WUA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | N | sing | 1.47Å | 1.47Å | |
| N | C34 | sing | 1.47Å | 1.47Å | |
| N | C28 | sing | 1.47Å | 1.48Å | |
| N | C35 | sing | 1.47Å | 1.47Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | C6 | sing | 1.53Å | 1.53Å | |
| C28 | C40 | sing | 1.53Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C6 | C4 | sing | 1.53Å | 1.53Å | |
| C40 | O | sing | 1.43Å | 1.43Å | |
| C4 | C2 | sing | 1.53Å | 1.53Å | |
| C16 | C19 | sing | 1.53Å | 1.53Å | |
| O | P | sing | 1.61Å | 1.62Å | |
| O5 | P | doub | 1.48Å | 1.51Å | |
| C19 | C27 | sing | 1.53Å | 1.53Å | |
| C2 | C | sing | 1.53Å | 1.53Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| P | O1 | sing | 1.61Å | 1.62Å | |
| P | O4 | sing | 1.61Å | 1.51Å | |
| O3 | C38 | doub | 1.21Å | 1.22Å | |
| C5 | C3 | sing | 1.53Å | 1.52Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| C27 | C39 | sing | 1.53Å | 1.52Å | |
| O1 | C41 | sing | 1.43Å | 1.43Å | |
| C38 | N1 | sing | 1.35Å | 1.33Å | |
| C38 | C26 | sing | 1.51Å | 1.52Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| N1 | C29 | sing | 1.46Å | 1.45Å | |
| C11 | C9 | sing | 1.53Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C17 | C26 | sing | 1.53Å | 1.53Å | |
| C17 | C15 | sing | 1.53Å | 1.52Å | |
| C39 | C45 | sing | 1.53Å | 1.51Å | |
| C41 | C29 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C29 | C32 | sing | 1.53Å | 1.53Å | |
| O2 | C32 | sing | 1.43Å | 1.43Å | |
| C32 | C42 | sing | 1.51Å | 1.51Å | |
| C46 | C44 | sing | 1.53Å | 1.52Å | |
| C44 | C37 | sing | 1.53Å | 1.52Å | |
| C37 | C31 | sing | 1.53Å | 1.52Å | |
| C42 | C43 | doub | 1.31Å | 1.33Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | C21 | sing | 1.53Å | 1.52Å | |
| C25 | C31 | sing | 1.53Å | 1.52Å | |
| C43 | C33 | sing | 1.51Å | 1.51Å | |
| C18 | C21 | sing | 1.53Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C24 | C22 | sing | 1.53Å | 1.52Å | |
| C24 | C30 | sing | 1.53Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.52Å | |
| C33 | C30 | sing | 1.53Å | 1.53Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C3 | H46 | sing | 1.09Å | 1.10Å | |
| C3 | 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 | |
| C33 | H53 | sing | 1.09Å | 1.10Å | |
| C33 | H54 | sing | 1.09Å | 1.10Å | |
| C34 | 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 | |
| C35 | H60 | sing | 1.09Å | 1.10Å | |
| C36 | H61 | sing | 1.09Å | 1.10Å | |
| C36 | H62 | sing | 1.09Å | 1.10Å | |
| C36 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C39 | H66 | sing | 1.09Å | 1.10Å | |
| C39 | H67 | sing | 1.09Å | 1.10Å | |
| C4 | H68 | sing | 1.09Å | 1.10Å | |
| C4 | H69 | sing | 1.09Å | 1.10Å | |
| C40 | H70 | sing | 1.09Å | 1.10Å | |
| C40 | H71 | sing | 1.09Å | 1.10Å | |
| C41 | H72 | sing | 1.09Å | 1.10Å | |
| C41 | H73 | sing | 1.09Å | 1.10Å | |
| C42 | H74 | sing | 1.08Å | 1.08Å | |
| C43 | H75 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C45 | H80 | sing | 1.09Å | 1.10Å | |
| C46 | H81 | sing | 1.09Å | 1.10Å | |
| C46 | H82 | sing | 1.09Å | 1.10Å | |
| C46 | H83 | sing | 1.09Å | 1.10Å | |
| C5 | H84 | sing | 1.09Å | 1.10Å | |
| C5 | H85 | sing | 1.09Å | 1.10Å | |
| C6 | H86 | sing | 1.09Å | 1.10Å | |
| C6 | H87 | sing | 1.09Å | 1.10Å | |
| C7 | H88 | sing | 1.09Å | 1.10Å | |
| C7 | H89 | sing | 1.09Å | 1.10Å | |
| C8 | H90 | sing | 1.09Å | 1.10Å | |
| C8 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å | |
| N1 | H94 | sing | 0.97Å | 1.00Å | |
| O2 | H95 | sing | 0.97Å | 0.95Å | |
| O4 | H96 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | N | C34 | 108.3° | 109.5° |
| C36 | N | C28 | 109.6° | 109.5° |
| C36 | N | C35 | 108.4° | 109.4° |
| N | C36 | H61 | 109.5° | 109.5° |
| N | C36 | H62 | 109.5° | 109.5° |
| N | C36 | H63 | 109.4° | 109.4° |
| C34 | N | C28 | 108.9° | 109.5° |
| C34 | N | C35 | 109.1° | 109.5° |
| N | C34 | H55 | 109.5° | 109.5° |
| N | C34 | H56 | 109.4° | 109.5° |
| N | C34 | H57 | 109.5° | 109.4° |
| C28 | N | C35 | 112.4° | 109.5° |
| N | C28 | C40 | 113.5° | 109.5° |
| N | C28 | H43 | 108.5° | 109.4° |
| N | C28 | H44 | 108.5° | 109.5° |
| N | C35 | H58 | 109.5° | 109.4° |
| N | C35 | H59 | 109.5° | 109.4° |
| N | C35 | H60 | 109.5° | 109.5° |
| C10 | C8 | C6 | 112.1° | 109.4° |
| C8 | C10 | C12 | 110.9° | 109.4° |
| C8 | C10 | H5 | 109.1° | 109.5° |
| C8 | C10 | H6 | 109.1° | 109.5° |
| C10 | C8 | H90 | 108.8° | 109.5° |
| C10 | C8 | H91 | 108.8° | 109.5° |
| C8 | C6 | C4 | 110.5° | 109.5° |
| C8 | C6 | H86 | 109.2° | 109.5° |
| C8 | C6 | H87 | 109.2° | 109.5° |
| C6 | C8 | H90 | 108.8° | 109.4° |
| C6 | C8 | H91 | 108.8° | 109.5° |
| C28 | C40 | O | 112.6° | 109.5° |
| C40 | C28 | H43 | 108.4° | 109.4° |
| C40 | C28 | H44 | 108.5° | 109.5° |
| C28 | C40 | H70 | 108.7° | 109.5° |
| C28 | C40 | H71 | 108.7° | 109.5° |
| C10 | C12 | C14 | 113.6° | 109.4° |
| C12 | C10 | H5 | 109.1° | 109.5° |
| C12 | C10 | H6 | 109.1° | 109.5° |
| C10 | C12 | H9 | 108.5° | 109.5° |
| C10 | C12 | H10 | 108.4° | 109.5° |
| C12 | C14 | C16 | 112.6° | 109.5° |
| C14 | C12 | H9 | 108.4° | 109.5° |
| C14 | C12 | H10 | 108.5° | 109.5° |
| C12 | C14 | H13 | 108.7° | 109.5° |
| C12 | C14 | H14 | 108.7° | 109.5° |
| C14 | C16 | C19 | 113.4° | 109.5° |
| C16 | C14 | H13 | 108.7° | 109.5° |
| C16 | C14 | H14 | 108.7° | 109.4° |
| C14 | C16 | H17 | 108.5° | 109.5° |
| C14 | C16 | H18 | 108.5° | 109.4° |
| C6 | C4 | C2 | 112.5° | 109.5° |
| C6 | C4 | H68 | 108.7° | 109.5° |
| C6 | C4 | H69 | 108.7° | 109.4° |
| C4 | C6 | H86 | 109.2° | 109.4° |
| C4 | C6 | H87 | 109.2° | 109.4° |
| C40 | O | P | 119.1° | 123.0° |
| O | C40 | H70 | 108.7° | 109.4° |
| O | C40 | H71 | 108.7° | 109.5° |
| C4 | C2 | C | 110.8° | 109.5° |
| C4 | C2 | H25 | 109.1° | 109.4° |
| C4 | C2 | H26 | 109.1° | 109.5° |
| C2 | C4 | H68 | 108.7° | 109.5° |
| C2 | C4 | H69 | 108.7° | 109.5° |
| C16 | C19 | C27 | 110.8° | 109.5° |
| C19 | C16 | H17 | 108.5° | 109.5° |
| C19 | C16 | H18 | 108.5° | 109.5° |
| C16 | C19 | H23 | 109.2° | 109.5° |
| C16 | C19 | H24 | 109.1° | 109.5° |
| O | P | O5 | 109.0° | 109.5° |
| O | P | O1 | 113.7° | 109.4° |
| O | P | O4 | 107.5° | 109.5° |
| O5 | P | O1 | 108.2° | 109.5° |
| O5 | P | O4 | 110.3° | 109.5° |
| C19 | C27 | C39 | 112.5° | 109.5° |
| C27 | C19 | H23 | 109.2° | 109.5° |
| C27 | C19 | H24 | 109.2° | 109.5° |
| C19 | C27 | H41 | 108.7° | 109.5° |
| C19 | C27 | H42 | 108.7° | 109.5° |
| C2 | C | C1 | 113.6° | 109.5° |
| C2 | C | H1 | 108.4° | 109.4° |
| C2 | C | H2 | 108.4° | 109.5° |
| C | C2 | H25 | 109.2° | 109.4° |
| C | C2 | H26 | 109.2° | 109.5° |
| C | C1 | C3 | 111.5° | 109.5° |
| C1 | C | H1 | 108.4° | 109.5° |
| C1 | C | H2 | 108.4° | 109.5° |
| C | C1 | H3 | 108.9° | 109.5° |
| C | C1 | H4 | 109.0° | 109.5° |
| C1 | C3 | C5 | 112.7° | 109.5° |
| C3 | C1 | H3 | 109.0° | 109.5° |
| C3 | C1 | H4 | 109.0° | 109.5° |
| C1 | C3 | H46 | 108.7° | 109.5° |
| C1 | C3 | H47 | 108.7° | 109.5° |
| O1 | P | O4 | 108.1° | 109.5° |
| P | O1 | C41 | 119.2° | 122.9° |
| P | O4 | H96 | 109.5° | 114.0° |
| O3 | C38 | N1 | 122.4° | 120.0° |
| O3 | C38 | C26 | 121.1° | 120.0° |
| C3 | C5 | C7 | 110.4° | 109.5° |
| C5 | C3 | H46 | 108.6° | 109.5° |
| C5 | C3 | H47 | 108.7° | 109.4° |
| C3 | C5 | H84 | 109.2° | 109.5° |
| C3 | C5 | H85 | 109.3° | 109.5° |
| C5 | C7 | C9 | 112.7° | 109.4° |
| C7 | C5 | H84 | 109.2° | 109.5° |
| C7 | C5 | H85 | 109.2° | 109.4° |
| C5 | C7 | H88 | 108.7° | 109.5° |
| C5 | C7 | H89 | 108.6° | 109.4° |
| C27 | C39 | C45 | 111.2° | 109.5° |
| C39 | C27 | H41 | 108.7° | 109.5° |
| C39 | C27 | H42 | 108.7° | 109.4° |
| C27 | C39 | H66 | 109.1° | 109.4° |
| C27 | C39 | H67 | 109.1° | 109.4° |
| O1 | C41 | C29 | 111.9° | 109.4° |
| O1 | C41 | H72 | 108.9° | 109.5° |
| O1 | C41 | H73 | 108.9° | 109.5° |
| N1 | C38 | C26 | 116.4° | 120.0° |
| C38 | N1 | C29 | 122.9° | 120.0° |
| C38 | N1 | H94 | 118.5° | 120.0° |
| C38 | C26 | C17 | 109.4° | 109.5° |
| C38 | C26 | H39 | 109.5° | 109.5° |
| C38 | C26 | H40 | 109.5° | 109.5° |
| C7 | C9 | C11 | 109.4° | 109.4° |
| C9 | C7 | H88 | 108.6° | 109.5° |
| C9 | C7 | H89 | 108.7° | 109.5° |
| C7 | C9 | H92 | 109.5° | 109.5° |
| C7 | C9 | H93 | 109.5° | 109.5° |
| N1 | C29 | C41 | 109.9° | 109.5° |
| N1 | C29 | C32 | 112.0° | 109.5° |
| N1 | C29 | H45 | 108.6° | 109.5° |
| C29 | N1 | H94 | 118.5° | 120.0° |
| C9 | C11 | C13 | 112.6° | 109.5° |
| C9 | C11 | H7 | 108.7° | 109.4° |
| C9 | C11 | H8 | 108.7° | 109.4° |
| C11 | C9 | H92 | 109.5° | 109.4° |
| C11 | C9 | H93 | 109.5° | 109.4° |
| C11 | C13 | C15 | 111.4° | 109.5° |
| C13 | C11 | H7 | 108.7° | 109.5° |
| C13 | C11 | H8 | 108.7° | 109.5° |
| C11 | C13 | H11 | 109.0° | 109.4° |
| C11 | C13 | H12 | 109.0° | 109.5° |
| C26 | C17 | C15 | 112.1° | 109.5° |
| C26 | C17 | H19 | 108.8° | 109.5° |
| C26 | C17 | H20 | 108.8° | 109.5° |
| C17 | C26 | H39 | 109.5° | 109.5° |
| C17 | C26 | H40 | 109.5° | 109.5° |
| C17 | C15 | C13 | 111.0° | 109.5° |
| C17 | C15 | H15 | 109.1° | 109.5° |
| C17 | C15 | H16 | 109.1° | 109.5° |
| C15 | C17 | H19 | 108.8° | 109.5° |
| C15 | C17 | H20 | 108.8° | 109.4° |
| C45 | C39 | H66 | 109.0° | 109.5° |
| C45 | C39 | H67 | 109.0° | 109.5° |
| C39 | C45 | H78 | 109.5° | 109.5° |
| C39 | C45 | H79 | 109.4° | 109.4° |
| C39 | C45 | H80 | 109.5° | 109.5° |
| C41 | C29 | C32 | 110.8° | 109.5° |
| C41 | C29 | H45 | 107.7° | 109.5° |
| C29 | C41 | H72 | 108.9° | 109.5° |
| C29 | C41 | H73 | 108.9° | 109.4° |
| C15 | C13 | H11 | 109.0° | 109.5° |
| C15 | C13 | H12 | 109.0° | 109.5° |
| C13 | C15 | H15 | 109.1° | 109.5° |
| C13 | C15 | H16 | 109.1° | 109.5° |
| C29 | C32 | O2 | 110.1° | 109.4° |
| C29 | C32 | C42 | 110.0° | 109.5° |
| C32 | C29 | H45 | 107.7° | 109.4° |
| C29 | C32 | H52 | 108.9° | 109.5° |
| O2 | C32 | C42 | 108.5° | 109.5° |
| O2 | C32 | H52 | 110.2° | 109.5° |
| C32 | O2 | H95 | 109.5° | 114.0° |
| C32 | C42 | C43 | 118.4° | 120.0° |
| C42 | C32 | H52 | 109.1° | 109.4° |
| C32 | C42 | H74 | 120.8° | 120.0° |
| C46 | C44 | C37 | 109.5° | 109.5° |
| C46 | C44 | H76 | 109.4° | 109.5° |
| C46 | C44 | H77 | 109.5° | 109.5° |
| C44 | C46 | H81 | 109.5° | 109.5° |
| C44 | C46 | H82 | 109.5° | 109.5° |
| C44 | C46 | H83 | 109.5° | 109.5° |
| C44 | C37 | C31 | 111.8° | 109.5° |
| C44 | C37 | H64 | 108.9° | 109.5° |
| C44 | C37 | H65 | 108.9° | 109.5° |
| C37 | C44 | H76 | 109.5° | 109.5° |
| C37 | C44 | H77 | 109.5° | 109.4° |
| C37 | C31 | C25 | 109.8° | 109.5° |
| C37 | C31 | H50 | 109.4° | 109.4° |
| C37 | C31 | H51 | 109.4° | 109.5° |
| C31 | C37 | H64 | 108.9° | 109.4° |
| C31 | C37 | H65 | 108.9° | 109.5° |
| C42 | C43 | C33 | 120.9° | 120.0° |
| C43 | C42 | H74 | 120.8° | 120.0° |
| C42 | C43 | H75 | 119.6° | 120.0° |
| C25 | C23 | C21 | 108.5° | 109.5° |
| C23 | C25 | C31 | 110.4° | 109.5° |
| C25 | C23 | H33 | 109.7° | 109.5° |
| C25 | C23 | H34 | 109.7° | 109.5° |
| C23 | C25 | H37 | 109.2° | 109.5° |
| C23 | C25 | H38 | 109.2° | 109.5° |
| C23 | C21 | C18 | 111.0° | 109.5° |
| C23 | C21 | H29 | 109.1° | 109.5° |
| C23 | C21 | H30 | 109.1° | 109.5° |
| C21 | C23 | H33 | 109.7° | 109.4° |
| C21 | C23 | H34 | 109.7° | 109.4° |
| C31 | C25 | H37 | 109.2° | 109.5° |
| C31 | C25 | H38 | 109.3° | 109.4° |
| C25 | C31 | H50 | 109.4° | 109.5° |
| C25 | C31 | H51 | 109.4° | 109.5° |
| C43 | C33 | C30 | 109.8° | 109.5° |
| C43 | C33 | H53 | 109.4° | 109.5° |
| C43 | C33 | H54 | 109.4° | 109.4° |
| C33 | C43 | H75 | 119.5° | 120.0° |
| C21 | C18 | C20 | 111.8° | 109.5° |
| C21 | C18 | H21 | 108.9° | 109.4° |
| C21 | C18 | H22 | 108.9° | 109.5° |
| C18 | C21 | H29 | 109.1° | 109.4° |
| C18 | C21 | H30 | 109.1° | 109.5° |
| C18 | C20 | C22 | 111.2° | 109.5° |
| C20 | C18 | H21 | 108.9° | 109.5° |
| C20 | C18 | H22 | 108.9° | 109.5° |
| C18 | C20 | H27 | 109.0° | 109.5° |
| C18 | C20 | H28 | 109.0° | 109.5° |
| C22 | C24 | C30 | 110.5° | 109.5° |
| C24 | C22 | C20 | 111.4° | 109.5° |
| C24 | C22 | H31 | 109.0° | 109.4° |
| C24 | C22 | H32 | 109.0° | 109.4° |
| C22 | C24 | H35 | 109.2° | 109.5° |
| C22 | C24 | H36 | 109.2° | 109.5° |
| C24 | C30 | C33 | 111.7° | 109.5° |
| C30 | C24 | H35 | 109.2° | 109.4° |
| C30 | C24 | H36 | 109.2° | 109.4° |
| C24 | C30 | H48 | 108.9° | 109.4° |
| C24 | C30 | H49 | 109.0° | 109.4° |
| C22 | C20 | H27 | 109.0° | 109.4° |
| C22 | C20 | H28 | 109.0° | 109.5° |
| C20 | C22 | H31 | 109.0° | 109.5° |
| C20 | C22 | H32 | 109.0° | 109.5° |
| C33 | C30 | H48 | 108.9° | 109.5° |
| C33 | C30 | H49 | 108.9° | 109.5° |
| C30 | C33 | H53 | 109.4° | 109.5° |
| C30 | C33 | H54 | 109.4° | 109.5° |
| H1 | C | H2 | 109.5° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.4° |
| H5 | C10 | H6 | 109.4° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.4° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.4° |
| H15 | C15 | H16 | 109.5° | 109.4° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H23 | C19 | H24 | 109.4° | 109.4° |
| H25 | C2 | H26 | 109.5° | 109.5° |
| H27 | C20 | H28 | 109.5° | 109.4° |
| H29 | C21 | H30 | 109.5° | 109.5° |
| H31 | C22 | H32 | 109.5° | 109.5° |
| H33 | C23 | H34 | 109.4° | 109.5° |
| H35 | C24 | H36 | 109.5° | 109.5° |
| H37 | C25 | H38 | 109.4° | 109.5° |
| H39 | C26 | H40 | 109.4° | 109.4° |
| H41 | C27 | H42 | 109.5° | 109.4° |
| H43 | C28 | H44 | 109.5° | 109.5° |
| H46 | C3 | H47 | 109.5° | 109.5° |
| H48 | C30 | H49 | 109.5° | 109.5° |
| H50 | C31 | H51 | 109.5° | 109.5° |
| H53 | C33 | H54 | 109.5° | 109.5° |
| H55 | C34 | H56 | 109.5° | 109.5° |
| H55 | C34 | H57 | 109.5° | 109.5° |
| H56 | C34 | H57 | 109.5° | 109.5° |
| H58 | C35 | H59 | 109.5° | 109.5° |
| H58 | C35 | H60 | 109.5° | 109.5° |
| H59 | C35 | H60 | 109.5° | 109.5° |
| H61 | C36 | H62 | 109.5° | 109.5° |
| H61 | C36 | H63 | 109.4° | 109.5° |
| H62 | C36 | H63 | 109.5° | 109.4° |
| H64 | C37 | H65 | 109.5° | 109.4° |
| H66 | C39 | H67 | 109.4° | 109.5° |
| H68 | C4 | H69 | 109.4° | 109.4° |
| H70 | C40 | H71 | 109.4° | 109.4° |
| H72 | C41 | H73 | 109.4° | 109.5° |
| H76 | C44 | H77 | 109.5° | 109.4° |
| H78 | C45 | H79 | 109.5° | 109.4° |
| H78 | C45 | H80 | 109.5° | 109.5° |
| H79 | C45 | H80 | 109.5° | 109.5° |
| H81 | C46 | H82 | 109.4° | 109.5° |
| H81 | C46 | H83 | 109.5° | 109.5° |
| H82 | C46 | H83 | 109.5° | 109.5° |
| H84 | C5 | H85 | 109.5° | 109.5° |
| H86 | C6 | H87 | 109.5° | 109.5° |
| H88 | C7 | H89 | 109.5° | 109.5° |
| H90 | C8 | H91 | 109.5° | 109.5° |
| H92 | C9 | H93 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | N | C34 | C28 | 119.1° | 120.1° |
| C36 | N | C34 | C35 | 117.9° | 119.9° |
| C36 | N | C28 | C35 | 120.7° | 120.0° |
| C36 | N | C28 | C40 | 136.0° | 65.4° |
| C36 | N | C28 | H43 | 15.4° | 54.5° |
| C36 | N | C28 | H44 | 103.4° | 174.6° |
| C36 | N | C34 | H55 | 180.0° | 180.0° |
| C36 | N | C34 | H56 | 60.0° | 59.9° |
| C36 | N | C34 | H57 | 60.0° | 60.0° |
| C36 | N | C35 | H58 | 180.0° | 180.0° |
| C36 | N | C35 | H59 | 60.0° | 60.1° |
| C36 | N | C35 | H60 | 60.0° | 60.0° |
| N | C36 | H61 | H62 | 120.0° | 120.0° |
| N | C36 | H61 | H63 | 120.0° | 119.9° |
| N | C36 | H62 | H63 | 120.0° | 119.9° |
| C34 | N | C28 | C35 | 121.0° | 120.0° |
| C34 | N | C28 | C40 | 105.7° | 54.6° |
| C34 | N | C28 | H43 | 133.7° | 174.6° |
| C34 | N | C28 | H44 | 14.9° | 65.4° |
| N | C34 | H55 | H56 | 120.0° | 120.0° |
| N | C34 | H55 | H57 | 120.0° | 120.0° |
| N | C34 | H56 | H57 | 120.0° | 120.0° |
| C34 | N | C35 | H58 | 62.2° | 60.0° |
| C34 | N | C35 | H59 | 57.8° | 180.0° |
| C34 | N | C35 | H60 | 177.8° | 60.0° |
| C34 | N | C36 | H61 | 180.0° | 69.4° |
| C34 | N | C36 | H62 | 60.0° | 170.6° |
| C34 | N | C36 | H63 | 60.0° | 50.7° |
| N | C28 | C40 | H43 | 120.6° | 120.0° |
| N | C28 | C40 | H44 | 120.6° | 120.1° |
| N | C28 | C40 | O | 163.2° | 67.0° |
| N | C28 | H43 | H44 | 118.2° | 120.1° |
| C28 | N | C34 | H55 | 60.9° | 59.9° |
| C28 | N | C34 | H56 | 59.1° | 180.0° |
| C28 | N | C34 | H57 | 179.1° | 60.0° |
| C28 | N | C35 | H58 | 58.7° | 60.0° |
| C28 | N | C35 | H59 | 178.7° | 60.0° |
| C28 | N | C35 | H60 | 61.3° | 180.0° |
| C28 | N | C36 | H61 | 61.3° | 170.6° |
| C28 | N | C36 | H62 | 178.7° | 50.5° |
| C28 | N | C36 | H63 | 58.7° | 69.4° |
| N | C28 | C40 | H70 | 42.7° | 53.0° |
| N | C28 | C40 | H71 | 76.3° | 173.0° |
| C35 | N | C28 | C40 | 15.3° | 174.6° |
| C35 | N | C28 | H43 | 105.3° | 65.4° |
| C35 | N | C28 | H44 | 135.9° | 54.6° |
| C35 | N | C34 | H55 | 62.2° | 60.1° |
| C35 | N | C34 | H56 | 177.8° | 60.0° |
| C35 | N | C34 | H57 | 57.8° | 180.0° |
| N | C35 | H58 | H59 | 120.0° | 119.9° |
| N | C35 | H58 | H60 | 120.0° | 120.0° |
| N | C35 | H59 | H60 | 120.0° | 120.0° |
| C35 | N | C36 | H61 | 61.8° | 50.6° |
| C35 | N | C36 | H62 | 58.3° | 69.5° |
| C35 | N | C36 | H63 | 178.3° | 170.6° |
| C10 | C8 | C6 | H90 | 120.4° | 119.9° |
| C10 | C8 | C6 | H91 | 120.4° | 120.0° |
| C8 | C10 | C12 | H5 | 120.2° | 120.0° |
| C8 | C10 | C12 | H6 | 120.2° | 120.0° |
| C8 | C10 | C12 | C14 | 171.9° | 180.0° |
| C10 | C8 | C6 | C4 | 97.4° | 180.0° |
| C8 | C10 | H5 | H6 | 119.3° | 120.1° |
| C8 | C10 | C12 | H9 | 67.5° | 60.0° |
| C8 | C10 | C12 | H10 | 51.3° | 60.0° |
| C10 | C8 | C6 | H86 | 142.4° | 60.0° |
| C10 | C8 | C6 | H87 | 22.7° | 60.1° |
| C10 | C8 | H90 | H91 | 118.8° | 120.1° |
| C6 | C8 | C10 | C12 | 91.2° | 180.0° |
| C8 | C6 | C4 | H86 | 120.2° | 120.1° |
| C8 | C6 | C4 | H87 | 120.2° | 119.9° |
| C8 | C6 | C4 | C2 | 176.1° | 180.0° |
| C6 | C8 | C10 | H5 | 148.6° | 60.1° |
| C6 | C8 | C10 | H6 | 29.0° | 60.0° |
| C8 | C6 | C4 | H68 | 63.4° | 59.9° |
| C8 | C6 | C4 | H69 | 55.7° | 60.0° |
| C8 | C6 | H86 | H87 | 119.5° | 120.1° |
| C6 | C8 | H90 | H91 | 118.8° | 120.0° |
| C28 | C40 | O | H70 | 120.5° | 120.0° |
| C28 | C40 | O | H71 | 120.5° | 120.0° |
| C28 | C40 | O | P | 116.7° | 180.0° |
| C40 | C28 | H43 | H44 | 118.2° | 120.0° |
| C28 | C40 | H70 | H71 | 118.6° | 120.0° |
| C10 | C12 | C14 | H9 | 120.6° | 120.0° |
| C10 | C12 | C14 | H10 | 120.6° | 120.0° |
| C10 | C12 | C14 | C16 | 49.0° | 180.0° |
| C12 | C10 | H5 | H6 | 119.3° | 120.0° |
| C10 | C12 | H9 | H10 | 118.1° | 120.0° |
| C10 | C12 | C14 | H13 | 169.4° | 60.0° |
| C10 | C12 | C14 | H14 | 71.5° | 60.0° |
| C12 | C10 | C8 | H90 | 148.4° | 60.1° |
| C12 | C10 | C8 | H91 | 29.2° | 60.0° |
| C12 | C14 | C16 | H13 | 120.5° | 120.1° |
| C12 | C14 | C16 | H14 | 120.4° | 120.0° |
| C12 | C14 | C16 | C19 | 115.3° | 180.0° |
| C14 | C12 | C10 | H5 | 51.7° | 60.0° |
| C14 | C12 | C10 | H6 | 67.8° | 60.0° |
| C14 | C12 | H9 | H10 | 118.1° | 120.0° |
| C12 | C14 | H13 | H14 | 118.6° | 120.0° |
| C12 | C14 | C16 | H17 | 124.1° | 60.0° |
| C12 | C14 | C16 | H18 | 5.3° | 60.0° |
| C14 | C16 | C19 | H17 | 120.6° | 120.0° |
| C14 | C16 | C19 | H18 | 120.6° | 120.0° |
| C14 | C16 | C19 | C27 | 174.4° | 180.0° |
| C16 | C14 | C12 | H9 | 71.6° | 60.0° |
| C16 | C14 | C12 | H10 | 169.6° | 60.1° |
| C16 | C14 | H13 | H14 | 118.6° | 119.9° |
| C14 | C16 | H17 | H18 | 118.3° | 120.0° |
| C14 | C16 | C19 | H23 | 54.1° | 59.9° |
| C14 | C16 | C19 | H24 | 65.4° | 60.0° |
| C6 | C4 | C2 | H68 | 120.5° | 120.0° |
| C6 | C4 | C2 | H69 | 120.5° | 120.0° |
| C6 | C4 | C2 | C | 140.6° | 180.0° |
| C6 | C4 | C2 | H25 | 99.2° | 60.0° |
| C6 | C4 | C2 | H26 | 20.4° | 60.0° |
| C6 | C4 | H68 | H69 | 118.6° | 119.9° |
| C4 | C6 | H86 | H87 | 119.5° | 119.9° |
| C4 | C6 | C8 | H90 | 23.0° | 60.1° |
| C4 | C6 | C8 | H91 | 142.2° | 60.0° |
| C40 | O | P | O5 | 91.4° | 55.0° |
| C40 | O | P | O1 | 147.9° | 175.0° |
| C40 | O | P | O4 | 28.2° | 65.0° |
| O | C40 | C28 | H43 | 76.2° | 53.0° |
| O | C40 | C28 | H44 | 42.6° | 173.0° |
| O | C40 | H70 | H71 | 118.5° | 120.0° |
| C4 | C2 | C | H25 | 120.2° | 120.0° |
| C4 | C2 | C | H26 | 120.2° | 120.0° |
| C4 | C2 | C | C1 | 75.9° | 180.0° |
| C4 | C2 | C | H1 | 163.5° | 60.0° |
| C4 | C2 | C | H2 | 44.7° | 60.0° |
| C4 | C2 | H25 | H26 | 119.4° | 120.0° |
| C2 | C4 | H68 | H69 | 118.6° | 120.0° |
| C2 | C4 | C6 | H86 | 56.0° | 60.0° |
| C2 | C4 | C6 | H87 | 63.7° | 60.0° |
| C16 | C19 | C27 | H23 | 120.2° | 120.0° |
| C16 | C19 | C27 | H24 | 120.2° | 120.0° |
| C16 | C19 | C27 | C39 | 159.9° | 180.0° |
| C19 | C16 | C14 | H13 | 5.1° | 59.9° |
| C19 | C16 | C14 | H14 | 124.2° | 60.0° |
| C19 | C16 | H17 | H18 | 118.2° | 120.0° |
| C16 | C19 | H23 | H24 | 119.4° | 120.0° |
| C16 | C19 | C27 | H41 | 79.6° | 60.0° |
| C16 | C19 | C27 | H42 | 39.5° | 60.0° |
| O | P | O5 | O1 | 124.1° | 120.0° |
| O | P | O5 | O4 | 117.8° | 120.0° |
| O | P | O1 | O4 | 119.3° | 120.0° |
| O | P | O1 | C41 | 158.2° | 175.0° |
| P | O | C40 | H70 | 3.8° | 60.0° |
| P | O | C40 | H71 | 122.8° | 59.9° |
| O | P | O4 | H96 | 118.7° | 60.0° |
| O5 | P | O1 | O4 | 119.5° | 120.0° |
| O5 | P | O1 | C41 | 80.6° | 55.0° |
| O5 | P | O4 | H96 | 0.0° | 180.0° |
| C19 | C27 | C39 | H41 | 120.4° | 120.0° |
| C19 | C27 | C39 | H42 | 120.5° | 120.1° |
| C19 | C27 | C39 | C45 | 171.4° | 180.0° |
| C27 | C19 | C16 | H17 | 65.1° | 60.0° |
| C27 | C19 | C16 | H18 | 53.8° | 60.0° |
| C27 | C19 | H23 | H24 | 119.4° | 120.0° |
| C19 | C27 | H41 | H42 | 118.7° | 120.0° |
| C19 | C27 | C39 | H66 | 68.4° | 60.0° |
| C19 | C27 | C39 | H67 | 51.1° | 60.0° |
| C2 | C | C1 | H1 | 120.6° | 120.0° |
| C2 | C | C1 | H2 | 120.6° | 120.1° |
| C2 | C | C1 | C3 | 167.2° | 180.0° |
| C2 | C | H1 | H2 | 118.1° | 120.0° |
| C2 | C | C1 | H3 | 46.9° | 59.9° |
| C2 | C | C1 | H4 | 72.5° | 60.0° |
| C | C2 | H25 | H26 | 119.4° | 120.0° |
| C | C2 | C4 | H68 | 20.1° | 60.0° |
| C | C2 | C4 | H69 | 99.0° | 60.0° |
| C | C1 | C3 | H3 | 120.3° | 120.0° |
| C | C1 | C3 | H4 | 120.3° | 120.0° |
| C | C1 | C3 | C5 | 159.9° | 180.0° |
| C1 | C | H1 | H2 | 118.1° | 120.0° |
| C | C1 | H3 | H4 | 119.1° | 120.0° |
| C1 | C | C2 | H25 | 44.3° | 60.0° |
| C1 | C | C2 | H26 | 163.9° | 60.0° |
| C | C1 | C3 | H46 | 39.5° | 60.0° |
| C | C1 | C3 | H47 | 79.6° | 60.0° |
| C1 | C3 | C5 | H46 | 120.5° | 120.0° |
| C1 | C3 | C5 | H47 | 120.5° | 120.0° |
| C1 | C3 | C5 | C7 | 179.8° | 180.0° |
| C3 | C1 | C | H1 | 72.2° | 60.0° |
| C3 | C1 | C | H2 | 46.6° | 60.0° |
| C3 | C1 | H3 | H4 | 119.1° | 120.0° |
| C1 | C3 | H46 | H47 | 118.5° | 120.0° |
| C1 | C3 | C5 | H84 | 59.7° | 60.0° |
| C1 | C3 | C5 | H85 | 60.0° | 60.0° |
| P | O1 | C41 | C29 | 135.0° | 180.0° |
| P | O1 | C41 | H72 | 14.6° | 60.1° |
| P | O1 | C41 | H73 | 104.6° | 60.0° |
| O1 | P | O4 | H96 | 118.1° | 59.9° |
| O4 | P | O1 | C41 | 38.9° | 65.0° |
| O3 | C38 | N1 | C26 | 178.6° | 179.9° |
| O3 | C38 | N1 | C29 | 120.7° | 0.0° |
| O3 | C38 | C26 | C17 | 97.9° | 0.1° |
| O3 | C38 | C26 | H39 | 22.1° | 120.0° |
| O3 | C38 | C26 | H40 | 142.1° | 120.1° |
| O3 | C38 | N1 | H94 | 59.3° | 179.9° |
| C3 | C5 | C7 | H84 | 120.1° | 120.0° |
| C3 | C5 | C7 | H85 | 120.2° | 120.0° |
| C3 | C5 | C7 | C9 | 156.0° | 180.0° |
| C5 | C3 | C1 | H3 | 79.8° | 60.0° |
| C5 | C3 | C1 | H4 | 39.6° | 60.0° |
| C5 | C3 | H46 | H47 | 118.5° | 120.0° |
| C3 | C5 | H84 | H85 | 119.6° | 120.0° |
| C3 | C5 | C7 | H88 | 35.5° | 60.0° |
| C3 | C5 | C7 | H89 | 83.5° | 60.0° |
| C5 | C7 | C9 | H88 | 120.5° | 120.0° |
| C5 | C7 | C9 | H89 | 120.5° | 120.0° |
| C5 | C7 | C9 | C11 | 146.6° | 179.9° |
| C7 | C5 | C3 | H46 | 59.7° | 59.9° |
| C7 | C5 | C3 | H47 | 59.4° | 60.0° |
| C7 | C5 | H84 | H85 | 119.6° | 120.0° |
| C5 | C7 | H88 | H89 | 118.5° | 120.0° |
| C5 | C7 | C9 | H92 | 26.6° | 60.1° |
| C5 | C7 | C9 | H93 | 93.4° | 60.0° |
| C27 | C39 | C45 | H66 | 120.3° | 120.0° |
| C27 | C39 | C45 | H67 | 120.3° | 120.0° |
| C39 | C27 | C19 | H23 | 39.7° | 60.0° |
| C39 | C27 | C19 | H24 | 79.9° | 60.0° |
| C39 | C27 | H41 | H42 | 118.6° | 119.9° |
| C27 | C39 | H66 | H67 | 119.3° | 119.9° |
| C27 | C39 | C45 | H78 | 180.0° | 59.9° |
| C27 | C39 | C45 | H79 | 60.0° | 60.0° |
| C27 | C39 | C45 | H80 | 60.0° | 180.0° |
| O1 | C41 | C29 | N1 | 19.8° | 65.0° |
| O1 | C41 | C29 | H72 | 120.4° | 120.0° |
| O1 | C41 | C29 | H73 | 120.4° | 120.0° |
| O1 | C41 | C29 | C32 | 104.6° | 55.0° |
| O1 | C41 | C29 | H45 | 137.9° | 175.0° |
| O1 | C41 | H72 | H73 | 118.9° | 120.1° |
| C38 | N1 | C29 | H94 | 180.0° | 180.0° |
| N1 | C38 | C26 | C17 | 80.7° | 180.0° |
| C38 | N1 | C29 | C41 | 125.1° | 85.0° |
| C38 | N1 | C29 | C32 | 111.2° | 155.0° |
| N1 | C38 | C26 | H39 | 159.3° | 60.0° |
| N1 | C38 | C26 | H40 | 39.3° | 60.0° |
| C38 | N1 | C29 | H45 | 7.6° | 35.0° |
| C26 | C38 | N1 | C29 | 60.7° | 180.0° |
| C38 | C26 | C17 | H39 | 120.0° | 120.0° |
| C38 | C26 | C17 | H40 | 120.0° | 120.0° |
| C38 | C26 | C17 | C15 | 160.1° | 180.0° |
| C38 | C26 | C17 | H19 | 39.7° | 60.0° |
| C38 | C26 | C17 | H20 | 79.5° | 60.0° |
| C38 | C26 | H39 | H40 | 120.0° | 120.0° |
| C26 | C38 | N1 | H94 | 119.3° | 0.0° |
| C7 | C9 | C11 | H92 | 120.0° | 120.0° |
| C7 | C9 | C11 | H93 | 120.0° | 120.0° |
| C7 | C9 | C11 | C13 | 149.9° | 180.0° |
| C7 | C9 | C11 | H7 | 29.5° | 60.0° |
| C7 | C9 | C11 | H8 | 89.6° | 60.0° |
| C9 | C7 | C5 | H84 | 83.8° | 60.0° |
| C9 | C7 | C5 | H85 | 35.9° | 60.0° |
| C9 | C7 | H88 | H89 | 118.5° | 120.0° |
| C7 | C9 | H92 | H93 | 120.1° | 120.1° |
| N1 | C29 | C41 | C32 | 124.4° | 120.0° |
| N1 | C29 | C41 | H45 | 118.1° | 120.0° |
| N1 | C29 | C32 | H45 | 119.3° | 120.0° |
| N1 | C29 | C32 | O2 | 15.5° | 60.0° |
| N1 | C29 | C32 | C42 | 135.1° | 60.0° |
| N1 | C29 | C32 | H52 | 105.4° | 180.0° |
| N1 | C29 | C41 | H72 | 100.6° | 175.0° |
| N1 | C29 | C41 | H73 | 140.1° | 55.0° |
| C9 | C11 | C13 | H7 | 120.5° | 120.0° |
| C9 | C11 | C13 | H8 | 120.5° | 119.9° |
| C9 | C11 | C13 | C15 | 151.5° | 180.0° |
| C9 | C11 | H7 | H8 | 118.6° | 119.9° |
| C9 | C11 | C13 | H11 | 88.2° | 60.1° |
| C9 | C11 | C13 | H12 | 31.2° | 60.0° |
| C11 | C9 | C7 | H88 | 92.9° | 60.0° |
| C11 | C9 | C7 | H89 | 26.1° | 60.0° |
| C11 | C9 | H92 | H93 | 120.0° | 119.9° |
| C11 | C13 | C15 | C17 | 66.2° | 180.0° |
| C11 | C13 | C15 | H11 | 120.3° | 119.9° |
| C11 | C13 | C15 | H12 | 120.3° | 120.0° |
| C13 | C11 | H7 | H8 | 118.5° | 120.1° |
| C11 | C13 | H11 | H12 | 119.1° | 120.0° |
| C11 | C13 | C15 | H15 | 54.0° | 60.0° |
| C11 | C13 | C15 | H16 | 173.5° | 59.9° |
| C13 | C11 | C9 | H92 | 90.1° | 59.9° |
| C13 | C11 | C9 | H93 | 29.9° | 60.0° |
| C26 | C17 | C15 | H19 | 120.4° | 120.0° |
| C26 | C17 | C15 | H20 | 120.4° | 120.0° |
| C26 | C17 | C15 | C13 | 172.8° | 180.0° |
| C26 | C17 | C15 | H15 | 52.5° | 60.0° |
| C26 | C17 | C15 | H16 | 67.0° | 60.0° |
| C26 | C17 | H19 | H20 | 118.8° | 120.0° |
| C17 | C26 | H39 | H40 | 120.0° | 120.0° |
| C17 | C15 | C13 | H15 | 120.2° | 120.0° |
| C17 | C15 | C13 | H16 | 120.2° | 120.0° |
| C17 | C15 | C13 | H11 | 54.0° | 60.0° |
| C17 | C15 | C13 | H12 | 173.5° | 60.0° |
| C17 | C15 | H15 | H16 | 119.3° | 120.0° |
| C15 | C17 | H19 | H20 | 118.8° | 120.0° |
| C15 | C17 | C26 | H39 | 79.9° | 60.0° |
| C15 | C17 | C26 | H40 | 40.1° | 60.0° |
| C45 | C39 | C27 | H41 | 51.0° | 59.9° |
| C45 | C39 | C27 | H42 | 68.2° | 60.0° |
| C45 | C39 | H66 | H67 | 119.2° | 120.0° |
| C39 | C45 | H78 | H79 | 120.0° | 119.9° |
| C39 | C45 | H78 | H80 | 120.0° | 120.1° |
| C39 | C45 | H79 | H80 | 120.0° | 120.0° |
| C41 | C29 | C32 | H45 | 117.5° | 120.0° |
| C41 | C29 | C32 | O2 | 138.6° | 60.0° |
| C41 | C29 | C32 | C42 | 101.8° | 180.0° |
| C41 | C29 | C32 | H52 | 17.7° | 60.0° |
| C29 | C41 | H72 | H73 | 118.9° | 120.0° |
| C41 | C29 | N1 | H94 | 54.9° | 95.0° |
| C15 | C13 | C11 | H7 | 31.1° | 60.0° |
| C15 | C13 | C11 | H8 | 88.0° | 60.1° |
| C15 | C13 | H11 | H12 | 119.1° | 120.0° |
| C13 | C15 | H15 | H16 | 119.3° | 120.0° |
| C13 | C15 | C17 | H19 | 66.8° | 60.0° |
| C13 | C15 | C17 | H20 | 52.4° | 60.0° |
| C29 | C32 | O2 | C42 | 120.5° | 120.0° |
| C29 | C32 | O2 | H52 | 120.1° | 120.0° |
| C29 | C32 | C42 | H52 | 119.4° | 120.0° |
| C29 | C32 | C42 | C43 | 172.2° | 120.0° |
| C32 | C29 | C41 | H72 | 135.0° | 65.0° |
| C32 | C29 | C41 | H73 | 15.7° | 175.0° |
| C29 | C32 | C42 | H74 | 7.8° | 60.0° |
| C32 | C29 | N1 | H94 | 68.8° | 25.0° |
| C29 | C32 | O2 | H95 | 180.0° | 60.0° |
| O2 | C32 | C42 | H52 | 120.1° | 120.0° |
| O2 | C32 | C42 | C43 | 51.6° | 120.0° |
| O2 | C32 | C29 | H45 | 103.8° | 180.0° |
| O2 | C32 | C42 | H74 | 128.4° | 60.0° |
| C32 | C42 | C43 | H74 | 180.0° | 180.0° |
| C32 | C42 | C43 | C33 | 179.8° | 180.0° |
| C42 | C32 | C29 | H45 | 15.7° | 60.0° |
| C32 | C42 | C43 | H75 | 0.2° | 0.0° |
| C42 | C32 | O2 | H95 | 59.5° | 60.0° |
| C46 | C44 | C37 | H76 | 120.0° | 120.1° |
| C46 | C44 | C37 | H77 | 120.0° | 120.0° |
| C46 | C44 | C37 | C31 | 135.7° | 180.0° |
| C46 | C44 | C37 | H64 | 104.0° | 60.0° |
| C46 | C44 | C37 | H65 | 15.3° | 60.0° |
| C46 | C44 | H76 | H77 | 120.0° | 120.1° |
| C44 | C46 | H81 | H82 | 120.0° | 120.0° |
| C44 | C46 | H81 | H83 | 120.0° | 120.0° |
| C44 | C46 | H82 | H83 | 120.0° | 120.0° |
| C44 | C37 | C31 | H64 | 120.3° | 120.0° |
| C44 | C37 | C31 | H65 | 120.3° | 120.1° |
| C44 | C37 | C31 | C25 | 170.7° | 180.0° |
| C44 | C37 | C31 | H50 | 69.3° | 60.0° |
| C44 | C37 | C31 | H51 | 50.6° | 60.0° |
| C44 | C37 | H64 | H65 | 118.9° | 120.0° |
| C37 | C44 | H76 | H77 | 120.0° | 119.9° |
| C37 | C44 | C46 | H81 | 180.0° | 60.0° |
| C37 | C44 | C46 | H82 | 60.0° | 60.0° |
| C37 | C44 | C46 | H83 | 60.0° | 180.0° |
| C37 | C31 | C25 | C23 | 54.2° | 180.0° |
| C37 | C31 | C25 | H50 | 120.0° | 120.0° |
| C37 | C31 | C25 | H51 | 120.1° | 120.0° |
| C37 | C31 | C25 | H37 | 66.0° | 60.0° |
| C37 | C31 | C25 | H38 | 174.3° | 59.9° |
| C37 | C31 | H50 | H51 | 119.8° | 120.0° |
| C31 | C37 | H64 | H65 | 119.0° | 120.0° |
| C31 | C37 | C44 | H76 | 15.7° | 60.0° |
| C31 | C37 | C44 | H77 | 104.3° | 59.9° |
| C42 | C43 | C33 | H75 | 180.0° | 180.0° |
| C42 | C43 | C33 | C30 | 129.2° | 125.0° |
| C43 | C42 | C32 | H52 | 68.5° | 0.0° |
| C42 | C43 | C33 | H53 | 9.1° | 5.0° |
| C42 | C43 | C33 | H54 | 110.8° | 115.0° |
| C25 | C23 | C21 | H33 | 119.9° | 120.0° |
| C25 | C23 | C21 | H34 | 119.9° | 120.0° |
| C23 | C25 | C31 | H37 | 120.2° | 120.0° |
| C23 | C25 | C31 | H38 | 120.1° | 120.0° |
| C25 | C23 | C21 | C18 | 126.5° | 180.0° |
| C25 | C23 | C21 | H29 | 113.3° | 60.0° |
| C25 | C23 | C21 | H30 | 6.2° | 60.0° |
| C25 | C23 | H33 | H34 | 120.5° | 120.1° |
| C23 | C25 | H37 | H38 | 119.5° | 120.0° |
| C23 | C25 | C31 | H50 | 65.9° | 60.0° |
| C23 | C25 | C31 | H51 | 174.2° | 60.0° |
| C21 | C23 | C25 | C31 | 117.6° | 180.0° |
| C23 | C21 | C18 | H29 | 120.2° | 120.0° |
| C23 | C21 | C18 | H30 | 120.2° | 120.0° |
| C23 | C21 | C18 | C20 | 175.5° | NaN° |
| C23 | C21 | C18 | H21 | 55.1° | 60.0° |
| C23 | C21 | C18 | H22 | 64.2° | 60.0° |
| C23 | C21 | H29 | H30 | 119.3° | 120.0° |
| C21 | C23 | H33 | H34 | 120.4° | 120.0° |
| C21 | C23 | C25 | H37 | 122.3° | 60.0° |
| C21 | C23 | C25 | H38 | 2.6° | 60.0° |
| C31 | C25 | C23 | H33 | 122.6° | 60.1° |
| C31 | C25 | C23 | H34 | 2.3° | 60.0° |
| C31 | C25 | H37 | H38 | 119.6° | 120.0° |
| C25 | C31 | H50 | H51 | 119.9° | 120.0° |
| C25 | C31 | C37 | H64 | 50.3° | 60.0° |
| C25 | C31 | C37 | H65 | 69.0° | 59.9° |
| C43 | C33 | C30 | C24 | 49.1° | 180.0° |
| C43 | C33 | C30 | H53 | 120.1° | 120.0° |
| C43 | C33 | C30 | H54 | 120.0° | 120.0° |
| C43 | C33 | C30 | H48 | 71.2° | 60.0° |
| C43 | C33 | C30 | H49 | 169.5° | 60.0° |
| C43 | C33 | H53 | H54 | 119.8° | 120.0° |
| C33 | C43 | C42 | H74 | 0.2° | 0.0° |
| C21 | C18 | C20 | H21 | 120.3° | 119.9° |
| C21 | C18 | C20 | H22 | 120.4° | 120.0° |
| C21 | C18 | C20 | C22 | 75.2° | 180.0° |
| C21 | C18 | H21 | H22 | 118.9° | 120.0° |
| C21 | C18 | C20 | H27 | 164.6° | 60.0° |
| C21 | C18 | C20 | H28 | 45.1° | 60.0° |
| C18 | C21 | H29 | H30 | 119.3° | 120.0° |
| C18 | C21 | C23 | H33 | 6.6° | 60.0° |
| C18 | C21 | C23 | H34 | 113.6° | 59.9° |
| C18 | C20 | C22 | C24 | 87.5° | 180.0° |
| C18 | C20 | C22 | H27 | 120.2° | 120.0° |
| C18 | C20 | C22 | H28 | 120.2° | 120.0° |
| C20 | C18 | H21 | H22 | 119.0° | 120.0° |
| C18 | C20 | H27 | H28 | 119.2° | 120.0° |
| C20 | C18 | C21 | H29 | 64.3° | 60.0° |
| C20 | C18 | C21 | H30 | 55.2° | 60.0° |
| C18 | C20 | C22 | H31 | 32.8° | 60.0° |
| C18 | C20 | C22 | H32 | 152.2° | 60.0° |
| C22 | C24 | C30 | H35 | 120.2° | 120.0° |
| C22 | C24 | C30 | H36 | 120.1° | 120.0° |
| C24 | C22 | C20 | H31 | 120.3° | 120.0° |
| C24 | C22 | C20 | H32 | 120.3° | 120.0° |
| C22 | C24 | C30 | C33 | 154.5° | 180.0° |
| C24 | C22 | C20 | H27 | 32.7° | 60.0° |
| C24 | C22 | C20 | H28 | 152.2° | 60.0° |
| C24 | C22 | H31 | H32 | 119.1° | 119.9° |
| C22 | C24 | H35 | H36 | 119.5° | 120.0° |
| C22 | C24 | C30 | H48 | 85.1° | 60.0° |
| C22 | C24 | C30 | H49 | 34.2° | 60.0° |
| C30 | C24 | C22 | C20 | 110.5° | 180.0° |
| C24 | C30 | C33 | H48 | 120.3° | 120.0° |
| C24 | C30 | C33 | H49 | 120.4° | 120.0° |
| C30 | C24 | C22 | H31 | 129.2° | 60.0° |
| C30 | C24 | C22 | H32 | 9.8° | 60.0° |
| C30 | C24 | H35 | H36 | 119.5° | 119.9° |
| C24 | C30 | H48 | H49 | 119.0° | 119.9° |
| C24 | C30 | C33 | H53 | 70.9° | 60.0° |
| C24 | C30 | C33 | H54 | 169.1° | 60.0° |
| C22 | C20 | C18 | H21 | 45.2° | 60.0° |
| C22 | C20 | C18 | H22 | 164.5° | 60.0° |
| C22 | C20 | H27 | H28 | 119.2° | 120.0° |
| C20 | C22 | H31 | H32 | 119.1° | 120.0° |
| C20 | C22 | C24 | H35 | 129.3° | 60.0° |
| C20 | C22 | C24 | H36 | 9.7° | 60.0° |
| C33 | C30 | C24 | H35 | 34.3° | 60.0° |
| C33 | C30 | C24 | H36 | 85.3° | 60.0° |
| C33 | C30 | H48 | H49 | 119.0° | 120.0° |
| C30 | C33 | H53 | H54 | 119.9° | 120.0° |
| C30 | C33 | C43 | H75 | 50.8° | 55.0° |
| H1 | C | C1 | H3 | 167.5° | 60.0° |
| H1 | C | C1 | H4 | 48.1° | 180.0° |
| H1 | C | C2 | H25 | 76.3° | 180.0° |
| H1 | C | C2 | H26 | 43.3° | 60.0° |
| H2 | C | C1 | H3 | 73.7° | 180.0° |
| H2 | C | C1 | H4 | 166.9° | 60.1° |
| H2 | C | C2 | H25 | 164.9° | 60.0° |
| H2 | C | C2 | H26 | 75.5° | 180.0° |
| H3 | C1 | C3 | H46 | 159.7° | 180.0° |
| H3 | C1 | C3 | H47 | 40.7° | 60.0° |
| H4 | C1 | C3 | H46 | 80.8° | 60.0° |
| H4 | C1 | C3 | H47 | 160.1° | 180.0° |
| H5 | C10 | C12 | H9 | 172.3° | 60.0° |
| H5 | C10 | C12 | H10 | 68.9° | 180.0° |
| H5 | C10 | C8 | H90 | 28.2° | 180.0° |
| H5 | C10 | C8 | H91 | 91.1° | 59.9° |
| H6 | C10 | C12 | H9 | 52.8° | 180.0° |
| H6 | C10 | C12 | H10 | 171.5° | 60.0° |
| H6 | C10 | C8 | H90 | 91.4° | 59.9° |
| H6 | C10 | C8 | H91 | 149.4° | 180.0° |
| H7 | C11 | C13 | H11 | 151.4° | 59.9° |
| H7 | C11 | C13 | H12 | 89.2° | 180.0° |
| H7 | C11 | C9 | H92 | 149.5° | 180.0° |
| H7 | C11 | C9 | H93 | 90.6° | 60.0° |
| H8 | C11 | C13 | H11 | 32.3° | 180.0° |
| H8 | C11 | C13 | H12 | 151.7° | 59.9° |
| H8 | C11 | C9 | H92 | 30.4° | 60.0° |
| H8 | C11 | C9 | H93 | 150.4° | 180.0° |
| H9 | C12 | C14 | H13 | 48.8° | 180.0° |
| H9 | C12 | C14 | H14 | 167.9° | 60.0° |
| H10 | C12 | C14 | H13 | 70.0° | 60.0° |
| H10 | C12 | C14 | H14 | 49.2° | 180.0° |
| H11 | C13 | C15 | H15 | 174.3° | 179.9° |
| H11 | C13 | C15 | H16 | 66.2° | 60.0° |
| H12 | C13 | C15 | H15 | 66.3° | 60.0° |
| H12 | C13 | C15 | H16 | 53.2° | 180.0° |
| H13 | C14 | C16 | H17 | 115.4° | 180.0° |
| H13 | C14 | C16 | H18 | 125.7° | 60.1° |
| H14 | C14 | C16 | H17 | 3.7° | 60.0° |
| H14 | C14 | C16 | H18 | 115.2° | NaN° |
| H15 | C15 | C17 | H19 | 172.9° | 180.0° |
| H15 | C15 | C17 | H20 | 67.8° | 60.0° |
| H16 | C15 | C17 | H19 | 53.4° | 60.0° |
| H16 | C15 | C17 | H20 | 172.6° | 180.0° |
| H17 | C16 | C19 | H23 | 174.7° | 180.0° |
| H17 | C16 | C19 | H24 | 55.1° | 60.0° |
| H18 | C16 | C19 | H23 | 66.5° | 60.0° |
| H18 | C16 | C19 | H24 | 174.0° | 180.0° |
| H19 | C17 | C26 | H39 | 159.7° | 180.0° |
| H19 | C17 | C26 | H40 | 80.3° | 60.0° |
| H20 | C17 | C26 | H39 | 40.5° | 60.0° |
| H20 | C17 | C26 | H40 | 160.5° | 180.0° |
| H21 | C18 | C20 | H27 | 75.1° | 60.0° |
| H21 | C18 | C20 | H28 | 165.4° | 179.9° |
| H21 | C18 | C21 | H29 | 175.3° | 180.0° |
| H21 | C18 | C21 | H30 | 65.1° | 60.0° |
| H22 | C18 | C20 | H27 | 44.2° | 180.0° |
| H22 | C18 | C20 | H28 | 75.3° | 60.0° |
| H22 | C18 | C21 | H29 | 56.1° | 60.0° |
| H22 | C18 | C21 | H30 | 175.6° | 180.0° |
| H23 | C19 | C27 | H41 | 160.2° | 180.0° |
| H23 | C19 | C27 | H42 | 80.7° | 60.0° |
| H24 | C19 | C27 | H41 | 40.6° | 60.1° |
| H24 | C19 | C27 | H42 | 159.7° | 180.0° |
| H25 | C2 | C4 | H68 | 140.3° | 180.0° |
| H25 | C2 | C4 | H69 | 21.2° | 60.0° |
| H26 | C2 | C4 | H68 | 100.1° | 60.0° |
| H26 | C2 | C4 | H69 | 140.8° | 180.0° |
| H27 | C20 | C22 | H31 | 153.0° | 180.0° |
| H27 | C20 | C22 | H32 | 87.6° | 60.0° |
| H28 | C20 | C22 | H31 | 87.5° | 60.0° |
| H28 | C20 | C22 | H32 | 31.9° | 179.9° |
| H29 | C21 | C23 | H33 | 126.9° | 180.0° |
| H29 | C21 | C23 | H34 | 6.6° | 60.0° |
| H30 | C21 | C23 | H33 | 113.6° | 60.0° |
| H30 | C21 | C23 | H34 | 126.1° | 180.0° |
| H31 | C22 | C24 | H35 | 9.0° | 180.0° |
| H31 | C22 | C24 | H36 | 110.6° | 60.0° |
| H32 | C22 | C24 | H35 | 110.4° | 60.0° |
| H32 | C22 | C24 | H36 | 130.0° | 180.0° |
| H33 | C23 | C25 | H37 | 2.4° | 179.9° |
| H33 | C23 | C25 | H38 | 117.3° | 59.9° |
| H34 | C23 | C25 | H37 | 117.9° | 60.0° |
| H34 | C23 | C25 | H38 | 122.5° | 180.0° |
| H35 | C24 | C30 | H48 | 154.7° | 180.0° |
| H35 | C24 | C30 | H49 | 86.0° | 60.0° |
| H36 | C24 | C30 | H48 | 35.0° | 60.0° |
| H36 | C24 | C30 | H49 | 154.3° | 180.0° |
| H37 | C25 | C31 | H50 | 174.0° | 180.0° |
| H37 | C25 | C31 | H51 | 54.1° | 60.0° |
| H38 | C25 | C31 | H50 | 54.3° | 60.0° |
| H38 | C25 | C31 | H51 | 65.6° | 180.0° |
| H41 | C27 | C39 | H66 | 171.2° | 180.0° |
| H41 | C27 | C39 | H67 | 69.3° | 60.1° |
| H42 | C27 | C39 | H66 | 52.1° | 60.1° |
| H42 | C27 | C39 | H67 | 171.6° | 180.0° |
| H43 | C28 | C40 | H70 | 163.3° | 173.0° |
| H43 | C28 | C40 | H71 | 44.3° | 67.1° |
| H44 | C28 | C40 | H70 | 77.9° | 67.0° |
| H44 | C28 | C40 | H71 | 163.1° | 52.9° |
| H45 | C29 | C32 | H52 | 135.2° | 60.0° |
| H45 | C29 | C41 | H72 | 17.5° | 55.0° |
| H45 | C29 | C41 | H73 | 101.8° | 65.0° |
| H45 | C29 | N1 | H94 | 172.4° | 145.0° |
| H46 | C3 | C5 | H84 | 179.8° | 180.0° |
| H46 | C3 | C5 | H85 | 60.5° | 60.0° |
| H47 | C3 | C5 | H84 | 60.8° | 60.0° |
| H47 | C3 | C5 | H85 | 179.5° | 180.0° |
| H48 | C30 | C33 | H53 | 168.8° | 180.0° |
| H48 | C30 | C33 | H54 | 48.8° | 60.0° |
| H49 | C30 | C33 | H53 | 49.4° | 60.0° |
| H49 | C30 | C33 | H54 | 70.5° | 180.0° |
| H50 | C31 | C37 | H64 | 170.4° | 180.0° |
| H50 | C31 | C37 | H65 | 51.0° | 60.0° |
| H51 | C31 | C37 | H64 | 69.8° | 60.0° |
| H51 | C31 | C37 | H65 | 170.9° | 180.0° |
| H52 | C32 | C42 | H74 | 111.5° | 180.0° |
| H52 | C32 | O2 | H95 | 59.9° | 180.0° |
| H53 | C33 | C43 | H75 | 170.9° | 175.0° |
| H54 | C33 | C43 | H75 | 69.2° | 65.0° |
| H55 | C34 | H56 | H57 | 120.0° | 120.0° |
| H58 | C35 | H59 | H60 | 120.0° | 120.1° |
| H61 | C36 | H62 | H63 | 120.0° | 120.1° |
| H64 | C37 | C44 | H76 | 136.0° | 179.9° |
| H64 | C37 | C44 | H77 | 16.0° | 60.0° |
| H65 | C37 | C44 | H76 | 104.6° | 60.1° |
| H65 | C37 | C44 | H77 | 135.3° | 180.0° |
| H66 | C39 | C45 | H78 | 59.7° | 179.9° |
| H66 | C39 | C45 | H79 | 179.7° | 60.0° |
| H66 | C39 | C45 | H80 | 60.3° | 60.0° |
| H67 | C39 | C45 | H78 | 59.7° | 60.0° |
| H67 | C39 | C45 | H79 | 60.3° | 180.0° |
| H67 | C39 | C45 | H80 | 179.7° | 60.0° |
| H68 | C4 | C6 | H86 | 176.4° | 180.0° |
| H68 | C4 | C6 | H87 | 56.8° | 60.0° |
| H69 | C4 | C6 | H86 | 64.5° | 60.1° |
| H69 | C4 | C6 | H87 | 175.8° | 179.9° |
| H74 | C42 | C43 | H75 | 179.8° | 180.0° |
| H76 | C44 | C46 | H81 | 60.0° | 180.0° |
| H76 | C44 | C46 | H82 | 60.0° | 60.0° |
| H76 | C44 | C46 | H83 | 180.0° | 60.0° |
| H77 | C44 | C46 | H81 | 60.0° | 60.0° |
| H77 | C44 | C46 | H82 | 180.0° | 180.0° |
| H77 | C44 | C46 | H83 | 60.0° | 60.0° |
| H78 | C45 | H79 | H80 | 120.0° | 120.0° |
| H81 | C46 | H82 | H83 | 120.0° | 120.0° |
| H84 | C5 | C7 | H88 | 155.7° | 180.0° |
| H84 | C5 | C7 | H89 | 36.7° | 60.0° |
| H85 | C5 | C7 | H88 | 84.6° | 60.0° |
| H85 | C5 | C7 | H89 | 156.4° | 180.0° |
| H86 | C6 | C8 | H90 | 97.2° | 59.9° |
| H86 | C6 | C8 | H91 | 22.0° | 180.0° |
| H87 | C6 | C8 | H90 | 143.1° | 180.0° |
| H87 | C6 | C8 | H91 | 97.6° | 59.9° |
| H88 | C7 | C9 | H92 | 147.1° | 59.9° |
| H88 | C7 | C9 | H93 | 27.1° | 180.0° |
| H89 | C7 | C9 | H92 | 93.9° | 180.0° |
| H89 | C7 | C9 | H93 | 146.1° | 59.9° |
