C56 | N6 | 102.1° | 104.0° |
| C56 | C55 | C54 | 113.2° | 112.4° |
| C56 | C55 | N5 | 102.4° | 104.0° |
| C55 | C56 | H4 | 109.1° | 110.2° |
| C56 | C55 | H3 | 109.5° | 110.2° |
| C56 | N6 | C57 | 113.4° | 109.1° |
| N6 | C56 | H4 | 110.3° | 110.6° |
| C56 | N6 | H96 | 123.3° | 125.5° |
| C54 | C55 | N5 | 111.2° | 109.2° |
| C55 | C54 | S | 106.1° | 102.7° |
| C54 | C55 | H3 | 109.6° | 110.2° |
| C55 | C54 | H94 | 110.3° | 110.7° |
| C55 | C54 | H93 | 110.3° | 110.7° |
| C55 | N5 | C57 | 113.3° | 109.1° |
| N5 | C55 | H3 | 110.7° | 110.6° |
| C55 | N5 | H95 | 123.4° | 125.5° |
| S | C54 | H94 | 110.3° | 110.8° |
| S | C54 | H93 | 110.3° | 110.8° |
| N6 | C57 | O21 | 125.6° | 123.0° |
| N6 | C57 | N5 | 108.8° | 113.9° |
| C57 | N6 | H96 | 123.3° | 125.4° |
| O21 | C57 | N5 | 125.6° | 123.1° |
| C57 | N5 | H95 | 123.4° | 125.4° |
| H29 | C20 | H30 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.4° | 109.5° |
| H8 | C2 | H9 | 109.5° | 109.4° |
| H10 | C3 | H11 | 109.5° | 109.5° |
| H12 | C4 | H13 | 109.5° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.5° |
| H19 | C10 | H20 | 109.5° | 109.5° |
| H32 | C22 | H33 | 109.5° | 109.5° |
| H34 | C23 | H35 | 109.5° | 109.5° |
| H36 | C24 | H37 | 109.5° | 109.4° |
| H38 | C25 | H39 | 109.5° | 109.5° |
| H40 | C26 | H41 | 109.5° | 109.5° |
| H42 | C27 | H43 | 109.5° | 109.4° |
| H44 | C28 | H45 | 109.5° | 109.5° |
| H46 | C29 | H47 | 109.5° | 109.5° |
| H48 | C30 | H49 | 109.5° | 109.4° |
| H50 | C31 | H51 | 109.4° | 109.4° |
| H52 | C32 | H53 | 109.5° | 109.5° |
| H54 | C33 | H55 | 109.5° | 109.4° |
| H56 | C34 | H57 | 109.5° | 109.5° |
| H58 | C35 | H59 | 109.4° | 109.5° |
| H60 | C36 | H61 | 109.5° | 109.5° |
| H62 | C37 | H63 | 109.5° | 109.5° |
| H64 | C38 | H65 | 109.5° | 109.4° |
| H66 | C39 | H67 | 109.5° | 109.5° |
| H68 | C40 | H69 | 109.5° | 109.5° |
| H70 | C41 | H71 | 109.5° | 109.5° |
| H72 | C42 | H73 | 109.5° | 109.5° |
| H74 | C43 | H75 | 109.5° | 109.5° |
| H76 | C44 | H77 | 109.5° | 109.5° |
| H78 | C45 | H79 | 109.5° | 109.5° |
| H80 | C46 | H81 | 109.5° | 109.5° |
| H82 | C47 | H83 | 109.5° | 109.4° |
| H85 | C49 | H86 | 109.4° | 109.5° |
| H87 | C50 | H88 | 109.4° | 109.5° |
| H89 | C51 | H90 | 109.5° | 109.5° |
| H91 | C52 | H92 | 109.5° | 109.5° |
| H94 | C54 | H93 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C21 | N3 | C22 | 180.0° | 179.8° |
| O23 | C21 | N3 | C20 | 180.0° | 0.0° |
| O23 | C21 | C22 | C23 | 102.7° | 0.1° |
| O23 | C21 | N3 | H31 | 0.0° | 179.9° |
| O23 | C21 | C22 | H32 | 137.2° | 120.0° |
| O23 | C21 | C22 | H33 | 17.3° | 120.0° |
| C21 | N3 | C20 | H31 | 180.0° | 179.9° |
| C21 | N3 | C20 | C19 | 148.9° | 180.0° |
| N3 | C21 | C22 | C23 | 77.3° | 179.7° |
| C21 | N3 | C20 | H29 | 90.7° | 60.0° |
| C21 | N3 | C20 | H30 | 28.6° | 60.0° |
| N3 | C21 | C22 | H32 | 42.8° | 60.2° |
| N3 | C21 | C22 | H33 | 162.7° | 59.7° |
| C22 | C21 | N3 | C20 | 0.0° | 179.8° |
| C21 | C22 | C23 | H32 | 120.0° | 120.0° |
| C21 | C22 | C23 | H33 | 120.0° | 119.9° |
| C21 | C22 | C23 | O9 | 156.6° | 180.0° |
| C22 | C21 | N3 | H31 | 180.0° | 0.3° |
| C21 | C22 | H32 | H33 | 119.9° | 120.0° |
| C21 | C22 | C23 | H34 | 83.4° | 60.0° |
| C21 | C22 | C23 | H35 | 36.5° | 60.1° |
| N3 | C20 | C19 | H29 | 120.4° | 120.0° |
| N3 | C20 | C19 | H30 | 120.4° | 120.0° |
| N3 | C20 | C19 | O8 | 113.9° | 65.0° |
| N3 | C20 | H29 | H30 | 119.0° | 120.0° |
| N3 | C20 | C19 | H27 | 6.1° | 175.0° |
| N3 | C20 | C19 | H28 | 126.1° | 55.0° |
| C20 | C19 | O8 | H27 | 120.0° | 120.0° |
| C20 | C19 | O8 | H28 | 120.0° | 120.0° |
| C20 | C19 | O8 | C18 | 96.6° | 180.0° |
| C19 | C20 | N3 | H31 | 31.1° | 0.0° |
| C19 | C20 | H29 | H30 | 118.9° | 120.1° |
| C20 | C19 | H27 | H28 | 119.9° | 119.9° |
| C19 | O8 | C18 | C17 | 28.4° | 0.0° |
| C19 | O8 | C18 | C13 | 151.6° | 179.7° |
| O8 | C19 | C20 | H29 | 125.7° | 55.0° |
| O8 | C19 | C20 | H30 | 6.5° | 175.0° |
| O8 | C19 | H27 | H28 | 119.9° | 120.0° |
| O8 | C18 | C17 | C13 | 180.0° | 179.7° |
| O8 | C18 | C17 | C16 | 180.0° | 179.9° |
| O8 | C18 | C13 | C14 | 180.0° | 179.7° |
| O8 | C18 | C13 | C | 0.0° | 0.0° |
| C18 | O8 | C19 | H27 | 23.5° | 60.0° |
| C18 | O8 | C19 | H28 | 143.4° | 60.0° |
| O8 | C18 | C17 | H26 | 0.0° | 0.0° |
| C18 | C17 | C16 | H26 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 0.1° | 0.1° |
| C17 | C18 | C13 | C14 | 0.0° | 0.5° |
| C17 | C18 | C13 | C | 180.0° | 179.7° |
| C18 | C17 | C16 | H25 | 179.9° | 180.0° |
| C13 | C18 | C17 | C16 | 0.0° | 0.3° |
| C18 | C13 | C14 | C15 | 0.0° | 0.5° |
| C18 | C13 | C14 | C | 179.9° | 179.8° |
| C18 | C13 | C | N | 38.2° | 180.0° |
| C18 | C13 | C | O | 141.8° | 0.0° |
| C13 | C18 | C17 | H26 | 180.0° | 179.8° |
| C18 | C13 | C14 | H23 | 180.0° | 179.7° |
| C17 | C16 | C15 | H25 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C17 | C16 | C15 | H24 | 179.9° | 180.0° |
| C16 | C15 | C14 | H24 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.0° | 0.2° |
| C15 | C16 | C17 | H26 | 179.9° | 180.0° |
| C16 | C15 | C14 | H23 | 180.0° | 180.0° |
| C15 | C14 | C13 | H23 | 180.0° | 179.8° |
| C15 | C14 | C13 | C | 180.0° | 179.8° |
| C14 | C15 | C16 | H25 | 179.9° | 179.9° |
| C14 | C13 | C | N | 141.8° | 0.3° |
| C14 | C13 | C | O | 38.3° | 179.7° |
| C13 | C14 | C15 | H24 | 180.0° | 179.8° |
| C13 | C | N | O | 179.9° | 180.0° |
| C13 | C | N | C1 | 180.0° | 180.0° |
| C | C13 | C14 | H23 | 0.0° | 0.0° |
| C13 | C | N | H5 | 0.0° | 0.0° |
| C | N | C1 | H5 | 180.0° | 179.9° |
| C | N | C1 | C2 | 46.8° | 180.0° |
| C | N | C1 | H6 | 167.1° | 60.0° |
| C | N | C1 | H7 | 73.6° | 60.0° |
| O | C | N | C1 | 0.1° | 0.0° |
| O | C | N | H5 | 179.9° | 180.0° |
| N | C1 | C2 | H6 | 120.4° | 119.9° |
| N | C1 | C2 | H7 | 120.4° | 120.0° |
| N | C1 | C2 | C3 | 155.7° | 179.9° |
| N | C1 | H6 | H7 | 118.9° | 120.0° |
| N | C1 | C2 | H8 | 84.1° | 60.0° |
| N | C1 | C2 | H9 | 35.4° | 60.0° |
| C1 | C2 | C3 | H8 | 120.2° | 120.1° |
| C1 | C2 | C3 | H9 | 120.2° | 120.0° |
| C1 | C2 | C3 | C4 | 119.8° | 180.0° |
| C2 | C1 | N | H5 | 133.2° | 0.0° |
| C2 | C1 | H6 | H7 | 118.9° | 120.1° |
| C1 | C2 | H8 | H9 | 119.3° | 120.0° |
| C1 | C2 | C3 | H10 | 120.0° | 60.0° |
| C1 | C2 | C3 | H11 | 0.4° | 60.1° |
| C2 | C3 | C4 | H10 | 120.2° | 120.0° |
| C2 | C3 | C4 | H11 | 120.2° | 119.9° |
| C2 | C3 | C4 | C5 | 100.5° | 180.0° |
| C3 | C2 | C1 | H6 | 35.3° | 60.0° |
| C3 | C2 | C1 | H7 | 84.0° | 60.1° |
| C3 | C2 | H8 | H9 | 119.3° | 120.0° |
| C2 | C3 | H10 | H11 | 119.3° | 120.0° |
| C2 | C3 | C4 | H12 | 139.2° | 60.0° |
| C2 | C3 | C4 | H13 | 19.7° | 60.1° |
| C3 | C4 | C5 | H12 | 120.2° | 120.0° |
| C3 | C4 | C5 | H13 | 120.2° | 120.0° |
| C3 | C4 | C5 | N1 | 52.4° | 64.9° |
| C3 | C4 | C5 | C6 | 175.5° | 175.0° |
| C4 | C3 | C2 | H8 | 0.4° | 59.9° |
| C4 | C3 | C2 | H9 | 120.0° | 60.0° |
| C4 | C3 | H10 | H11 | 119.3° | 120.0° |
| C3 | C4 | H12 | H13 | 119.3° | 120.0° |
| C3 | C4 | C5 | H | 66.6° | 55.1° |
| C4 | C5 | N1 | C6 | 121.8° | 120.0° |
| C4 | C5 | N1 | H | 118.4° | 120.0° |
| C4 | C5 | C6 | H | 117.7° | 119.9° |
| C4 | C5 | N1 | C7 | 69.6° | 155.0° |
| C4 | C5 | C6 | O2 | 27.3° | 120.1° |
| C4 | C5 | C6 | O1 | 152.7° | 60.0° |
| C5 | C4 | C3 | H10 | 19.7° | 60.0° |
| C5 | C4 | C3 | H11 | 139.2° | 60.1° |
| C5 | C4 | H12 | H13 | 119.3° | 120.0° |
| C4 | C5 | N1 | H15 | 110.4° | 25.0° |
| N1 | C5 | C6 | H | 120.2° | 120.0° |
| C5 | N1 | C7 | H15 | 180.0° | 180.0° |
| C5 | N1 | C7 | O7 | 0.1° | 0.0° |
| C5 | N1 | C7 | N2 | 180.0° | 180.0° |
| N1 | C5 | C6 | O2 | 94.7° | 0.0° |
| N1 | C5 | C6 | O1 | 85.2° | 180.0° |
| N1 | C5 | C4 | H12 | 172.6° | 175.0° |
| N1 | C5 | C4 | H13 | 67.8° | 55.0° |
| C6 | C5 | N1 | C7 | 52.2° | 85.0° |
| C5 | C6 | O2 | O1 | 179.9° | 179.9° |
| C6 | C5 | C4 | H12 | 64.3° | 55.0° |
| C6 | C5 | C4 | H13 | 55.2° | 65.0° |
| C6 | C5 | N1 | H15 | 127.8° | 95.0° |
| C5 | C6 | O1 | H14 | 179.9° | 180.0° |
| N1 | C7 | O7 | N2 | 179.9° | 180.0° |
| N1 | C7 | N2 | C8 | 180.0° | 180.0° |
| C7 | N1 | C5 | H | 172.0° | 35.0° |
| N1 | C7 | N2 | H16 | 0.0° | 0.0° |
| O7 | C7 | N2 | C8 | 0.1° | 0.0° |
| O7 | C7 | N1 | H15 | 179.9° | 180.0° |
| O7 | C7 | N2 | H16 | 179.9° | 180.0° |
| C7 | N2 | C8 | H16 | 180.0° | 180.0° |
| C7 | N2 | C8 | C12 | 158.8° | 85.0° |
| C7 | N2 | C8 | C9 | 79.4° | 155.0° |
| N2 | C7 | N1 | H15 | 0.0° | 0.1° |
| C7 | N2 | C8 | H1 | 39.0° | 34.9° |
| N2 | C8 | C12 | C9 | 122.1° | 120.0° |
| N2 | C8 | C12 | H1 | 120.1° | 119.9° |
| N2 | C8 | C9 | H1 | 119.0° | 120.0° |
| N2 | C8 | C12 | O6 | 15.3° | 0.0° |
| N2 | C8 | C12 | O5 | 164.7° | 179.9° |
| N2 | C8 | C9 | C10 | 175.0° | 65.0° |
| N2 | C8 | C9 | H17 | 64.7° | 55.0° |
| N2 | C8 | C9 | H18 | 54.8° | 175.0° |
| C12 | C8 | C9 | H1 | 118.0° | 120.0° |
| C8 | C12 | O6 | O5 | 180.0° | 180.0° |
| C12 | C8 | C9 | C10 | 52.0° | 175.0° |
| C12 | C8 | N2 | H16 | 21.2° | 95.1° |
| C8 | C12 | O5 | H22 | 180.0° | 180.0° |
| C12 | C8 | C9 | H17 | 172.2° | 65.0° |
| C12 | C8 | C9 | H18 | 68.3° | 55.0° |
| C9 | C8 | C12 | O6 | 106.7° | 120.0° |
| C9 | C8 | C12 | O5 | 73.3° | 60.0° |
| C8 | C9 | C10 | H17 | 120.2° | 120.0° |
| C8 | C9 | C10 | H18 | 120.2° | 120.0° |
| C8 | C9 | C10 | C11 | 170.7° | 180.0° |
| C9 | C8 | N2 | H16 | 100.6° | 25.0° |
| C8 | C9 | H17 | H18 | 119.2° | 120.0° |
| C8 | C9 | C10 | H19 | 69.2° | 60.0° |
| C8 | C9 | C10 | H20 | 50.7° | 60.0° |
| O6 | C12 | C8 | H1 | 135.5° | 120.0° |
| O6 | C12 | O5 | H22 | 0.0° | 0.1° |
| O5 | C12 | C8 | H1 | 44.5° | 60.0° |
| C9 | C10 | C11 | H19 | 120.0° | 120.0° |
| C9 | C10 | C11 | H20 | 120.0° | 120.0° |
| C9 | C10 | C11 | O4 | 55.6° | 0.0° |
| C9 | C10 | C11 | O3 | 124.4° | 180.0° |
| C10 | C9 | C8 | H1 | 66.0° | 55.0° |
| C10 | C9 | H17 | H18 | 119.3° | 120.0° |
| C9 | C10 | H19 | H20 | 119.9° | 120.0° |
| C10 | C11 | O4 | O3 | 180.0° | 180.0° |
| C11 | C10 | C9 | H17 | 50.5° | 60.0° |
| C11 | C10 | C9 | H18 | 69.0° | 60.0° |
| C11 | C10 | H19 | H20 | 119.9° | 120.0° |
| C10 | C11 | O3 | H21 | 180.0° | 180.0° |
| O4 | C11 | C10 | H19 | 175.6° | 120.0° |
| O4 | C11 | C10 | H20 | 64.4° | 120.0° |
| O4 | C11 | O3 | H21 | 0.0° | 0.0° |
| O3 | C11 | C10 | H19 | 4.4° | 60.0° |
| O3 | C11 | C10 | H20 | 115.5° | 60.0° |
| O2 | C6 | C5 | H | 145.1° | 120.0° |
| O2 | C6 | O1 | H14 | 0.0° | 0.0° |
| O1 | C6 | C5 | H | 35.0° | 59.9° |
| C22 | C23 | O9 | H34 | 120.0° | 120.0° |
| C22 | C23 | O9 | H35 | 120.0° | 120.0° |
| C22 | C23 | O9 | C24 | 153.5° | 180.0° |
| C23 | C22 | H32 | H33 | 119.9° | 120.0° |
| C22 | C23 | H34 | H35 | 119.9° | 120.0° |
| C23 | O9 | C24 | C25 | 153.5° | 180.0° |
| O9 | C23 | C22 | H32 | 36.6° | 60.0° |
| O9 | C23 | C22 | H33 | 83.4° | 60.0° |
| O9 | C23 | H34 | H35 | 119.9° | 120.0° |
| C23 | O9 | C24 | H36 | 33.5° | 60.0° |
| C23 | O9 | C24 | H37 | 86.5° | 60.0° |
| O9 | C24 | C25 | H36 | 120.0° | 120.0° |
| O9 | C24 | C25 | H37 | 120.0° | 120.0° |
| O9 | C24 | C25 | O10 | 146.4° | 65.0° |
| C24 | O9 | C23 | H34 | 86.5° | 60.0° |
| C24 | O9 | C23 | H35 | 33.5° | 60.0° |
| O9 | C24 | H36 | H37 | 119.9° | 119.9° |
| O9 | C24 | C25 | H38 | 26.4° | 175.0° |
| O9 | C24 | C25 | H39 | 93.5° | 55.0° |
| C24 | C25 | O10 | H38 | 120.1° | 120.0° |
| C24 | C25 | O10 | H39 | 120.0° | 120.0° |
| C24 | C25 | O10 | C26 | 153.6° | 180.0° |
| C25 | C24 | H36 | H37 | 119.9° | 120.0° |
| C24 | C25 | H38 | H39 | 119.9° | 120.0° |
| C25 | O10 | C26 | C27 | 154.9° | 180.0° |
| O10 | C25 | C24 | H36 | 93.5° | 55.0° |
| O10 | C25 | C24 | H37 | 26.4° | 175.0° |
| O10 | C25 | H38 | H39 | 119.9° | 120.0° |
| C25 | O10 | C26 | H40 | 85.0° | 60.0° |
| C25 | O10 | C26 | H41 | 34.9° | 59.9° |
| O10 | C26 | C27 | H40 | 120.1° | 120.0° |
| O10 | C26 | C27 | H41 | 120.0° | 120.0° |
| O10 | C26 | C27 | O11 | 161.9° | 65.0° |
| C26 | O10 | C25 | H38 | 86.3° | 60.1° |
| C26 | O10 | C25 | H39 | 33.6° | 60.0° |
| O10 | C26 | H40 | H41 | 119.8° | 120.0° |
| O10 | C26 | C27 | H42 | 41.9° | 175.0° |
| O10 | C26 | C27 | H43 | 78.1° | 55.0° |
| C26 | C27 | O11 | H42 | 120.1° | 120.0° |
| C26 | C27 | O11 | H43 | 120.0° | 120.0° |
| C26 | C27 | O11 | C28 | 173.2° | 180.0° |
| C27 | C26 | H40 | H41 | 119.9° | 120.0° |
| C26 | C27 | H42 | H43 | 119.9° | 120.0° |
| C27 | O11 | C28 | C29 | 153.9° | 180.0° |
| O11 | C27 | C26 | H40 | 78.0° | 55.0° |
| O11 | C27 | C26 | H41 | 41.9° | 175.0° |
| O11 | C27 | H42 | H43 | 119.9° | 120.0° |
| C27 | O11 | C28 | H44 | 86.0° | 60.0° |
| C27 | O11 | C28 | H45 | 33.9° | 60.0° |
| O11 | C28 | C29 | H44 | 120.0° | 120.0° |
| O11 | C28 | C29 | H45 | 120.0° | 120.0° |
| O11 | C28 | C29 | O12 | 148.6° | 65.0° |
| C28 | O11 | C27 | H42 | 53.2° | 60.0° |
| C28 | O11 | C27 | H43 | 66.8° | 60.0° |
| O11 | C28 | H44 | H45 | 119.9° | 120.1° |
| O11 | C28 | C29 | H46 | 28.5° | 175.1° |
| O11 | C28 | C29 | H47 | 91.4° | 55.0° |
| C28 | C29 | O12 | H46 | 120.1° | 119.9° |
| C28 | C29 | O12 | H47 | 120.0° | 120.0° |
| C28 | C29 | O12 | C30 | 166.2° | 180.0° |
| C29 | C28 | H44 | H45 | 119.9° | 120.0° |
| C28 | C29 | H46 | H47 | 119.8° | 120.1° |
| C29 | O12 | C30 | C31 | 177.5° | 180.0° |
| O12 | C29 | C28 | H44 | 91.4° | 55.0° |
| O12 | C29 | C28 | H45 | 28.5° | 175.0° |
| O12 | C29 | H46 | H47 | 119.9° | 120.0° |
| C29 | O12 | C30 | H48 | 57.5° | 60.0° |
| C29 | O12 | C30 | H49 | 62.5° | 59.9° |
| O12 | C30 | C31 | H48 | 120.1° | 119.9° |
| O12 | C30 | C31 | H49 | 120.0° | 120.1° |
| O12 | C30 | C31 | O13 | 158.4° | 65.0° |
| C30 | O12 | C29 | H46 | 73.7° | 60.1° |
| C30 | O12 | C29 | H47 | 46.2° | 59.9° |
| O12 | C30 | H48 | H49 | 119.9° | 120.0° |
| O12 | C30 | C31 | H50 | 81.6° | 175.0° |
| O12 | C30 | C31 | H51 | 38.3° | 55.1° |
| C30 | C31 | O13 | H50 | 120.1° | 120.0° |
| C30 | C31 | O13 | H51 | 120.1° | 120.0° |
| C30 | C31 | O13 | C32 | 164.3° | 180.0° |
| C31 | C30 | H48 | H49 | 119.9° | 120.0° |
| C30 | C31 | H50 | H51 | 119.9° | 120.0° |
| C31 | O13 | C32 | C33 | 161.1° | 180.0° |
| O13 | C31 | C30 | H48 | 38.3° | 55.0° |
| O13 | C31 | C30 | H49 | 81.6° | 175.0° |
| O13 | C31 | H50 | H51 | 119.9° | 120.0° |
| C31 | O13 | C32 | H52 | 41.1° | 60.1° |
| C31 | O13 | C32 | H53 | 78.8° | 60.0° |
| O13 | C32 | C33 | H52 | 120.0° | 120.0° |
| O13 | C32 | C33 | H53 | 120.0° | 120.0° |
| O13 | C32 | C33 | O14 | 165.9° | 65.0° |
| C32 | O13 | C31 | H50 | 44.2° | 60.0° |
| C32 | O13 | C31 | H51 | 75.7° | 59.9° |
| O13 | C32 | H52 | H53 | 119.9° | 120.1° |
| O13 | C32 | C33 | H54 | 45.9° | 175.0° |
| O13 | C32 | C33 | H55 | 74.1° | 55.0° |
| C32 | C33 | O14 | H54 | 120.0° | 120.1° |
| C32 | C33 | O14 | H55 | 120.0° | 119.9° |
| C32 | C33 | O14 | C34 | 174.0° | 180.0° |
| C33 | C32 | H52 | H53 | 119.9° | 119.9° |
| C32 | C33 | H54 | H55 | 119.9° | 120.0° |
| C33 | O14 | C34 | C35 | 179.8° | 180.0° |
| O14 | C33 | C32 | H52 | 74.0° | 55.1° |
| O14 | C33 | C32 | H53 | 45.9° | 175.0° |
| O14 | C33 | H54 | H55 | 119.9° | 120.0° |
| C33 | O14 | C34 | H56 | 60.2° | 60.0° |
| C33 | O14 | C34 | H57 | 59.7° | 60.0° |
| O14 | C34 | C35 | H56 | 120.0° | 120.0° |
| O14 | C34 | C35 | H57 | 120.0° | 120.0° |
| O14 | C34 | C35 | O15 | 178.4° | 65.0° |
| C34 | O14 | C33 | H54 | 54.0° | 60.0° |
| C34 | O14 | C33 | H55 | 66.0° | 60.0° |
| O14 | C34 | H56 | H57 | 119.8° | 120.1° |
| O14 | C34 | C35 | H58 | 61.5° | 175.0° |
| O14 | C34 | C35 | H59 | 58.4° | 55.0° |
| C34 | C35 | O15 | H58 | 120.1° | 120.0° |
| C34 | C35 | O15 | H59 | 120.0° | 120.0° |
| C34 | C35 | O15 | C36 | 176.2° | 180.0° |
| C35 | C34 | H56 | H57 | 119.9° | 120.0° |
| C34 | C35 | H58 | H59 | 119.8° | 120.0° |
| C35 | O15 | C36 | C37 | 176.2° | 180.0° |
| O15 | C35 | C34 | H56 | 58.4° | 55.0° |
| O15 | C35 | C34 | H57 | 61.5° | 175.0° |
| O15 | C35 | H58 | H59 | 119.9° | 120.0° |
| C35 | O15 | C36 | H60 | 56.1° | 60.0° |
| C35 | O15 | C36 | H61 | 63.8° | 59.9° |
| O15 | C36 | C37 | H60 | 120.0° | 120.0° |
| O15 | C36 | C37 | H61 | 120.0° | 120.0° |
| O15 | C36 | C37 | O16 | 177.1° | 65.0° |
| C36 | O15 | C35 | H58 | 56.1° | 60.0° |
| C36 | O15 | C35 | H59 | 63.8° | 60.0° |
| O15 | C36 | H60 | H61 | 119.9° | 119.9° |
| O15 | C36 | C37 | H62 | 57.1° | 175.0° |
| O15 | C36 | C37 | H63 | 62.8° | 55.0° |
| C36 | C37 | O16 | H62 | 120.1° | 120.0° |
| C36 | C37 | O16 | H63 | 120.0° | 120.0° |
| C36 | C37 | O16 | C38 | 178.4° | 180.0° |
| C37 | C36 | H60 | H61 | 119.8° | 120.0° |
| C36 | C37 | H62 | H63 | 119.9° | 120.0° |
| C37 | O16 | C38 | C39 | 179.8° | 180.0° |
| O16 | C37 | C36 | H60 | 62.8° | 55.0° |
| O16 | C37 | C36 | H61 | 57.1° | 175.0° |
| O16 | C37 | H62 | H63 | 119.9° | 120.0° |
| C37 | O16 | C38 | H64 | 60.2° | 60.0° |
| C37 | O16 | C38 | H65 | 59.7° | 59.9° |
| O16 | C38 | C39 | H64 | 120.0° | 120.0° |
| O16 | C38 | C39 | H65 | 120.0° | 120.0° |
| O16 | C38 | C39 | O17 | 178.6° | 65.0° |
| C38 | O16 | C37 | H62 | 58.4° | 60.0° |
| C38 | O16 | C37 | H63 | 61.6° | 60.0° |
| O16 | C38 | H64 | H65 | 119.9° | 120.0° |
| O16 | C38 | C39 | H66 | 58.6° | 175.1° |
| O16 | C38 | C39 | H67 | 61.3° | 55.0° |
| C38 | C39 | O17 | H66 | 120.0° | 120.0° |
| C38 | C39 | O17 | H67 | 120.1° | 120.0° |
| C38 | C39 | O17 | C40 | 178.9° | 180.0° |
| C39 | C38 | H64 | H65 | 119.9° | 120.0° |
| C38 | C39 | H66 | H67 | 119.9° | 120.1° |
| C39 | O17 | C40 | C41 | 179.0° | 180.0° |
| O17 | C39 | C38 | H64 | 61.4° | 55.0° |
| O17 | C39 | C38 | H65 | 58.6° | 175.0° |
| O17 | C39 | H66 | H67 | 119.9° | 120.0° |
| C39 | O17 | C40 | H68 | 61.0° | 60.1° |
| C39 | O17 | C40 | H69 | 59.0° | 59.9° |
| O17 | C40 | C41 | H68 | 120.0° | 119.9° |
| O17 | C40 | C41 | H69 | 120.0° | 120.1° |
| O17 | C40 | C41 | O18 | 179.8° | 65.0° |
| C40 | O17 | C39 | H66 | 61.1° | 60.1° |
| C40 | O17 | C39 | H67 | 58.8° | 59.9° |
| O17 | C40 | H68 | H69 | 119.9° | 120.1° |
| O17 | C40 | C41 | H70 | 60.2° | 175.1° |
| O17 | C40 | C41 | H71 | 59.8° | 55.0° |
| C40 | C41 | O18 | H70 | 120.0° | 120.0° |
| C40 | C41 | O18 | H71 | 120.0° | 120.0° |
| C40 | C41 | O18 | C42 | 179.1° | 180.0° |
| C41 | C40 | H68 | H69 | 119.9° | 120.0° |
| C40 | C41 | H70 | H71 | 119.9° | 120.0° |
| C41 | O18 | C42 | C43 | 176.9° | 180.0° |
| O18 | C41 | C40 | H68 | 59.7° | 55.0° |
| O18 | C41 | C40 | H69 | 60.2° | 174.9° |
| O18 | C41 | H70 | H71 | 119.9° | 120.0° |
| C41 | O18 | C42 | H72 | 63.0° | 60.0° |
| C41 | O18 | C42 | H73 | 56.9° | 60.0° |
| O18 | C42 | C43 | H72 | 120.0° | 120.0° |
| O18 | C42 | C43 | H73 | 120.0° | 120.0° |
| O18 | C42 | C43 | O19 | 170.4° | 65.0° |
| C42 | O18 | C41 | H70 | 59.0° | 60.0° |
| C42 | O18 | C41 | H71 | 60.9° | 60.0° |
| O18 | C42 | H72 | H73 | 119.9° | 120.0° |
| O18 | C42 | C43 | H74 | 50.4° | 175.0° |
| O18 | C42 | C43 | H75 | 69.5° | 55.0° |
| C42 | C43 | O19 | H74 | 120.0° | 120.0° |
| C42 | C43 | O19 | H75 | 120.1° | 120.0° |
| C42 | C43 | O19 | C44 | 165.4° | 180.0° |
| C43 | C42 | H72 | H73 | 119.9° | 120.0° |
| C42 | C43 | H74 | H75 | 119.9° | 120.0° |
| C43 | O19 | C44 | C45 | 169.0° | 180.0° |
| O19 | C43 | C42 | H72 | 69.5° | 55.0° |
| O19 | C43 | C42 | H73 | 50.4° | 175.0° |
| O19 | C43 | H74 | H75 | 119.9° | 120.0° |
| C43 | O19 | C44 | H76 | 71.0° | 60.0° |
| C43 | O19 | C44 | H77 | 49.0° | 60.0° |
| O19 | C44 | C45 | H76 | 120.0° | 120.0° |
| O19 | C44 | C45 | H77 | 120.1° | 120.0° |
| O19 | C44 | C45 | O20 | 170.4° | 65.0° |
| C44 | O19 | C43 | H74 | 74.6° | 60.0° |
| C44 | O19 | C43 | H75 | 45.3° | 60.0° |
| O19 | C44 | H76 | H77 | 119.9° | 120.0° |
| O19 | C44 | C45 | H78 | 69.6° | 175.0° |
| O19 | C44 | C45 | H79 | 50.3° | 55.0° |
| C44 | C45 | O20 | H78 | 120.0° | 120.0° |
| C44 | C45 | O20 | H79 | 120.1° | 119.9° |
| C44 | C45 | O20 | C46 | 175.1° | 180.0° |
| C45 | C44 | H76 | H77 | 119.8° | 120.0° |
| C44 | C45 | H78 | H79 | 119.9° | 120.0° |
| C45 | O20 | C46 | C47 | 169.5° | 180.0° |
| O20 | C45 | C44 | H76 | 50.3° | 55.0° |
| O20 | C45 | C44 | H77 | 69.6° | 175.0° |
| O20 | C45 | H78 | H79 | 119.9° | 120.0° |
| C45 | O20 | C46 | H80 | 70.5° | 60.0° |
| C45 | O20 | C46 | H81 | 49.4° | 60.1° |
| O20 | C46 | C47 | H80 | 120.0° | 120.0° |
| O20 | C46 | C47 | H81 | 120.0° | 120.0° |
| O20 | C46 | C47 | N4 | 162.2° | 65.0° |
| C46 | O20 | C45 | H78 | 64.9° | 60.0° |
| C46 | O20 | C45 | H79 | 55.0° | 60.1° |
| O20 | C46 | H80 | H81 | 119.9° | 120.1° |
| O20 | C46 | C47 | H82 | 77.5° | 175.0° |
| O20 | C46 | C47 | H83 | 41.8° | 55.0° |
| C46 | C47 | N4 | H82 | 120.4° | 120.0° |
| C46 | C47 | N4 | H83 | 120.3° | 120.0° |
| C46 | C47 | N4 | C48 | 54.9° | 180.0° |
| C47 | C46 | H80 | H81 | 119.9° | 119.9° |
| C46 | C47 | H82 | H83 | 118.9° | 119.9° |
| C46 | C47 | N4 | H84 | 125.1° | 0.0° |
| C47 | N4 | C48 | H84 | 180.0° | 180.0° |
| C47 | N4 | C48 | O22 | 0.0° | 0.0° |
| C47 | N4 | C48 | C49 | 180.0° | 180.0° |
| N4 | C47 | C46 | H80 | 42.2° | 55.0° |
| N4 | C47 | C46 | H81 | 77.8° | 175.0° |
| N4 | C47 | H82 | H83 | 118.9° | 120.0° |
| N4 | C48 | O22 | C49 | 180.0° | 180.0° |
| N4 | C48 | C49 | C50 | 146.8° | 180.0° |
| C48 | N4 | C47 | H82 | 65.5° | 60.0° |
| C48 | N4 | C47 | H83 | 175.2° | 60.0° |
| N4 | C48 | C49 | H85 | 93.1° | 60.0° |
| N4 | C48 | C49 | H86 | 26.8° | 60.1° |
| O22 | C48 | C49 | C50 | 33.2° | 0.0° |
| O22 | C48 | N4 | H84 | 180.0° | 180.0° |
| O22 | C48 | C49 | H85 | 86.8° | 120.0° |
| O22 | C48 | C49 | H86 | 153.3° | 119.9° |
| C48 | C49 | C50 | H85 | 120.1° | 120.0° |
| C48 | C49 | C50 | H86 | 120.1° | 120.0° |
| C48 | C49 | C50 | C51 | 177.4° | 180.0° |
| C49 | C48 | N4 | H84 | 0.0° | 0.0° |
| C48 | C49 | H85 | H86 | 119.9° | 120.0° |
| C48 | C49 | C50 | H87 | 62.3° | 60.0° |
| C48 | C49 | C50 | H88 | 57.2° | 60.0° |
| C49 | C50 | C51 | H87 | 120.3° | 120.0° |
| C49 | C50 | C51 | H88 | 120.2° | 120.0° |
| C49 | C50 | C51 | C52 | 171.9° | 180.0° |
| C50 | C49 | H85 | H86 | 119.9° | 120.0° |
| C49 | C50 | H87 | H88 | 119.3° | 120.0° |
| C49 | C50 | C51 | H89 | 67.8° | 60.0° |
| C49 | C50 | C51 | H90 | 51.7° | 60.0° |
| C50 | C51 | C52 | H89 | 120.2° | 120.0° |
| C50 | C51 | C52 | H90 | 120.2° | 120.0° |
| C50 | C51 | C52 | C53 | 135.8° | 180.0° |
| C51 | C50 | C49 | H85 | 57.4° | 60.1° |
| C51 | C50 | C49 | H86 | 62.5° | 60.0° |
| C51 | C50 | H87 | H88 | 119.3° | 120.0° |
| C50 | C51 | H89 | H90 | 119.2° | 120.0° |
| C50 | C51 | C52 | H91 | 104.0° | 60.1° |
| C50 | C51 | C52 | H92 | 15.5° | 60.0° |
| C51 | C52 | C53 | H91 | 120.2° | 120.0° |
| C51 | C52 | C53 | H92 | 120.2° | 120.0° |
| C51 | C52 | C53 | C56 | 177.0° | 175.0° |
| C51 | C52 | C53 | S | 58.1° | 71.7° |
| C52 | C51 | C50 | H87 | 51.6° | 60.0° |
| C52 | C51 | C50 | H88 | 67.9° | 60.0° |
| C52 | C51 | H89 | H90 | 119.3° | 120.0° |
| C51 | C52 | H91 | H92 | 119.3° | 120.0° |
| C51 | C52 | C53 | H2 | 59.6° | 51.7° |
| C52 | C53 | C56 | S | 121.1° | 118.3° |
| C52 | C53 | C56 | H2 | 123.4° | 123.2° |
| C52 | C53 | S | H2 | 119.4° | 123.3° |
| C52 | C53 | C56 | C55 | 123.6° | 142.9° |
| C52 | C53 | C56 | N6 | 8.3° | 28.1° |
| C52 | C53 | S | C54 | 125.1° | 153.0° |
| C53 | C52 | C51 | H89 | 15.5° | 60.0° |
| C53 | C52 | C51 | H90 | 104.0° | 60.0° |
| C53 | C52 | H91 | H92 | 119.3° | 120.0° |
| C52 | C53 | C56 | H4 | 115.1° | 93.6° |
| C56 | C53 | S | H2 | 117.3° | 118.4° |
| C53 | C56 | C55 | N6 | 122.0° | 118.0° |
| C53 | C56 | C55 | H4 | 121.4° | 123.4° |
| C53 | C56 | N6 | H4 | 122.8° | 121.5° |
| C53 | C56 | C55 | C54 | 2.3° | 0.0° |
| C53 | C56 | C55 | N5 | 122.1° | 118.0° |
| C56 | C53 | S | C54 | 1.8° | 34.7° |
| C53 | C56 | N6 | C57 | 121.6° | 120.2° |
| C56 | C53 | C52 | H91 | 62.8° | 55.0° |
| C56 | C53 | C52 | H92 | 56.8° | 65.0° |
| C53 | C56 | C55 | H3 | 120.3° | 123.4° |
| C53 | C56 | N6 | H96 | 58.4° | 59.9° |
| S | C53 | C56 | C55 | 2.5° | 24.6° |
| S | C53 | C56 | N6 | 112.8° | 90.2° |
| C53 | S | C54 | C55 | 0.6° | 34.7° |
| S | C53 | C52 | H91 | 178.3° | 168.3° |
| S | C53 | C52 | H92 | 62.1° | 48.2° |
| S | C53 | C56 | H4 | 123.8° | 148.0° |
| C53 | S | C54 | H94 | 118.9° | 83.6° |
| C53 | S | C54 | H93 | 120.0° | 153.0° |
| C55 | C56 | N6 | H4 | 115.8° | 118.3° |
| C56 | C55 | C54 | N5 | 114.7° | 114.9° |
| C56 | C55 | C54 | H3 | 122.5° | 123.4° |
| C56 | C55 | N5 | H3 | 116.7° | 118.3° |
| C56 | C55 | C54 | S | 0.9° | 24.6° |
| C55 | C56 | N6 | C57 | 0.2° | 0.0° |
| C56 | C55 | N5 | C57 | 0.1° | 0.0° |
| C55 | C56 | C53 | H2 | 113.0° | 93.8° |
| C56 | C55 | C54 | H94 | 120.4° | 93.7° |
| C56 | C55 | C54 | H93 | 118.6° | 142.9° |
| C55 | C56 | N6 | H96 | 179.8° | 179.9° |
| C56 | C55 | N5 | H95 | 179.9° | 180.0° |
| N6 | C56 | C55 | C54 | 119.7° | 118.0° |
| N6 | C56 | C55 | N5 | 0.2° | 0.0° |
| C56 | N6 | C57 | H96 | 180.0° | 179.9° |
| C56 | N6 | C57 | O21 | 179.9° | 180.0° |
| C56 | N6 | C57 | N5 | 0.1° | 0.0° |
| N6 | C56 | C53 | H2 | 131.7° | 151.3° |
| N6 | C56 | C55 | H3 | 117.7° | 118.6° |
| C54 | C55 | N5 | H3 | 122.2° | 121.5° |
| C55 | C54 | S | H94 | 119.5° | 118.3° |
| C55 | C54 | S | H93 | 119.5° | 118.3° |
| C54 | C55 | N5 | C57 | 121.1° | 120.2° |
| C54 | C55 | C56 | H4 | 123.6° | 123.4° |
| C55 | C54 | H94 | H93 | 121.5° | 123.3° |
| C54 | C55 | N5 | H95 | 58.9° | 59.9° |
| N5 | C55 | C54 | S | 115.6° | 90.3° |
| C55 | N5 | C57 | N6 | 0.0° | 0.0° |
| C55 | N5 | C57 | O21 | 179.9° | 180.0° |
| C55 | N5 | C57 | H95 | 180.0° | 180.0° |
| N5 | C55 | C56 | H4 | 116.5° | 118.5° |
| N5 | C55 | C54 | H94 | 124.9° | 151.4° |
| N5 | C55 | C54 | H93 | 3.9° | 28.0° |
| C54 | S | C53 | H2 | 115.5° | 83.7° |
| S | C54 | C55 | H3 | 121.6° | 148.0° |
| S | C54 | H94 | H93 | 121.5° | 123.4° |
| N6 | C57 | O21 | N5 | 180.0° | 180.0° |
| C57 | N6 | C56 | H4 | 115.6° | 118.3° |
| N6 | C57 | N5 | H95 | 180.0° | 180.0° |
| O21 | C57 | N6 | H96 | 0.1° | 0.1° |
| O21 | C57 | N5 | H95 | 0.0° | 0.0° |
| C57 | N5 | C55 | H3 | 116.8° | 118.4° |
| N5 | C57 | N6 | H96 | 179.9° | 179.9° |
| H31 | N3 | C20 | H29 | 89.2° | 119.9° |
| H31 | N3 | C20 | H30 | 151.4° | 120.1° |
| H29 | C20 | C19 | H27 | 114.2° | 65.1° |
| H29 | C20 | C19 | H28 | 5.7° | 175.0° |
| H30 | C20 | C19 | H27 | 126.5° | 55.0° |
| H30 | C20 | C19 | H28 | 113.6° | 64.9° |
| H26 | C17 | C16 | H25 | 0.1° | 0.1° |
| H25 | C16 | C15 | H24 | 0.0° | 0.1° |
| H24 | C15 | C14 | H23 | 0.0° | 0.0° |
| H5 | N | C1 | H6 | 12.9° | 120.0° |
| H5 | N | C1 | H7 | 106.4° | 120.0° |
| H6 | C1 | C2 | H8 | 155.5° | 179.9° |
| H6 | C1 | C2 | H9 | 85.0° | 60.0° |
| H7 | C1 | C2 | H8 | 36.2° | 60.0° |
| H7 | C1 | C2 | H9 | 155.8° | 180.0° |
| H8 | C2 | C3 | H10 | 119.8° | 179.9° |
| H8 | C2 | C3 | H11 | 120.6° | 60.0° |
| H9 | C2 | C3 | H10 | 0.2° | 60.0° |
| H9 | C2 | C3 | H11 | 119.8° | 179.9° |
| H10 | C3 | C4 | H12 | 100.6° | 180.0° |
| H10 | C3 | C4 | H13 | 139.9° | 60.0° |
| H11 | C3 | C4 | H12 | 19.0° | 59.9° |
| H11 | C3 | C4 | H13 | 100.5° | 180.0° |
| H12 | C4 | C5 | H | 53.6° | 65.0° |
| H13 | C4 | C5 | H | 173.1° | 175.0° |
| H | C5 | N1 | H15 | 8.0° | 145.0° |
| H16 | N2 | C8 | H1 | 140.9° | 145.0° |
| H1 | C8 | C9 | H17 | 54.3° | 175.0° |
| H1 | C8 | C9 | H18 | 173.8° | 65.0° |
| H17 | C9 | C10 | H19 | 170.6° | 179.9° |
| H17 | C9 | C10 | H20 | 69.5° | 60.1° |
| H18 | C9 | C10 | H19 | 51.0° | 60.0° |
| H18 | C9 | C10 | H20 | 170.9° | 180.0° |
| H32 | C22 | C23 | H34 | 156.6° | 180.0° |
| H32 | C22 | C23 | H35 | 83.5° | 60.0° |
| H33 | C22 | C23 | H34 | 36.6° | 60.0° |
| H33 | C22 | C23 | H35 | 156.6° | 180.0° |
| H36 | C24 | C25 | H38 | 146.4° | 64.9° |
| H36 | C24 | C25 | H39 | 26.5° | 175.0° |
| H37 | C24 | C25 | H38 | 93.6° | 55.1° |
| H37 | C24 | C25 | H39 | 146.5° | 65.0° |
| H40 | C26 | C27 | H42 | 161.9° | 65.0° |
| H40 | C26 | C27 | H43 | 42.0° | 175.0° |
| H41 | C26 | C27 | H42 | 78.2° | 55.0° |
| H41 | C26 | C27 | H43 | 161.9° | 65.0° |
| H44 | C28 | C29 | H46 | 148.5° | 64.9° |
| H44 | C28 | C29 | H47 | 28.6° | 175.0° |
| H45 | C28 | C29 | H46 | 91.5° | 55.1° |
| H45 | C28 | C29 | H47 | 148.6° | 65.0° |
| H48 | C30 | C31 | H50 | 158.4° | 65.0° |
| H48 | C30 | C31 | H51 | 81.7° | 175.0° |
| H49 | C30 | C31 | H50 | 38.4° | 54.9° |
| H49 | C30 | C31 | H51 | 158.3° | 65.0° |
| H52 | C32 | C33 | H54 | 165.9° | 65.0° |
| H52 | C32 | C33 | H55 | 46.0° | 175.0° |
| H53 | C32 | C33 | H54 | 74.2° | 55.0° |
| H53 | C32 | C33 | H55 | 165.9° | 65.0° |
| H56 | C34 | C35 | H58 | 178.5° | 65.0° |
| H56 | C34 | C35 | H59 | 61.6° | 175.0° |
| H57 | C34 | C35 | H58 | 58.5° | 55.0° |
| H57 | C34 | C35 | H59 | 178.4° | 65.0° |
| H60 | C36 | C37 | H62 | 177.1° | 65.0° |
| H60 | C36 | C37 | H63 | 57.2° | 175.0° |
| H61 | C36 | C37 | H62 | 63.0° | 55.0° |
| H61 | C36 | C37 | H63 | 177.1° | 65.0° |
| H64 | C38 | C39 | H66 | 178.6° | 64.9° |
| H64 | C38 | C39 | H67 | 58.7° | 175.0° |
| H65 | C38 | C39 | H66 | 61.5° | 55.0° |
| H65 | C38 | C39 | H67 | 178.6° | 65.1° |
| H68 | C40 | C41 | H70 | 179.8° | 65.0° |
| H68 | C40 | C41 | H71 | 60.3° | 175.0° |
| H69 | C40 | C41 | H70 | 59.8° | 55.0° |
| H69 | C40 | C41 | H71 | 179.8° | 65.0° |
| H72 | C42 | C43 | H74 | 170.4° | 65.0° |
| H72 | C42 | C43 | H75 | 50.5° | 175.0° |
| H73 | C42 | C43 | H74 | 69.6° | 55.0° |
| H73 | C42 | C43 | H75 | 170.4° | 65.0° |
| H76 | C44 | C45 | H78 | 170.4° | 65.0° |
| H76 | C44 | C45 | H79 | 69.7° | 174.9° |
| H77 | C44 | C45 | H78 | 50.5° | 55.0° |
| H77 | C44 | C45 | H79 | 170.4° | 65.1° |
| H80 | C46 | C47 | H82 | 162.5° | 65.0° |
| H80 | C46 | C47 | H83 | 78.2° | 175.1° |
| H81 | C46 | C47 | H82 | 42.6° | 54.9° |
| H81 | C46 | C47 | H83 | 161.9° | 65.0° |
| H82 | C47 | N4 | H84 | 114.5° | 120.0° |
| H83 | C47 | N4 | H84 | 4.8° | 120.0° |
| H85 | C49 | C50 | H87 | 177.6° | 180.0° |
| H85 | C49 | C50 | H88 | 62.9° | 60.0° |
| H86 | C49 | C50 | H87 | 57.7° | 60.0° |
| H86 | C49 | C50 | H88 | 177.2° | 179.9° |
| H87 | C50 | C51 | H89 | 171.9° | 180.0° |
| H87 | C50 | C51 | H90 | 68.6° | 60.0° |
| H88 | C50 | C51 | H89 | 52.4° | 60.0° |
| H88 | C50 | C51 | H90 | 171.9° | NaN° |
| H89 | C51 | C52 | H91 | 135.8° | 180.0° |
| H89 | C51 | C52 | H92 | 104.7° | 60.0° |
| H90 | C51 | C52 | H91 | 16.2° | 60.0° |
| H90 | C51 | C52 | H92 | 135.8° | 179.9° |
| H91 | C52 | C53 | H2 | 60.6° | 68.2° |
| H92 | C52 | C53 | H2 | 179.9° | 171.7° |
| H2 | C53 | C56 | H4 | 8.3° | 29.6° |
| H4 | C56 | C55 | H3 | 1.0° | 0.0° |
| H4 | C56 | N6 | H96 | 64.4° | 61.6° |
| H3 | C55 | C54 | H94 | 2.1° | 29.7° |
| H3 | C55 | C54 | H93 | 118.9° | 93.7° |
| H3 | C55 | N5 | H95 | 63.2° | 61.6° |
