PRD_000487
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.46Å | 1.44Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.27Å | |
| C4 | O3 | sing | 1.34Å | 1.27Å | |
| O3 | H5 | sing | 0.97Å | 0.95Å | |
| N2 | C5 | sing | 1.46Å | 1.45Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | C8 | sing | 1.50Å | 1.52Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | N3 | sing | 1.48Å | 1.48Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | O4 | doub | 1.21Å | 1.23Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| N4 | C9 | sing | 1.46Å | 1.50Å | |
| N4 | C13 | sing | 1.46Å | 1.49Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.52Å | 1.53Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | O5 | doub | 1.21Å | 1.22Å | |
| C15 | O6 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | N5 | sing | 1.48Å | 1.45Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| N5 | H23 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.55Å | |
| C17 | C19 | sing | 1.53Å | 1.51Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | O7 | sing | 1.34Å | 1.27Å | |
| C18 | O8 | doub | 1.21Å | 1.24Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| O7 | H28 | sing | 0.97Å | 0.95Å | |
| N6 | C20 | sing | 1.48Å | 1.46Å | |
| N6 | H29 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.51Å | 1.51Å | |
| C20 | C22 | sing | 1.53Å | 1.54Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | O9 | doub | 1.21Å | 1.24Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | O10 | doub | 1.21Å | 1.28Å | |
| C23 | O11 | sing | 1.34Å | 1.26Å | |
| O11 | H33 | sing | 0.97Å | 0.95Å | |
| N7 | C24 | sing | 1.48Å | 1.45Å | |
| N7 | H34 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.50Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | O12 | doub | 1.21Å | 1.22Å | |
| N8 | C26 | sing | 1.48Å | 1.45Å | |
| N8 | H37 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| C26 | C28 | sing | 1.53Å | 1.52Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | O13 | doub | 1.21Å | 1.22Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | O14 | doub | 1.21Å | 1.25Å | |
| C29 | O15 | sing | 1.34Å | 1.24Å | |
| O15 | H41 | sing | 0.97Å | 0.95Å | |
| N9 | C30 | sing | 1.48Å | 1.47Å | |
| N9 | H42 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.51Å | 1.52Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | H44 | sing | 1.09Å | 1.10Å | |
| C31 | O16 | doub | 1.21Å | 1.26Å | |
| N10 | C32 | sing | 1.48Å | 1.45Å | |
| N10 | H45 | sing | 0.97Å | 1.00Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | C35 | sing | 1.50Å | 1.50Å | |
| C32 | H46 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C33 | N11 | sing | 1.47Å | 1.47Å | |
| C33 | H47 | sing | 1.09Å | 1.10Å | |
| C34 | H48 | sing | 1.09Å | 1.10Å | |
| C34 | H49 | sing | 1.09Å | 1.10Å | |
| C34 | H50 | sing | 1.09Å | 1.10Å | |
| C35 | O17 | doub | 1.21Å | 1.25Å | |
| N11 | H51 | sing | 1.01Å | 1.00Å | |
| N11 | H52 | sing | 1.01Å | 1.00Å | |
| N12 | C36 | sing | 1.48Å | 1.43Å | |
| N12 | H53 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.50Å | 1.51Å | |
| C36 | C38 | sing | 1.53Å | 1.54Å | |
| C36 | H54 | sing | 1.09Å | 1.10Å | |
| C37 | O18 | doub | 1.21Å | 1.26Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | C40 | sing | 1.53Å | 1.50Å | |
| C38 | H55 | sing | 1.09Å | 1.10Å | |
| C39 | H56 | sing | 1.09Å | 1.10Å | |
| C39 | H57 | sing | 1.09Å | 1.10Å | |
| C39 | H58 | sing | 1.09Å | 1.10Å | |
| C40 | H59 | sing | 1.09Å | 1.10Å | |
| C40 | H60 | sing | 1.09Å | 1.10Å | |
| C40 | H61 | sing | 1.09Å | 1.10Å | |
| N13 | C41 | sing | 1.46Å | 1.45Å | |
| N13 | C45 | sing | 1.46Å | 1.50Å | |
| C41 | C42 | sing | 1.51Å | 1.55Å | |
| C41 | C43 | sing | 1.54Å | 1.53Å | |
| C41 | H62 | sing | 1.09Å | 1.10Å | |
| C42 | O19 | doub | 1.21Å | 1.20Å | |
| C43 | C44 | sing | 1.54Å | 1.48Å | |
| C43 | H63 | sing | 1.09Å | 1.10Å | |
| C43 | H64 | sing | 1.09Å | 1.10Å | |
| C44 | C45 | sing | 1.53Å | 1.52Å | |
| C44 | H65 | sing | 1.09Å | 1.10Å | |
| C44 | H66 | sing | 1.09Å | 1.10Å | |
| C45 | H67 | sing | 1.09Å | 1.10Å | |
| C45 | H68 | sing | 1.09Å | 1.10Å | |
| O20 | C46 | doub | 1.21Å | 1.23Å | |
| C46 | C47 | sing | 1.51Å | 1.50Å | |
| C47 | C48 | sing | 1.51Å | 1.48Å | |
| C47 | H69 | sing | 1.09Å | 1.10Å | |
| C47 | H70 | sing | 1.09Å | 1.10Å | |
| C48 | C49 | doub | 1.31Å | 1.31Å | |
| C48 | H71 | sing | 1.08Å | 1.08Å | |
| C49 | C50 | sing | 1.51Å | 1.50Å | |
| C49 | H72 | sing | 1.08Å | 1.08Å | |
| C50 | C51 | sing | 1.53Å | 1.53Å | |
| C50 | H73 | sing | 1.09Å | 1.10Å | |
| C50 | H74 | sing | 1.09Å | 1.10Å | |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| C51 | H75 | sing | 1.09Å | 1.10Å | |
| C51 | H76 | sing | 1.09Å | 1.10Å | |
| C52 | C53 | sing | 1.53Å | 1.53Å | |
| C52 | H77 | sing | 1.09Å | 1.10Å | |
| C52 | H78 | sing | 1.09Å | 1.10Å | |
| C53 | C54 | sing | 1.53Å | 49.64Å | |
| C53 | H79 | sing | 1.09Å | 1.10Å | |
| C53 | H80 | sing | 1.09Å | 1.10Å | |
| C54 | C55 | sing | 1.53Å | 0.00Å | |
| C54 | H81 | sing | 1.09Å | 0.00Å | |
| C54 | H82 | sing | 1.09Å | 0.00Å | |
| C55 | C56 | sing | 1.53Å | 0.00Å | |
| C55 | H83 | sing | 1.09Å | 0.00Å | |
| C55 | H84 | sing | 1.09Å | 0.00Å | |
| C56 | C57 | sing | 1.53Å | 0.00Å | |
| C56 | H85 | sing | 1.09Å | 0.00Å | |
| C56 | H86 | sing | 1.09Å | 0.00Å | |
| C57 | C58 | sing | 1.53Å | 0.00Å | |
| C57 | C59 | sing | 1.53Å | 0.00Å | |
| C57 | H87 | sing | 1.09Å | 0.00Å | |
| C58 | H88 | sing | 1.09Å | 0.00Å | |
| C58 | H89 | sing | 1.09Å | 0.00Å | |
| C58 | H90 | sing | 1.09Å | 0.00Å | |
| C59 | H91 | sing | 1.09Å | 0.00Å | |
| C59 | H92 | sing | 1.09Å | 0.00Å | |
| C59 | H93 | sing | 1.09Å | 0.00Å | |
| C2 | N2 | sing | 1.35Å | 1.32Å | |
| C8 | N4 | sing | 1.34Å | 1.33Å | |
| N3 | C42 | sing | 1.37Å | 1.31Å | |
| C14 | N5 | sing | 1.37Å | 1.33Å | |
| C15 | N6 | sing | 1.36Å | 1.33Å | |
| C31 | N10 | sing | 1.36Å | 1.33Å | |
| C35 | N12 | sing | 1.37Å | 1.33Å | |
| N1 | C46 | sing | 1.35Å | 1.31Å | |
| C21 | N7 | sing | 1.36Å | 1.30Å | |
| C25 | N8 | sing | 1.36Å | 1.34Å | |
| C27 | N9 | sing | 1.36Å | 1.33Å | |
| C37 | N13 | sing | 1.35Å | 1.31Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 117.8° | 120.0° |
| N1 | C1 | C2 | 107.3° | 109.5° |
| N1 | C1 | C3 | 114.3° | 109.5° |
| N1 | C1 | H2 | 109.0° | 109.5° |
| C1 | N1 | C46 | 124.3° | 120.1° |
| H1 | N1 | C46 | 117.9° | 119.9° |
| C2 | C1 | C3 | 110.3° | 109.5° |
| C2 | C1 | H2 | 108.1° | 109.5° |
| C1 | C2 | O1 | 120.9° | 120.0° |
| C1 | C2 | N2 | 114.4° | 120.0° |
| C3 | C1 | H2 | 107.7° | 109.5° |
| C1 | C3 | C4 | 109.6° | 109.5° |
| C1 | C3 | H3 | 109.4° | 109.5° |
| C1 | C3 | H4 | 109.4° | 109.5° |
| O1 | C2 | N2 | 124.7° | 120.0° |
| C4 | C3 | H3 | 109.5° | 109.4° |
| C4 | C3 | H4 | 109.5° | 109.5° |
| C3 | C4 | O2 | 119.3° | 120.0° |
| C3 | C4 | O3 | 117.6° | 120.0° |
| H3 | C3 | H4 | 109.5° | 109.4° |
| O2 | C4 | O3 | 123.0° | 120.0° |
| C4 | O3 | H5 | 109.5° | 117.0° |
| C5 | N2 | H6 | 118.7° | 120.0° |
| N2 | C5 | C6 | 111.9° | 109.5° |
| N2 | C5 | C8 | 108.3° | 109.5° |
| N2 | C5 | H7 | 110.1° | 109.5° |
| C5 | N2 | C2 | 122.6° | 120.0° |
| H6 | N2 | C2 | 118.7° | 120.0° |
| C6 | C5 | C8 | 108.8° | 109.2° |
| C6 | C5 | H7 | 108.6° | 109.5° |
| C5 | C6 | C7 | 110.8° | 109.4° |
| C5 | C6 | N3 | 108.8° | 109.9° |
| C5 | C6 | H8 | 108.4° | 109.4° |
| C8 | C5 | H7 | 109.1° | 109.6° |
| C5 | C8 | O4 | 119.4° | 118.8° |
| C5 | C8 | N4 | 118.5° | 122.4° |
| C7 | C6 | N3 | 110.4° | 109.4° |
| C7 | C6 | H8 | 108.9° | 109.4° |
| C6 | C7 | H9 | 109.5° | 109.5° |
| C6 | C7 | H10 | 109.5° | 109.5° |
| C6 | C7 | H11 | 109.5° | 109.5° |
| N3 | C6 | H8 | 109.5° | 109.4° |
| C6 | N3 | H12 | 118.6° | 122.3° |
| C6 | N3 | C42 | 122.9° | 115.3° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H9 | C7 | H11 | 109.4° | 109.4° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| O4 | C8 | N4 | 122.0° | 118.8° |
| H12 | N3 | C42 | 118.5° | 122.3° |
| C9 | N4 | C13 | 116.7° | 120.3° |
| N4 | C9 | C10 | 110.6° | 109.8° |
| N4 | C9 | H13 | 109.2° | 109.4° |
| N4 | C9 | H14 | 109.2° | 109.4° |
| C9 | N4 | C8 | 125.0° | 120.4° |
| N4 | C13 | C12 | 110.0° | 109.9° |
| N4 | C13 | C14 | 114.4° | 109.6° |
| N4 | C13 | H21 | 107.4° | 108.8° |
| C13 | N4 | C8 | 118.3° | 119.3° |
| C10 | C9 | H13 | 109.2° | 109.5° |
| C10 | C9 | H14 | 109.2° | 109.4° |
| C9 | C10 | C11 | 109.7° | 109.1° |
| C9 | C10 | H15 | 109.4° | 109.6° |
| C9 | C10 | H16 | 109.4° | 109.6° |
| H13 | C9 | H14 | 109.5° | 109.4° |
| C11 | C10 | H15 | 109.4° | 109.6° |
| C11 | C10 | H16 | 109.4° | 109.5° |
| C10 | C11 | C12 | 109.8° | 109.4° |
| C10 | C11 | H17 | 109.4° | 109.4° |
| C10 | C11 | H18 | 109.4° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.6° |
| C12 | C11 | H17 | 109.4° | 109.5° |
| C12 | C11 | H18 | 109.4° | 109.5° |
| C11 | C12 | C13 | 111.3° | 109.9° |
| C11 | C12 | H19 | 109.0° | 109.4° |
| C11 | C12 | H20 | 109.0° | 109.4° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| C13 | C12 | H19 | 109.0° | 109.4° |
| C13 | C12 | H20 | 109.0° | 109.4° |
| C12 | C13 | C14 | 110.6° | 110.4° |
| C12 | C13 | H21 | 107.0° | 109.1° |
| H19 | C12 | H20 | 109.5° | 109.3° |
| C14 | C13 | H21 | 107.0° | 109.1° |
| C13 | C14 | O5 | 122.5° | 120.8° |
| C13 | C14 | N5 | 117.0° | 118.2° |
| O5 | C14 | N5 | 120.3° | 120.9° |
| O6 | C15 | C16 | 119.0° | 120.3° |
| O6 | C15 | N6 | 122.3° | 120.3° |
| C15 | C16 | N5 | 112.7° | 108.3° |
| C15 | C16 | C17 | 110.2° | 109.7° |
| C15 | C16 | H22 | 107.0° | 109.7° |
| C16 | C15 | N6 | 118.6° | 119.5° |
| N5 | C16 | C17 | 112.4° | 109.7° |
| N5 | C16 | H22 | 107.7° | 109.7° |
| C16 | N5 | H23 | 117.8° | 122.0° |
| C16 | N5 | C14 | 124.5° | 115.9° |
| C17 | C16 | H22 | 106.4° | 109.7° |
| C16 | C17 | C18 | 110.3° | 109.4° |
| C16 | C17 | C19 | 112.1° | 109.5° |
| C16 | C17 | H24 | 107.4° | 109.5° |
| H23 | N5 | C14 | 117.8° | 122.0° |
| C18 | C17 | C19 | 111.3° | 109.5° |
| C18 | C17 | H24 | 107.6° | 109.5° |
| C17 | C18 | O7 | 115.8° | 120.0° |
| C17 | C18 | O8 | 121.1° | 120.0° |
| C19 | C17 | H24 | 108.0° | 109.5° |
| C17 | C19 | H25 | 109.5° | 109.5° |
| C17 | C19 | H26 | 109.5° | 109.4° |
| C17 | C19 | H27 | 109.5° | 109.4° |
| O7 | C18 | O8 | 123.1° | 120.0° |
| C18 | O7 | H28 | 109.5° | 117.0° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H25 | C19 | H27 | 109.5° | 109.5° |
| H26 | C19 | H27 | 109.5° | 109.5° |
| C20 | N6 | H29 | 118.4° | 121.8° |
| N6 | C20 | C21 | 112.4° | 108.9° |
| N6 | C20 | C22 | 112.7° | 109.5° |
| N6 | C20 | H30 | 108.4° | 109.6° |
| C20 | N6 | C15 | 123.3° | 116.4° |
| H29 | N6 | C15 | 118.4° | 121.8° |
| C21 | C20 | C22 | 108.1° | 109.6° |
| C21 | C20 | H30 | 107.7° | 109.6° |
| C20 | C21 | O9 | 120.5° | 120.6° |
| C20 | C21 | N7 | 118.0° | 118.8° |
| C22 | C20 | H30 | 107.4° | 109.6° |
| C20 | C22 | C23 | 111.8° | 109.5° |
| C20 | C22 | H31 | 108.9° | 109.5° |
| C20 | C22 | H32 | 108.9° | 109.5° |
| O9 | C21 | N7 | 121.5° | 120.6° |
| C23 | C22 | H31 | 108.9° | 109.4° |
| C23 | C22 | H32 | 108.9° | 109.5° |
| C22 | C23 | O10 | 118.5° | 120.1° |
| C22 | C23 | O11 | 119.6° | 120.0° |
| H31 | C22 | H32 | 109.4° | 109.5° |
| O10 | C23 | O11 | 121.9° | 120.0° |
| C23 | O11 | H33 | 109.5° | 117.0° |
| C24 | N7 | H34 | 120.0° | 122.1° |
| N7 | C24 | C25 | 114.0° | 108.9° |
| N7 | C24 | H35 | 108.3° | 109.6° |
| N7 | C24 | H36 | 108.3° | 109.6° |
| C24 | N7 | C21 | 120.0° | 115.7° |
| H34 | N7 | C21 | 120.0° | 122.2° |
| C25 | C24 | H35 | 108.3° | 109.5° |
| C25 | C24 | H36 | 108.3° | 109.6° |
| C24 | C25 | O12 | 124.3° | 120.4° |
| C24 | C25 | N8 | 114.4° | 119.1° |
| H35 | C24 | H36 | 109.5° | 109.7° |
| O12 | C25 | N8 | 121.2° | 120.5° |
| C26 | N8 | H37 | 118.8° | 121.7° |
| N8 | C26 | C27 | 107.6° | 108.7° |
| N8 | C26 | C28 | 111.2° | 109.6° |
| N8 | C26 | H38 | 110.2° | 109.6° |
| C26 | N8 | C25 | 122.4° | 116.7° |
| H37 | N8 | C25 | 118.8° | 121.6° |
| C27 | C26 | C28 | 109.6° | 109.6° |
| C27 | C26 | H38 | 109.2° | 109.6° |
| C26 | C27 | O13 | 121.6° | 120.6° |
| C26 | C27 | N9 | 114.5° | 118.9° |
| C28 | C26 | H38 | 109.2° | 109.7° |
| C26 | C28 | C29 | 113.2° | 109.5° |
| C26 | C28 | H39 | 108.5° | 109.5° |
| C26 | C28 | H40 | 108.5° | 109.5° |
| O13 | C27 | N9 | 123.8° | 120.6° |
| C29 | C28 | H39 | 108.5° | 109.4° |
| C29 | C28 | H40 | 108.5° | 109.4° |
| C28 | C29 | O14 | 118.3° | 120.0° |
| C28 | C29 | O15 | 119.4° | 120.0° |
| H39 | C28 | H40 | 109.5° | 109.5° |
| O14 | C29 | O15 | 122.3° | 120.0° |
| C29 | O15 | H41 | 109.5° | 117.0° |
| C30 | N9 | H42 | 121.4° | 122.2° |
| N9 | C30 | C31 | 110.5° | 108.2° |
| N9 | C30 | H43 | 109.2° | 109.7° |
| N9 | C30 | H44 | 109.2° | 109.7° |
| C30 | N9 | C27 | 117.2° | 115.7° |
| H42 | N9 | C27 | 121.4° | 122.1° |
| C31 | C30 | H43 | 109.2° | 109.7° |
| C31 | C30 | H44 | 109.2° | 109.7° |
| C30 | C31 | O16 | 121.3° | 120.0° |
| C30 | C31 | N10 | 117.0° | 120.0° |
| H43 | C30 | H44 | 109.5° | 109.8° |
| O16 | C31 | N10 | 121.8° | 119.9° |
| C32 | N10 | H45 | 119.1° | 121.9° |
| N10 | C32 | C33 | 108.8° | 109.5° |
| N10 | C32 | C35 | 109.5° | 109.4° |
| N10 | C32 | H46 | 109.7° | 109.5° |
| C32 | N10 | C31 | 121.7° | 116.2° |
| H45 | N10 | C31 | 119.1° | 121.9° |
| C33 | C32 | C35 | 111.3° | 109.5° |
| C33 | C32 | H46 | 108.5° | 109.5° |
| C32 | C33 | C34 | 110.6° | 109.4° |
| C32 | C33 | N11 | 110.7° | 109.5° |
| C32 | C33 | H47 | 107.5° | 109.6° |
| C35 | C32 | H46 | 109.0° | 109.5° |
| C32 | C35 | O17 | 122.3° | 120.5° |
| C32 | C35 | N12 | 118.0° | 119.1° |
| C34 | C33 | N11 | 111.8° | 109.4° |
| C34 | C33 | H47 | 107.8° | 109.5° |
| C33 | C34 | H48 | 109.5° | 109.5° |
| C33 | C34 | H49 | 109.5° | 109.5° |
| C33 | C34 | H50 | 109.5° | 109.4° |
| N11 | C33 | H47 | 108.3° | 109.5° |
| C33 | N11 | H51 | 109.5° | 111.1° |
| C33 | N11 | H52 | 109.5° | 111.0° |
| H48 | C34 | H49 | 109.4° | 109.4° |
| H48 | C34 | H50 | 109.5° | 109.5° |
| H49 | C34 | H50 | 109.4° | 109.5° |
| O17 | C35 | N12 | 119.7° | 120.4° |
| H51 | N11 | H52 | 109.4° | 111.0° |
| C36 | N12 | H53 | 119.7° | 122.1° |
| N12 | C36 | C37 | 110.5° | 109.5° |
| N12 | C36 | C38 | 110.6° | 109.5° |
| N12 | C36 | H54 | 108.9° | 109.5° |
| C36 | N12 | C35 | 120.6° | 115.7° |
| H53 | N12 | C35 | 119.7° | 122.1° |
| C37 | C36 | C38 | 111.5° | 109.5° |
| C37 | C36 | H54 | 107.8° | 109.5° |
| C36 | C37 | O18 | 118.7° | 120.3° |
| C36 | C37 | N13 | 120.9° | 119.3° |
| C38 | C36 | H54 | 107.5° | 109.4° |
| C36 | C38 | C39 | 111.5° | 109.5° |
| C36 | C38 | C40 | 109.9° | 109.4° |
| C36 | C38 | H55 | 108.0° | 109.5° |
| O18 | C37 | N13 | 120.5° | 120.4° |
| C39 | C38 | C40 | 110.8° | 109.4° |
| C39 | C38 | H55 | 108.2° | 109.5° |
| C38 | C39 | H56 | 109.5° | 109.5° |
| C38 | C39 | H57 | 109.5° | 109.5° |
| C38 | C39 | H58 | 109.5° | 109.4° |
| C40 | C38 | H55 | 108.5° | 109.5° |
| C38 | C40 | H59 | 109.5° | 109.5° |
| C38 | C40 | H60 | 109.5° | 109.4° |
| C38 | C40 | H61 | 109.5° | 109.5° |
| H56 | C39 | H57 | 109.5° | 109.5° |
| H56 | C39 | H58 | 109.5° | 109.5° |
| H57 | C39 | H58 | 109.4° | 109.5° |
| H59 | C40 | H60 | 109.4° | 109.5° |
| H59 | C40 | H61 | 109.4° | 109.5° |
| H60 | C40 | H61 | 109.5° | 109.5° |
| C41 | N13 | C45 | 110.7° | 109.0° |
| N13 | C41 | C42 | 110.8° | 110.3° |
| N13 | C41 | C43 | 104.2° | 107.8° |
| N13 | C41 | H62 | 111.4° | 109.7° |
| C41 | N13 | C37 | 120.4° | 125.5° |
| N13 | C45 | C44 | 102.1° | 107.7° |
| N13 | C45 | H67 | 111.3° | 109.8° |
| N13 | C45 | H68 | 111.3° | 109.8° |
| C45 | N13 | C37 | 128.4° | 125.5° |
| C42 | C41 | C43 | 110.2° | 109.8° |
| C42 | C41 | H62 | 110.0° | 109.5° |
| C41 | C42 | O19 | 122.7° | 120.3° |
| C41 | C42 | N3 | 112.6° | 119.4° |
| C43 | C41 | H62 | 110.2° | 109.8° |
| C41 | C43 | C44 | 104.3° | 106.1° |
| C41 | C43 | H63 | 110.7° | 110.1° |
| C41 | C43 | H64 | 110.8° | 110.1° |
| O19 | C42 | N3 | 124.5° | 120.3° |
| C44 | C43 | H63 | 110.7° | 110.2° |
| C44 | C43 | H64 | 110.7° | 110.2° |
| C43 | C44 | C45 | 103.1° | 106.0° |
| C43 | C44 | H65 | 111.0° | 110.1° |
| C43 | C44 | H66 | 111.0° | 110.1° |
| H63 | C43 | H64 | 109.5° | 110.2° |
| C45 | C44 | H65 | 111.0° | 110.2° |
| C45 | C44 | H66 | 111.1° | 110.2° |
| C44 | C45 | H67 | 111.3° | 109.9° |
| C44 | C45 | H68 | 111.3° | 109.8° |
| H65 | C44 | H66 | 109.5° | 110.2° |
| H67 | C45 | H68 | 109.5° | 109.8° |
| O20 | C46 | C47 | 121.0° | 120.0° |
| O20 | C46 | N1 | 121.6° | 120.0° |
| C46 | C47 | C48 | 114.4° | 109.4° |
| C46 | C47 | H69 | 108.2° | 109.4° |
| C46 | C47 | H70 | 108.2° | 109.5° |
| C47 | C46 | N1 | 117.3° | 120.0° |
| C48 | C47 | H69 | 108.2° | 109.5° |
| C48 | C47 | H70 | 108.2° | 109.5° |
| C47 | C48 | C49 | 119.1° | 120.0° |
| C47 | C48 | H71 | 120.4° | 120.0° |
| H69 | C47 | H70 | 109.5° | 109.5° |
| C49 | C48 | H71 | 120.5° | 120.0° |
| C48 | C49 | C50 | 121.5° | 120.0° |
| C48 | C49 | H72 | 119.2° | 119.9° |
| C50 | C49 | H72 | 119.3° | 120.0° |
| C49 | C50 | C51 | 110.6° | 109.5° |
| C49 | C50 | H73 | 109.2° | 109.5° |
| C49 | C50 | H74 | 109.2° | 109.5° |
| C51 | C50 | H73 | 109.2° | 109.5° |
| C51 | C50 | H74 | 109.2° | 109.5° |
| C50 | C51 | C52 | 112.8° | 109.5° |
| C50 | C51 | H75 | 108.6° | 109.5° |
| C50 | C51 | H76 | 108.6° | 109.5° |
| H73 | C50 | H74 | 109.5° | 109.4° |
| C52 | C51 | H75 | 108.6° | 109.4° |
| C52 | C51 | H76 | 108.6° | 109.5° |
| C51 | C52 | C53 | 112.6° | 109.5° |
| C51 | C52 | H77 | 108.7° | 109.5° |
| C51 | C52 | H78 | 108.7° | 109.5° |
| H75 | C51 | H76 | 109.5° | 109.4° |
| C53 | C52 | H77 | 108.7° | 109.5° |
| C53 | C52 | H78 | 108.7° | 109.5° |
| C52 | C53 | C54 | 98.4° | 109.4° |
| C52 | C53 | H79 | 112.1° | 109.5° |
| C52 | C53 | H80 | 112.2° | 109.5° |
| H77 | C52 | H78 | 109.4° | 109.4° |
| C54 | C53 | H79 | 112.2° | 109.4° |
| C54 | C53 | H80 | 112.2° | 109.5° |
| C53 | C54 | C55 | 90.0° | 109.5° |
| C53 | C54 | H81 | 90.0° | 109.4° |
| C53 | C54 | H82 | 90.0° | 109.5° |
| H79 | C53 | H80 | 109.5° | 109.5° |
| C55 | C54 | H81 | 90.0° | 109.4° |
| C55 | C54 | H82 | 90.0° | 109.5° |
| C54 | C55 | C56 | 90.0° | 109.5° |
| C54 | C55 | H83 | 90.0° | 109.5° |
| C54 | C55 | H84 | 90.0° | 109.4° |
| H81 | C54 | H82 | 90.0° | 109.5° |
| C56 | C55 | H83 | 90.0° | 109.5° |
| C56 | C55 | H84 | 90.0° | 109.5° |
| C55 | C56 | C57 | 90.0° | 109.5° |
| C55 | C56 | H85 | 90.0° | 109.5° |
| C55 | C56 | H86 | 90.0° | 109.5° |
| H83 | C55 | H84 | 90.0° | 109.5° |
| C57 | C56 | H85 | 90.0° | 109.5° |
| C57 | C56 | H86 | 90.0° | 109.4° |
| C56 | C57 | C58 | 90.0° | 109.5° |
| C56 | C57 | C59 | 90.0° | 109.5° |
| C56 | C57 | H87 | 90.0° | 109.5° |
| H85 | C56 | H86 | 90.0° | 109.5° |
| C58 | C57 | C59 | 90.0° | 109.4° |
| C58 | C57 | H87 | 90.0° | 109.5° |
| C57 | C58 | H88 | 90.0° | 109.5° |
| C57 | C58 | H89 | 90.0° | 109.5° |
| C57 | C58 | H90 | 90.0° | 109.4° |
| C59 | C57 | H87 | 90.0° | 109.4° |
| C57 | C59 | H91 | 90.0° | 109.5° |
| C57 | C59 | H92 | 90.0° | 109.5° |
| C57 | C59 | H93 | 90.0° | 109.5° |
| H88 | C58 | H89 | 90.0° | 109.5° |
| H88 | C58 | H90 | 90.0° | 109.5° |
| H89 | C58 | H90 | 90.0° | 109.4° |
| H91 | C59 | H92 | 90.0° | 109.5° |
| H91 | C59 | H93 | 90.0° | 109.5° |
| H92 | C59 | H93 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C46 | 180.0° | 179.7° |
| N1 | C1 | C2 | C3 | 125.1° | 120.0° |
| N1 | C1 | C2 | H2 | 117.4° | 120.0° |
| N1 | C1 | C3 | H2 | 121.2° | 120.0° |
| N1 | C1 | C2 | O1 | 4.0° | 7.0° |
| N1 | C1 | C3 | C4 | 135.4° | 59.4° |
| N1 | C1 | C3 | H3 | 15.3° | 179.4° |
| N1 | C1 | C3 | H4 | 104.6° | 60.7° |
| C1 | N1 | C46 | O20 | 0.5° | 5.0° |
| C1 | N1 | C46 | C47 | 178.5° | 175.0° |
| N1 | C1 | C2 | N2 | 175.7° | 173.0° |
| H1 | N1 | C1 | C2 | 5.9° | 21.6° |
| H1 | N1 | C1 | C3 | 116.7° | 98.4° |
| H1 | N1 | C1 | H2 | 122.7° | 141.6° |
| H1 | N1 | C46 | O20 | 179.4° | 174.7° |
| H1 | N1 | C46 | C47 | 1.5° | 5.3° |
| C2 | C1 | C3 | H2 | 117.7° | 120.0° |
| C1 | C2 | O1 | N2 | 179.6° | 180.0° |
| C2 | C1 | C3 | C4 | 103.6° | 60.7° |
| C2 | C1 | C3 | H3 | 136.3° | 59.3° |
| C2 | C1 | C3 | H4 | 16.4° | 179.3° |
| C1 | C2 | N2 | C5 | 175.8° | 174.2° |
| C1 | C2 | N2 | H6 | 4.2° | 5.8° |
| C2 | C1 | N1 | C46 | 174.0° | 158.1° |
| C3 | C1 | C2 | O1 | 129.1° | 113.0° |
| C1 | C3 | C4 | H3 | 120.0° | 120.0° |
| C1 | C3 | C4 | H4 | 120.0° | 120.1° |
| C1 | C3 | H3 | H4 | 119.9° | 120.0° |
| C1 | C3 | C4 | O2 | 82.5° | 3.6° |
| C1 | C3 | C4 | O3 | 95.5° | 176.4° |
| C3 | C1 | C2 | N2 | 50.6° | 66.9° |
| C3 | C1 | N1 | C46 | 63.3° | 81.9° |
| H2 | C1 | C2 | O1 | 113.4° | 127.0° |
| H2 | C1 | C3 | C4 | 14.1° | 179.3° |
| H2 | C1 | C3 | H3 | 105.9° | 60.7° |
| H2 | C1 | C3 | H4 | 134.1° | 59.3° |
| H2 | C1 | C2 | N2 | 66.9° | 53.0° |
| H2 | C1 | N1 | C46 | 57.3° | 38.1° |
| O1 | C2 | N2 | C5 | 3.8° | 5.8° |
| O1 | C2 | N2 | H6 | 176.1° | 174.2° |
| C4 | C3 | H3 | H4 | 120.0° | 120.0° |
| C3 | C4 | O2 | O3 | 177.9° | 179.9° |
| C3 | C4 | O3 | H5 | 177.9° | 179.9° |
| H3 | C3 | C4 | O2 | 157.5° | 116.5° |
| H3 | C3 | C4 | O3 | 24.5° | 63.6° |
| H4 | C3 | C4 | O2 | 37.5° | 123.6° |
| H4 | C3 | C4 | O3 | 144.5° | 56.3° |
| O2 | C4 | O3 | H5 | 0.0° | 0.0° |
| C5 | N2 | H6 | C2 | 180.0° | 180.0° |
| N2 | C5 | C6 | C8 | 119.7° | 119.9° |
| N2 | C5 | C6 | H7 | 121.7° | 120.1° |
| N2 | C5 | C8 | H7 | 119.8° | 120.2° |
| N2 | C5 | C6 | C7 | 69.0° | 170.2° |
| N2 | C5 | C6 | N3 | 52.5° | 50.1° |
| N2 | C5 | C6 | H8 | 171.5° | 70.0° |
| N2 | C5 | C8 | O4 | 19.5° | 131.6° |
| N2 | C5 | C8 | N4 | 164.5° | 48.4° |
| H6 | N2 | C5 | C6 | 81.7° | 73.7° |
| H6 | N2 | C5 | C8 | 38.2° | 46.0° |
| H6 | N2 | C5 | H7 | 157.4° | 166.2° |
| C6 | C5 | C8 | H7 | 118.3° | 119.9° |
| C5 | C6 | C7 | N3 | 120.6° | 120.4° |
| C5 | C6 | C7 | H8 | 119.2° | 119.9° |
| C5 | C6 | N3 | H8 | 118.4° | 120.1° |
| C5 | C6 | C7 | H9 | 180.0° | 60.0° |
| C5 | C6 | C7 | H10 | 60.0° | 180.0° |
| C5 | C6 | C7 | H11 | 60.0° | 60.0° |
| C6 | C5 | C8 | O4 | 102.4° | 11.8° |
| C5 | C6 | N3 | H12 | 86.9° | 2.8° |
| C6 | C5 | N2 | C2 | 98.2° | 106.3° |
| C6 | C5 | C8 | N4 | 73.6° | 168.2° |
| C5 | C6 | N3 | C42 | 93.1° | 177.2° |
| C8 | C5 | C6 | C7 | 171.3° | 69.9° |
| C8 | C5 | C6 | N3 | 67.2° | 170.0° |
| C8 | C5 | C6 | H8 | 51.8° | 50.0° |
| C5 | C8 | O4 | N4 | 175.9° | 180.0° |
| C5 | C8 | N4 | C9 | 16.6° | 5.8° |
| C5 | C8 | N4 | C13 | 164.4° | 173.1° |
| C8 | C5 | N2 | C2 | 141.8° | 134.0° |
| H7 | C5 | C6 | C7 | 52.7° | 50.1° |
| H7 | C5 | C6 | N3 | 174.2° | 70.0° |
| H7 | C5 | C6 | H8 | 66.8° | 169.9° |
| H7 | C5 | C8 | O4 | 139.4° | 108.2° |
| H7 | C5 | N2 | C2 | 22.7° | 13.8° |
| H7 | C5 | C8 | N4 | 44.6° | 71.8° |
| C7 | C6 | N3 | H8 | 119.9° | 119.8° |
| C6 | C7 | H9 | H10 | 120.1° | 120.0° |
| C6 | C7 | H9 | H11 | 120.0° | 120.0° |
| C6 | C7 | H10 | H11 | 120.0° | 120.1° |
| C7 | C6 | N3 | H12 | 34.9° | 117.3° |
| C7 | C6 | N3 | C42 | 145.1° | 62.8° |
| N3 | C6 | C7 | H9 | 59.4° | 60.4° |
| N3 | C6 | C7 | H10 | 179.4° | 59.6° |
| N3 | C6 | C7 | H11 | 60.6° | 179.7° |
| C6 | N3 | H12 | C42 | 180.0° | 180.0° |
| C6 | N3 | C42 | C41 | 178.4° | 177.7° |
| C6 | N3 | C42 | O19 | 6.7° | 2.3° |
| H8 | C6 | C7 | H9 | 60.8° | 179.8° |
| H8 | C6 | C7 | H10 | 59.2° | 60.2° |
| H8 | C6 | C7 | H11 | 179.2° | 59.9° |
| H8 | C6 | N3 | H12 | 154.8° | 122.9° |
| H8 | C6 | N3 | C42 | 25.3° | 57.0° |
| H9 | C7 | H10 | H11 | 119.9° | 119.9° |
| O4 | C8 | N4 | C9 | 167.5° | 174.2° |
| O4 | C8 | N4 | C13 | 11.5° | 6.9° |
| H12 | N3 | C42 | C41 | 1.6° | 2.3° |
| H12 | N3 | C42 | O19 | 173.3° | 177.6° |
| C9 | N4 | C13 | C8 | 179.1° | 178.9° |
| N4 | C9 | C10 | H13 | 120.2° | 120.1° |
| N4 | C9 | C10 | H14 | 120.1° | 120.1° |
| N4 | C9 | H13 | H14 | 119.5° | 119.8° |
| N4 | C9 | C10 | C11 | 55.9° | 53.3° |
| N4 | C9 | C10 | H15 | 176.0° | 173.2° |
| N4 | C9 | C10 | H16 | 64.1° | 66.5° |
| C9 | N4 | C13 | C12 | 49.0° | 48.5° |
| C9 | N4 | C13 | C14 | 76.2° | 73.0° |
| C9 | N4 | C13 | H21 | 165.1° | 167.8° |
| C13 | N4 | C9 | C10 | 51.9° | 49.4° |
| C13 | N4 | C9 | H13 | 68.3° | 70.8° |
| C13 | N4 | C9 | H14 | 172.0° | 169.5° |
| N4 | C13 | C12 | C11 | 51.6° | 51.9° |
| N4 | C13 | C12 | C14 | 127.4° | 121.0° |
| N4 | C13 | C12 | H21 | 116.4° | 119.2° |
| N4 | C13 | C12 | H19 | 171.9° | 172.0° |
| N4 | C13 | C12 | H20 | 68.7° | 68.3° |
| N4 | C13 | C14 | H21 | 118.9° | 119.0° |
| N4 | C13 | C14 | O5 | 163.6° | 49.0° |
| N4 | C13 | C14 | N5 | 21.6° | 130.9° |
| C10 | C9 | H13 | H14 | 119.5° | 119.9° |
| C9 | C10 | C11 | H15 | 120.0° | 119.9° |
| C9 | C10 | C11 | H16 | 120.0° | 119.9° |
| C9 | C10 | H15 | H16 | 119.9° | 120.2° |
| C9 | C10 | C11 | C12 | 60.9° | 61.8° |
| C9 | C10 | C11 | H17 | 59.1° | 58.2° |
| C9 | C10 | C11 | H18 | 179.0° | 178.2° |
| C10 | C9 | N4 | C8 | 129.1° | 131.8° |
| H13 | C9 | C10 | C11 | 64.2° | 66.8° |
| H13 | C9 | C10 | H15 | 55.8° | 53.1° |
| H13 | C9 | C10 | H16 | 175.7° | 173.4° |
| H13 | C9 | N4 | C8 | 110.7° | 108.1° |
| H14 | C9 | C10 | C11 | 176.1° | 173.4° |
| H14 | C9 | C10 | H15 | 63.9° | 66.7° |
| H14 | C9 | C10 | H16 | 56.1° | 53.6° |
| H14 | C9 | N4 | C8 | 8.9° | 11.7° |
| C11 | C10 | H15 | H16 | 119.9° | 120.1° |
| C10 | C11 | C12 | H17 | 120.0° | 119.9° |
| C10 | C11 | C12 | H18 | 120.0° | 120.0° |
| C10 | C11 | H17 | H18 | 119.9° | 120.0° |
| C10 | C11 | C12 | C13 | 59.1° | 61.3° |
| C10 | C11 | C12 | H19 | 179.4° | 178.6° |
| C10 | C11 | C12 | H20 | 61.2° | 58.8° |
| H15 | C10 | C11 | C12 | 179.0° | 178.3° |
| H15 | C10 | C11 | H17 | 60.9° | 61.8° |
| H15 | C10 | C11 | H18 | 59.0° | 58.2° |
| H16 | C10 | C11 | C12 | 59.1° | 58.1° |
| H16 | C10 | C11 | H17 | 179.1° | 178.0° |
| H16 | C10 | C11 | H18 | 61.0° | 61.9° |
| C12 | C11 | H17 | H18 | 119.9° | 120.0° |
| C11 | C12 | C13 | H19 | 120.3° | 120.1° |
| C11 | C12 | C13 | H20 | 120.3° | 120.1° |
| C11 | C12 | H19 | H20 | 119.2° | 119.8° |
| C11 | C12 | C13 | C14 | 75.8° | 69.1° |
| C11 | C12 | C13 | H21 | 168.0° | 171.0° |
| H17 | C11 | C12 | C13 | 61.0° | 58.6° |
| H17 | C11 | C12 | H19 | 59.3° | 61.5° |
| H17 | C11 | C12 | H20 | 178.7° | 178.8° |
| H18 | C11 | C12 | C13 | 179.1° | 178.7° |
| H18 | C11 | C12 | H19 | 60.6° | 58.6° |
| H18 | C11 | C12 | H20 | 58.8° | 61.2° |
| C13 | C12 | H19 | H20 | 119.1° | 119.8° |
| C12 | C13 | C14 | H21 | 116.2° | 119.8° |
| C12 | C13 | C14 | O5 | 38.6° | 72.1° |
| C12 | C13 | N4 | C8 | 132.0° | 132.6° |
| C12 | C13 | C14 | N5 | 146.6° | 107.9° |
| H19 | C12 | C13 | C14 | 44.5° | 51.0° |
| H19 | C12 | C13 | H21 | 71.7° | 68.8° |
| H20 | C12 | C13 | C14 | 163.9° | 170.7° |
| H20 | C12 | C13 | H21 | 47.7° | 50.9° |
| C13 | C14 | O5 | N5 | 174.6° | 180.0° |
| C13 | C14 | N5 | C16 | 177.5° | 176.9° |
| C13 | C14 | N5 | H23 | 2.5° | 3.2° |
| C14 | C13 | N4 | C8 | 102.8° | 105.9° |
| H21 | C13 | C14 | O5 | 77.5° | 168.0° |
| H21 | C13 | N4 | C8 | 15.9° | 13.3° |
| H21 | C13 | C14 | N5 | 97.3° | 11.9° |
| O5 | C14 | N5 | C16 | 2.5° | 3.1° |
| O5 | C14 | N5 | H23 | 177.4° | 176.9° |
| O6 | C15 | C16 | N6 | 176.7° | 179.9° |
| O6 | C15 | C16 | N5 | 150.0° | 13.0° |
| O6 | C15 | C16 | C17 | 23.5° | 106.8° |
| O6 | C15 | C16 | H22 | 91.8° | 132.6° |
| O6 | C15 | N6 | C20 | 9.9° | 0.8° |
| O6 | C15 | N6 | H29 | 170.1° | 179.3° |
| C15 | C16 | N5 | C17 | 125.3° | 119.7° |
| C15 | C16 | N5 | H22 | 117.8° | 119.7° |
| C15 | C16 | C17 | H22 | 115.7° | 120.6° |
| C15 | C16 | N5 | H23 | 117.6° | 9.8° |
| C15 | C16 | C17 | C18 | 65.5° | 55.0° |
| C15 | C16 | C17 | C19 | 169.9° | 65.0° |
| C15 | C16 | C17 | H24 | 51.4° | 175.0° |
| C16 | C15 | N6 | C20 | 173.5° | 179.1° |
| C16 | C15 | N6 | H29 | 6.5° | 0.8° |
| C15 | C16 | N5 | C14 | 62.3° | 170.2° |
| N5 | C16 | C17 | H22 | 117.7° | 120.6° |
| C16 | N5 | H23 | C14 | 180.0° | 180.0° |
| N5 | C16 | C17 | C18 | 167.9° | 63.8° |
| N5 | C16 | C17 | C19 | 43.2° | 176.1° |
| N5 | C16 | C17 | H24 | 75.2° | 56.1° |
| N5 | C16 | C15 | N6 | 33.3° | 167.1° |
| C17 | C16 | N5 | H23 | 117.1° | 109.9° |
| C16 | C17 | C18 | C19 | 125.1° | 120.0° |
| C16 | C17 | C18 | H24 | 116.8° | 120.0° |
| C16 | C17 | C19 | H24 | 118.1° | 120.0° |
| C16 | C17 | C18 | O7 | 40.8° | 60.0° |
| C16 | C17 | C18 | O8 | 140.5° | 120.0° |
| C16 | C17 | C19 | H25 | 180.0° | 60.0° |
| C16 | C17 | C19 | H26 | 60.0° | 180.0° |
| C16 | C17 | C19 | H27 | 60.0° | 60.0° |
| C17 | C16 | N5 | C14 | 63.0° | 70.1° |
| C17 | C16 | C15 | N6 | 159.8° | 73.2° |
| H22 | C16 | N5 | H23 | 0.2° | 129.5° |
| H22 | C16 | C17 | C18 | 50.2° | 175.6° |
| H22 | C16 | C17 | C19 | 74.4° | 55.6° |
| H22 | C16 | C17 | H24 | 167.1° | 64.4° |
| H22 | C16 | N5 | C14 | 179.9° | 50.5° |
| H22 | C16 | C15 | N6 | 84.9° | 47.4° |
| C18 | C17 | C19 | H24 | 117.9° | 120.0° |
| C17 | C18 | O7 | O8 | 178.7° | 180.0° |
| C18 | C17 | C19 | H25 | 56.0° | 180.0° |
| C18 | C17 | C19 | H26 | 64.1° | 60.0° |
| C18 | C17 | C19 | H27 | 176.0° | 60.0° |
| C17 | C18 | O7 | H28 | 178.7° | 180.0° |
| C19 | C17 | C18 | O7 | 84.2° | 180.0° |
| C19 | C17 | C18 | O8 | 94.4° | 0.0° |
| C17 | C19 | H25 | H26 | 120.0° | 120.0° |
| C17 | C19 | H25 | H27 | 120.0° | 120.0° |
| C17 | C19 | H26 | H27 | 120.0° | 119.9° |
| H24 | C17 | C18 | O7 | 157.6° | 60.0° |
| H24 | C17 | C18 | O8 | 23.7° | 120.0° |
| H24 | C17 | C19 | H25 | 61.9° | 60.0° |
| H24 | C17 | C19 | H26 | 178.1° | 60.0° |
| H24 | C17 | C19 | H27 | 58.1° | 180.0° |
| O8 | C18 | O7 | H28 | 0.0° | 0.0° |
| H25 | C19 | H26 | H27 | 120.0° | 120.1° |
| C20 | N6 | H29 | C15 | 180.0° | 179.9° |
| N6 | C20 | C21 | C22 | 125.0° | 119.8° |
| N6 | C20 | C21 | H30 | 119.3° | 119.9° |
| N6 | C20 | C22 | H30 | 119.3° | 120.3° |
| N6 | C20 | C21 | O9 | 162.4° | 18.5° |
| N6 | C20 | C22 | C23 | 73.4° | 53.8° |
| N6 | C20 | C22 | H31 | 166.2° | 173.7° |
| N6 | C20 | C22 | H32 | 47.0° | 66.3° |
| N6 | C20 | C21 | N7 | 17.5° | 161.4° |
| H29 | N6 | C20 | C21 | 47.8° | 34.4° |
| H29 | N6 | C20 | C22 | 74.7° | 154.2° |
| H29 | N6 | C20 | H30 | 166.6° | 85.4° |
| C21 | C20 | C22 | H30 | 115.9° | 120.3° |
| C20 | C21 | O9 | N7 | 179.9° | 179.9° |
| C21 | C20 | C22 | C23 | 51.4° | 65.6° |
| C21 | C20 | C22 | H31 | 69.0° | 54.3° |
| C21 | C20 | C22 | H32 | 171.8° | 174.3° |
| C20 | C21 | N7 | C24 | 178.9° | 179.3° |
| C20 | C21 | N7 | H34 | 1.1° | 0.5° |
| C21 | C20 | N6 | C15 | 132.3° | 145.7° |
| C22 | C20 | C21 | O9 | 37.4° | 138.3° |
| C20 | C22 | C23 | H31 | 120.4° | 120.0° |
| C20 | C22 | C23 | H32 | 120.4° | 120.0° |
| C20 | C22 | H31 | H32 | 118.9° | 120.0° |
| C20 | C22 | C23 | O10 | 34.0° | 6.6° |
| C20 | C22 | C23 | O11 | 145.0° | 173.3° |
| C22 | C20 | N6 | C15 | 105.3° | 25.9° |
| C22 | C20 | C21 | N7 | 142.5° | 41.6° |
| H30 | C20 | C21 | O9 | 78.3° | 101.3° |
| H30 | C20 | C22 | C23 | 167.3° | 174.1° |
| H30 | C20 | C22 | H31 | 46.9° | 66.0° |
| H30 | C20 | C22 | H32 | 72.3° | 54.0° |
| H30 | C20 | N6 | C15 | 13.4° | 94.5° |
| H30 | C20 | C21 | N7 | 101.8° | 78.7° |
| O9 | C21 | N7 | C24 | 1.0° | 0.7° |
| O9 | C21 | N7 | H34 | 179.0° | 179.4° |
| C23 | C22 | H31 | H32 | 118.9° | 120.1° |
| C22 | C23 | O10 | O11 | 179.0° | 179.9° |
| C22 | C23 | O11 | H33 | 179.0° | 180.0° |
| H31 | C22 | C23 | O10 | 154.4° | 113.4° |
| H31 | C22 | C23 | O11 | 24.7° | 66.7° |
| H32 | C22 | C23 | O10 | 86.4° | 126.6° |
| H32 | C22 | C23 | O11 | 94.6° | 53.3° |
| O10 | C23 | O11 | H33 | 0.0° | 0.0° |
| C24 | N7 | H34 | C21 | 180.0° | 179.9° |
| N7 | C24 | C25 | H35 | 120.7° | 119.8° |
| N7 | C24 | C25 | H36 | 120.7° | 119.9° |
| N7 | C24 | H35 | H36 | 117.9° | 120.4° |
| N7 | C24 | C25 | O12 | 3.4° | 33.9° |
| N7 | C24 | C25 | N8 | 173.0° | 146.1° |
| H34 | N7 | C24 | C25 | 84.7° | 46.5° |
| H34 | N7 | C24 | H35 | 36.0° | 166.3° |
| H34 | N7 | C24 | H36 | 154.6° | 73.3° |
| C25 | C24 | H35 | H36 | 117.9° | 120.3° |
| C24 | C25 | O12 | N8 | 176.1° | 179.9° |
| C24 | C25 | N8 | C26 | 174.3° | 179.6° |
| C24 | C25 | N8 | H37 | 5.8° | 0.4° |
| C25 | C24 | N7 | C21 | 95.3° | 133.6° |
| H35 | C24 | C25 | O12 | 124.0° | 153.7° |
| H35 | C24 | N7 | C21 | 144.0° | 13.8° |
| H35 | C24 | C25 | N8 | 52.3° | 26.3° |
| H36 | C24 | C25 | O12 | 117.3° | 86.0° |
| H36 | C24 | N7 | C21 | 25.3° | 106.6° |
| H36 | C24 | C25 | N8 | 66.4° | 94.1° |
| O12 | C25 | N8 | C26 | 2.2° | 0.5° |
| O12 | C25 | N8 | H37 | 177.8° | 179.6° |
| C26 | N8 | H37 | C25 | 180.0° | 180.0° |
| N8 | C26 | C27 | C28 | 121.0° | 119.7° |
| N8 | C26 | C27 | H38 | 119.5° | 119.8° |
| N8 | C26 | C28 | H38 | 121.7° | 120.4° |
| N8 | C26 | C27 | O13 | 44.8° | 23.4° |
| N8 | C26 | C28 | C29 | 175.7° | 56.8° |
| N8 | C26 | C28 | H39 | 55.1° | 176.8° |
| N8 | C26 | C28 | H40 | 63.8° | 63.1° |
| N8 | C26 | C27 | N9 | 135.3° | 156.6° |
| H37 | N8 | C26 | C27 | 119.3° | 39.1° |
| H37 | N8 | C26 | C28 | 0.7° | 158.9° |
| H37 | N8 | C26 | H38 | 121.9° | 80.7° |
| C27 | C26 | C28 | H38 | 119.5° | 120.4° |
| C26 | C27 | O13 | N9 | 179.9° | 180.0° |
| C27 | C26 | C28 | C29 | 65.6° | 62.4° |
| C27 | C26 | C28 | H39 | 173.9° | 57.6° |
| C27 | C26 | C28 | H40 | 55.0° | 177.7° |
| C26 | C27 | N9 | C30 | 177.0° | 178.9° |
| C26 | C27 | N9 | H42 | 3.0° | 1.1° |
| C27 | C26 | N8 | C25 | 60.7° | 140.9° |
| C28 | C26 | C27 | O13 | 76.2° | 143.2° |
| C26 | C28 | C29 | H39 | 120.6° | 120.0° |
| C26 | C28 | C29 | H40 | 120.5° | 120.0° |
| C26 | C28 | H39 | H40 | 118.3° | 120.1° |
| C26 | C28 | C29 | O14 | 127.9° | 6.6° |
| C26 | C28 | C29 | O15 | 52.9° | 173.4° |
| C28 | C26 | N8 | C25 | 179.3° | 21.2° |
| C28 | C26 | C27 | N9 | 103.7° | 36.8° |
| H38 | C26 | C27 | O13 | 164.3° | 96.3° |
| H38 | C26 | C28 | C29 | 53.9° | 177.2° |
| H38 | C26 | C28 | H39 | 66.6° | 62.8° |
| H38 | C26 | C28 | H40 | 174.4° | 57.3° |
| H38 | C26 | N8 | C25 | 58.1° | 99.3° |
| H38 | C26 | C27 | N9 | 15.8° | 83.7° |
| O13 | C27 | N9 | C30 | 3.1° | 1.1° |
| O13 | C27 | N9 | H42 | 176.9° | 179.0° |
| C29 | C28 | H39 | H40 | 118.3° | 119.9° |
| C28 | C29 | O14 | O15 | 179.1° | 179.9° |
| C28 | C29 | O15 | H41 | 179.1° | 180.0° |
| H39 | C28 | C29 | O14 | 111.5° | 113.5° |
| H39 | C28 | C29 | O15 | 67.6° | 66.6° |
| H40 | C28 | C29 | O14 | 7.4° | 126.6° |
| H40 | C28 | C29 | O15 | 173.5° | 53.4° |
| O14 | C29 | O15 | H41 | 0.0° | 0.1° |
| C30 | N9 | H42 | C27 | 180.0° | 180.0° |
| N9 | C30 | C31 | H43 | 120.2° | 119.7° |
| N9 | C30 | C31 | H44 | 120.2° | 119.6° |
| N9 | C30 | H43 | H44 | 119.5° | 120.6° |
| N9 | C30 | C31 | O16 | 39.2° | 31.8° |
| N9 | C30 | C31 | N10 | 141.4° | 148.1° |
| H42 | N9 | C30 | C31 | 115.5° | 42.5° |
| H42 | N9 | C30 | H43 | 4.6° | 162.2° |
| H42 | N9 | C30 | H44 | 124.3° | 77.1° |
| C31 | C30 | H43 | H44 | 119.5° | 120.6° |
| C30 | C31 | O16 | N10 | 179.3° | 179.9° |
| C30 | C31 | N10 | C32 | 174.6° | 178.2° |
| C30 | C31 | N10 | H45 | 5.4° | 1.9° |
| C31 | C30 | N9 | C27 | 64.5° | 137.5° |
| H43 | C30 | C31 | O16 | 80.9° | 151.5° |
| H43 | C30 | C31 | N10 | 98.4° | 28.4° |
| H43 | C30 | N9 | C27 | 175.4° | 17.8° |
| H44 | C30 | C31 | O16 | 159.4° | 87.8° |
| H44 | C30 | C31 | N10 | 21.3° | 92.3° |
| H44 | C30 | N9 | C27 | 55.7° | 102.9° |
| O16 | C31 | N10 | C32 | 4.7° | 1.7° |
| O16 | C31 | N10 | H45 | 175.3° | 178.2° |
| C32 | N10 | H45 | C31 | 180.0° | 179.9° |
| N10 | C32 | C33 | C35 | 120.7° | 120.0° |
| N10 | C32 | C33 | H46 | 119.3° | 120.0° |
| N10 | C32 | C35 | H46 | 120.0° | 120.0° |
| N10 | C32 | C33 | C34 | 175.4° | 51.1° |
| N10 | C32 | C33 | N11 | 60.2° | 68.8° |
| N10 | C32 | C33 | H47 | 57.9° | 171.2° |
| N10 | C32 | C35 | O17 | 52.8° | 40.0° |
| N10 | C32 | C35 | N12 | 129.6° | 140.1° |
| H45 | N10 | C32 | C33 | 1.0° | 109.6° |
| H45 | N10 | C32 | C35 | 122.8° | 10.4° |
| H45 | N10 | C32 | H46 | 117.6° | 130.3° |
| C33 | C32 | C35 | H46 | 119.7° | 120.0° |
| C32 | C33 | C34 | N11 | 123.8° | 119.9° |
| C32 | C33 | C34 | H47 | 117.3° | 120.1° |
| C32 | C33 | N11 | H47 | 117.6° | 120.1° |
| C32 | C33 | C34 | H48 | 180.0° | 63.6° |
| C32 | C33 | C34 | H49 | 60.0° | 176.4° |
| C32 | C33 | C34 | H50 | 60.0° | 56.4° |
| C33 | C32 | C35 | O17 | 67.5° | 80.1° |
| C32 | C33 | N11 | H51 | 180.0° | 77.0° |
| C32 | C33 | N11 | H52 | 60.0° | 47.0° |
| C33 | C32 | N10 | C31 | 179.0° | 70.3° |
| C33 | C32 | C35 | N12 | 110.1° | 99.8° |
| C35 | C32 | C33 | C34 | 63.9° | 68.8° |
| C35 | C32 | C33 | N11 | 60.5° | 171.3° |
| C35 | C32 | C33 | H47 | 178.6° | 51.2° |
| C32 | C35 | O17 | N12 | 177.6° | 179.9° |
| C32 | C35 | N12 | C36 | 175.7° | 174.8° |
| C32 | C35 | N12 | H53 | 4.3° | 5.3° |
| C35 | C32 | N10 | C31 | 57.2° | 169.7° |
| H46 | C32 | C33 | C34 | 56.1° | 171.2° |
| H46 | C32 | C33 | N11 | 179.5° | 51.3° |
| H46 | C32 | C33 | H47 | 61.4° | 68.8° |
| H46 | C32 | C35 | O17 | 172.8° | 159.9° |
| H46 | C32 | N10 | C31 | 62.4° | 49.7° |
| H46 | C32 | C35 | N12 | 9.6° | 20.2° |
| C34 | C33 | N11 | H47 | 118.7° | 120.0° |
| C33 | C34 | H48 | H49 | 120.0° | 120.0° |
| C33 | C34 | H48 | H50 | 120.0° | 120.0° |
| C33 | C34 | H49 | H50 | 120.0° | 120.0° |
| C34 | C33 | N11 | H51 | 56.3° | 43.0° |
| C34 | C33 | N11 | H52 | 63.7° | 167.0° |
| N11 | C33 | C34 | H48 | 56.2° | 56.3° |
| N11 | C33 | C34 | H49 | 176.2° | 63.7° |
| N11 | C33 | C34 | H50 | 63.8° | 176.4° |
| C33 | N11 | H51 | H52 | 120.0° | 124.0° |
| H47 | C33 | C34 | H48 | 62.7° | 176.3° |
| H47 | C33 | C34 | H49 | 57.3° | 56.3° |
| H47 | C33 | C34 | H50 | 177.3° | 63.7° |
| H47 | C33 | N11 | H51 | 62.4° | 162.9° |
| H47 | C33 | N11 | H52 | 177.6° | 73.1° |
| H48 | C34 | H49 | H50 | 120.0° | 120.0° |
| O17 | C35 | N12 | C36 | 6.6° | 5.2° |
| O17 | C35 | N12 | H53 | 173.4° | 174.8° |
| C36 | N12 | H53 | C35 | 180.0° | 180.0° |
| N12 | C36 | C37 | C38 | 123.4° | 120.1° |
| N12 | C36 | C37 | H54 | 118.9° | 120.0° |
| N12 | C36 | C38 | H54 | 118.7° | 120.0° |
| N12 | C36 | C37 | O18 | 46.7° | 36.5° |
| N12 | C36 | C38 | C39 | 179.7° | 61.9° |
| N12 | C36 | C38 | C40 | 57.1° | 58.0° |
| N12 | C36 | C38 | H55 | 61.0° | 178.0° |
| N12 | C36 | C37 | N13 | 132.4° | 143.4° |
| H53 | N12 | C36 | C37 | 114.6° | 46.2° |
| H53 | N12 | C36 | C38 | 9.2° | 73.8° |
| H53 | N12 | C36 | H54 | 127.1° | 166.2° |
| C37 | C36 | C38 | H54 | 118.0° | 120.0° |
| C36 | C37 | O18 | N13 | 179.1° | 179.9° |
| C37 | C36 | C38 | C39 | 56.4° | 178.1° |
| C37 | C36 | C38 | C40 | 179.6° | 62.0° |
| C37 | C36 | C38 | H55 | 62.3° | 58.0° |
| C36 | C37 | N13 | C41 | 176.9° | 173.0° |
| C36 | C37 | N13 | C45 | 11.8° | 7.0° |
| C37 | C36 | N12 | C35 | 65.4° | 133.7° |
| C38 | C36 | C37 | O18 | 76.6° | 156.6° |
| C36 | C38 | C39 | C40 | 122.6° | 119.9° |
| C36 | C38 | C39 | H55 | 118.6° | 120.1° |
| C36 | C38 | C40 | H55 | 117.8° | 120.0° |
| C36 | C38 | C39 | H56 | 180.0° | 55.5° |
| C36 | C38 | C39 | H57 | 60.0° | 175.5° |
| C36 | C38 | C39 | H58 | 60.0° | 64.5° |
| C36 | C38 | C40 | H59 | 180.0° | 51.5° |
| C36 | C38 | C40 | H60 | 60.0° | 171.5° |
| C36 | C38 | C40 | H61 | 60.0° | 68.5° |
| C38 | C36 | N12 | C35 | 170.8° | 106.2° |
| C38 | C36 | C37 | N13 | 104.3° | 23.3° |
| H54 | C36 | C37 | O18 | 165.6° | 83.5° |
| H54 | C36 | C38 | C39 | 61.6° | 58.1° |
| H54 | C36 | C38 | C40 | 61.6° | 178.0° |
| H54 | C36 | C38 | H55 | 179.7° | 62.0° |
| H54 | C36 | N12 | C35 | 52.9° | 13.8° |
| H54 | C36 | C37 | N13 | 13.5° | 96.7° |
| O18 | C37 | N13 | C41 | 4.0° | 7.1° |
| O18 | C37 | N13 | C45 | 167.3° | 172.9° |
| C39 | C38 | C40 | H55 | 118.6° | 120.0° |
| C38 | C39 | H56 | H57 | 120.0° | 120.0° |
| C38 | C39 | H56 | H58 | 120.0° | 119.9° |
| C38 | C39 | H57 | H58 | 120.0° | 119.9° |
| C39 | C38 | C40 | H59 | 56.4° | 171.5° |
| C39 | C38 | C40 | H60 | 63.6° | 68.5° |
| C39 | C38 | C40 | H61 | 176.4° | 51.5° |
| C40 | C38 | C39 | H56 | 57.4° | 64.4° |
| C40 | C38 | C39 | H57 | 177.3° | 55.6° |
| C40 | C38 | C39 | H58 | 62.7° | 175.6° |
| C38 | C40 | H59 | H60 | 120.0° | 120.0° |
| C38 | C40 | H59 | H61 | 120.0° | 120.0° |
| C38 | C40 | H60 | H61 | 120.0° | 120.0° |
| H55 | C38 | C39 | H56 | 61.4° | 175.6° |
| H55 | C38 | C39 | H57 | 58.6° | 64.4° |
| H55 | C38 | C39 | H58 | 178.6° | 55.6° |
| H55 | C38 | C40 | H59 | 62.2° | 68.5° |
| H55 | C38 | C40 | H60 | 177.9° | 51.5° |
| H55 | C38 | C40 | H61 | 57.8° | 171.5° |
| H56 | C39 | H57 | H58 | 120.0° | 120.1° |
| H59 | C40 | H60 | H61 | 120.0° | 120.0° |
| C41 | N13 | C45 | C37 | 172.0° | 180.0° |
| N13 | C41 | C42 | C43 | 114.8° | 118.6° |
| N13 | C41 | C42 | H62 | 123.6° | 120.8° |
| N13 | C41 | C43 | H62 | 119.6° | 119.4° |
| N13 | C41 | C42 | O19 | 23.9° | 27.2° |
| N13 | C41 | C43 | C44 | 27.1° | 10.2° |
| N13 | C41 | C43 | H63 | 92.1° | 108.9° |
| N13 | C41 | C43 | H64 | 146.3° | 129.4° |
| C41 | N13 | C45 | C44 | 19.3° | 19.1° |
| C41 | N13 | C45 | H67 | 138.1° | 100.5° |
| C41 | N13 | C45 | H68 | 99.5° | 138.7° |
| N13 | C41 | C42 | N3 | 161.2° | 152.7° |
| C45 | N13 | C41 | C42 | 122.8° | 138.2° |
| C45 | N13 | C41 | C43 | 4.3° | 18.3° |
| C45 | N13 | C41 | H62 | 114.5° | 101.1° |
| N13 | C45 | C44 | C43 | 35.6° | 12.1° |
| N13 | C45 | C44 | H67 | 118.8° | 119.6° |
| N13 | C45 | C44 | H68 | 118.8° | 119.5° |
| N13 | C45 | C44 | H65 | 154.6° | 107.0° |
| N13 | C45 | C44 | H66 | 83.4° | 131.2° |
| N13 | C45 | H67 | H68 | 123.4° | 120.8° |
| C42 | C41 | C43 | H62 | 121.5° | 120.4° |
| C41 | C42 | O19 | N3 | 174.4° | 180.0° |
| C42 | C41 | C43 | C44 | 146.0° | 130.4° |
| C42 | C41 | C43 | H63 | 26.9° | 11.2° |
| C42 | C41 | C43 | H64 | 94.8° | 110.4° |
| C42 | C41 | N13 | C37 | 64.5° | 41.8° |
| C43 | C41 | C42 | O19 | 90.9° | 91.4° |
| C41 | C43 | C44 | H63 | 119.2° | 119.1° |
| C41 | C43 | C44 | H64 | 119.2° | 119.1° |
| C41 | C43 | H63 | H64 | 122.4° | 121.6° |
| C41 | C43 | C44 | C45 | 39.1° | 1.1° |
| C41 | C43 | C44 | H65 | 158.1° | 118.0° |
| C41 | C43 | C44 | H66 | 79.9° | 120.3° |
| C43 | C41 | C42 | N3 | 84.0° | 88.7° |
| C43 | C41 | N13 | C37 | 177.0° | 161.7° |
| H62 | C41 | C42 | O19 | 147.5° | 148.0° |
| H62 | C41 | C43 | C44 | 92.5° | 109.1° |
| H62 | C41 | C43 | H63 | 148.3° | 131.7° |
| H62 | C41 | C43 | H64 | 26.7° | 10.0° |
| H62 | C41 | C42 | N3 | 37.6° | 31.9° |
| H62 | C41 | N13 | C37 | 58.3° | 78.9° |
| C44 | C43 | H63 | H64 | 122.4° | 121.7° |
| C43 | C44 | C45 | H65 | 119.0° | 119.1° |
| C43 | C44 | C45 | H66 | 119.0° | 119.1° |
| C43 | C44 | H65 | H66 | 122.9° | 121.7° |
| C43 | C44 | C45 | H67 | 154.4° | 107.5° |
| C43 | C44 | C45 | H68 | 83.2° | 131.7° |
| H63 | C43 | C44 | C45 | 80.0° | 120.3° |
| H63 | C43 | C44 | H65 | 38.9° | 1.1° |
| H63 | C43 | C44 | H66 | 161.0° | 120.6° |
| H64 | C43 | C44 | C45 | 158.3° | 118.0° |
| H64 | C43 | C44 | H65 | 82.7° | 122.9° |
| H64 | C43 | C44 | H66 | 39.3° | 1.2° |
| C45 | C44 | H65 | H66 | 123.0° | 121.7° |
| C44 | C45 | H67 | H68 | 123.4° | 120.9° |
| C44 | C45 | N13 | C37 | 152.7° | 160.9° |
| H65 | C44 | C45 | H67 | 86.6° | 133.4° |
| H65 | C44 | C45 | H68 | 35.8° | 12.5° |
| H66 | C44 | C45 | H67 | 35.4° | 11.7° |
| H66 | C44 | C45 | H68 | 157.8° | 109.2° |
| H67 | C45 | N13 | C37 | 33.9° | 79.4° |
| H68 | C45 | N13 | C37 | 88.5° | 41.4° |
| O20 | C46 | C47 | N1 | 179.1° | 180.0° |
| O20 | C46 | C47 | C48 | 160.7° | 0.0° |
| O20 | C46 | C47 | H69 | 78.6° | 120.0° |
| O20 | C46 | C47 | H70 | 40.0° | 120.0° |
| C46 | C47 | C48 | H69 | 120.8° | 120.0° |
| C46 | C47 | C48 | H70 | 120.7° | 120.0° |
| C46 | C47 | H69 | H70 | 117.7° | 120.0° |
| C46 | C47 | C48 | C49 | 80.9° | 125.0° |
| C46 | C47 | C48 | H71 | 99.1° | 55.0° |
| C48 | C47 | H69 | H70 | 117.7° | 120.0° |
| C47 | C48 | C49 | H71 | 180.0° | 180.0° |
| C47 | C48 | C49 | C50 | 0.7° | 4.4° |
| C47 | C48 | C49 | H72 | 179.3° | 175.7° |
| C48 | C47 | C46 | N1 | 20.2° | 180.0° |
| H69 | C47 | C48 | C49 | 158.3° | 5.0° |
| H69 | C47 | C48 | H71 | 21.7° | 175.0° |
| H69 | C47 | C46 | N1 | 100.5° | 60.0° |
| H70 | C47 | C48 | C49 | 39.8° | 115.0° |
| H70 | C47 | C48 | H71 | 140.2° | 64.9° |
| H70 | C47 | C46 | N1 | 140.9° | 60.0° |
| C48 | C49 | C50 | H72 | 180.0° | 179.9° |
| C48 | C49 | C50 | C51 | 164.1° | 125.0° |
| C48 | C49 | C50 | H73 | 43.9° | 115.0° |
| C48 | C49 | C50 | H74 | 75.7° | 5.0° |
| H71 | C48 | C49 | C50 | 179.3° | 175.6° |
| H71 | C48 | C49 | H72 | 0.7° | 4.3° |
| C49 | C50 | C51 | H73 | 120.2° | 120.0° |
| C49 | C50 | C51 | H74 | 120.2° | 120.0° |
| C49 | C50 | H73 | H74 | 119.5° | 120.0° |
| C49 | C50 | C51 | C52 | 111.5° | 180.0° |
| C49 | C50 | C51 | H75 | 128.0° | 60.0° |
| C49 | C50 | C51 | H76 | 9.0° | 60.0° |
| H72 | C49 | C50 | C51 | 15.9° | 54.9° |
| H72 | C49 | C50 | H73 | 136.0° | 65.1° |
| H72 | C49 | C50 | H74 | 104.3° | 174.9° |
| C51 | C50 | H73 | H74 | 119.5° | 120.0° |
| C50 | C51 | C52 | H75 | 120.5° | 120.1° |
| C50 | C51 | C52 | H76 | 120.5° | 120.0° |
| C50 | C51 | H75 | H76 | 118.5° | 120.0° |
| C50 | C51 | C52 | C53 | 137.3° | 180.0° |
| C50 | C51 | C52 | H77 | 102.2° | 60.0° |
| C50 | C51 | C52 | H78 | 16.9° | 60.0° |
| H73 | C50 | C51 | C52 | 8.6° | 60.0° |
| H73 | C50 | C51 | H75 | 111.8° | 180.0° |
| H73 | C50 | C51 | H76 | 129.1° | 60.0° |
| H74 | C50 | C51 | C52 | 128.3° | 60.0° |
| H74 | C50 | C51 | H75 | 7.8° | 60.0° |
| H74 | C50 | C51 | H76 | 111.2° | 180.0° |
| C52 | C51 | H75 | H76 | 118.5° | 119.9° |
| C51 | C52 | C53 | H77 | 120.5° | 120.0° |
| C51 | C52 | C53 | H78 | 120.5° | 120.0° |
| C51 | C52 | H77 | H78 | 118.6° | 120.0° |
| C51 | C52 | C53 | C54 | 39.8° | 180.0° |
| C51 | C52 | C53 | H79 | 157.9° | 60.0° |
| C51 | C52 | C53 | H80 | 78.4° | 60.0° |
| H75 | C51 | C52 | C53 | 16.8° | 59.9° |
| H75 | C51 | C52 | H77 | 137.3° | 180.0° |
| H75 | C51 | C52 | H78 | 103.6° | 60.1° |
| H76 | C51 | C52 | C53 | 102.2° | 60.0° |
| H76 | C51 | C52 | H77 | 18.3° | 60.0° |
| H76 | C51 | C52 | H78 | 137.4° | 180.0° |
| C53 | C52 | H77 | H78 | 118.6° | 120.0° |
| C52 | C53 | C54 | H79 | 118.1° | 120.0° |
| C52 | C53 | C54 | H80 | 118.2° | 120.0° |
| C52 | C53 | H79 | H80 | 125.1° | 120.1° |
| C52 | C53 | C54 | C55 | 90.0° | 180.0° |
| C52 | C53 | C54 | H81 | 90.0° | 60.1° |
| C52 | C53 | C54 | H82 | 90.0° | 60.0° |
| H77 | C52 | C53 | C54 | 80.7° | 60.0° |
| H77 | C52 | C53 | H79 | 37.4° | 179.9° |
| H77 | C52 | C53 | H80 | 161.1° | 60.0° |
| H78 | C52 | C53 | C54 | 160.2° | 60.0° |
| H78 | C52 | C53 | H79 | 81.6° | 60.0° |
| H78 | C52 | C53 | H80 | 42.1° | 180.0° |
| C54 | C53 | H79 | H80 | 125.2° | 120.0° |
| C53 | C54 | C55 | H81 | 90.0° | 119.9° |
| C53 | C54 | C55 | H82 | 90.0° | 120.0° |
| C53 | C54 | H81 | H82 | 90.0° | 120.1° |
| C53 | C54 | C55 | C56 | 90.0° | 180.0° |
| C53 | C54 | C55 | H83 | 90.0° | 60.0° |
| C53 | C54 | C55 | H84 | 90.0° | 60.0° |
| H79 | C53 | C54 | C55 | 90.0° | 60.0° |
| H79 | C53 | C54 | H81 | 90.0° | 180.0° |
| H79 | C53 | C54 | H82 | 90.0° | 60.0° |
| H80 | C53 | C54 | C55 | 90.0° | 60.0° |
| H80 | C53 | C54 | H81 | 90.0° | 59.9° |
| H80 | C53 | C54 | H82 | 90.0° | 180.0° |
| C55 | C54 | H81 | H82 | 90.0° | 120.0° |
| C54 | C55 | C56 | H83 | 90.0° | 120.0° |
| C54 | C55 | C56 | H84 | 90.0° | 120.0° |
| C54 | C55 | H83 | H84 | 90.0° | 120.0° |
| C54 | C55 | C56 | C57 | 90.0° | 180.0° |
| C54 | C55 | C56 | H85 | 90.0° | 60.0° |
| C54 | C55 | C56 | H86 | 90.0° | 60.0° |
| H81 | C54 | C55 | C56 | 90.0° | 60.0° |
| H81 | C54 | C55 | H83 | 90.0° | 179.9° |
| H81 | C54 | C55 | H84 | 90.0° | 60.0° |
| H82 | C54 | C55 | C56 | 90.0° | 60.0° |
| H82 | C54 | C55 | H83 | 90.0° | 60.0° |
| H82 | C54 | C55 | H84 | 90.0° | 180.0° |
| C56 | C55 | H83 | H84 | 90.0° | 120.0° |
| C55 | C56 | C57 | H85 | 90.0° | 120.0° |
| C55 | C56 | C57 | H86 | 90.0° | 120.0° |
| C55 | C56 | H85 | H86 | 90.0° | 120.0° |
| C55 | C56 | C57 | C58 | 90.0° | 175.1° |
| C55 | C56 | C57 | C59 | 90.0° | 65.0° |
| C55 | C56 | C57 | H87 | 90.0° | 55.0° |
| H83 | C55 | C56 | C57 | 90.0° | 60.0° |
| H83 | C55 | C56 | H85 | 90.0° | 180.0° |
| H83 | C55 | C56 | H86 | 90.0° | 60.0° |
| H84 | C55 | C56 | C57 | 90.0° | 60.0° |
| H84 | C55 | C56 | H85 | 90.0° | 59.9° |
| H84 | C55 | C56 | H86 | 90.0° | 180.0° |
| C57 | C56 | H85 | H86 | 90.0° | 120.0° |
| C56 | C57 | C58 | C59 | 90.0° | 120.0° |
| C56 | C57 | C58 | H87 | 90.0° | 120.1° |
| C56 | C57 | C59 | H87 | 90.0° | 120.0° |
| C56 | C57 | C58 | H88 | 90.0° | 60.0° |
| C56 | C57 | C58 | H89 | 90.0° | 180.0° |
| C56 | C57 | C58 | H90 | 90.0° | 60.0° |
| C56 | C57 | C59 | H91 | 90.0° | 60.0° |
| C56 | C57 | C59 | H92 | 90.0° | 60.0° |
| C56 | C57 | C59 | H93 | 90.0° | 180.0° |
| H85 | C56 | C57 | C58 | 90.0° | 55.1° |
| H85 | C56 | C57 | C59 | 90.0° | 175.0° |
| H85 | C56 | C57 | H87 | 90.0° | 65.0° |
| H86 | C56 | C57 | C58 | 90.0° | 65.0° |
| H86 | C56 | C57 | C59 | 90.0° | 55.0° |
| H86 | C56 | C57 | H87 | 90.0° | 175.0° |
| C58 | C57 | C59 | H87 | 90.0° | 120.0° |
| C57 | C58 | H88 | H89 | 90.0° | 120.1° |
| C57 | C58 | H88 | H90 | 90.0° | 120.0° |
| C57 | C58 | H89 | H90 | 90.0° | 119.9° |
| C58 | C57 | C59 | H91 | 90.0° | 60.0° |
| C58 | C57 | C59 | H92 | 90.0° | 180.0° |
| C58 | C57 | C59 | H93 | 90.0° | 60.0° |
| C59 | C57 | C58 | H88 | 90.0° | 60.0° |
| C59 | C57 | C58 | H89 | 90.0° | 60.0° |
| C59 | C57 | C58 | H90 | 90.0° | 180.0° |
| C57 | C59 | H91 | H92 | 90.0° | 120.0° |
| C57 | C59 | H91 | H93 | 90.0° | 120.0° |
| C57 | C59 | H92 | H93 | 90.0° | 120.0° |
| H87 | C57 | C58 | H88 | 90.0° | 180.0° |
| H87 | C57 | C58 | H89 | 90.0° | 59.9° |
| H87 | C57 | C58 | H90 | 90.0° | 60.0° |
| H87 | C57 | C59 | H91 | 90.0° | 180.0° |
| H87 | C57 | C59 | H92 | 90.0° | 60.1° |
| H87 | C57 | C59 | H93 | 90.0° | 59.9° |
| H88 | C58 | H89 | H90 | 90.0° | 120.0° |
| H91 | C59 | H92 | H93 | 90.0° | 120.0° |
