J96
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C12 | doub | 1.21Å | 1.22Å | |
| C12 | N2 | sing | 1.35Å | 1.34Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| N2 | C11 | sing | 1.46Å | 1.45Å | |
| 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 | 1.47Å | 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 | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C19 | doub | 1.39Å | 1.48Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | O7 | sing | 1.36Å | 1.37Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| O7 | C20 | sing | 1.43Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | N3 | sing | 1.46Å | 1.45Å | |
| N3 | C22 | sing | 1.35Å | 1.33Å | |
| C22 | O22 | doub | 1.21Å | 1.22Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | O8 | sing | 1.43Å | 1.42Å | |
| O8 | C25 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | O9 | sing | 1.43Å | 1.43Å | |
| O9 | C27 | sing | 1.43Å | 1.43Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | O10 | sing | 1.43Å | 1.43Å | |
| O10 | C29 | sing | 1.43Å | 1.43Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | O11 | sing | 1.43Å | 1.43Å | |
| O11 | C31 | sing | 1.43Å | 1.43Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | O12 | sing | 1.43Å | 1.43Å | |
| O12 | C33 | sing | 1.43Å | 1.43Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C34 | O13 | sing | 1.43Å | 1.43Å | |
| O13 | C35 | sing | 1.43Å | 1.43Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C36 | O14 | sing | 1.43Å | 1.43Å | |
| O14 | C37 | sing | 1.43Å | 1.43Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C38 | O15 | sing | 1.43Å | 1.43Å | |
| O15 | C39 | sing | 1.43Å | 1.43Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C40 | O16 | sing | 1.43Å | 1.43Å | |
| O16 | C41 | sing | 1.43Å | 1.43Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C42 | O17 | sing | 1.43Å | 1.43Å | |
| O17 | C43 | sing | 1.43Å | 1.43Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C44 | O18 | sing | 1.43Å | 1.43Å | |
| O18 | C45 | sing | 1.43Å | 1.43Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C46 | O19 | sing | 1.43Å | 1.43Å | |
| O19 | C47 | sing | 1.43Å | 1.43Å | |
| C47 | C48 | sing | 1.53Å | 1.52Å | |
| C48 | N4 | sing | 1.46Å | 1.45Å | |
| N4 | C49 | sing | 1.35Å | 1.33Å | |
| C49 | O21 | doub | 1.21Å | 1.22Å | |
| C49 | C50 | sing | 1.51Å | 1.51Å | |
| C50 | C51 | sing | 1.53Å | 1.52Å | |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| C52 | C53 | sing | 1.53Å | 1.52Å | |
| C53 | C54 | sing | 1.53Å | 1.53Å | |
| C54 | C57 | sing | 1.54Å | 1.53Å | |
| C54 | S | sing | 1.84Å | 1.76Å | |
| C57 | C56 | sing | 1.53Å | 1.54Å | |
| C57 | N6 | sing | 1.47Å | 1.45Å | |
| C56 | C55 | sing | 1.54Å | 1.53Å | |
| C56 | N5 | sing | 1.47Å | 1.45Å | |
| C55 | S | sing | 1.84Å | 1.76Å | |
| N6 | C58 | sing | 1.34Å | 1.33Å | |
| C58 | O20 | doub | 1.22Å | 1.22Å | |
| C58 | N5 | sing | 1.34Å | 1.33Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| 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 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.08Å | 1.08Å | |
| C17 | H27 | sing | 1.08Å | 1.08Å | |
| C16 | H26 | sing | 1.08Å | 1.08Å | |
| C15 | H25 | sing | 1.08Å | 1.08Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| N3 | H33 | sing | 0.97Å | 1.00Å | |
| 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 | |
| C48 | H84 | sing | 1.09Å | 1.10Å | |
| C48 | H85 | sing | 1.09Å | 1.10Å | |
| N4 | H86 | sing | 0.97Å | 1.00Å | |
| 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 | H93 | sing | 1.09Å | 1.10Å | |
| C53 | H94 | sing | 1.09Å | 1.10Å | |
| C54 | H2 | sing | 1.09Å | 1.10Å | |
| C57 | H4 | sing | 1.09Å | 1.10Å | |
| C56 | H3 | sing | 1.09Å | 1.10Å | |
| C55 | H96 | sing | 1.09Å | 1.10Å | |
| C55 | H95 | sing | 1.09Å | 1.10Å | |
| N6 | H98 | sing | 0.97Å | 1.00Å | |
| N5 | H97 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C12 | N2 | 122.0° | 120.0° |
| O23 | C12 | C13 | 119.6° | 120.0° |
| N2 | C12 | C13 | 118.4° | 120.0° |
| C12 | N2 | C11 | 123.2° | 120.0° |
| C12 | N2 | H22 | 118.4° | 120.0° |
| C12 | C13 | C14 | 109.8° | 109.5° |
| C12 | C13 | H23 | 109.4° | 109.5° |
| C12 | C13 | H24 | 109.4° | 109.5° |
| N2 | C11 | C10 | 111.8° | 109.5° |
| C11 | N2 | H22 | 118.4° | 120.0° |
| N2 | C11 | H20 | 108.9° | 109.4° |
| N2 | C11 | H21 | 108.9° | 109.4° |
| C11 | C10 | C9 | 111.0° | 109.5° |
| C10 | C11 | H20 | 108.9° | 109.5° |
| C10 | C11 | H21 | 108.9° | 109.5° |
| C11 | C10 | H18 | 109.1° | 109.5° |
| C11 | C10 | H19 | 109.1° | 109.5° |
| C10 | C9 | C8 | 110.9° | 109.5° |
| C9 | C10 | H18 | 109.1° | 109.5° |
| C9 | C10 | H19 | 109.1° | 109.5° |
| C10 | C9 | H16 | 109.1° | 109.5° |
| C10 | C9 | H17 | 109.1° | 109.5° |
| C9 | C8 | C1 | 111.0° | 109.5° |
| C8 | C9 | H16 | 109.1° | 109.5° |
| C8 | C9 | H17 | 109.1° | 109.4° |
| C9 | C8 | H14 | 109.1° | 109.4° |
| C9 | C8 | H15 | 109.1° | 109.4° |
| C8 | C1 | N | 110.0° | 109.5° |
| C8 | C1 | C | 109.5° | 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° | 120.1° |
| N | C1 | H | 109.1° | 109.4° |
| C1 | N | H6 | 119.2° | 120.0° |
| C1 | C | O1 | 120.2° | 120.0° |
| C1 | C | O | 120.6° | 120.0° |
| C | C1 | H | 108.5° | 109.5° |
| N | C2 | O6 | 121.0° | 120.0° |
| N | C2 | N1 | 118.0° | 120.0° |
| C2 | N | H6 | 119.3° | 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 | 119.3° | 120.0° |
| N1 | C3 | H1 | 109.1° | 109.5° |
| C7 | C3 | C4 | 109.5° | 109.4° |
| C3 | C7 | O5 | 120.7° | 120.0° |
| C3 | C7 | O4 | 120.1° | 120.0° |
| C7 | C3 | H1 | 108.4° | 109.5° |
| C3 | C4 | C5 | 111.0° | 109.5° |
| C4 | C3 | H1 | 108.2° | 109.5° |
| C3 | C4 | H8 | 109.1° | 109.5° |
| C3 | C4 | H9 | 109.1° | 109.5° |
| O5 | C7 | O4 | 119.2° | 120.0° |
| C7 | O4 | H13 | 109.5° | 117.0° |
| C4 | C5 | C6 | 109.8° | 109.5° |
| C5 | C4 | H8 | 109.1° | 109.4° |
| C5 | C4 | H9 | 109.1° | 109.4° |
| C4 | C5 | H10 | 109.4° | 109.5° |
| C4 | C5 | H11 | 109.4° | 109.5° |
| C5 | C6 | O3 | 120.5° | 120.0° |
| C5 | C6 | O2 | 120.5° | 120.0° |
| 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 | 119.1° | 120.0° |
| C | O1 | H5 | 109.5° | 116.9° |
| C13 | C14 | C19 | 120.5° | 120.1° |
| C13 | C14 | C15 | 120.5° | 120.0° |
| C14 | C13 | H23 | 109.4° | 109.4° |
| C14 | C13 | H24 | 109.4° | 109.5° |
| C19 | C14 | C15 | 119.0° | 119.9° |
| C14 | C19 | C18 | 118.9° | 120.0° |
| C14 | C19 | O7 | 120.5° | 120.0° |
| C14 | C15 | C16 | 120.0° | 120.1° |
| C14 | C15 | H25 | 120.0° | 119.9° |
| C18 | C19 | O7 | 120.5° | 120.0° |
| C19 | C18 | C17 | 120.0° | 119.9° |
| C19 | C18 | H28 | 120.0° | 120.1° |
| C19 | O7 | C20 | 120.0° | 117.0° |
| C18 | C17 | C16 | 121.0° | 120.1° |
| C17 | C18 | H28 | 120.0° | 120.0° |
| C18 | C17 | H27 | 119.5° | 119.9° |
| C17 | C16 | C15 | 121.1° | 120.1° |
| C16 | C17 | H27 | 119.5° | 120.0° |
| C17 | C16 | H26 | 119.5° | 120.0° |
| C15 | C16 | H26 | 119.5° | 119.9° |
| C16 | C15 | H25 | 120.0° | 119.9° |
| O7 | C20 | C21 | 109.8° | 109.5° |
| O7 | C20 | H29 | 109.4° | 109.4° |
| O7 | C20 | H30 | 109.4° | 109.5° |
| C20 | C21 | N3 | 111.9° | 109.5° |
| C21 | C20 | H29 | 109.4° | 109.4° |
| C21 | C20 | H30 | 109.4° | 109.5° |
| C20 | C21 | H31 | 108.9° | 109.5° |
| C20 | C21 | H32 | 108.9° | 109.4° |
| C21 | N3 | C22 | 121.5° | 120.0° |
| N3 | C21 | H31 | 108.9° | 109.5° |
| N3 | C21 | H32 | 108.9° | 109.5° |
| C21 | N3 | H33 | 119.2° | 120.0° |
| N3 | C22 | O22 | 123.0° | 120.0° |
| N3 | C22 | C23 | 116.5° | 120.0° |
| C22 | N3 | H33 | 119.3° | 120.0° |
| O22 | C22 | C23 | 120.5° | 120.0° |
| C22 | C23 | C24 | 109.8° | 109.5° |
| C22 | C23 | H34 | 109.4° | 109.5° |
| C22 | C23 | H35 | 109.4° | 109.5° |
| C23 | C24 | O8 | 109.8° | 109.5° |
| C24 | C23 | H34 | 109.4° | 109.5° |
| C24 | C23 | H35 | 109.4° | 109.4° |
| C23 | C24 | H36 | 109.4° | 109.5° |
| C23 | C24 | H37 | 109.4° | 109.5° |
| C24 | O8 | C25 | 111.8° | 114.0° |
| O8 | C24 | H36 | 109.4° | 109.5° |
| O8 | C24 | H37 | 109.4° | 109.4° |
| O8 | C25 | C26 | 109.7° | 109.5° |
| O8 | C25 | H38 | 109.4° | 109.4° |
| O8 | C25 | H39 | 109.4° | 109.5° |
| C25 | C26 | O9 | 109.8° | 109.5° |
| C26 | C25 | H38 | 109.4° | 109.5° |
| C26 | C25 | H39 | 109.4° | 109.5° |
| C25 | C26 | H40 | 109.4° | 109.4° |
| C25 | C26 | H41 | 109.4° | 109.5° |
| C26 | O9 | C27 | 111.8° | 114.0° |
| O9 | C26 | H40 | 109.4° | 109.4° |
| O9 | C26 | H41 | 109.4° | 109.5° |
| O9 | C27 | C28 | 109.8° | 109.5° |
| O9 | C27 | H42 | 109.4° | 109.5° |
| O9 | C27 | H43 | 109.4° | 109.4° |
| C27 | C28 | O10 | 109.7° | 109.4° |
| C28 | C27 | H42 | 109.4° | 109.5° |
| C28 | C27 | H43 | 109.4° | 109.5° |
| C27 | C28 | H44 | 109.4° | 109.5° |
| C27 | C28 | H45 | 109.4° | 109.5° |
| C28 | O10 | C29 | 111.8° | 114.0° |
| O10 | C28 | H44 | 109.4° | 109.5° |
| O10 | C28 | H45 | 109.4° | 109.5° |
| O10 | C29 | C30 | 109.7° | 109.5° |
| O10 | C29 | H46 | 109.4° | 109.5° |
| O10 | C29 | H47 | 109.4° | 109.5° |
| C29 | C30 | O11 | 109.8° | 109.5° |
| C30 | C29 | H46 | 109.4° | 109.4° |
| C30 | C29 | H47 | 109.4° | 109.5° |
| C29 | C30 | H48 | 109.4° | 109.5° |
| C29 | C30 | H49 | 109.4° | 109.4° |
| C30 | O11 | C31 | 111.8° | 114.0° |
| O11 | C30 | H48 | 109.4° | 109.5° |
| O11 | C30 | H49 | 109.4° | 109.4° |
| O11 | C31 | C32 | 109.8° | 109.5° |
| O11 | C31 | H50 | 109.4° | 109.5° |
| O11 | C31 | H51 | 109.4° | 109.5° |
| C31 | C32 | O12 | 109.7° | 109.5° |
| C32 | C31 | H50 | 109.4° | 109.4° |
| C32 | C31 | H51 | 109.4° | 109.4° |
| C31 | C32 | H52 | 109.4° | 109.5° |
| C31 | C32 | H53 | 109.4° | 109.5° |
| C32 | O12 | C33 | 111.8° | 114.0° |
| O12 | C32 | H52 | 109.4° | 109.5° |
| O12 | C32 | H53 | 109.4° | 109.5° |
| O12 | C33 | C34 | 109.7° | 109.5° |
| O12 | C33 | H54 | 109.4° | 109.4° |
| O12 | C33 | H55 | 109.4° | 109.4° |
| C33 | C34 | O13 | 109.8° | 109.5° |
| C34 | C33 | H54 | 109.4° | 109.5° |
| C34 | C33 | H55 | 109.4° | 109.5° |
| C33 | C34 | H56 | 109.4° | 109.4° |
| C33 | C34 | H57 | 109.4° | 109.5° |
| C34 | O13 | C35 | 111.7° | 114.0° |
| O13 | C34 | H56 | 109.4° | 109.5° |
| O13 | C34 | H57 | 109.4° | 109.5° |
| O13 | C35 | C36 | 109.8° | 109.5° |
| O13 | C35 | H58 | 109.4° | 109.5° |
| O13 | C35 | H59 | 109.4° | 109.5° |
| C35 | C36 | O14 | 109.7° | 109.5° |
| C36 | C35 | H58 | 109.4° | 109.4° |
| C36 | C35 | H59 | 109.4° | 109.5° |
| C35 | C36 | H60 | 109.4° | 109.5° |
| C35 | C36 | H61 | 109.4° | 109.5° |
| C36 | O14 | C37 | 111.9° | 114.0° |
| O14 | C36 | H60 | 109.4° | 109.4° |
| O14 | C36 | H61 | 109.4° | 109.5° |
| O14 | C37 | C38 | 109.7° | 109.5° |
| O14 | C37 | H62 | 109.4° | 109.5° |
| O14 | C37 | H63 | 109.4° | 109.5° |
| C37 | C38 | O15 | 109.8° | 109.5° |
| C38 | C37 | H62 | 109.4° | 109.4° |
| C38 | C37 | H63 | 109.4° | 109.4° |
| C37 | C38 | H64 | 109.4° | 109.5° |
| C37 | C38 | H65 | 109.4° | 109.5° |
| C38 | O15 | C39 | 111.7° | 114.0° |
| O15 | C38 | H64 | 109.4° | 109.5° |
| O15 | C38 | H65 | 109.4° | 109.5° |
| O15 | C39 | C40 | 109.8° | 109.5° |
| O15 | C39 | H66 | 109.4° | 109.4° |
| O15 | C39 | H67 | 109.4° | 109.5° |
| C39 | C40 | O16 | 109.7° | 109.5° |
| C40 | C39 | H66 | 109.4° | 109.4° |
| C40 | C39 | H67 | 109.4° | 109.5° |
| C39 | C40 | H68 | 109.4° | 109.5° |
| C39 | C40 | H69 | 109.4° | 109.4° |
| C40 | O16 | C41 | 111.9° | 114.0° |
| O16 | C40 | H68 | 109.4° | 109.5° |
| O16 | C40 | H69 | 109.4° | 109.5° |
| O16 | C41 | C42 | 109.7° | 109.4° |
| O16 | C41 | H70 | 109.4° | 109.5° |
| O16 | C41 | H71 | 109.4° | 109.4° |
| C41 | C42 | O17 | 109.8° | 109.5° |
| C42 | C41 | H70 | 109.4° | 109.5° |
| C42 | C41 | H71 | 109.4° | 109.5° |
| C41 | C42 | H72 | 109.4° | 109.4° |
| C41 | C42 | H73 | 109.4° | 109.5° |
| C42 | O17 | C43 | 111.7° | 114.0° |
| O17 | C42 | H72 | 109.4° | 109.5° |
| O17 | C42 | H73 | 109.4° | 109.5° |
| O17 | C43 | C44 | 109.7° | 109.5° |
| O17 | C43 | H74 | 109.4° | 109.5° |
| O17 | C43 | H75 | 109.4° | 109.5° |
| C43 | C44 | O18 | 109.7° | 109.5° |
| C44 | C43 | H74 | 109.4° | 109.4° |
| C44 | C43 | H75 | 109.4° | 109.5° |
| C43 | C44 | H76 | 109.4° | 109.5° |
| C43 | C44 | H77 | 109.4° | 109.5° |
| C44 | O18 | C45 | 111.8° | 114.0° |
| O18 | C44 | H76 | 109.4° | 109.4° |
| O18 | C44 | H77 | 109.4° | 109.5° |
| O18 | C45 | C46 | 109.8° | 109.5° |
| O18 | C45 | H78 | 109.4° | 109.5° |
| O18 | C45 | H79 | 109.4° | 109.4° |
| C45 | C46 | O19 | 109.8° | 109.5° |
| C46 | C45 | H78 | 109.4° | 109.5° |
| C46 | C45 | H79 | 109.4° | 109.5° |
| C45 | C46 | H80 | 109.4° | 109.5° |
| C45 | C46 | H81 | 109.4° | 109.5° |
| C46 | O19 | C47 | 111.8° | 114.0° |
| O19 | C46 | H80 | 109.4° | 109.5° |
| O19 | C46 | H81 | 109.4° | 109.5° |
| O19 | C47 | C48 | 109.7° | 109.4° |
| O19 | C47 | H82 | 109.4° | 109.4° |
| O19 | C47 | H83 | 109.4° | 109.4° |
| C47 | C48 | N4 | 111.8° | 109.5° |
| C48 | C47 | H82 | 109.4° | 109.5° |
| C48 | C47 | H83 | 109.4° | 109.5° |
| C47 | C48 | H84 | 108.9° | 109.4° |
| C47 | C48 | H85 | 108.9° | 109.5° |
| C48 | N4 | C49 | 121.5° | 120.0° |
| N4 | C48 | H84 | 108.9° | 109.5° |
| N4 | C48 | H85 | 108.9° | 109.5° |
| C48 | N4 | H86 | 119.2° | 120.0° |
| N4 | C49 | O21 | 123.0° | 120.0° |
| N4 | C49 | C50 | 116.5° | 119.9° |
| C49 | N4 | H86 | 119.3° | 120.0° |
| O21 | C49 | C50 | 120.5° | 120.0° |
| C49 | C50 | C51 | 109.7° | 109.4° |
| C49 | C50 | H87 | 109.4° | 109.5° |
| C49 | C50 | H88 | 109.4° | 109.5° |
| C50 | C51 | C52 | 111.0° | 109.5° |
| C51 | C50 | H87 | 109.4° | 109.4° |
| C51 | C50 | H88 | 109.4° | 109.4° |
| C50 | C51 | H89 | 109.1° | 109.4° |
| C50 | C51 | H90 | 109.1° | 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 | C54 | 111.0° | 109.5° |
| C53 | C52 | H91 | 109.1° | 109.4° |
| C53 | C52 | H92 | 109.1° | 109.5° |
| C52 | C53 | H93 | 109.1° | 109.4° |
| C52 | C53 | H94 | 109.1° | 109.5° |
| C53 | C54 | C57 | 113.5° | 110.8° |
| C53 | C54 | S | 110.1° | 110.7° |
| C54 | C53 | H93 | 109.1° | 109.4° |
| C54 | C53 | H94 | 109.1° | 109.5° |
| C53 | C54 | H2 | 109.9° | 110.7° |
| C57 | C54 | S | 106.2° | 102.7° |
| C54 | C57 | C56 | 112.6° | 112.4° |
| C54 | C57 | N6 | 113.5° | 109.2° |
| C57 | C54 | H2 | 109.8° | 110.8° |
| C54 | C57 | H4 | 109.2° | 110.2° |
| C54 | S | C55 | 101.9° | 94.8° |
| S | C54 | H2 | 107.2° | 110.9° |
| C56 | C57 | N6 | 102.1° | 104.0° |
| C57 | C56 | C55 | 113.1° | 112.4° |
| C57 | C56 | N5 | 102.4° | 104.0° |
| C56 | C57 | H4 | 109.1° | 110.3° |
| C57 | C56 | H3 | 109.5° | 110.3° |
| C57 | N6 | C58 | 113.5° | 109.0° |
| N6 | C57 | H4 | 110.3° | 110.6° |
| C57 | N6 | H98 | 123.2° | 125.5° |
| C55 | C56 | N5 | 111.3° | 109.2° |
| C56 | C55 | S | 106.1° | 102.7° |
| C55 | C56 | H3 | 109.6° | 110.3° |
| C56 | C55 | H96 | 110.3° | 110.8° |
| C56 | C55 | H95 | 110.3° | 110.8° |
| C56 | N5 | C58 | 113.2° | 109.1° |
| N5 | C56 | H3 | 110.7° | 110.5° |
| C56 | N5 | H97 | 123.4° | 125.6° |
| S | C55 | H96 | 110.3° | 110.8° |
| S | C55 | H95 | 110.3° | 110.8° |
| N6 | C58 | O20 | 125.7° | 123.0° |
| N6 | C58 | N5 | 108.8° | 113.9° |
| C58 | N6 | H98 | 123.3° | 125.5° |
| O20 | C58 | N5 | 125.6° | 123.1° |
| C58 | N5 | H97 | 123.4° | 125.4° |
| H20 | C11 | H21 | 109.5° | 109.5° |
| H18 | C10 | H19 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.4° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.4° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.4° |
| H23 | C13 | H24 | 109.5° | 109.4° |
| H29 | C20 | H30 | 109.5° | 109.4° |
| H31 | C21 | H32 | 109.5° | 109.5° |
| H34 | C23 | H35 | 109.5° | 109.5° |
| H36 | C24 | H37 | 109.5° | 109.5° |
| H38 | C25 | H39 | 109.5° | 109.5° |
| H40 | C26 | H41 | 109.5° | 109.5° |
| H42 | C27 | H43 | 109.5° | 109.5° |
| H44 | C28 | H45 | 109.5° | 109.5° |
| H46 | C29 | H47 | 109.5° | 109.4° |
| H48 | C30 | H49 | 109.5° | 109.5° |
| H50 | C31 | H51 | 109.5° | 109.5° |
| H52 | C32 | H53 | 109.5° | 109.4° |
| H54 | C33 | H55 | 109.4° | 109.5° |
| H56 | C34 | H57 | 109.4° | 109.5° |
| H58 | C35 | H59 | 109.4° | 109.4° |
| H60 | C36 | H61 | 109.5° | 109.5° |
| H62 | C37 | H63 | 109.5° | 109.4° |
| H64 | C38 | H65 | 109.4° | 109.4° |
| H66 | C39 | H67 | 109.5° | 109.5° |
| H68 | C40 | H69 | 109.5° | 109.4° |
| H70 | C41 | H71 | 109.5° | 109.4° |
| H72 | C42 | H73 | 109.5° | 109.5° |
| H74 | C43 | H75 | 109.5° | 109.4° |
| H76 | C44 | H77 | 109.5° | 109.5° |
| H78 | C45 | H79 | 109.5° | 109.4° |
| H80 | C46 | H81 | 109.5° | 109.4° |
| H82 | C47 | H83 | 109.5° | 109.5° |
| H84 | C48 | H85 | 109.5° | 109.5° |
| H87 | C50 | H88 | 109.5° | 109.5° |
| H89 | C51 | H90 | 109.5° | 109.5° |
| H91 | C52 | H92 | 109.5° | 109.4° |
| H93 | C53 | H94 | 109.5° | 109.5° |
| H96 | C55 | H95 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C12 | N2 | C13 | 180.0° | 179.7° |
| O23 | C12 | N2 | C11 | 180.0° | 0.0° |
| O23 | C12 | C13 | C14 | 106.9° | 0.0° |
| O23 | C12 | N2 | H22 | 0.0° | 180.0° |
| O23 | C12 | C13 | H23 | 13.2° | 120.0° |
| O23 | C12 | C13 | H24 | 133.1° | 120.0° |
| C12 | N2 | C11 | H22 | 180.0° | 180.0° |
| C12 | N2 | C11 | C10 | 72.2° | 180.0° |
| N2 | C12 | C13 | C14 | 73.2° | 179.7° |
| C12 | N2 | C11 | H20 | 167.5° | 60.0° |
| C12 | N2 | C11 | H21 | 48.2° | 60.0° |
| N2 | C12 | C13 | H23 | 166.8° | 60.3° |
| N2 | C12 | C13 | H24 | 46.9° | 59.7° |
| C13 | C12 | N2 | C11 | 0.0° | 179.7° |
| C12 | C13 | C14 | H23 | 120.1° | 120.0° |
| C12 | C13 | C14 | H24 | 120.0° | 120.1° |
| C12 | C13 | C14 | C19 | 41.1° | 85.0° |
| C12 | C13 | C14 | C15 | 138.9° | 95.2° |
| C13 | C12 | N2 | H22 | 180.0° | 0.2° |
| C12 | C13 | H23 | H24 | 119.9° | 120.1° |
| N2 | C11 | C10 | H20 | 120.3° | 120.0° |
| N2 | C11 | C10 | H21 | 120.4° | 120.0° |
| N2 | C11 | C10 | C9 | 149.0° | 180.0° |
| N2 | C11 | H20 | H21 | 118.9° | 119.9° |
| N2 | C11 | C10 | H18 | 28.8° | 60.0° |
| N2 | C11 | C10 | H19 | 90.8° | 60.0° |
| C11 | C10 | C9 | H18 | 120.2° | 120.0° |
| C11 | C10 | C9 | H19 | 120.2° | 120.0° |
| C11 | C10 | C9 | C8 | 121.4° | 180.0° |
| C10 | C11 | N2 | H22 | 107.9° | 0.0° |
| C10 | C11 | H20 | H21 | 118.9° | 120.1° |
| C11 | C10 | H18 | H19 | 119.3° | 120.0° |
| C11 | C10 | C9 | H16 | 1.2° | 60.0° |
| C11 | C10 | C9 | H17 | 118.4° | 60.0° |
| C10 | C9 | C8 | H16 | 120.2° | 120.0° |
| C10 | C9 | C8 | H17 | 120.2° | 120.0° |
| C10 | C9 | C8 | C1 | 109.4° | 180.0° |
| C9 | C10 | C11 | H20 | 90.7° | 60.0° |
| C9 | C10 | C11 | H21 | 28.6° | 60.0° |
| C9 | C10 | H18 | H19 | 119.3° | 120.0° |
| C10 | C9 | H16 | H17 | 119.3° | 120.0° |
| C10 | C9 | C8 | H14 | 130.4° | 60.0° |
| C10 | C9 | C8 | H15 | 10.9° | 60.0° |
| C9 | C8 | C1 | H14 | 120.2° | 120.0° |
| C9 | C8 | C1 | H15 | 120.3° | 120.0° |
| C9 | C8 | C1 | N | 61.7° | 65.0° |
| C9 | C8 | C1 | C | 175.3° | 175.0° |
| C8 | C9 | C10 | H18 | 118.4° | 60.0° |
| C8 | C9 | C10 | H19 | 1.2° | 60.0° |
| C8 | C9 | H16 | H17 | 119.3° | 119.9° |
| C9 | C8 | H14 | H15 | 119.3° | 119.9° |
| C9 | C8 | C1 | H | 57.3° | 55.0° |
| C8 | C1 | N | C | 121.7° | 120.0° |
| C8 | C1 | N | H | 118.4° | 120.0° |
| C8 | C1 | C | H | 117.8° | 120.0° |
| C8 | C1 | N | C2 | 64.3° | 155.0° |
| C8 | C1 | C | O1 | 40.3° | 60.0° |
| C8 | C1 | C | O | 139.7° | 120.0° |
| C1 | C8 | C9 | H16 | 10.9° | 60.0° |
| C1 | C8 | C9 | H17 | 130.4° | 60.0° |
| C1 | C8 | H14 | H15 | 119.3° | 120.0° |
| C8 | C1 | N | H6 | 115.7° | 25.0° |
| N | C1 | C | H | 120.3° | 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 | 162.2° | 180.0° |
| N | C1 | C | O | 17.7° | 0.0° |
| N | C1 | C8 | H14 | 178.1° | 175.0° |
| N | C1 | C8 | H15 | 58.5° | 55.0° |
| C | C1 | N | C2 | 57.4° | 85.0° |
| C1 | C | O1 | O | 180.0° | 180.0° |
| C | C1 | C8 | H14 | 55.1° | 55.0° |
| C | C1 | C8 | H15 | 64.4° | 65.0° |
| C | C1 | N | H6 | 122.6° | 95.0° |
| C1 | C | O1 | H5 | 180.0° | 180.0° |
| N | C2 | O6 | N1 | 179.9° | 179.9° |
| N | C2 | N1 | C3 | 180.0° | 180.0° |
| C2 | N | C1 | H | 177.3° | 35.0° |
| N | C2 | N1 | H7 | 0.0° | 0.0° |
| O6 | C2 | N1 | C3 | 0.0° | 0.1° |
| O6 | C2 | N | H6 | 179.9° | 180.0° |
| O6 | C2 | N1 | H7 | 180.0° | 180.0° |
| C2 | N1 | C3 | H7 | 180.0° | 180.0° |
| C2 | N1 | C3 | C7 | 154.7° | 85.0° |
| C2 | N1 | C3 | C4 | 83.6° | 155.1° |
| N1 | C2 | N | H6 | 0.1° | 0.0° |
| C2 | N1 | C3 | H1 | 34.9° | 35.1° |
| N1 | C3 | C7 | C4 | 122.0° | 119.9° |
| N1 | C3 | C7 | H1 | 120.2° | 120.1° |
| N1 | C3 | C4 | H1 | 119.1° | 120.0° |
| N1 | C3 | C7 | O5 | 15.2° | 0.1° |
| N1 | C3 | C7 | O4 | 164.9° | 180.0° |
| N1 | C3 | C4 | C5 | 179.7° | 65.0° |
| N1 | C3 | C4 | H8 | 60.1° | 55.0° |
| N1 | C3 | C4 | H9 | 59.4° | 175.0° |
| C7 | C3 | C4 | H1 | 118.0° | 120.0° |
| C3 | C7 | O5 | O4 | 179.9° | 179.9° |
| C7 | C3 | C4 | C5 | 56.7° | 175.0° |
| C7 | C3 | N1 | H7 | 25.3° | 94.9° |
| C3 | C7 | O4 | H13 | 179.9° | 180.0° |
| C7 | C3 | C4 | H8 | 176.9° | 65.0° |
| C7 | C3 | C4 | H9 | 63.6° | 55.1° |
| C4 | C3 | C7 | O5 | 106.8° | 120.0° |
| C4 | C3 | C7 | O4 | 73.1° | 60.0° |
| C3 | C4 | C5 | H8 | 120.2° | 120.0° |
| C3 | C4 | C5 | H9 | 120.3° | 120.0° |
| C3 | C4 | C5 | C6 | 160.8° | 180.0° |
| C4 | C3 | N1 | H7 | 96.4° | 25.0° |
| C3 | C4 | H8 | H9 | 119.3° | 120.1° |
| C3 | C4 | C5 | H10 | 79.1° | 60.0° |
| C3 | C4 | C5 | H11 | 40.8° | 60.0° |
| O5 | C7 | C3 | H1 | 135.4° | 120.0° |
| O5 | C7 | O4 | H13 | 0.0° | 0.0° |
| O4 | C7 | C3 | H1 | 44.7° | 59.9° |
| C4 | C5 | C6 | H10 | 120.1° | 120.0° |
| C4 | C5 | C6 | H11 | 120.0° | 120.0° |
| C4 | C5 | C6 | O3 | 76.5° | 0.0° |
| C4 | C5 | C6 | O2 | 103.5° | 180.0° |
| C5 | C4 | C3 | H1 | 61.3° | 55.0° |
| C5 | C4 | H8 | H9 | 119.3° | 120.0° |
| C4 | C5 | H10 | H11 | 119.9° | 120.0° |
| C5 | C6 | O3 | O2 | 180.0° | 180.0° |
| C6 | C5 | C4 | H8 | 40.6° | 60.0° |
| C6 | C5 | C4 | H9 | 78.9° | 60.0° |
| C6 | C5 | H10 | H11 | 119.8° | 120.0° |
| C5 | C6 | O2 | H12 | 180.0° | 180.0° |
| O3 | C6 | C5 | H10 | 163.5° | 120.0° |
| O3 | C6 | C5 | H11 | 43.6° | 120.0° |
| O3 | C6 | O2 | H12 | 0.0° | 0.0° |
| O2 | C6 | C5 | H10 | 16.5° | 60.0° |
| O2 | C6 | C5 | H11 | 136.4° | 60.0° |
| O1 | C | C1 | H | 77.5° | 60.0° |
| O | C | C1 | H | 102.5° | 120.0° |
| O | C | O1 | H5 | 0.0° | 0.0° |
| C13 | C14 | C19 | C15 | 180.0° | 179.8° |
| C13 | C14 | C19 | C18 | 179.9° | 179.9° |
| C13 | C14 | C19 | O7 | 0.0° | 0.0° |
| C13 | C14 | C15 | C16 | 180.0° | 179.7° |
| C14 | C13 | H23 | H24 | 119.9° | 119.9° |
| C13 | C14 | C15 | H25 | 0.0° | 0.1° |
| C14 | C19 | C18 | O7 | 179.9° | 180.0° |
| C14 | C19 | C18 | C17 | 0.1° | 0.0° |
| C19 | C14 | C15 | C16 | 0.0° | 0.5° |
| C14 | C19 | O7 | C20 | 106.0° | 180.0° |
| C19 | C14 | C13 | H23 | 79.0° | 35.1° |
| C19 | C14 | C13 | H24 | 161.1° | 155.0° |
| C14 | C19 | C18 | H28 | 180.0° | 179.9° |
| C19 | C14 | C15 | H25 | 180.0° | 179.8° |
| C15 | C14 | C19 | C18 | 0.0° | 0.2° |
| C15 | C14 | C19 | O7 | 179.9° | 179.8° |
| C14 | C15 | C16 | C17 | 0.0° | 0.5° |
| C14 | C15 | C16 | H25 | 180.0° | 179.8° |
| C15 | C14 | C13 | H23 | 101.1° | 144.7° |
| C15 | C14 | C13 | H24 | 18.8° | 24.8° |
| C14 | C15 | C16 | H26 | 179.9° | 179.7° |
| C19 | C18 | C17 | H28 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.0° | 0.1° |
| C18 | C19 | O7 | C20 | 73.9° | 0.0° |
| C19 | C18 | C17 | H27 | 180.0° | 179.9° |
| O7 | C19 | C18 | C17 | 180.0° | 180.0° |
| C19 | O7 | C20 | C21 | 168.9° | 180.0° |
| O7 | C19 | C18 | H28 | 0.0° | 0.1° |
| C19 | O7 | C20 | H29 | 48.9° | 60.1° |
| C19 | O7 | C20 | H30 | 71.0° | 59.9° |
| C18 | C17 | C16 | H27 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.0° | 0.3° |
| C18 | C17 | C16 | H26 | 180.0° | 179.9° |
| C17 | C16 | C15 | H26 | 180.0° | 179.8° |
| C16 | C17 | C18 | H28 | 180.0° | 180.0° |
| C17 | C16 | C15 | H25 | 180.0° | 179.7° |
| C15 | C16 | C17 | H27 | 180.0° | 179.7° |
| O7 | C20 | C21 | H29 | 120.0° | 120.0° |
| O7 | C20 | C21 | H30 | 120.0° | 120.1° |
| O7 | C20 | C21 | N3 | 135.9° | 65.0° |
| O7 | C20 | H29 | H30 | 119.8° | 120.0° |
| O7 | C20 | C21 | H31 | 103.8° | 175.0° |
| O7 | C20 | C21 | H32 | 15.5° | 55.0° |
| C20 | C21 | N3 | H31 | 120.3° | 120.0° |
| C20 | C21 | N3 | H32 | 120.4° | 119.9° |
| C20 | C21 | N3 | C22 | 45.1° | 179.9° |
| C21 | C20 | H29 | H30 | 119.9° | 120.0° |
| C20 | C21 | H31 | H32 | 118.9° | 120.0° |
| C20 | C21 | N3 | H33 | 134.9° | 0.0° |
| C21 | N3 | C22 | H33 | 180.0° | 179.9° |
| C21 | N3 | C22 | O22 | 0.1° | 0.1° |
| C21 | N3 | C22 | C23 | 180.0° | 180.0° |
| N3 | C21 | C20 | H29 | 15.9° | 55.0° |
| N3 | C21 | C20 | H30 | 104.1° | 175.0° |
| N3 | C21 | H31 | H32 | 118.9° | 120.0° |
| N3 | C22 | O22 | C23 | 180.0° | 179.9° |
| N3 | C22 | C23 | C24 | 139.4° | 179.9° |
| C22 | N3 | C21 | H31 | 75.2° | 60.1° |
| C22 | N3 | C21 | H32 | 165.5° | 60.0° |
| N3 | C22 | C23 | H34 | 100.6° | 60.0° |
| N3 | C22 | C23 | H35 | 19.3° | 60.0° |
| O22 | C22 | C23 | C24 | 40.7° | 0.0° |
| O22 | C22 | N3 | H33 | 180.0° | 180.0° |
| O22 | C22 | C23 | H34 | 79.4° | 120.0° |
| O22 | C22 | C23 | H35 | 160.7° | 119.9° |
| C22 | C23 | C24 | H34 | 120.0° | 120.0° |
| C22 | C23 | C24 | H35 | 120.0° | 120.0° |
| C22 | C23 | C24 | O8 | 166.4° | 180.0° |
| C23 | C22 | N3 | H33 | 0.0° | 0.1° |
| C22 | C23 | H34 | H35 | 119.8° | 120.0° |
| C22 | C23 | C24 | H36 | 46.3° | 60.0° |
| C22 | C23 | C24 | H37 | 73.6° | 60.0° |
| C23 | C24 | O8 | H36 | 120.0° | 120.1° |
| C23 | C24 | O8 | H37 | 120.1° | 120.0° |
| C23 | C24 | O8 | C25 | 164.8° | 180.0° |
| C24 | C23 | H34 | H35 | 119.9° | 120.0° |
| C23 | C24 | H36 | H37 | 119.9° | 120.0° |
| C24 | O8 | C25 | C26 | 161.9° | 180.0° |
| O8 | C24 | C23 | H34 | 73.6° | 60.0° |
| O8 | C24 | C23 | H35 | 46.3° | 60.1° |
| O8 | C24 | H36 | H37 | 119.8° | 119.9° |
| C24 | O8 | C25 | H38 | 78.0° | 60.0° |
| C24 | O8 | C25 | H39 | 41.9° | 60.0° |
| O8 | C25 | C26 | H38 | 120.0° | 119.9° |
| O8 | C25 | C26 | H39 | 120.0° | 120.0° |
| O8 | C25 | C26 | O9 | 167.0° | 65.0° |
| C25 | O8 | C24 | H36 | 75.2° | 59.9° |
| C25 | O8 | C24 | H37 | 44.7° | 60.0° |
| O8 | C25 | H38 | H39 | 119.9° | 120.0° |
| O8 | C25 | C26 | H40 | 73.0° | 175.1° |
| O8 | C25 | C26 | H41 | 47.0° | 55.0° |
| C25 | C26 | O9 | H40 | 120.1° | 119.9° |
| C25 | C26 | O9 | H41 | 120.0° | 120.0° |
| C25 | C26 | O9 | C27 | 175.4° | 180.0° |
| C26 | C25 | H38 | H39 | 119.9° | 120.1° |
| C25 | C26 | H40 | H41 | 119.9° | 120.0° |
| C26 | O9 | C27 | C28 | 179.3° | 180.0° |
| O9 | C26 | C25 | H38 | 47.0° | 54.9° |
| O9 | C26 | C25 | H39 | 73.0° | 175.0° |
| O9 | C26 | H40 | H41 | 119.8° | 120.0° |
| C26 | O9 | C27 | H42 | 59.3° | 60.0° |
| C26 | O9 | C27 | H43 | 60.6° | 60.0° |
| O9 | C27 | C28 | H42 | 120.1° | 120.0° |
| O9 | C27 | C28 | H43 | 120.0° | 119.9° |
| O9 | C27 | C28 | O10 | 175.5° | 65.0° |
| C27 | O9 | C26 | H40 | 64.5° | 60.0° |
| C27 | O9 | C26 | H41 | 55.4° | 60.0° |
| O9 | C27 | H42 | H43 | 119.9° | 120.0° |
| O9 | C27 | C28 | H44 | 55.4° | 175.0° |
| O9 | C27 | C28 | H45 | 64.5° | 55.0° |
| C27 | C28 | O10 | H44 | 120.0° | 120.0° |
| C27 | C28 | O10 | H45 | 120.1° | 120.0° |
| C27 | C28 | O10 | C29 | 174.3° | 180.0° |
| C28 | C27 | H42 | H43 | 119.9° | 120.0° |
| C27 | C28 | H44 | H45 | 119.9° | 120.0° |
| C28 | O10 | C29 | C30 | 173.8° | 180.0° |
| O10 | C28 | C27 | H42 | 64.5° | 55.0° |
| O10 | C28 | C27 | H43 | 55.4° | 175.0° |
| O10 | C28 | H44 | H45 | 119.9° | 120.0° |
| C28 | O10 | C29 | H46 | 66.1° | 60.0° |
| C28 | O10 | C29 | H47 | 53.8° | 60.0° |
| O10 | C29 | C30 | H46 | 120.0° | 120.1° |
| O10 | C29 | C30 | H47 | 120.0° | 120.0° |
| O10 | C29 | C30 | O11 | 175.1° | 65.0° |
| C29 | O10 | C28 | H44 | 65.7° | 60.0° |
| C29 | O10 | C28 | H45 | 54.2° | 60.0° |
| O10 | C29 | H46 | H47 | 119.9° | 120.0° |
| O10 | C29 | C30 | H48 | 64.8° | 175.0° |
| O10 | C29 | C30 | H49 | 55.1° | 55.0° |
| C29 | C30 | O11 | H48 | 120.1° | 120.0° |
| C29 | C30 | O11 | H49 | 120.0° | 119.9° |
| C29 | C30 | O11 | C31 | 178.4° | 180.0° |
| C30 | C29 | H46 | H47 | 119.9° | 120.0° |
| C29 | C30 | H48 | H49 | 119.9° | 120.0° |
| C30 | O11 | C31 | C32 | 179.7° | 180.0° |
| O11 | C30 | C29 | H46 | 55.1° | 55.1° |
| O11 | C30 | C29 | H47 | 64.9° | 175.0° |
| O11 | C30 | H48 | H49 | 119.9° | 120.0° |
| C30 | O11 | C31 | H50 | 59.6° | 60.0° |
| C30 | O11 | C31 | H51 | 60.3° | 60.1° |
| O11 | C31 | C32 | H50 | 120.0° | 120.0° |
| O11 | C31 | C32 | H51 | 120.0° | 120.0° |
| O11 | C31 | C32 | O12 | 179.7° | 65.1° |
| C31 | O11 | C30 | H48 | 61.5° | 60.0° |
| C31 | O11 | C30 | H49 | 58.4° | 60.1° |
| O11 | C31 | H50 | H51 | 119.9° | 120.0° |
| O11 | C31 | C32 | H52 | 59.7° | 174.9° |
| O11 | C31 | C32 | H53 | 60.3° | 55.0° |
| C31 | C32 | O12 | H52 | 120.0° | 120.0° |
| C31 | C32 | O12 | H53 | 120.0° | 120.0° |
| C31 | C32 | O12 | C33 | 179.4° | 180.0° |
| C32 | C31 | H50 | H51 | 119.9° | 119.9° |
| C31 | C32 | H52 | H53 | 119.9° | 120.0° |
| C32 | O12 | C33 | C34 | 179.4° | 180.0° |
| O12 | C32 | C31 | H50 | 60.3° | 55.0° |
| O12 | C32 | C31 | H51 | 59.6° | 175.0° |
| O12 | C32 | H52 | H53 | 119.9° | 120.0° |
| C32 | O12 | C33 | H54 | 60.6° | 60.0° |
| C32 | O12 | C33 | H55 | 59.3° | 60.0° |
| O12 | C33 | C34 | H54 | 120.0° | 119.9° |
| O12 | C33 | C34 | H55 | 120.1° | 120.0° |
| O12 | C33 | C34 | O13 | 179.5° | 65.0° |
| C33 | O12 | C32 | H52 | 60.6° | 60.0° |
| C33 | O12 | C32 | H53 | 59.3° | 60.0° |
| O12 | C33 | H54 | H55 | 119.9° | 119.9° |
| O12 | C33 | C34 | H56 | 60.5° | 175.0° |
| O12 | C33 | C34 | H57 | 59.4° | 55.0° |
| C33 | C34 | O13 | H56 | 120.1° | 120.0° |
| C33 | C34 | O13 | H57 | 120.1° | 120.0° |
| C33 | C34 | O13 | C35 | 179.8° | 180.0° |
| C34 | C33 | H54 | H55 | 119.9° | 120.1° |
| C33 | C34 | H56 | H57 | 119.8° | 120.0° |
| C34 | O13 | C35 | C36 | 180.0° | 180.0° |
| O13 | C34 | C33 | H54 | 59.4° | 55.0° |
| O13 | C34 | C33 | H55 | 60.5° | 175.1° |
| O13 | C34 | H56 | H57 | 119.8° | 120.0° |
| C34 | O13 | C35 | H58 | 59.9° | 60.0° |
| C34 | O13 | C35 | H59 | 60.0° | 60.0° |
| O13 | C35 | C36 | H58 | 120.1° | 120.1° |
| O13 | C35 | C36 | H59 | 120.0° | 120.0° |
| O13 | C35 | C36 | O14 | 180.0° | 65.0° |
| C35 | O13 | C34 | H56 | 60.1° | 60.0° |
| C35 | O13 | C34 | H57 | 59.7° | 60.0° |
| O13 | C35 | H58 | H59 | 119.8° | 120.0° |
| O13 | C35 | C36 | H60 | 59.9° | 175.0° |
| O13 | C35 | C36 | H61 | 60.0° | 55.0° |
| C35 | C36 | O14 | H60 | 120.0° | 120.0° |
| C35 | C36 | O14 | H61 | 120.0° | 120.0° |
| C35 | C36 | O14 | C37 | 179.9° | 180.0° |
| C36 | C35 | H58 | H59 | 119.9° | 119.9° |
| C35 | C36 | H60 | H61 | 119.9° | 120.0° |
| C36 | O14 | C37 | C38 | 179.9° | 180.0° |
| O14 | C36 | C35 | H58 | 60.0° | 55.0° |
| O14 | C36 | C35 | H59 | 59.9° | 175.0° |
| O14 | C36 | H60 | H61 | 119.9° | 120.0° |
| C36 | O14 | C37 | H62 | 60.0° | 60.0° |
| C36 | O14 | C37 | H63 | 59.9° | 60.0° |
| O14 | C37 | C38 | H62 | 120.0° | 120.1° |
| O14 | C37 | C38 | H63 | 120.0° | 120.0° |
| O14 | C37 | C38 | O15 | 180.0° | 65.0° |
| C37 | O14 | C36 | H60 | 60.1° | 60.0° |
| C37 | O14 | C36 | H61 | 59.9° | 60.0° |
| O14 | C37 | H62 | H63 | 119.9° | 120.0° |
| O14 | C37 | C38 | H64 | 60.0° | 175.0° |
| O14 | C37 | C38 | H65 | 59.9° | 55.0° |
| C37 | C38 | O15 | H64 | 120.1° | 120.0° |
| C37 | C38 | O15 | H65 | 120.1° | 120.0° |
| C37 | C38 | O15 | C39 | 180.0° | 180.0° |
| C38 | C37 | H62 | H63 | 119.9° | 119.9° |
| C37 | C38 | H64 | H65 | 119.9° | 120.0° |
| C38 | O15 | C39 | C40 | 180.0° | 180.0° |
| O15 | C38 | C37 | H62 | 59.9° | 55.1° |
| O15 | C38 | C37 | H63 | 60.0° | 175.0° |
| O15 | C38 | H64 | H65 | 119.9° | 120.0° |
| C38 | O15 | C39 | H66 | 59.9° | 60.0° |
| C38 | O15 | C39 | H67 | 60.0° | 60.0° |
| O15 | C39 | C40 | H66 | 120.0° | 119.9° |
| O15 | C39 | C40 | H67 | 120.1° | 120.0° |
| O15 | C39 | C40 | O16 | 179.9° | 65.0° |
| C39 | O15 | C38 | H64 | 60.0° | 60.0° |
| C39 | O15 | C38 | H65 | 59.9° | 60.0° |
| O15 | C39 | H66 | H67 | 119.9° | 120.0° |
| O15 | C39 | C40 | H68 | 60.1° | 174.9° |
| O15 | C39 | C40 | H69 | 59.8° | 55.0° |
| C39 | C40 | O16 | H68 | 120.1° | 120.1° |
| C39 | C40 | O16 | H69 | 120.0° | 120.0° |
| C39 | C40 | O16 | C41 | 179.9° | 180.0° |
| C40 | C39 | H66 | H67 | 119.8° | 120.0° |
| C39 | C40 | H68 | H69 | 119.9° | 119.9° |
| C40 | O16 | C41 | C42 | 179.8° | 180.0° |
| O16 | C40 | C39 | H66 | 59.8° | 55.0° |
| O16 | C40 | C39 | H67 | 60.1° | 175.0° |
| O16 | C40 | H68 | H69 | 119.9° | 120.0° |
| C40 | O16 | C41 | H70 | 59.8° | 59.9° |
| C40 | O16 | C41 | H71 | 60.1° | 60.0° |
| O16 | C41 | C42 | H70 | 120.0° | 120.1° |
| O16 | C41 | C42 | H71 | 120.0° | 120.0° |
| O16 | C41 | C42 | O17 | 179.6° | 65.1° |
| C41 | O16 | C40 | H68 | 59.8° | 59.9° |
| C41 | O16 | C40 | H69 | 60.1° | 60.1° |
| O16 | C41 | H70 | H71 | 119.9° | 120.0° |
| O16 | C41 | C42 | H72 | 59.6° | 175.0° |
| O16 | C41 | C42 | H73 | 60.4° | 55.0° |
| C41 | C42 | O17 | H72 | 120.1° | 119.9° |
| C41 | C42 | O17 | H73 | 120.0° | 120.0° |
| C41 | C42 | O17 | C43 | 179.6° | 180.0° |
| C42 | C41 | H70 | H71 | 119.9° | 120.0° |
| C41 | C42 | H72 | H73 | 119.9° | 120.0° |
| C42 | O17 | C43 | C44 | 178.8° | 180.0° |
| O17 | C42 | C41 | H70 | 60.4° | 55.0° |
| O17 | C42 | C41 | H71 | 59.6° | 175.0° |
| O17 | C42 | H72 | H73 | 119.8° | 120.0° |
| C42 | O17 | C43 | H74 | 61.2° | 60.0° |
| C42 | O17 | C43 | H75 | 58.7° | 60.0° |
| O17 | C43 | C44 | H74 | 120.1° | 120.1° |
| O17 | C43 | C44 | H75 | 120.0° | 120.0° |
| O17 | C43 | C44 | O18 | 174.4° | 65.0° |
| C43 | O17 | C42 | H72 | 59.5° | 60.0° |
| C43 | O17 | C42 | H73 | 60.4° | 60.0° |
| O17 | C43 | H74 | H75 | 119.9° | 120.0° |
| O17 | C43 | C44 | H76 | 54.3° | 175.0° |
| O17 | C43 | C44 | H77 | 65.6° | 55.0° |
| C43 | C44 | O18 | H76 | 120.1° | 120.0° |
| C43 | C44 | O18 | H77 | 120.0° | 120.0° |
| C43 | C44 | O18 | C45 | 171.6° | 180.0° |
| C44 | C43 | H74 | H75 | 119.9° | 119.9° |
| C43 | C44 | H76 | H77 | 119.9° | 120.0° |
| C44 | O18 | C45 | C46 | 173.2° | 180.0° |
| O18 | C44 | C43 | H74 | 65.6° | 55.0° |
| O18 | C44 | C43 | H75 | 54.4° | 174.9° |
| O18 | C44 | H76 | H77 | 119.9° | 120.0° |
| C44 | O18 | C45 | H78 | 66.8° | 60.0° |
| C44 | O18 | C45 | H79 | 53.1° | 60.0° |
| O18 | C45 | C46 | H78 | 120.0° | 120.1° |
| O18 | C45 | C46 | H79 | 120.1° | 120.0° |
| O18 | C45 | C46 | O19 | 172.8° | 65.0° |
| C45 | O18 | C44 | H76 | 68.4° | 60.0° |
| C45 | O18 | C44 | H77 | 51.5° | 60.0° |
| O18 | C45 | H78 | H79 | 119.9° | 120.0° |
| O18 | C45 | C46 | H80 | 67.2° | 175.0° |
| O18 | C45 | C46 | H81 | 52.7° | 55.0° |
| C45 | C46 | O19 | H80 | 120.1° | 120.0° |
| C45 | C46 | O19 | H81 | 120.0° | 120.0° |
| C45 | C46 | O19 | C47 | 176.7° | 180.0° |
| C46 | C45 | H78 | H79 | 119.9° | 120.0° |
| C45 | C46 | H80 | H81 | 119.9° | 120.0° |
| C46 | O19 | C47 | C48 | 174.8° | 180.0° |
| O19 | C46 | C45 | H78 | 52.8° | 55.0° |
| O19 | C46 | C45 | H79 | 67.1° | 175.0° |
| O19 | C46 | H80 | H81 | 119.9° | 120.0° |
| C46 | O19 | C47 | H82 | 65.2° | 60.0° |
| C46 | O19 | C47 | H83 | 54.7° | 60.0° |
| O19 | C47 | C48 | H82 | 120.0° | 119.9° |
| O19 | C47 | C48 | H83 | 120.0° | 120.0° |
| O19 | C47 | C48 | N4 | 163.5° | 65.0° |
| C47 | O19 | C46 | H80 | 63.2° | 60.0° |
| C47 | O19 | C46 | H81 | 56.7° | 60.0° |
| O19 | C47 | H82 | H83 | 119.9° | 119.9° |
| O19 | C47 | C48 | H84 | 76.1° | 175.0° |
| O19 | C47 | C48 | H85 | 43.2° | 55.0° |
| C47 | C48 | N4 | H84 | 120.3° | 120.0° |
| C47 | C48 | N4 | H85 | 120.4° | 120.0° |
| C47 | C48 | N4 | C49 | 54.1° | 180.0° |
| C48 | C47 | H82 | H83 | 119.9° | 120.1° |
| C47 | C48 | H84 | H85 | 118.9° | 120.0° |
| C47 | C48 | N4 | H86 | 125.9° | 0.0° |
| C48 | N4 | C49 | H86 | 180.0° | 180.0° |
| C48 | N4 | C49 | O21 | 0.0° | 0.0° |
| C48 | N4 | C49 | C50 | 180.0° | 180.0° |
| N4 | C48 | C47 | H82 | 43.5° | 55.0° |
| N4 | C48 | C47 | H83 | 76.4° | 175.0° |
| N4 | C48 | H84 | H85 | 118.9° | 120.0° |
| N4 | C49 | O21 | C50 | 180.0° | 180.0° |
| N4 | C49 | C50 | C51 | 135.1° | 180.0° |
| C49 | N4 | C48 | H84 | 66.2° | 60.0° |
| C49 | N4 | C48 | H85 | 174.5° | 60.0° |
| N4 | C49 | C50 | H87 | 104.8° | 60.1° |
| N4 | C49 | C50 | H88 | 15.1° | 60.0° |
| O21 | C49 | C50 | C51 | 44.8° | 0.0° |
| O21 | C49 | N4 | H86 | 180.0° | 180.0° |
| O21 | C49 | C50 | H87 | 75.2° | 120.0° |
| O21 | C49 | C50 | H88 | 164.9° | 119.9° |
| C49 | C50 | C51 | H87 | 120.0° | 120.0° |
| C49 | C50 | C51 | H88 | 120.0° | 120.0° |
| C49 | C50 | C51 | C52 | 173.4° | 180.0° |
| C50 | C49 | N4 | H86 | 0.0° | 0.0° |
| C49 | C50 | H87 | H88 | 119.9° | 120.1° |
| C49 | C50 | C51 | H89 | 66.4° | 60.0° |
| C49 | C50 | C51 | H90 | 53.1° | 60.0° |
| C50 | C51 | C52 | H89 | 120.2° | 120.0° |
| C50 | C51 | C52 | H90 | 120.2° | 120.0° |
| C50 | C51 | C52 | C53 | 171.9° | 180.0° |
| C51 | C50 | H87 | H88 | 119.9° | 119.9° |
| C50 | C51 | H89 | H90 | 119.3° | 120.0° |
| C50 | C51 | C52 | H91 | 51.7° | 60.0° |
| C50 | C51 | C52 | H92 | 67.9° | 60.0° |
| C51 | C52 | C53 | H91 | 120.2° | 120.0° |
| C51 | C52 | C53 | H92 | 120.2° | 120.1° |
| C51 | C52 | C53 | C54 | 136.3° | 180.0° |
| C52 | C51 | C50 | H87 | 53.3° | 60.0° |
| C52 | C51 | C50 | H88 | 66.6° | 60.0° |
| C52 | C51 | H89 | H90 | 119.3° | 120.0° |
| C51 | C52 | H91 | H92 | 119.3° | 120.0° |
| C51 | C52 | C53 | H93 | 103.4° | 60.0° |
| C51 | C52 | C53 | H94 | 16.1° | 60.0° |
| C52 | C53 | C54 | H93 | 120.3° | 120.0° |
| C52 | C53 | C54 | H94 | 120.2° | 120.0° |
| C52 | C53 | C54 | C57 | 178.0° | 175.0° |
| C52 | C53 | C54 | S | 59.1° | 71.8° |
| C53 | C52 | C51 | H89 | 67.9° | 60.1° |
| C53 | C52 | C51 | H90 | 51.6° | 60.0° |
| C53 | C52 | H91 | H92 | 119.3° | 120.0° |
| C52 | C53 | H93 | H94 | 119.3° | 120.0° |
| C52 | C53 | C54 | H2 | 58.7° | 51.7° |
| C53 | C54 | C57 | S | 121.1° | 118.3° |
| C53 | C54 | C57 | H2 | 123.4° | 123.3° |
| C53 | C54 | S | H2 | 119.4° | 123.3° |
| C53 | C54 | C57 | C56 | 123.6° | 142.9° |
| C53 | C54 | C57 | N6 | 8.3° | 28.0° |
| C53 | C54 | S | C55 | 125.1° | 153.0° |
| C54 | C53 | C52 | H91 | 16.1° | 60.0° |
| C54 | C53 | C52 | H92 | 103.5° | 59.9° |
| C54 | C53 | H93 | H94 | 119.3° | 120.0° |
| C53 | C54 | C57 | H4 | 115.2° | 93.6° |
| C57 | C54 | S | H2 | 117.3° | 118.4° |
| C54 | C57 | C56 | N6 | 122.0° | 118.0° |
| C54 | C57 | C56 | H4 | 121.3° | 123.4° |
| C54 | C57 | N6 | H4 | 122.8° | 121.5° |
| C54 | C57 | C56 | C55 | 2.3° | 0.0° |
| C54 | C57 | C56 | N5 | 122.1° | 118.0° |
| C57 | C54 | S | C55 | 1.8° | 34.7° |
| C54 | C57 | N6 | C58 | 121.5° | 120.2° |
| C57 | C54 | C53 | H93 | 61.8° | 55.0° |
| C57 | C54 | C53 | H94 | 57.8° | 65.0° |
| C54 | C57 | C56 | H3 | 120.3° | 123.5° |
| C54 | C57 | N6 | H98 | 58.5° | 59.8° |
| S | C54 | C57 | C56 | 2.5° | 24.6° |
| S | C54 | C57 | N6 | 112.8° | 90.3° |
| C54 | S | C55 | C56 | 0.6° | 34.7° |
| S | C54 | C53 | H93 | 179.3° | 168.3° |
| S | C54 | C53 | H94 | 61.1° | 48.3° |
| S | C54 | C57 | H4 | 123.8° | 148.1° |
| C54 | S | C55 | H96 | 118.9° | 83.6° |
| C54 | S | C55 | H95 | 120.0° | 153.0° |
| C56 | C57 | N6 | H4 | 115.8° | 118.4° |
| C57 | C56 | C55 | N5 | 114.7° | 114.9° |
| C57 | C56 | C55 | H3 | 122.5° | 123.5° |
| C57 | C56 | N5 | H3 | 116.6° | 118.4° |
| C57 | C56 | C55 | S | 0.9° | 24.6° |
| C56 | C57 | N6 | C58 | 0.1° | 0.0° |
| C57 | C56 | N5 | C58 | 0.1° | 0.0° |
| C56 | C57 | C54 | H2 | 113.0° | 93.8° |
| C57 | C56 | C55 | H96 | 120.4° | 93.7° |
| C57 | C56 | C55 | H95 | 118.6° | 142.9° |
| C56 | C57 | N6 | H98 | 179.9° | 180.0° |
| C57 | C56 | N5 | H97 | 179.9° | 180.0° |
| N6 | C57 | C56 | C55 | 119.7° | 118.0° |
| N6 | C57 | C56 | N5 | 0.1° | 0.0° |
| C57 | N6 | C58 | H98 | 180.0° | 180.0° |
| C57 | N6 | C58 | O20 | 180.0° | 180.0° |
| C57 | N6 | C58 | N5 | 0.1° | 0.0° |
| N6 | C57 | C54 | H2 | 131.7° | 151.3° |
| N6 | C57 | C56 | H3 | 117.7° | 118.5° |
| C55 | C56 | N5 | H3 | 122.2° | 121.4° |
| C56 | C55 | S | H96 | 119.5° | 118.3° |
| C56 | C55 | S | H95 | 119.5° | 118.4° |
| C55 | C56 | N5 | C58 | 121.0° | 120.2° |
| C55 | C56 | C57 | H4 | 123.6° | 123.4° |
| C56 | C55 | H96 | H95 | 121.5° | 123.4° |
| C55 | C56 | N5 | H97 | 58.9° | 59.8° |
| N5 | C56 | C55 | S | 115.6° | 90.3° |
| C56 | N5 | C58 | N6 | 0.0° | 0.0° |
| C56 | N5 | C58 | O20 | 179.9° | 180.0° |
| C56 | N5 | C58 | H97 | 180.0° | 180.0° |
| N5 | C56 | C57 | H4 | 116.5° | 118.5° |
| N5 | C56 | C55 | H96 | 124.9° | 151.4° |
| N5 | C56 | C55 | H95 | 3.9° | 28.0° |
| C55 | S | C54 | H2 | 115.5° | 83.7° |
| S | C55 | C56 | H3 | 121.6° | 148.1° |
| S | C55 | H96 | H95 | 121.6° | 123.3° |
| N6 | C58 | O20 | N5 | 179.9° | 180.0° |
| C58 | N6 | C57 | H4 | 115.7° | 118.3° |
| N6 | C58 | N5 | H97 | 180.0° | 180.0° |
| O20 | C58 | N6 | H98 | 0.0° | 0.0° |
| O20 | C58 | N5 | H97 | 0.1° | 0.0° |
| C58 | N5 | C56 | H3 | 116.8° | 118.4° |
| N5 | C58 | N6 | H98 | 179.9° | 180.0° |
| H22 | N2 | C11 | H20 | 12.5° | 120.1° |
| H22 | N2 | C11 | H21 | 131.8° | 120.0° |
| H20 | C11 | C10 | H18 | 149.1° | 180.0° |
| H20 | C11 | C10 | H19 | 29.6° | 60.0° |
| H21 | C11 | C10 | H18 | 91.6° | 59.9° |
| H21 | C11 | C10 | H19 | 148.9° | 180.0° |
| H18 | C10 | C9 | H16 | 121.4° | 179.9° |
| H18 | C10 | C9 | H17 | 1.8° | 60.0° |
| H19 | C10 | C9 | H16 | 119.1° | 60.0° |
| H19 | C10 | C9 | H17 | 121.4° | 180.0° |
| H16 | C9 | C8 | H14 | 109.3° | 180.0° |
| H16 | C9 | C8 | H15 | 131.1° | 60.1° |
| H17 | C9 | C8 | H14 | 10.2° | 60.1° |
| H17 | C9 | C8 | H15 | 109.4° | 180.0° |
| H14 | C8 | C1 | H | 62.9° | 65.0° |
| H15 | C8 | C1 | H | 177.6° | 175.0° |
| H | C1 | N | H6 | 2.8° | 145.0° |
| H7 | N1 | C3 | H1 | 145.1° | 145.0° |
| H1 | C3 | C4 | H8 | 59.0° | 175.0° |
| H1 | C3 | C4 | H9 | 178.5° | 64.9° |
| H8 | C4 | C5 | H10 | 160.7° | 180.0° |
| H8 | C4 | C5 | H11 | 79.4° | 60.0° |
| H9 | C4 | C5 | H10 | 41.2° | 60.0° |
| H9 | C4 | C5 | H11 | 161.1° | 180.0° |
| H28 | C18 | C17 | H27 | 0.0° | 0.1° |
| H27 | C17 | C16 | H26 | 0.0° | 0.1° |
| H26 | C16 | C15 | H25 | 0.0° | 0.1° |
| H29 | C20 | C21 | H31 | 136.2° | 65.0° |
| H29 | C20 | C21 | H32 | 104.5° | 175.0° |
| H30 | C20 | C21 | H31 | 16.3° | 55.0° |
| H30 | C20 | C21 | H32 | 135.6° | 65.1° |
| H31 | C21 | N3 | H33 | 104.8° | 120.0° |
| H32 | C21 | N3 | H33 | 14.5° | 119.9° |
| H34 | C23 | C24 | H36 | 166.3° | 180.0° |
| H34 | C23 | C24 | H37 | 46.4° | 60.0° |
| H35 | C23 | C24 | H36 | 73.7° | 60.0° |
| H35 | C23 | C24 | H37 | 166.4° | 180.0° |
| H38 | C25 | C26 | H40 | 167.0° | 65.0° |
| H38 | C25 | C26 | H41 | 73.1° | 175.0° |
| H39 | C25 | C26 | H40 | 47.1° | 55.1° |
| H39 | C25 | C26 | H41 | 167.0° | 65.0° |
| H42 | C27 | C28 | H44 | 175.5° | 65.0° |
| H42 | C27 | C28 | H45 | 55.6° | 175.0° |
| H43 | C27 | C28 | H44 | 64.6° | 55.1° |
| H43 | C27 | C28 | H45 | 175.5° | 65.0° |
| H46 | C29 | C30 | H48 | 175.1° | 65.0° |
| H46 | C29 | C30 | H49 | 65.0° | 175.0° |
| H47 | C29 | C30 | H48 | 55.2° | 55.0° |
| H47 | C29 | C30 | H49 | 175.1° | 65.0° |
| H50 | C31 | C32 | H52 | 179.7° | 65.0° |
| H50 | C31 | C32 | H53 | 59.7° | 175.0° |
| H51 | C31 | C32 | H52 | 60.4° | 55.0° |
| H51 | C31 | C32 | H53 | 179.6° | 65.0° |
| H54 | C33 | C34 | H56 | 179.5° | 65.1° |
| H54 | C33 | C34 | H57 | 60.6° | 175.0° |
| H55 | C33 | C34 | H56 | 59.6° | 55.0° |
| H55 | C33 | C34 | H57 | 179.5° | 64.9° |
| H58 | C35 | C36 | H60 | 180.0° | 64.9° |
| H58 | C35 | C36 | H61 | 60.1° | 175.0° |
| H59 | C35 | C36 | H60 | 60.1° | 55.0° |
| H59 | C35 | C36 | H61 | 180.0° | 65.0° |
| H62 | C37 | C38 | H64 | 180.0° | 65.0° |
| H62 | C37 | C38 | H65 | 60.1° | 175.1° |
| H63 | C37 | C38 | H64 | 60.0° | 55.0° |
| H63 | C37 | C38 | H65 | 179.9° | 65.0° |
| H66 | C39 | C40 | H68 | 179.9° | 65.1° |
| H66 | C39 | C40 | H69 | 60.2° | 175.0° |
| H67 | C39 | C40 | H68 | 60.0° | 54.9° |
| H67 | C39 | C40 | H69 | 179.9° | 65.0° |
| H70 | C41 | C42 | H72 | 179.6° | 65.0° |
| H70 | C41 | C42 | H73 | 59.7° | 175.0° |
| H71 | C41 | C42 | H72 | 60.5° | 55.0° |
| H71 | C41 | C42 | H73 | 179.6° | 65.0° |
| H74 | C43 | C44 | H76 | 174.4° | 64.9° |
| H74 | C43 | C44 | H77 | 54.5° | 175.1° |
| H75 | C43 | C44 | H76 | 65.7° | 55.0° |
| H75 | C43 | C44 | H77 | 174.4° | 65.0° |
| H78 | C45 | C46 | H80 | 172.8° | 65.0° |
| H78 | C45 | C46 | H81 | 67.3° | 175.0° |
| H79 | C45 | C46 | H80 | 52.9° | 55.0° |
| H79 | C45 | C46 | H81 | 172.8° | 65.0° |
| H82 | C47 | C48 | H84 | 163.9° | 65.1° |
| H82 | C47 | C48 | H85 | 76.8° | 175.0° |
| H83 | C47 | C48 | H84 | 43.9° | 55.0° |
| H83 | C47 | C48 | H85 | 163.2° | 65.0° |
| H84 | C48 | N4 | H86 | 113.8° | 120.0° |
| H85 | C48 | N4 | H86 | 5.5° | 120.0° |
| H87 | C50 | C51 | H89 | 173.6° | 180.0° |
| H87 | C50 | C51 | H90 | 66.9° | 60.0° |
| H88 | C50 | C51 | H89 | 53.6° | 60.0° |
| H88 | C50 | C51 | H90 | 173.2° | 180.0° |
| H89 | C51 | C52 | H91 | 171.9° | 180.0° |
| H89 | C51 | C52 | H92 | 52.4° | 60.0° |
| H90 | C51 | C52 | H91 | 68.6° | 60.0° |
| H90 | C51 | C52 | H92 | 171.9° | 180.0° |
| H91 | C52 | C53 | H93 | 136.3° | 180.0° |
| H91 | C52 | C53 | H94 | 104.1° | 60.0° |
| H92 | C52 | C53 | H93 | 16.8° | 60.0° |
| H92 | C52 | C53 | H94 | 136.3° | 180.0° |
| H93 | C53 | C54 | H2 | 61.6° | 68.3° |
| H94 | C53 | C54 | H2 | 178.9° | 171.7° |
| H2 | C54 | C57 | H4 | 8.2° | 29.6° |
| H4 | C57 | C56 | H3 | 1.0° | 0.0° |
| H4 | C57 | N6 | H98 | 64.4° | 61.6° |
| H3 | C56 | C55 | H96 | 2.1° | 29.8° |
| H3 | C56 | C55 | H95 | 118.9° | 93.6° |
| H3 | C56 | N5 | H97 | 63.3° | 61.6° |
