PRD_000185
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.44Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C1 | C3 | sing | 1.53Å | 1.55Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.22Å | 1.23Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | O2 | doub | 1.21Å | 1.26Å | |
| C5 | O3 | sing | 1.34Å | 1.26Å | |
| O3 | H7 | sing | 0.97Å | 0.95Å | |
| N2 | C6 | sing | 1.47Å | 1.43Å | |
| N2 | H8 | sing | 0.98Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C6 | C8 | sing | 1.53Å | 1.55Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | O4 | doub | 1.22Å | 1.23Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | C11 | sing | 1.53Å | 1.54Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| N3 | C12 | sing | 1.48Å | 1.44Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | C17 | sing | 1.51Å | 1.50Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C16 | sing | 1.53Å | 1.54Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | O5 | doub | 1.21Å | 1.23Å | |
| N4 | C18 | sing | 1.48Å | 1.44Å | |
| N4 | H30 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.52Å | 1.50Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | H31 | sing | 1.08Å | 1.10Å | |
| C19 | O6 | doub | 1.21Å | 1.23Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | C22 | sing | 1.53Å | 1.55Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| N5 | C23 | sing | 1.46Å | 1.44Å | |
| N5 | H39 | sing | 1.00Å | 1.00Å | |
| C23 | C24 | sing | 1.52Å | 1.50Å | |
| C23 | C25 | sing | 1.52Å | 1.54Å | |
| C23 | H40 | sing | 1.11Å | 1.10Å | |
| C24 | O7 | doub | 1.21Å | 1.23Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | O8 | doub | 1.21Å | 1.26Å | |
| C26 | O9 | sing | 1.34Å | 1.26Å | |
| O9 | H43 | sing | 0.97Å | 0.95Å | |
| N6 | C27 | sing | 1.48Å | 1.44Å | |
| N6 | H44 | sing | 0.97Å | 1.00Å | |
| C27 | C28 | sing | 1.53Å | 1.56Å | |
| C27 | C32 | sing | 1.51Å | 1.50Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.56Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å | |
| C28 | H47 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | C31 | sing | 1.53Å | 1.54Å | |
| C29 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C30 | H51 | sing | 1.09Å | 1.10Å | |
| C31 | H52 | sing | 1.09Å | 1.10Å | |
| C31 | H53 | sing | 1.09Å | 1.10Å | |
| C31 | H54 | sing | 1.09Å | 1.10Å | |
| C32 | O10 | doub | 1.22Å | 1.23Å | |
| N7 | C33 | sing | 1.48Å | 1.44Å | |
| N7 | H55 | sing | 0.97Å | 1.00Å | |
| C33 | C34 | sing | 1.51Å | 1.50Å | |
| C33 | C35 | sing | 1.53Å | 1.56Å | |
| C33 | H56 | sing | 1.09Å | 1.10Å | |
| C34 | O11 | doub | 1.22Å | 1.23Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H58 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C36 | C38 | sing | 1.53Å | 1.54Å | |
| C36 | H59 | sing | 1.09Å | 1.10Å | |
| C37 | H60 | sing | 1.09Å | 1.10Å | |
| C37 | H61 | sing | 1.09Å | 1.10Å | |
| C37 | H62 | sing | 1.09Å | 1.10Å | |
| C38 | H63 | sing | 1.09Å | 1.10Å | |
| C38 | H64 | sing | 1.09Å | 1.10Å | |
| C38 | H65 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.51Å | 1.51Å | |
| C39 | O12 | doub | 1.21Å | 1.23Å | |
| C40 | C41 | sing | 1.53Å | 1.56Å | |
| C40 | H66 | sing | 1.09Å | 1.10Å | |
| C40 | H67 | sing | 1.09Å | 1.10Å | |
| C41 | O13 | sing | 1.44Å | 1.40Å | |
| C41 | C42 | sing | 1.54Å | 1.55Å | |
| C41 | H68 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 1.54Å | |
| C42 | H69 | sing | 1.09Å | 1.10Å | |
| C42 | H70 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.53Å | 1.54Å | |
| C43 | H71 | sing | 1.09Å | 1.10Å | |
| C43 | H72 | sing | 1.09Å | 1.10Å | |
| C44 | C45 | sing | 1.53Å | 1.54Å | |
| C44 | H73 | sing | 1.09Å | 1.10Å | |
| C44 | H74 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.53Å | 1.54Å | |
| C45 | H75 | sing | 1.09Å | 1.10Å | |
| C45 | H76 | sing | 1.09Å | 1.10Å | |
| C46 | C47 | sing | 1.53Å | 1.54Å | |
| C46 | H77 | sing | 1.09Å | 1.10Å | |
| C46 | H78 | sing | 1.09Å | 1.10Å | |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C47 | H79 | sing | 1.09Å | 1.10Å | |
| C47 | H80 | sing | 1.09Å | 1.10Å | |
| C48 | C49 | sing | 1.53Å | 1.54Å | |
| C48 | H81 | sing | 1.09Å | 1.10Å | |
| C48 | H82 | sing | 1.09Å | 1.10Å | |
| C49 | C50 | sing | 1.53Å | 1.54Å | |
| C49 | H83 | sing | 1.09Å | 1.10Å | |
| C49 | H84 | sing | 1.09Å | 1.10Å | |
| C50 | C51 | sing | 1.53Å | 1.54Å | |
| C50 | H85 | sing | 1.09Å | 1.10Å | |
| C50 | H86 | sing | 1.09Å | 1.10Å | |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| C51 | H87 | sing | 1.09Å | 1.10Å | |
| C51 | H88 | sing | 1.09Å | 1.10Å | |
| C52 | H89 | sing | 1.09Å | 1.10Å | |
| C52 | H90 | sing | 1.09Å | 1.10Å | |
| C52 | H91 | sing | 1.09Å | 1.10Å | |
| C7 | N3 | sing | 1.36Å | 1.34Å | |
| C17 | N4 | sing | 1.36Å | 1.35Å | |
| C24 | N6 | sing | 1.36Å | 1.35Å | |
| C32 | N7 | sing | 1.36Å | 1.35Å | |
| N1 | C39 | sing | 1.35Å | 1.36Å | |
| C34 | O13 | sing | 1.33Å | 1.28Å | |
| C2 | N2 | sing | 1.35Å | 1.34Å | |
| C19 | N5 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 118.4° | 119.5° |
| N1 | C1 | C2 | 103.9° | 109.0° |
| N1 | C1 | C3 | 114.7° | 108.8° |
| N1 | C1 | H2 | 109.0° | 109.2° |
| C1 | N1 | C39 | 123.2° | 120.7° |
| H1 | N1 | C39 | 118.4° | 119.8° |
| C2 | C1 | C3 | 113.1° | 109.5° |
| C2 | C1 | H2 | 108.3° | 110.1° |
| C1 | C2 | O1 | 124.0° | 119.2° |
| C1 | C2 | N2 | 113.7° | 122.0° |
| C3 | C1 | H2 | 107.7° | 110.2° |
| C1 | C3 | C4 | 115.8° | 109.5° |
| C1 | C3 | H3 | 107.9° | 109.5° |
| C1 | C3 | H4 | 107.9° | 109.4° |
| O1 | C2 | N2 | 122.3° | 118.8° |
| C4 | C3 | H3 | 107.9° | 109.5° |
| C4 | C3 | H4 | 107.9° | 109.5° |
| C3 | C4 | C5 | 108.7° | 109.5° |
| C3 | C4 | H5 | 109.7° | 109.5° |
| C3 | C4 | H6 | 109.7° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| C5 | C4 | H5 | 109.7° | 109.5° |
| C5 | C4 | H6 | 109.7° | 109.5° |
| C4 | C5 | O2 | 118.1° | 120.0° |
| C4 | C5 | O3 | 118.1° | 120.0° |
| H5 | C4 | H6 | 109.5° | 109.4° |
| O2 | C5 | O3 | 123.8° | 120.0° |
| C5 | O3 | H7 | 109.5° | 117.0° |
| C6 | N2 | H8 | 117.7° | 119.8° |
| N2 | C6 | C7 | 106.4° | 108.7° |
| N2 | C6 | C8 | 114.9° | 109.2° |
| N2 | C6 | H9 | 108.7° | 111.1° |
| C6 | N2 | C2 | 124.7° | 120.4° |
| H8 | N2 | C2 | 117.6° | 119.8° |
| C7 | C6 | C8 | 111.6° | 109.5° |
| C7 | C6 | H9 | 107.9° | 109.2° |
| C6 | C7 | O4 | 121.2° | 120.0° |
| C6 | C7 | N3 | 115.8° | 119.5° |
| C8 | C6 | H9 | 107.2° | 109.1° |
| C6 | C8 | C9 | 116.2° | 109.4° |
| C6 | C8 | H10 | 107.8° | 109.5° |
| C6 | C8 | H11 | 107.8° | 109.5° |
| O4 | C7 | N3 | 122.9° | 120.6° |
| C9 | C8 | H10 | 107.8° | 109.5° |
| C9 | C8 | H11 | 107.8° | 109.4° |
| C8 | C9 | C10 | 113.7° | 109.4° |
| C8 | C9 | C11 | 110.5° | 109.5° |
| C8 | C9 | H12 | 107.3° | 109.4° |
| H10 | C8 | H11 | 109.4° | 109.5° |
| C10 | C9 | C11 | 110.2° | 109.5° |
| C10 | C9 | H12 | 107.4° | 109.5° |
| C9 | C10 | H13 | 109.5° | 109.5° |
| C9 | C10 | H14 | 109.5° | 109.4° |
| C9 | C10 | H15 | 109.4° | 109.5° |
| C11 | C9 | H12 | 107.4° | 109.5° |
| C9 | C11 | H16 | 109.5° | 109.5° |
| C9 | C11 | H17 | 109.5° | 109.5° |
| C9 | C11 | H18 | 109.5° | 109.4° |
| H13 | C10 | H14 | 109.4° | 109.5° |
| H13 | C10 | H15 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.4° | 109.5° |
| H16 | C11 | H18 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| C12 | N3 | H19 | 118.6° | 121.0° |
| N3 | C12 | C13 | 113.1° | 109.6° |
| N3 | C12 | C17 | 104.9° | 108.1° |
| N3 | C12 | H20 | 110.7° | 109.8° |
| C12 | N3 | C7 | 122.9° | 116.2° |
| H19 | N3 | C7 | 118.5° | 122.8° |
| C13 | C12 | C17 | 109.2° | 109.7° |
| C13 | C12 | H20 | 109.2° | 109.9° |
| C12 | C13 | C14 | 114.4° | 109.5° |
| C12 | C13 | H21 | 108.2° | 109.5° |
| C12 | C13 | H22 | 108.2° | 109.4° |
| C17 | C12 | H20 | 109.8° | 109.7° |
| C12 | C17 | O5 | 120.9° | 120.2° |
| C12 | C17 | N4 | 116.7° | 119.2° |
| C14 | C13 | H21 | 108.2° | 109.5° |
| C14 | C13 | H22 | 108.2° | 109.4° |
| C13 | C14 | C15 | 112.8° | 109.4° |
| C13 | C14 | C16 | 110.9° | 109.5° |
| C13 | C14 | H23 | 107.2° | 109.5° |
| H21 | C13 | H22 | 109.4° | 109.5° |
| C15 | C14 | C16 | 110.9° | 109.5° |
| C15 | C14 | H23 | 107.3° | 109.5° |
| C14 | C15 | H24 | 109.5° | 109.5° |
| C14 | C15 | H25 | 109.5° | 109.4° |
| C14 | C15 | H26 | 109.5° | 109.5° |
| C16 | C14 | H23 | 107.3° | 109.5° |
| C14 | C16 | H27 | 109.5° | 109.5° |
| C14 | C16 | H28 | 109.5° | 109.5° |
| C14 | C16 | H29 | 109.5° | 109.4° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| H24 | C15 | H26 | 109.5° | 109.5° |
| H25 | C15 | H26 | 109.5° | 109.5° |
| H27 | C16 | H28 | 109.4° | 109.5° |
| H27 | C16 | H29 | 109.5° | 109.5° |
| H28 | C16 | H29 | 109.5° | 109.5° |
| O5 | C17 | N4 | 122.4° | 120.6° |
| C18 | N4 | H30 | 118.5° | 121.2° |
| N4 | C18 | C19 | 107.2° | 108.3° |
| N4 | C18 | C20 | 112.0° | 109.9° |
| N4 | C18 | H31 | 109.0° | 110.6° |
| C18 | N4 | C17 | 123.0° | 117.0° |
| H30 | N4 | C17 | 118.5° | 121.8° |
| C19 | C18 | C20 | 112.5° | 108.7° |
| C19 | C18 | H31 | 108.2° | 108.9° |
| C18 | C19 | O6 | 121.0° | 116.5° |
| C18 | C19 | N5 | 116.9° | 116.8° |
| C20 | C18 | H31 | 107.8° | 110.4° |
| C18 | C20 | C21 | 110.9° | 109.4° |
| C18 | C20 | C22 | 108.6° | 109.4° |
| C18 | C20 | H32 | 108.8° | 109.5° |
| O6 | C19 | N5 | 122.2° | 126.7° |
| C21 | C20 | C22 | 111.2° | 109.5° |
| C21 | C20 | H32 | 108.6° | 109.5° |
| C20 | C21 | H33 | 109.5° | 109.5° |
| C20 | C21 | H34 | 109.5° | 109.4° |
| C20 | C21 | H35 | 109.5° | 109.4° |
| C22 | C20 | H32 | 108.6° | 109.5° |
| C20 | C22 | H36 | 109.5° | 109.5° |
| C20 | C22 | H37 | 109.4° | 109.5° |
| C20 | C22 | H38 | 109.5° | 109.5° |
| H33 | C21 | H34 | 109.5° | 109.5° |
| H33 | C21 | H35 | 109.4° | 109.5° |
| H34 | C21 | H35 | 109.5° | 109.5° |
| H36 | C22 | H37 | 109.4° | 109.5° |
| H36 | C22 | H38 | 109.5° | 109.4° |
| H37 | C22 | H38 | 109.5° | 109.4° |
| C23 | N5 | H39 | 119.2° | 117.8° |
| N5 | C23 | C24 | 109.4° | 108.5° |
| N5 | C23 | C25 | 111.0° | 114.8° |
| N5 | C23 | H40 | 110.0° | 108.7° |
| C23 | N5 | C19 | 121.6° | 125.4° |
| H39 | N5 | C19 | 119.2° | 116.8° |
| C24 | C23 | C25 | 108.6° | 109.1° |
| C24 | C23 | H40 | 109.2° | 107.7° |
| C23 | C24 | O7 | 120.8° | 119.3° |
| C23 | C24 | N6 | 117.0° | 118.6° |
| C25 | C23 | H40 | 108.6° | 107.9° |
| C23 | C25 | C26 | 110.1° | 109.5° |
| C23 | C25 | H41 | 109.3° | 109.4° |
| C23 | C25 | H42 | 109.3° | 109.4° |
| O7 | C24 | N6 | 122.2° | 122.1° |
| C26 | C25 | H41 | 109.3° | 109.5° |
| C26 | C25 | H42 | 109.3° | 109.5° |
| C25 | C26 | O8 | 118.5° | 120.0° |
| C25 | C26 | O9 | 117.8° | 120.0° |
| H41 | C25 | H42 | 109.5° | 109.5° |
| O8 | C26 | O9 | 123.7° | 120.0° |
| C26 | O9 | H43 | 109.5° | 117.0° |
| C27 | N6 | H44 | 118.9° | 120.9° |
| N6 | C27 | C28 | 115.7° | 109.5° |
| N6 | C27 | C32 | 103.2° | 109.2° |
| N6 | C27 | H45 | 110.2° | 108.7° |
| C27 | N6 | C24 | 122.2° | 118.5° |
| H44 | N6 | C24 | 118.9° | 120.6° |
| C28 | C27 | C32 | 109.6° | 111.2° |
| C28 | C27 | H45 | 108.6° | 109.4° |
| C27 | C28 | C29 | 117.1° | 109.4° |
| C27 | C28 | H46 | 107.5° | 109.5° |
| C27 | C28 | H47 | 107.5° | 109.5° |
| C32 | C27 | H45 | 109.4° | 108.9° |
| C27 | C32 | O10 | 121.4° | 118.5° |
| C27 | C32 | N7 | 116.0° | 120.8° |
| C29 | C28 | H46 | 107.6° | 109.4° |
| C29 | C28 | H47 | 107.6° | 109.5° |
| C28 | C29 | C30 | 115.0° | 109.5° |
| C28 | C29 | C31 | 112.5° | 109.4° |
| C28 | C29 | H48 | 105.7° | 109.4° |
| H46 | C28 | H47 | 109.4° | 109.5° |
| C30 | C29 | C31 | 111.2° | 109.5° |
| C30 | C29 | H48 | 105.8° | 109.5° |
| C29 | C30 | H49 | 109.5° | 109.5° |
| C29 | C30 | H50 | 109.4° | 109.5° |
| C29 | C30 | H51 | 109.4° | 109.5° |
| C31 | C29 | H48 | 105.8° | 109.5° |
| C29 | C31 | H52 | 109.5° | 109.4° |
| C29 | C31 | H53 | 109.5° | 109.5° |
| C29 | C31 | H54 | 109.5° | 109.5° |
| H49 | C30 | H50 | 109.5° | 109.5° |
| H49 | C30 | H51 | 109.5° | 109.4° |
| H50 | C30 | H51 | 109.5° | 109.4° |
| H52 | C31 | H53 | 109.5° | 109.4° |
| H52 | C31 | H54 | 109.5° | 109.5° |
| H53 | C31 | H54 | 109.5° | 109.5° |
| O10 | C32 | N7 | 122.6° | 120.6° |
| C33 | N7 | H55 | 117.9° | 119.9° |
| N7 | C33 | C34 | 104.9° | 107.7° |
| N7 | C33 | C35 | 114.5° | 109.5° |
| N7 | C33 | H56 | 109.6° | 109.8° |
| C33 | N7 | C32 | 124.2° | 117.0° |
| H55 | N7 | C32 | 117.9° | 123.1° |
| C34 | C33 | C35 | 110.8° | 109.3° |
| C34 | C33 | H56 | 108.8° | 110.4° |
| C33 | C34 | O11 | 120.4° | 118.4° |
| C33 | C34 | O13 | 114.1° | 123.1° |
| C35 | C33 | H56 | 108.1° | 110.1° |
| C33 | C35 | C36 | 117.9° | 109.5° |
| C33 | C35 | H57 | 107.4° | 109.5° |
| C33 | C35 | H58 | 107.4° | 109.5° |
| O11 | C34 | O13 | 125.4° | 118.6° |
| C36 | C35 | H57 | 107.3° | 109.5° |
| C36 | C35 | H58 | 107.3° | 109.4° |
| C35 | C36 | C37 | 110.1° | 109.5° |
| C35 | C36 | C38 | 114.5° | 109.5° |
| C35 | C36 | H59 | 107.5° | 109.5° |
| H57 | C35 | H58 | 109.4° | 109.5° |
| C37 | C36 | C38 | 109.3° | 109.5° |
| C37 | C36 | H59 | 107.6° | 109.5° |
| C36 | C37 | H60 | 109.5° | 109.5° |
| C36 | C37 | H61 | 109.4° | 109.5° |
| C36 | C37 | H62 | 109.4° | 109.5° |
| C38 | C36 | H59 | 107.6° | 109.4° |
| C36 | C38 | H63 | 109.5° | 109.5° |
| C36 | C38 | H64 | 109.5° | 109.5° |
| C36 | C38 | H65 | 109.5° | 109.4° |
| H60 | C37 | H61 | 109.5° | 109.5° |
| H60 | C37 | H62 | 109.5° | 109.4° |
| H61 | C37 | H62 | 109.5° | 109.5° |
| H63 | C38 | H64 | 109.5° | 109.5° |
| H63 | C38 | H65 | 109.4° | 109.5° |
| H64 | C38 | H65 | 109.5° | 109.4° |
| C40 | C39 | O12 | 119.4° | 120.4° |
| C39 | C40 | C41 | 115.5° | 110.5° |
| C39 | C40 | H66 | 108.0° | 109.7° |
| C39 | C40 | H67 | 108.0° | 109.4° |
| C40 | C39 | N1 | 119.6° | 119.2° |
| O12 | C39 | N1 | 121.0° | 120.4° |
| C41 | C40 | H66 | 108.0° | 109.1° |
| C41 | C40 | H67 | 108.0° | 109.3° |
| C40 | C41 | O13 | 111.5° | 109.9° |
| C40 | C41 | C42 | 108.0° | 108.6° |
| C40 | C41 | H68 | 108.5° | 109.5° |
| H66 | C40 | H67 | 109.4° | 108.8° |
| O13 | C41 | C42 | 109.5° | 109.6° |
| O13 | C41 | H68 | 110.7° | 110.6° |
| C41 | O13 | C34 | 162.0° | 121.9° |
| C42 | C41 | H68 | 108.6° | 108.6° |
| C41 | C42 | C43 | 113.7° | 109.5° |
| C41 | C42 | H69 | 108.4° | 109.5° |
| C41 | C42 | H70 | 108.4° | 109.5° |
| C43 | C42 | H69 | 108.4° | 109.4° |
| C43 | C42 | H70 | 108.4° | 109.4° |
| C42 | C43 | C44 | 113.1° | 109.4° |
| C42 | C43 | H71 | 108.5° | 109.4° |
| C42 | C43 | H72 | 108.6° | 109.4° |
| H69 | C42 | H70 | 109.5° | 109.5° |
| C44 | C43 | H71 | 108.5° | 109.5° |
| C44 | C43 | H72 | 108.6° | 109.5° |
| C43 | C44 | C45 | 114.4° | 109.4° |
| C43 | C44 | H73 | 108.2° | 109.4° |
| C43 | C44 | H74 | 108.2° | 109.5° |
| H71 | C43 | H72 | 109.5° | 109.5° |
| C45 | C44 | H73 | 108.2° | 109.5° |
| C45 | C44 | H74 | 108.2° | 109.5° |
| C44 | C45 | C46 | 115.2° | 109.5° |
| C44 | C45 | H75 | 108.0° | 109.5° |
| C44 | C45 | H76 | 108.0° | 109.5° |
| H73 | C44 | H74 | 109.5° | 109.5° |
| C46 | C45 | H75 | 108.0° | 109.5° |
| C46 | C45 | H76 | 108.0° | 109.5° |
| C45 | C46 | C47 | 114.0° | 109.5° |
| C45 | C46 | H77 | 108.3° | 109.5° |
| C45 | C46 | H78 | 108.4° | 109.5° |
| H75 | C45 | H76 | 109.4° | 109.4° |
| C47 | C46 | H77 | 108.3° | 109.4° |
| C47 | C46 | H78 | 108.3° | 109.4° |
| C46 | C47 | C48 | 113.2° | 109.5° |
| C46 | C47 | H79 | 108.5° | 109.5° |
| C46 | C47 | H80 | 108.5° | 109.5° |
| H77 | C46 | H78 | 109.4° | 109.5° |
| C48 | C47 | H79 | 108.5° | 109.4° |
| C48 | C47 | H80 | 108.5° | 109.4° |
| C47 | C48 | C49 | 112.5° | 109.5° |
| C47 | C48 | H81 | 108.7° | 109.5° |
| C47 | C48 | H82 | 108.7° | 109.5° |
| H79 | C47 | H80 | 109.5° | 109.5° |
| C49 | C48 | H81 | 108.7° | 109.5° |
| C49 | C48 | H82 | 108.7° | 109.4° |
| C48 | C49 | C50 | 113.3° | 109.5° |
| C48 | C49 | H83 | 108.5° | 109.5° |
| C48 | C49 | H84 | 108.5° | 109.5° |
| H81 | C48 | H82 | 109.5° | 109.5° |
| C50 | C49 | H83 | 108.5° | 109.5° |
| C50 | C49 | H84 | 108.5° | 109.5° |
| C49 | C50 | C51 | 113.0° | 109.5° |
| C49 | C50 | H85 | 108.6° | 109.4° |
| C49 | C50 | H86 | 108.6° | 109.4° |
| H83 | C49 | H84 | 109.5° | 109.4° |
| C51 | C50 | H85 | 108.6° | 109.5° |
| C51 | C50 | H86 | 108.6° | 109.5° |
| C50 | C51 | C52 | 113.8° | 109.5° |
| C50 | C51 | H87 | 108.4° | 109.5° |
| C50 | C51 | H88 | 108.4° | 109.5° |
| H85 | C50 | H86 | 109.5° | 109.5° |
| C52 | C51 | H87 | 108.4° | 109.5° |
| C52 | C51 | H88 | 108.4° | 109.5° |
| C51 | C52 | H89 | 109.5° | 109.5° |
| C51 | C52 | H90 | 109.5° | 109.5° |
| C51 | C52 | H91 | 109.5° | 109.5° |
| H87 | C51 | H88 | 109.4° | 109.4° |
| H89 | C52 | H90 | 109.5° | 109.5° |
| H89 | C52 | H91 | 109.5° | 109.4° |
| H90 | C52 | H91 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C39 | 180.0° | 179.7° |
| N1 | C1 | C2 | C3 | 125.0° | 118.9° |
| N1 | C1 | C2 | H2 | 115.8° | 119.8° |
| N1 | C1 | C3 | H2 | 121.5° | 119.7° |
| N1 | C1 | C2 | O1 | 112.7° | 27.4° |
| N1 | C1 | C3 | C4 | 41.7° | 67.2° |
| N1 | C1 | C3 | H3 | 162.6° | 52.9° |
| N1 | C1 | C3 | H4 | 79.2° | 172.9° |
| C1 | N1 | C39 | C40 | 173.7° | 178.9° |
| C1 | N1 | C39 | O12 | 4.5° | 0.9° |
| N1 | C1 | C2 | N2 | 66.8° | 152.8° |
| H1 | N1 | C1 | C2 | 79.7° | 23.1° |
| H1 | N1 | C1 | C3 | 44.2° | 96.3° |
| H1 | N1 | C1 | H2 | 165.0° | 143.5° |
| H1 | N1 | C39 | C40 | 6.3° | 0.8° |
| H1 | N1 | C39 | O12 | 175.5° | 179.3° |
| C2 | C1 | C3 | H2 | 119.6° | 121.2° |
| C1 | C2 | O1 | N2 | 179.5° | 179.8° |
| C2 | C1 | C3 | C4 | 77.2° | 173.7° |
| C2 | C1 | C3 | H3 | 43.7° | 66.2° |
| C2 | C1 | C3 | H4 | 161.8° | 53.8° |
| C1 | C2 | N2 | C6 | 179.5° | 1.0° |
| C1 | C2 | N2 | H8 | 0.5° | 178.8° |
| C2 | C1 | N1 | C39 | 100.3° | 157.2° |
| C3 | C1 | C2 | O1 | 12.2° | 91.5° |
| C1 | C3 | C4 | H3 | 120.9° | 120.0° |
| C1 | C3 | C4 | H4 | 120.9° | 119.9° |
| C1 | C3 | H3 | H4 | 117.1° | 119.9° |
| C1 | C3 | C4 | C5 | 177.2° | 180.0° |
| C1 | C3 | C4 | H5 | 57.3° | 59.9° |
| C1 | C3 | C4 | H6 | 62.9° | 60.0° |
| C3 | C1 | N1 | C39 | 135.8° | 83.5° |
| C3 | C1 | C2 | N2 | 168.2° | 88.3° |
| H2 | C1 | C2 | O1 | 131.5° | 147.2° |
| H2 | C1 | C3 | C4 | 163.2° | 52.5° |
| H2 | C1 | C3 | H3 | 75.9° | 172.6° |
| H2 | C1 | C3 | H4 | 42.3° | 67.5° |
| H2 | C1 | N1 | C39 | 15.0° | 36.8° |
| H2 | C1 | C2 | N2 | 49.0° | 33.0° |
| O1 | C2 | N2 | C6 | 1.0° | 178.8° |
| O1 | C2 | N2 | H8 | 179.0° | 1.4° |
| C4 | C3 | H3 | H4 | 117.1° | 120.0° |
| C3 | C4 | C5 | H5 | 119.9° | 120.0° |
| C3 | C4 | C5 | H6 | 119.9° | 120.0° |
| C3 | C4 | H5 | H6 | 120.4° | 120.0° |
| C3 | C4 | C5 | O2 | 62.7° | 0.0° |
| C3 | C4 | C5 | O3 | 117.0° | 180.0° |
| H3 | C3 | C4 | C5 | 61.9° | 60.0° |
| H3 | C3 | C4 | H5 | 178.3° | 180.0° |
| H3 | C3 | C4 | H6 | 58.0° | 60.0° |
| H4 | C3 | C4 | C5 | 56.3° | 60.0° |
| H4 | C3 | C4 | H5 | 63.6° | 60.0° |
| H4 | C3 | C4 | H6 | 176.2° | 179.9° |
| C5 | C4 | H5 | H6 | 120.4° | 120.0° |
| C4 | C5 | O2 | O3 | 179.7° | 180.0° |
| C4 | C5 | O3 | H7 | 179.7° | 180.0° |
| H5 | C4 | C5 | O2 | 177.5° | 120.0° |
| H5 | C4 | C5 | O3 | 2.9° | 60.0° |
| H6 | C4 | C5 | O2 | 57.2° | 120.0° |
| H6 | C4 | C5 | O3 | 123.1° | 60.0° |
| O2 | C5 | O3 | H7 | 0.0° | 0.0° |
| C6 | N2 | H8 | C2 | 180.0° | 179.8° |
| N2 | C6 | C7 | C8 | 126.0° | 119.2° |
| N2 | C6 | C7 | H9 | 116.5° | 121.3° |
| N2 | C6 | C8 | H9 | 120.9° | 121.6° |
| N2 | C6 | C7 | O4 | 36.1° | 13.5° |
| N2 | C6 | C8 | C9 | 14.4° | 70.9° |
| N2 | C6 | C8 | H10 | 135.4° | 49.1° |
| N2 | C6 | C8 | H11 | 106.6° | 169.1° |
| N2 | C6 | C7 | N3 | 139.7° | 166.8° |
| H8 | N2 | C6 | C7 | 103.7° | 57.2° |
| H8 | N2 | C6 | C8 | 20.3° | 62.2° |
| H8 | N2 | C6 | H9 | 140.4° | 177.4° |
| C7 | C6 | C8 | H9 | 117.9° | 119.6° |
| C6 | C7 | O4 | N3 | 175.5° | 179.7° |
| C7 | C6 | C8 | C9 | 106.7° | 170.2° |
| C7 | C6 | C8 | H10 | 14.3° | 69.7° |
| C7 | C6 | C8 | H11 | 132.3° | 50.3° |
| C6 | C7 | N3 | C12 | 166.5° | 179.4° |
| C6 | C7 | N3 | H19 | 13.6° | 1.3° |
| C7 | C6 | N2 | C2 | 76.3° | 122.6° |
| C8 | C6 | C7 | O4 | 89.9° | 132.6° |
| C6 | C8 | C9 | H10 | 121.0° | 120.0° |
| C6 | C8 | C9 | H11 | 121.0° | 120.0° |
| C6 | C8 | H10 | H11 | 116.9° | 120.0° |
| C6 | C8 | C9 | C10 | 70.1° | 168.1° |
| C6 | C8 | C9 | C11 | 165.3° | 71.9° |
| C6 | C8 | C9 | H12 | 48.5° | 48.1° |
| C8 | C6 | C7 | N3 | 94.3° | 47.6° |
| C8 | C6 | N2 | C2 | 159.7° | 118.0° |
| H9 | C6 | C7 | O4 | 152.6° | 107.9° |
| H9 | C6 | C8 | C9 | 135.4° | 50.7° |
| H9 | C6 | C8 | H10 | 103.6° | 170.7° |
| H9 | C6 | C8 | H11 | 14.4° | 69.3° |
| H9 | C6 | C7 | N3 | 23.2° | 71.9° |
| H9 | C6 | N2 | C2 | 39.6° | 2.4° |
| O4 | C7 | N3 | C12 | 9.2° | 0.8° |
| O4 | C7 | N3 | H19 | 170.7° | 178.4° |
| C9 | C8 | H10 | H11 | 116.9° | 120.0° |
| C8 | C9 | C10 | C11 | 124.7° | 120.0° |
| C8 | C9 | C10 | H12 | 118.5° | 119.9° |
| C8 | C9 | C11 | H12 | 116.8° | 120.0° |
| C8 | C9 | C10 | H13 | 180.0° | 60.1° |
| C8 | C9 | C10 | H14 | 60.0° | 180.0° |
| C8 | C9 | C10 | H15 | 60.0° | 60.0° |
| C8 | C9 | C11 | H16 | 180.0° | 68.5° |
| C8 | C9 | C11 | H17 | 60.0° | 51.6° |
| C8 | C9 | C11 | H18 | 60.0° | 171.6° |
| H10 | C8 | C9 | C10 | 50.9° | 48.1° |
| H10 | C8 | C9 | C11 | 73.7° | 168.1° |
| H10 | C8 | C9 | H12 | 169.5° | 71.9° |
| H11 | C8 | C9 | C10 | 168.9° | 71.9° |
| H11 | C8 | C9 | C11 | 44.3° | 48.1° |
| H11 | C8 | C9 | H12 | 72.5° | 168.1° |
| C10 | C9 | C11 | H12 | 116.7° | 120.1° |
| C9 | C10 | H13 | H14 | 120.0° | 119.9° |
| C9 | C10 | H13 | H15 | 120.0° | 120.0° |
| C9 | C10 | H14 | H15 | 120.0° | 120.0° |
| C10 | C9 | C11 | H16 | 53.5° | 51.5° |
| C10 | C9 | C11 | H17 | 66.5° | 171.6° |
| C10 | C9 | C11 | H18 | 173.5° | 68.4° |
| C11 | C9 | C10 | H13 | 55.3° | 59.9° |
| C11 | C9 | C10 | H14 | 175.3° | 60.0° |
| C11 | C9 | C10 | H15 | 64.7° | 180.0° |
| C9 | C11 | H16 | H17 | 120.0° | 120.0° |
| C9 | C11 | H16 | H18 | 120.0° | 119.9° |
| C9 | C11 | H17 | H18 | 120.0° | 120.0° |
| H12 | C9 | C10 | H13 | 61.5° | 180.0° |
| H12 | C9 | C10 | H14 | 58.5° | 60.0° |
| H12 | C9 | C10 | H15 | 178.5° | 59.9° |
| H12 | C9 | C11 | H16 | 63.3° | 171.6° |
| H12 | C9 | C11 | H17 | 176.8° | 68.4° |
| H12 | C9 | C11 | H18 | 56.8° | 51.6° |
| H13 | C10 | H14 | H15 | 120.0° | 120.0° |
| H16 | C11 | H17 | H18 | 120.0° | 120.0° |
| C12 | N3 | H19 | C7 | 180.0° | 179.2° |
| N3 | C12 | C13 | C17 | 116.3° | 118.5° |
| N3 | C12 | C13 | H20 | 123.7° | 120.8° |
| N3 | C12 | C17 | H20 | 118.9° | 119.7° |
| N3 | C12 | C13 | C14 | 59.9° | 63.8° |
| N3 | C12 | C13 | H21 | 179.3° | 176.2° |
| N3 | C12 | C13 | H22 | 60.8° | 56.1° |
| N3 | C12 | C17 | O5 | 132.2° | 36.4° |
| N3 | C12 | C17 | N4 | 47.7° | 143.5° |
| H19 | N3 | C12 | C13 | 49.0° | 65.6° |
| H19 | N3 | C12 | C17 | 69.9° | 53.9° |
| H19 | N3 | C12 | H20 | 171.8° | 173.5° |
| C13 | C12 | C17 | H20 | 119.6° | 120.8° |
| C12 | C13 | C14 | H21 | 120.8° | 120.0° |
| C12 | C13 | C14 | H22 | 120.8° | 119.9° |
| C12 | C13 | H21 | H22 | 117.7° | 120.0° |
| C12 | C13 | C14 | C15 | 59.8° | 65.8° |
| C12 | C13 | C14 | C16 | 175.0° | 174.3° |
| C12 | C13 | C14 | H23 | 58.1° | 54.2° |
| C13 | C12 | C17 | O5 | 10.8° | 83.1° |
| C13 | C12 | N3 | C7 | 131.0° | 115.2° |
| C13 | C12 | C17 | N4 | 169.2° | 97.0° |
| C17 | C12 | C13 | C14 | 176.2° | 177.7° |
| C17 | C12 | C13 | H21 | 63.0° | 57.7° |
| C17 | C12 | C13 | H22 | 55.5° | 62.4° |
| C12 | C17 | O5 | N4 | 179.9° | 179.8° |
| C12 | C17 | N4 | C18 | 177.0° | 178.2° |
| C12 | C17 | N4 | H30 | 2.9° | 1.9° |
| C17 | C12 | N3 | C7 | 110.1° | 125.3° |
| H20 | C12 | C13 | C14 | 63.7° | 57.0° |
| H20 | C12 | C13 | H21 | 57.0° | 63.0° |
| H20 | C12 | C13 | H22 | 175.5° | 177.0° |
| H20 | C12 | C17 | O5 | 108.9° | 156.1° |
| H20 | C12 | N3 | C7 | 8.2° | 5.7° |
| H20 | C12 | C17 | N4 | 71.2° | 23.8° |
| C14 | C13 | H21 | H22 | 117.7° | 120.0° |
| C13 | C14 | C15 | C16 | 125.2° | 119.9° |
| C13 | C14 | C15 | H23 | 117.9° | 120.0° |
| C13 | C14 | C16 | H23 | 116.9° | 120.0° |
| C13 | C14 | C15 | H24 | 180.0° | 60.0° |
| C13 | C14 | C15 | H25 | 60.0° | 180.0° |
| C13 | C14 | C15 | H26 | 60.0° | 60.0° |
| C13 | C14 | C16 | H27 | 180.0° | 55.0° |
| C13 | C14 | C16 | H28 | 60.0° | 65.0° |
| C13 | C14 | C16 | H29 | 60.0° | 175.0° |
| H21 | C13 | C14 | C15 | 60.9° | 54.2° |
| H21 | C13 | C14 | C16 | 64.2° | 65.7° |
| H21 | C13 | C14 | H23 | 178.9° | 174.3° |
| H22 | C13 | C14 | C15 | 179.4° | 174.3° |
| H22 | C13 | C14 | C16 | 54.3° | 54.3° |
| H22 | C13 | C14 | H23 | 62.6° | 65.7° |
| C15 | C14 | C16 | H23 | 116.9° | 120.0° |
| C14 | C15 | H24 | H25 | 120.0° | 119.9° |
| C14 | C15 | H24 | H26 | 120.0° | 120.0° |
| C14 | C15 | H25 | H26 | 120.0° | 120.0° |
| C15 | C14 | C16 | H27 | 53.7° | 64.9° |
| C15 | C14 | C16 | H28 | 66.2° | 175.0° |
| C15 | C14 | C16 | H29 | 173.8° | 55.1° |
| C16 | C14 | C15 | H24 | 54.8° | 59.9° |
| C16 | C14 | C15 | H25 | 174.8° | 60.0° |
| C16 | C14 | C15 | H26 | 65.2° | 180.0° |
| C14 | C16 | H27 | H28 | 120.0° | 120.0° |
| C14 | C16 | H27 | H29 | 120.0° | 120.0° |
| C14 | C16 | H28 | H29 | 120.0° | 120.0° |
| H23 | C14 | C15 | H24 | 62.1° | 180.0° |
| H23 | C14 | C15 | H25 | 57.9° | 60.0° |
| H23 | C14 | C15 | H26 | 177.9° | 60.0° |
| H23 | C14 | C16 | H27 | 63.2° | 175.0° |
| H23 | C14 | C16 | H28 | 176.9° | 55.0° |
| H23 | C14 | C16 | H29 | 56.9° | 65.0° |
| H24 | C15 | H25 | H26 | 120.0° | 120.1° |
| H27 | C16 | H28 | H29 | 120.0° | 120.0° |
| O5 | C17 | N4 | C18 | 3.0° | 1.6° |
| O5 | C17 | N4 | H30 | 177.0° | 178.2° |
| C18 | N4 | H30 | C17 | 180.0° | 179.8° |
| N4 | C18 | C19 | C20 | 123.6° | 119.4° |
| N4 | C18 | C19 | H31 | 117.4° | 120.3° |
| N4 | C18 | C20 | H31 | 119.9° | 122.2° |
| N4 | C18 | C19 | O6 | 110.0° | 39.0° |
| N4 | C18 | C20 | C21 | 178.3° | 180.0° |
| N4 | C18 | C20 | C22 | 55.9° | 60.0° |
| N4 | C18 | C20 | H32 | 62.2° | 60.0° |
| N4 | C18 | C19 | N5 | 70.4° | 140.7° |
| H30 | N4 | C18 | C19 | 90.0° | 43.3° |
| H30 | N4 | C18 | C20 | 33.9° | 75.3° |
| H30 | N4 | C18 | H31 | 153.1° | 162.5° |
| C19 | C18 | C20 | H31 | 119.2° | 119.4° |
| C18 | C19 | O6 | N5 | 179.6° | 179.7° |
| C19 | C18 | C20 | C21 | 60.8° | 61.7° |
| C19 | C18 | C20 | C22 | 176.8° | 178.4° |
| C19 | C18 | C20 | H32 | 58.7° | 58.4° |
| C18 | C19 | N5 | C23 | 168.1° | 178.3° |
| C18 | C19 | N5 | H39 | 11.9° | 2.0° |
| C19 | C18 | N4 | C17 | 90.0° | 136.9° |
| C20 | C18 | C19 | O6 | 126.4° | 80.4° |
| C18 | C20 | C21 | C22 | 120.9° | 119.9° |
| C18 | C20 | C21 | H32 | 119.6° | 120.1° |
| C18 | C20 | C22 | H32 | 118.2° | 120.0° |
| C18 | C20 | C21 | H33 | 180.0° | 59.9° |
| C18 | C20 | C21 | H34 | 60.0° | 180.0° |
| C18 | C20 | C21 | H35 | 60.0° | 60.0° |
| C18 | C20 | C22 | H36 | 180.0° | 60.0° |
| C18 | C20 | C22 | H37 | 60.0° | 60.0° |
| C18 | C20 | C22 | H38 | 60.0° | 180.0° |
| C20 | C18 | N4 | C17 | 146.1° | 104.5° |
| C20 | C18 | C19 | N5 | 53.3° | 99.9° |
| H31 | C18 | C19 | O6 | 7.4° | 159.3° |
| H31 | C18 | C20 | C21 | 58.4° | 57.7° |
| H31 | C18 | C20 | C22 | 64.0° | 62.2° |
| H31 | C18 | C20 | H32 | 177.9° | 177.8° |
| H31 | C18 | N4 | C17 | 26.8° | 17.6° |
| H31 | C18 | C19 | N5 | 172.2° | 20.4° |
| O6 | C19 | N5 | C23 | 11.5° | 2.0° |
| O6 | C19 | N5 | H39 | 168.5° | 177.6° |
| C21 | C20 | C22 | H32 | 119.5° | 120.0° |
| C20 | C21 | H33 | H34 | 120.0° | 120.0° |
| C20 | C21 | H33 | H35 | 120.0° | 120.0° |
| C20 | C21 | H34 | H35 | 120.0° | 119.9° |
| C21 | C20 | C22 | H36 | 57.7° | 59.9° |
| C21 | C20 | C22 | H37 | 62.3° | 180.0° |
| C21 | C20 | C22 | H38 | 177.7° | 60.0° |
| C22 | C20 | C21 | H33 | 59.1° | 60.0° |
| C22 | C20 | C21 | H34 | 179.1° | 60.1° |
| C22 | C20 | C21 | H35 | 60.9° | 180.0° |
| C20 | C22 | H36 | H37 | 120.0° | 120.1° |
| C20 | C22 | H36 | H38 | 120.0° | 120.0° |
| C20 | C22 | H37 | H38 | 120.0° | 120.0° |
| H32 | C20 | C21 | H33 | 60.4° | 180.0° |
| H32 | C20 | C21 | H34 | 59.6° | 59.9° |
| H32 | C20 | C21 | H35 | 179.6° | 60.0° |
| H32 | C20 | C22 | H36 | 61.8° | 179.9° |
| H32 | C20 | C22 | H37 | 178.2° | 60.0° |
| H32 | C20 | C22 | H38 | 58.2° | 60.0° |
| H33 | C21 | H34 | H35 | 120.0° | 120.0° |
| H36 | C22 | H37 | H38 | 120.0° | 119.9° |
| C23 | N5 | H39 | C19 | 180.0° | 179.6° |
| N5 | C23 | C24 | C25 | 121.3° | 125.7° |
| N5 | C23 | C24 | H40 | 120.4° | 117.5° |
| N5 | C23 | C25 | H40 | 121.0° | 121.3° |
| N5 | C23 | C24 | O7 | 136.2° | 20.7° |
| N5 | C23 | C25 | C26 | 86.2° | 65.0° |
| N5 | C23 | C25 | H41 | 33.9° | 55.1° |
| N5 | C23 | C25 | H42 | 153.7° | 175.0° |
| N5 | C23 | C24 | N6 | 44.6° | 159.2° |
| H39 | N5 | C23 | C24 | 83.7° | 56.1° |
| H39 | N5 | C23 | C25 | 36.2° | 178.4° |
| H39 | N5 | C23 | H40 | 156.3° | 60.7° |
| C24 | C23 | C25 | H40 | 118.7° | 116.7° |
| C23 | C24 | O7 | N6 | 179.2° | 179.9° |
| C24 | C23 | C25 | C26 | 153.5° | 173.0° |
| C24 | C23 | C25 | H41 | 86.4° | 66.9° |
| C24 | C23 | C25 | H42 | 33.4° | 53.1° |
| C23 | C24 | N6 | C27 | 173.3° | 177.3° |
| C23 | C24 | N6 | H44 | 6.7° | 2.1° |
| C24 | C23 | N5 | C19 | 96.3° | 123.5° |
| C25 | C23 | C24 | O7 | 102.4° | 105.0° |
| C23 | C25 | C26 | H41 | 120.1° | 120.0° |
| C23 | C25 | C26 | H42 | 120.1° | 120.0° |
| C23 | C25 | H41 | H42 | 119.7° | 119.9° |
| C23 | C25 | C26 | O8 | 119.0° | 0.0° |
| C23 | C25 | C26 | O9 | 61.5° | 180.0° |
| C25 | C23 | C24 | N6 | 76.8° | 75.1° |
| C25 | C23 | N5 | C19 | 143.8° | 1.2° |
| H40 | C23 | C24 | O7 | 15.8° | 138.2° |
| H40 | C23 | C25 | C26 | 34.8° | 56.3° |
| H40 | C23 | C25 | H41 | 154.9° | 176.4° |
| H40 | C23 | C25 | H42 | 85.3° | 63.7° |
| H40 | C23 | C24 | N6 | 165.0° | 41.7° |
| H40 | C23 | N5 | C19 | 23.7° | 119.7° |
| O7 | C24 | N6 | C27 | 5.9° | 2.6° |
| O7 | C24 | N6 | H44 | 174.1° | 178.1° |
| C26 | C25 | H41 | H42 | 119.7° | 120.1° |
| C25 | C26 | O8 | O9 | 179.5° | 180.0° |
| C25 | C26 | O9 | H43 | 179.5° | 179.9° |
| H41 | C25 | C26 | O8 | 1.1° | 119.9° |
| H41 | C25 | C26 | O9 | 178.4° | 60.0° |
| H42 | C25 | C26 | O8 | 120.9° | 120.0° |
| H42 | C25 | C26 | O9 | 58.6° | 60.0° |
| O8 | C26 | O9 | H43 | 0.0° | 0.1° |
| C27 | N6 | H44 | C24 | 180.0° | 179.3° |
| N6 | C27 | C28 | C32 | 116.1° | 120.7° |
| N6 | C27 | C28 | H45 | 124.5° | 119.0° |
| N6 | C27 | C32 | H45 | 117.3° | 118.5° |
| N6 | C27 | C28 | C29 | 74.5° | 65.0° |
| N6 | C27 | C28 | H46 | 164.4° | 175.1° |
| N6 | C27 | C28 | H47 | 46.6° | 55.0° |
| N6 | C27 | C32 | O10 | 125.4° | 41.1° |
| N6 | C27 | C32 | N7 | 53.3° | 140.4° |
| H44 | N6 | C27 | C28 | 67.0° | 108.6° |
| H44 | N6 | C27 | C32 | 52.6° | 129.5° |
| H44 | N6 | C27 | H45 | 169.3° | 10.8° |
| C28 | C27 | C32 | H45 | 119.0° | 120.6° |
| C27 | C28 | C29 | H46 | 121.1° | 119.9° |
| C27 | C28 | C29 | H47 | 121.1° | 120.0° |
| C27 | C28 | H46 | H47 | 116.5° | 120.0° |
| C27 | C28 | C29 | C30 | 70.8° | 65.0° |
| C27 | C28 | C29 | C31 | 57.9° | 175.0° |
| C27 | C28 | C29 | H48 | 172.9° | 55.0° |
| C28 | C27 | C32 | O10 | 1.7° | 161.9° |
| C28 | C27 | N6 | C24 | 112.9° | 70.7° |
| C28 | C27 | C32 | N7 | 177.1° | 19.6° |
| C32 | C27 | C28 | C29 | 169.4° | 174.3° |
| C32 | C27 | C28 | H46 | 48.3° | 54.4° |
| C32 | C27 | C28 | H47 | 69.5° | 65.6° |
| C27 | C32 | O10 | N7 | 178.7° | 178.5° |
| C27 | C32 | N7 | C33 | 172.3° | 166.0° |
| C27 | C32 | N7 | H55 | 7.7° | 15.9° |
| C32 | C27 | N6 | C24 | 127.4° | 51.2° |
| H45 | C27 | C28 | C29 | 49.9° | 54.0° |
| H45 | C27 | C28 | H46 | 71.2° | 65.9° |
| H45 | C27 | C28 | H47 | 171.1° | 174.0° |
| H45 | C27 | C32 | O10 | 117.3° | 77.5° |
| H45 | C27 | N6 | C24 | 10.7° | 169.9° |
| H45 | C27 | C32 | N7 | 64.0° | 101.1° |
| C29 | C28 | H46 | H47 | 116.6° | 120.0° |
| C28 | C29 | C30 | C31 | 129.4° | 120.0° |
| C28 | C29 | C30 | H48 | 116.2° | 120.0° |
| C28 | C29 | C31 | H48 | 114.9° | 119.9° |
| C28 | C29 | C30 | H49 | 180.0° | 180.0° |
| C28 | C29 | C30 | H50 | 60.0° | 60.0° |
| C28 | C29 | C30 | H51 | 60.0° | 60.0° |
| C28 | C29 | C31 | H52 | 180.0° | 60.0° |
| C28 | C29 | C31 | H53 | 60.0° | 180.0° |
| C28 | C29 | C31 | H54 | 60.0° | 60.0° |
| H46 | C28 | C29 | C30 | 168.1° | 55.0° |
| H46 | C28 | C29 | C31 | 63.2° | 65.0° |
| H46 | C28 | C29 | H48 | 51.8° | 175.0° |
| H47 | C28 | C29 | C30 | 50.3° | 175.0° |
| H47 | C28 | C29 | C31 | 179.0° | 55.0° |
| H47 | C28 | C29 | H48 | 65.9° | 65.0° |
| C30 | C29 | C31 | H48 | 114.4° | 120.1° |
| C29 | C30 | H49 | H50 | 120.0° | 120.0° |
| C29 | C30 | H49 | H51 | 120.0° | 120.0° |
| C29 | C30 | H50 | H51 | 120.0° | 120.0° |
| C30 | C29 | C31 | H52 | 49.3° | 180.0° |
| C30 | C29 | C31 | H53 | 70.7° | 60.0° |
| C30 | C29 | C31 | H54 | 169.3° | 60.0° |
| C31 | C29 | C30 | H49 | 50.6° | 60.0° |
| C31 | C29 | C30 | H50 | 170.6° | 180.0° |
| C31 | C29 | C30 | H51 | 69.4° | 60.0° |
| C29 | C31 | H52 | H53 | 120.0° | 120.0° |
| C29 | C31 | H52 | H54 | 120.0° | 120.0° |
| C29 | C31 | H53 | H54 | 120.0° | 120.0° |
| H48 | C29 | C30 | H49 | 63.8° | 60.1° |
| H48 | C29 | C30 | H50 | 56.2° | 60.0° |
| H48 | C29 | C30 | H51 | 176.2° | 179.9° |
| H48 | C29 | C31 | H52 | 65.1° | 59.9° |
| H48 | C29 | C31 | H53 | 174.9° | 60.0° |
| H48 | C29 | C31 | H54 | 54.9° | 179.9° |
| H49 | C30 | H50 | H51 | 120.0° | 119.9° |
| H52 | C31 | H53 | H54 | 120.0° | 120.0° |
| O10 | C32 | N7 | C33 | 6.5° | 15.5° |
| O10 | C32 | N7 | H55 | 173.5° | 162.6° |
| C33 | N7 | H55 | C32 | 180.0° | 178.1° |
| N7 | C33 | C34 | C35 | 124.1° | 118.9° |
| N7 | C33 | C34 | H56 | 117.2° | 119.9° |
| N7 | C33 | C35 | H56 | 122.5° | 120.8° |
| N7 | C33 | C34 | O11 | 12.7° | 22.1° |
| N7 | C33 | C35 | C36 | 61.0° | 158.4° |
| N7 | C33 | C35 | H57 | 177.8° | 38.4° |
| N7 | C33 | C35 | H58 | 60.3° | 81.7° |
| N7 | C33 | C34 | O13 | 165.6° | 158.0° |
| H55 | N7 | C33 | C34 | 84.7° | 3.7° |
| H55 | N7 | C33 | C35 | 37.0° | 122.4° |
| H55 | N7 | C33 | H56 | 158.7° | 116.5° |
| C34 | C33 | C35 | H56 | 119.1° | 121.4° |
| C33 | C34 | O11 | O13 | 178.2° | 179.8° |
| C34 | C33 | C35 | C36 | 57.4° | 83.9° |
| C34 | C33 | C35 | H57 | 63.8° | 156.1° |
| C34 | C33 | C35 | H58 | 178.7° | 36.1° |
| C33 | C34 | O13 | C41 | 163.5° | 0.0° |
| C34 | C33 | N7 | C32 | 95.3° | 178.1° |
| C35 | C33 | C34 | O11 | 111.4° | 96.7° |
| C33 | C35 | C36 | H57 | 121.2° | 120.0° |
| C33 | C35 | C36 | H58 | 121.2° | 120.0° |
| C33 | C35 | H57 | H58 | 116.2° | 120.0° |
| C33 | C35 | C36 | C37 | 159.1° | 62.7° |
| C33 | C35 | C36 | C38 | 77.3° | 177.2° |
| C33 | C35 | C36 | H59 | 42.1° | 57.3° |
| C35 | C33 | N7 | C32 | 143.0° | 59.4° |
| C35 | C33 | C34 | O13 | 70.3° | 83.1° |
| H56 | C33 | C34 | O11 | 129.9° | 142.0° |
| H56 | C33 | C35 | C36 | 176.6° | 37.6° |
| H56 | C33 | C35 | H57 | 55.4° | 82.5° |
| H56 | C33 | C35 | H58 | 62.2° | 157.5° |
| H56 | C33 | N7 | C32 | 21.3° | 61.6° |
| H56 | C33 | C34 | O13 | 48.4° | 38.2° |
| O11 | C34 | O13 | C41 | 14.7° | 179.9° |
| C36 | C35 | H57 | H58 | 116.2° | 119.9° |
| C35 | C36 | C37 | C38 | 126.6° | 120.0° |
| C35 | C36 | C37 | H59 | 116.8° | 120.0° |
| C35 | C36 | C38 | H59 | 119.4° | 120.0° |
| C35 | C36 | C37 | H60 | 180.0° | 65.3° |
| C35 | C36 | C37 | H61 | 60.0° | 174.7° |
| C35 | C36 | C37 | H62 | 60.0° | 54.7° |
| C35 | C36 | C38 | H63 | 180.0° | 60.0° |
| C35 | C36 | C38 | H64 | 60.0° | 179.9° |
| C35 | C36 | C38 | H65 | 60.0° | 60.0° |
| H57 | C35 | C36 | C37 | 37.9° | 57.3° |
| H57 | C35 | C36 | C38 | 161.5° | 62.7° |
| H57 | C35 | C36 | H59 | 79.1° | 177.3° |
| H58 | C35 | C36 | C37 | 79.7° | 177.3° |
| H58 | C35 | C36 | C38 | 44.0° | 57.3° |
| H58 | C35 | C36 | H59 | 163.4° | 62.7° |
| C37 | C36 | C38 | H59 | 116.6° | 120.0° |
| C36 | C37 | H60 | H61 | 120.0° | 120.1° |
| C36 | C37 | H60 | H62 | 120.0° | 120.0° |
| C36 | C37 | H61 | H62 | 120.0° | 120.0° |
| C37 | C36 | C38 | H63 | 55.9° | 180.0° |
| C37 | C36 | C38 | H64 | 64.1° | 59.9° |
| C37 | C36 | C38 | H65 | 176.0° | 60.0° |
| C38 | C36 | C37 | H60 | 53.4° | 54.8° |
| C38 | C36 | C37 | H61 | 173.4° | 65.3° |
| C38 | C36 | C37 | H62 | 66.6° | 174.7° |
| C36 | C38 | H63 | H64 | 120.0° | 120.0° |
| C36 | C38 | H63 | H65 | 120.0° | 120.0° |
| C36 | C38 | H64 | H65 | 120.0° | 119.9° |
| H59 | C36 | C37 | H60 | 63.2° | 174.7° |
| H59 | C36 | C37 | H61 | 56.8° | 54.7° |
| H59 | C36 | C37 | H62 | 176.8° | 65.3° |
| H59 | C36 | C38 | H63 | 60.6° | 60.0° |
| H59 | C36 | C38 | H64 | 179.4° | 60.1° |
| H59 | C36 | C38 | H65 | 59.4° | 180.0° |
| H60 | C37 | H61 | H62 | 120.0° | 120.0° |
| H63 | C38 | H64 | H65 | 120.0° | 120.0° |
| C40 | C39 | O12 | N1 | 178.3° | 179.8° |
| C39 | C40 | C41 | H66 | 120.9° | 120.7° |
| C39 | C40 | C41 | H67 | 120.9° | 120.5° |
| C39 | C40 | H66 | H67 | 117.3° | 119.7° |
| C39 | C40 | C41 | O13 | 71.7° | 53.3° |
| C39 | C40 | C41 | C42 | 168.0° | 173.2° |
| C39 | C40 | C41 | H68 | 50.4° | 68.4° |
| O12 | C39 | C40 | C41 | 167.8° | 28.8° |
| O12 | C39 | C40 | H66 | 46.9° | 149.1° |
| O12 | C39 | C40 | H67 | 71.3° | 91.6° |
| C41 | C40 | H66 | H67 | 117.3° | 119.2° |
| C40 | C41 | O13 | C42 | 119.4° | 119.3° |
| C40 | C41 | O13 | H68 | 120.8° | 121.0° |
| C40 | C41 | C42 | H68 | 117.5° | 119.0° |
| C40 | C41 | C42 | C43 | 163.3° | 175.0° |
| C40 | C41 | C42 | H69 | 42.6° | 55.1° |
| C40 | C41 | C42 | H70 | 76.1° | 65.0° |
| C41 | C40 | C39 | N1 | 13.9° | 151.4° |
| C40 | C41 | O13 | C34 | 65.2° | 132.7° |
| H66 | C40 | C41 | O13 | 167.4° | 174.0° |
| H66 | C40 | C41 | C42 | 47.1° | 66.1° |
| H66 | C40 | C41 | H68 | 70.5° | 52.3° |
| H66 | C40 | C39 | N1 | 134.8° | 31.1° |
| H67 | C40 | C41 | O13 | 49.2° | 67.2° |
| H67 | C40 | C41 | C42 | 71.1° | 52.7° |
| H67 | C40 | C41 | H68 | 171.3° | 171.2° |
| H67 | C40 | C39 | N1 | 107.0° | 88.2° |
| O13 | C41 | C42 | H68 | 121.0° | 120.9° |
| O13 | C41 | C42 | C43 | 75.2° | 64.9° |
| O13 | C41 | C42 | H69 | 164.2° | 175.2° |
| O13 | C41 | C42 | H70 | 45.4° | 55.1° |
| C41 | C42 | C43 | H69 | 120.6° | 120.0° |
| C41 | C42 | C43 | H70 | 120.6° | 120.0° |
| C41 | C42 | H69 | H70 | 118.1° | 120.1° |
| C41 | C42 | C43 | C44 | 76.3° | 180.0° |
| C41 | C42 | C43 | H71 | 163.2° | 60.0° |
| C41 | C42 | C43 | H72 | 44.2° | 60.0° |
| C42 | C41 | O13 | C34 | 175.4° | 108.0° |
| H68 | C41 | C42 | C43 | 45.8° | 56.0° |
| H68 | C41 | C42 | H69 | 74.8° | 63.9° |
| H68 | C41 | C42 | H70 | 166.4° | 176.0° |
| H68 | C41 | O13 | C34 | 55.6° | 11.7° |
| C43 | C42 | H69 | H70 | 118.1° | 120.0° |
| C42 | C43 | C44 | H71 | 120.5° | 119.9° |
| C42 | C43 | C44 | H72 | 120.6° | 120.0° |
| C42 | C43 | H71 | H72 | 118.4° | 120.0° |
| C42 | C43 | C44 | C45 | 178.9° | 180.0° |
| C42 | C43 | C44 | H73 | 58.2° | 60.1° |
| C42 | C43 | C44 | H74 | 60.4° | 60.0° |
| H69 | C42 | C43 | C44 | 44.3° | 60.0° |
| H69 | C42 | C43 | H71 | 76.2° | 180.0° |
| H69 | C42 | C43 | H72 | 164.8° | 60.0° |
| H70 | C42 | C43 | C44 | 163.1° | 60.0° |
| H70 | C42 | C43 | H71 | 42.6° | 60.0° |
| H70 | C42 | C43 | H72 | 76.4° | 180.0° |
| C44 | C43 | H71 | H72 | 118.3° | 120.1° |
| C43 | C44 | C45 | H73 | 120.7° | 119.9° |
| C43 | C44 | C45 | H74 | 120.7° | 120.0° |
| C43 | C44 | H73 | H74 | 117.7° | 120.0° |
| C43 | C44 | C45 | C46 | 69.7° | 180.0° |
| C43 | C44 | C45 | H75 | 169.4° | 60.0° |
| C43 | C44 | C45 | H76 | 51.1° | 60.0° |
| H71 | C43 | C44 | C45 | 60.6° | 60.1° |
| H71 | C43 | C44 | H73 | 178.7° | 180.0° |
| H71 | C43 | C44 | H74 | 60.2° | 59.9° |
| H72 | C43 | C44 | C45 | 58.4° | 60.0° |
| H72 | C43 | C44 | H73 | 62.4° | 59.9° |
| H72 | C43 | C44 | H74 | 179.1° | 180.0° |
| C45 | C44 | H73 | H74 | 117.8° | 120.0° |
| C44 | C45 | C46 | H75 | 120.9° | 120.0° |
| C44 | C45 | C46 | H76 | 120.8° | 120.0° |
| C44 | C45 | H75 | H76 | 117.4° | 120.0° |
| C44 | C45 | C46 | C47 | 62.9° | NaN° |
| C44 | C45 | C46 | H77 | 176.4° | 60.0° |
| C44 | C45 | C46 | H78 | 57.8° | 60.0° |
| H73 | C44 | C45 | C46 | 51.0° | 60.1° |
| H73 | C44 | C45 | H75 | 69.9° | 179.9° |
| H73 | C44 | C45 | H76 | 171.8° | 60.0° |
| H74 | C44 | C45 | C46 | 169.5° | 60.0° |
| H74 | C44 | C45 | H75 | 48.7° | 60.0° |
| H74 | C44 | C45 | H76 | 69.6° | 179.9° |
| C46 | C45 | H75 | H76 | 117.3° | 120.0° |
| C45 | C46 | C47 | H77 | 120.7° | 120.0° |
| C45 | C46 | C47 | H78 | 120.7° | 120.0° |
| C45 | C46 | H77 | H78 | 118.0° | 120.1° |
| C45 | C46 | C47 | C48 | 176.1° | NaN° |
| C45 | C46 | C47 | H79 | 63.3° | 60.0° |
| C45 | C46 | C47 | H80 | 55.6° | 60.0° |
| H75 | C45 | C46 | C47 | 57.9° | 60.0° |
| H75 | C45 | C46 | H77 | 62.7° | 179.9° |
| H75 | C45 | C46 | H78 | 178.6° | 60.0° |
| H76 | C45 | C46 | C47 | 176.2° | 60.0° |
| H76 | C45 | C46 | H77 | 55.6° | 60.0° |
| H76 | C45 | C46 | H78 | 63.1° | 180.0° |
| C47 | C46 | H77 | H78 | 117.9° | 120.0° |
| C46 | C47 | C48 | H79 | 120.6° | 120.0° |
| C46 | C47 | C48 | H80 | 120.6° | 120.0° |
| C46 | C47 | H79 | H80 | 118.3° | 120.1° |
| C46 | C47 | C48 | C49 | 177.6° | 180.0° |
| C46 | C47 | C48 | H81 | 61.9° | 60.0° |
| C46 | C47 | C48 | H82 | 57.1° | 60.0° |
| H77 | C46 | C47 | C48 | 55.4° | 60.0° |
| H77 | C46 | C47 | H79 | 176.0° | 180.0° |
| H77 | C46 | C47 | H80 | 65.1° | 60.0° |
| H78 | C46 | C47 | C48 | 63.2° | 60.0° |
| H78 | C46 | C47 | H79 | 57.4° | 60.0° |
| H78 | C46 | C47 | H80 | 176.3° | 180.0° |
| C48 | C47 | H79 | H80 | 118.3° | 119.9° |
| C47 | C48 | C49 | H81 | 120.5° | 120.0° |
| C47 | C48 | C49 | H82 | 120.4° | 120.0° |
| C47 | C48 | H81 | H82 | 118.6° | 120.0° |
| C47 | C48 | C49 | C50 | 179.4° | 180.0° |
| C47 | C48 | C49 | H83 | 58.8° | 60.0° |
| C47 | C48 | C49 | H84 | 60.0° | 60.0° |
| H79 | C47 | C48 | C49 | 57.0° | 60.0° |
| H79 | C47 | C48 | H81 | 177.5° | 180.0° |
| H79 | C47 | C48 | H82 | 63.4° | 60.0° |
| H80 | C47 | C48 | C49 | 61.9° | 60.0° |
| H80 | C47 | C48 | H81 | 58.6° | 60.0° |
| H80 | C47 | C48 | H82 | 177.7° | 179.9° |
| C49 | C48 | H81 | H82 | 118.6° | 119.9° |
| C48 | C49 | C50 | H83 | 120.6° | 120.0° |
| C48 | C49 | C50 | H84 | 120.6° | 120.0° |
| C48 | C49 | H83 | H84 | 118.3° | 119.9° |
| C48 | C49 | C50 | C51 | 176.9° | 180.0° |
| C48 | C49 | C50 | H85 | 56.4° | 60.0° |
| C48 | C49 | C50 | H86 | 62.6° | 60.0° |
| H81 | C48 | C49 | C50 | 60.1° | 60.0° |
| H81 | C48 | C49 | H83 | 179.3° | 180.0° |
| H81 | C48 | C49 | H84 | 60.4° | 60.1° |
| H82 | C48 | C49 | C50 | 59.0° | 60.0° |
| H82 | C48 | C49 | H83 | 61.6° | 60.1° |
| H82 | C48 | C49 | H84 | 179.5° | 180.0° |
| C50 | C49 | H83 | H84 | 118.3° | 120.0° |
| C49 | C50 | C51 | H85 | 120.5° | 120.0° |
| C49 | C50 | C51 | H86 | 120.5° | 120.0° |
| C49 | C50 | H85 | H86 | 118.4° | 119.9° |
| C49 | C50 | C51 | C52 | 178.6° | NaN° |
| C49 | C50 | C51 | H87 | 58.0° | 60.0° |
| C49 | C50 | C51 | H88 | 60.7° | 59.9° |
| H83 | C49 | C50 | C51 | 62.5° | 60.0° |
| H83 | C49 | C50 | H85 | 177.0° | 180.0° |
| H83 | C49 | C50 | H86 | 58.0° | 60.0° |
| H84 | C49 | C50 | C51 | 56.4° | 60.0° |
| H84 | C49 | C50 | H85 | 64.1° | 60.0° |
| H84 | C49 | C50 | H86 | 176.9° | 180.0° |
| C51 | C50 | H85 | H86 | 118.4° | 120.1° |
| C50 | C51 | C52 | H87 | 120.7° | 120.0° |
| C50 | C51 | C52 | H88 | 120.7° | 120.1° |
| C50 | C51 | H87 | H88 | 118.0° | 120.0° |
| C50 | C51 | C52 | H89 | 180.0° | 180.0° |
| C50 | C51 | C52 | H90 | 60.0° | 60.0° |
| C50 | C51 | C52 | H91 | 60.0° | 60.0° |
| H85 | C50 | C51 | C52 | 60.8° | 60.0° |
| H85 | C50 | C51 | H87 | 178.5° | 180.0° |
| H85 | C50 | C51 | H88 | 59.8° | 60.1° |
| H86 | C50 | C51 | C52 | 58.1° | 60.0° |
| H86 | C50 | C51 | H87 | 62.5° | 60.0° |
| H86 | C50 | C51 | H88 | 178.8° | 179.9° |
| C52 | C51 | H87 | H88 | 118.0° | 120.0° |
| C51 | C52 | H89 | H90 | 120.0° | 120.0° |
| C51 | C52 | H89 | H91 | 120.0° | 120.0° |
| C51 | C52 | H90 | H91 | 120.0° | 120.0° |
| H87 | C51 | C52 | H89 | 59.3° | 59.9° |
| H87 | C51 | C52 | H90 | 179.3° | 180.0° |
| H87 | C51 | C52 | H91 | 60.6° | 60.0° |
| H88 | C51 | C52 | H89 | 59.3° | 60.0° |
| H88 | C51 | C52 | H90 | 60.7° | 60.1° |
| H88 | C51 | C52 | H91 | 179.3° | 180.0° |
| H89 | C52 | H90 | H91 | 120.0° | 120.0° |
