PRD_000108
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | C2 | sing | 1.46Å | 1.45Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | O2 | doub | 1.21Å | 1.23Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | C8 | sing | 1.47Å | 1.45Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| N3 | C14 | sing | 1.47Å | 1.45Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | O4 | doub | 1.21Å | 1.23Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| N4 | C20 | sing | 1.47Å | 1.46Å | |
| N4 | H35 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | O5 | doub | 1.21Å | 1.23Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| C25 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | H45 | sing | 1.09Å | 1.10Å | |
| N5 | C26 | sing | 1.47Å | 1.46Å | |
| N5 | H46 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C26 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | O6 | doub | 1.21Å | 1.23Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H52 | sing | 1.09Å | 1.10Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å | |
| C31 | H54 | sing | 1.09Å | 1.10Å | |
| C31 | H55 | sing | 1.09Å | 1.10Å | |
| C31 | H56 | sing | 1.09Å | 1.10Å | |
| N6 | C32 | sing | 1.46Å | 1.46Å | |
| N6 | H57 | sing | 0.97Å | 1.00Å | |
| C32 | C33 | sing | 1.51Å | 1.53Å | |
| C32 | C34 | sing | 1.53Å | 1.54Å | |
| C32 | H58 | sing | 1.09Å | 1.10Å | |
| C33 | O7 | doub | 1.21Å | 1.22Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | H61 | sing | 1.09Å | 1.10Å | |
| C35 | H62 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | H63 | sing | 1.09Å | 1.10Å | |
| C36 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å | |
| C37 | H67 | sing | 1.09Å | 1.10Å | |
| C38 | N7 | sing | 1.47Å | 1.47Å | |
| C38 | H68 | sing | 1.09Å | 1.10Å | |
| C38 | H69 | sing | 1.09Å | 1.10Å | |
| C38 | H70 | sing | 1.09Å | 1.10Å | |
| N7 | C39 | sing | 1.46Å | 1.48Å | |
| C39 | C40 | sing | 1.51Å | 1.53Å | |
| C39 | C41 | sing | 1.53Å | 1.54Å | |
| C39 | H71 | sing | 1.09Å | 1.10Å | |
| C40 | O8 | doub | 1.21Å | 1.23Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | H72 | sing | 1.09Å | 1.10Å | |
| C41 | H73 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | H74 | sing | 1.09Å | 1.10Å | |
| C42 | H75 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C43 | H76 | sing | 1.09Å | 1.10Å | |
| C43 | H77 | sing | 1.09Å | 1.10Å | |
| C44 | H78 | sing | 1.09Å | 1.10Å | |
| C44 | H79 | sing | 1.09Å | 1.10Å | |
| C44 | H80 | sing | 1.09Å | 1.10Å | |
| N8 | C45 | sing | 1.46Å | 1.45Å | |
| N8 | H81 | sing | 0.97Å | 1.00Å | |
| C45 | C46 | sing | 1.51Å | 1.54Å | |
| C45 | C47 | sing | 1.53Å | 1.53Å | |
| C45 | H82 | sing | 1.09Å | 1.10Å | |
| C46 | O9 | doub | 1.21Å | 1.23Å | |
| C47 | C48 | sing | 1.53Å | 1.54Å | |
| C47 | H83 | sing | 1.09Å | 1.10Å | |
| C47 | H84 | sing | 1.09Å | 1.10Å | |
| C48 | C49 | sing | 1.53Å | 1.53Å | |
| C48 | H85 | sing | 1.09Å | 1.10Å | |
| C48 | H86 | sing | 1.09Å | 1.10Å | |
| C49 | C50 | sing | 1.53Å | 1.53Å | |
| C49 | H87 | sing | 1.09Å | 1.10Å | |
| C49 | H88 | sing | 1.09Å | 1.10Å | |
| C50 | H89 | sing | 1.09Å | 1.10Å | |
| C50 | H90 | sing | 1.09Å | 1.10Å | |
| C50 | H91 | sing | 1.09Å | 1.10Å | |
| N9 | C51 | sing | 1.46Å | 1.46Å | |
| N9 | H92 | sing | 0.97Å | 1.00Å | |
| C51 | C52 | sing | 1.51Å | 1.54Å | |
| C51 | C53 | sing | 1.53Å | 1.54Å | |
| C51 | H93 | sing | 1.09Å | 1.10Å | |
| C52 | O10 | doub | 1.21Å | 1.23Å | |
| C53 | C54 | sing | 1.53Å | 1.54Å | |
| C53 | H94 | sing | 1.09Å | 1.10Å | |
| C53 | H95 | sing | 1.09Å | 1.10Å | |
| C54 | C55 | sing | 1.53Å | 1.53Å | |
| C54 | H96 | sing | 1.09Å | 1.10Å | |
| C54 | H97 | sing | 1.09Å | 1.10Å | |
| C55 | C56 | sing | 1.53Å | 1.53Å | |
| C55 | H98 | sing | 1.09Å | 1.10Å | |
| C55 | H99 | sing | 1.09Å | 1.10Å | |
| C56 | H100 | sing | 1.09Å | 1.10Å | |
| C56 | H101 | sing | 1.09Å | 1.10Å | |
| C56 | H102 | sing | 1.09Å | 1.10Å | |
| N10 | C57 | sing | 1.47Å | 1.46Å | |
| N10 | H103 | sing | 0.97Å | 1.00Å | |
| C57 | C58 | sing | 1.51Å | 1.53Å | |
| C57 | C59 | sing | 1.53Å | 1.53Å | |
| C57 | H104 | sing | 1.09Å | 1.10Å | |
| C58 | O11 | doub | 1.21Å | 1.23Å | |
| C58 | O12 | sing | 1.34Å | 1.37Å | |
| C59 | C60 | sing | 1.53Å | 1.53Å | |
| C59 | H105 | sing | 1.09Å | 1.10Å | |
| C59 | H106 | sing | 1.09Å | 1.10Å | |
| C60 | C61 | sing | 1.53Å | 1.53Å | |
| C60 | H107 | sing | 1.09Å | 1.10Å | |
| C60 | H108 | sing | 1.09Å | 1.10Å | |
| C61 | C62 | sing | 1.53Å | 1.53Å | |
| C61 | H109 | sing | 1.09Å | 1.10Å | |
| C61 | H110 | sing | 1.09Å | 1.10Å | |
| C62 | H111 | sing | 1.09Å | 1.10Å | |
| C62 | H112 | sing | 1.09Å | 1.10Å | |
| C62 | H113 | sing | 1.09Å | 1.10Å | |
| O12 | C63 | sing | 1.45Å | 1.41Å | |
| C63 | H114 | sing | 1.09Å | 1.10Å | |
| C63 | H115 | sing | 1.09Å | 1.10Å | |
| C63 | H116 | sing | 1.09Å | 1.10Å | |
| C3 | N2 | sing | 1.35Å | 1.33Å | |
| C9 | N3 | sing | 1.35Å | 1.33Å | |
| C15 | N4 | sing | 1.35Å | 1.33Å | |
| C21 | N5 | sing | 1.35Å | 1.33Å | |
| C27 | N6 | sing | 1.35Å | 1.34Å | |
| C33 | N7 | sing | 1.35Å | 1.35Å | |
| C40 | N8 | sing | 1.35Å | 1.33Å | |
| C52 | N10 | sing | 1.35Å | 1.34Å | |
| C46 | N9 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 123.7° | 120.0° |
| O1 | C1 | H1 | 118.1° | 120.0° |
| N1 | C1 | H1 | 118.1° | 119.9° |
| C1 | N1 | C2 | 125.7° | 120.0° |
| C1 | N1 | H2 | 117.1° | 120.0° |
| C2 | N1 | H2 | 117.1° | 120.0° |
| N1 | C2 | C3 | 108.7° | 109.5° |
| N1 | C2 | C4 | 109.8° | 109.5° |
| N1 | C2 | H3 | 109.5° | 109.5° |
| C3 | C2 | C4 | 112.0° | 109.5° |
| C3 | C2 | H3 | 108.5° | 109.4° |
| C2 | C3 | O2 | 121.5° | 119.9° |
| C2 | C3 | N2 | 116.7° | 120.0° |
| C4 | C2 | H3 | 108.4° | 109.5° |
| C2 | C4 | C5 | 111.3° | 109.5° |
| C2 | C4 | H4 | 109.0° | 109.5° |
| C2 | C4 | H5 | 109.0° | 109.5° |
| O2 | C3 | N2 | 121.7° | 120.0° |
| C5 | C4 | H4 | 109.0° | 109.4° |
| C5 | C4 | H5 | 109.0° | 109.5° |
| C4 | C5 | C6 | 112.2° | 109.5° |
| C4 | C5 | H6 | 108.8° | 109.5° |
| C4 | C5 | H7 | 108.8° | 109.4° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| C6 | C5 | H6 | 108.8° | 109.5° |
| C6 | C5 | H7 | 108.8° | 109.5° |
| C5 | C6 | C7 | 112.3° | 109.5° |
| C5 | C6 | H8 | 108.7° | 109.5° |
| C5 | C6 | H9 | 108.7° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C7 | C6 | H8 | 108.8° | 109.5° |
| C7 | C6 | H9 | 108.8° | 109.5° |
| C6 | C7 | H10 | 109.5° | 109.5° |
| C6 | C7 | H11 | 109.5° | 109.4° |
| C6 | C7 | H12 | 109.5° | 109.4° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H10 | C7 | H12 | 109.4° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| C8 | N2 | H13 | 118.0° | 120.0° |
| N2 | C8 | C9 | 112.2° | 109.4° |
| N2 | C8 | C10 | 109.7° | 109.4° |
| N2 | C8 | H14 | 108.0° | 109.5° |
| C8 | N2 | C3 | 123.9° | 120.0° |
| H13 | N2 | C3 | 118.1° | 120.0° |
| C9 | C8 | C10 | 112.6° | 109.5° |
| C9 | C8 | H14 | 107.1° | 109.5° |
| C8 | C9 | O3 | 120.9° | 120.0° |
| C8 | C9 | N3 | 115.5° | 120.0° |
| C10 | C8 | H14 | 106.9° | 109.5° |
| C8 | C10 | C11 | 112.5° | 109.5° |
| C8 | C10 | H15 | 108.7° | 109.4° |
| C8 | C10 | H16 | 108.7° | 109.4° |
| O3 | C9 | N3 | 123.6° | 120.0° |
| C11 | C10 | H15 | 108.7° | 109.5° |
| C11 | C10 | H16 | 108.7° | 109.5° |
| C10 | C11 | C12 | 112.0° | 109.4° |
| C10 | C11 | H17 | 108.8° | 109.5° |
| C10 | C11 | H18 | 108.9° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| C12 | C11 | H17 | 108.8° | 109.5° |
| C12 | C11 | H18 | 108.8° | 109.5° |
| C11 | C12 | C13 | 113.1° | 109.4° |
| C11 | C12 | H19 | 108.6° | 109.5° |
| C11 | C12 | H20 | 108.6° | 109.5° |
| H17 | C11 | H18 | 109.4° | 109.4° |
| C13 | C12 | H19 | 108.5° | 109.5° |
| C13 | C12 | H20 | 108.5° | 109.5° |
| C12 | C13 | H21 | 109.5° | 109.5° |
| C12 | C13 | H22 | 109.5° | 109.5° |
| C12 | C13 | H23 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.4° |
| H21 | C13 | H22 | 109.4° | 109.5° |
| H21 | C13 | H23 | 109.5° | 109.5° |
| H22 | C13 | H23 | 109.5° | 109.4° |
| C14 | N3 | H24 | 117.2° | 120.0° |
| N3 | C14 | C15 | 107.7° | 109.4° |
| N3 | C14 | C16 | 108.7° | 109.5° |
| N3 | C14 | H25 | 110.4° | 109.4° |
| C14 | N3 | C9 | 125.6° | 120.0° |
| H24 | N3 | C9 | 117.2° | 120.1° |
| C15 | C14 | C16 | 111.2° | 109.5° |
| C15 | C14 | H25 | 109.4° | 109.5° |
| C14 | C15 | O4 | 120.4° | 120.1° |
| C14 | C15 | N4 | 117.0° | 120.0° |
| C16 | C14 | H25 | 109.3° | 109.5° |
| C14 | C16 | C17 | 111.3° | 109.5° |
| C14 | C16 | H26 | 109.0° | 109.5° |
| C14 | C16 | H27 | 109.0° | 109.4° |
| O4 | C15 | N4 | 122.6° | 120.0° |
| C17 | C16 | H26 | 109.0° | 109.5° |
| C17 | C16 | H27 | 109.0° | 109.4° |
| C16 | C17 | C18 | 112.6° | 109.5° |
| C16 | C17 | H28 | 108.7° | 109.5° |
| C16 | C17 | H29 | 108.7° | 109.4° |
| H26 | C16 | H27 | 109.5° | 109.5° |
| C18 | C17 | H28 | 108.7° | 109.5° |
| C18 | C17 | H29 | 108.7° | 109.5° |
| C17 | C18 | C19 | 112.7° | 109.4° |
| C17 | C18 | H30 | 108.7° | 109.5° |
| C17 | C18 | H31 | 108.7° | 109.5° |
| H28 | C17 | H29 | 109.5° | 109.5° |
| C19 | C18 | H30 | 108.6° | 109.5° |
| C19 | C18 | H31 | 108.7° | 109.5° |
| C18 | C19 | H32 | 109.5° | 109.5° |
| C18 | C19 | H33 | 109.5° | 109.5° |
| C18 | C19 | H34 | 109.5° | 109.5° |
| H30 | C18 | H31 | 109.5° | 109.5° |
| H32 | C19 | H33 | 109.5° | 109.4° |
| H32 | C19 | H34 | 109.5° | 109.4° |
| H33 | C19 | H34 | 109.4° | 109.4° |
| C20 | N4 | H35 | 118.8° | 120.0° |
| N4 | C20 | C21 | 107.2° | 109.4° |
| N4 | C20 | C22 | 111.8° | 109.5° |
| N4 | C20 | H36 | 109.4° | 109.5° |
| C20 | N4 | C15 | 122.3° | 120.0° |
| H35 | N4 | C15 | 118.9° | 120.1° |
| C21 | C20 | C22 | 111.6° | 109.5° |
| C21 | C20 | H36 | 108.4° | 109.4° |
| C20 | C21 | O5 | 119.9° | 120.0° |
| C20 | C21 | N5 | 118.2° | 120.0° |
| C22 | C20 | H36 | 108.4° | 109.5° |
| C20 | C22 | C23 | 111.3° | 109.4° |
| C20 | C22 | H37 | 109.0° | 109.5° |
| C20 | C22 | H38 | 109.0° | 109.5° |
| O5 | C21 | N5 | 121.9° | 120.0° |
| C23 | C22 | H37 | 109.0° | 109.5° |
| C23 | C22 | H38 | 109.0° | 109.5° |
| C22 | C23 | C24 | 112.5° | 109.5° |
| C22 | C23 | H39 | 108.7° | 109.5° |
| C22 | C23 | H40 | 108.7° | 109.5° |
| H37 | C22 | H38 | 109.5° | 109.5° |
| C24 | C23 | H39 | 108.7° | 109.4° |
| C24 | C23 | H40 | 108.7° | 109.5° |
| C23 | C24 | C25 | 112.6° | 109.5° |
| C23 | C24 | H41 | 108.7° | 109.5° |
| C23 | C24 | H42 | 108.7° | 109.5° |
| H39 | C23 | H40 | 109.4° | 109.5° |
| C25 | C24 | H41 | 108.7° | 109.4° |
| C25 | C24 | H42 | 108.7° | 109.4° |
| C24 | C25 | H43 | 109.5° | 109.5° |
| C24 | C25 | H44 | 109.5° | 109.5° |
| C24 | C25 | H45 | 109.5° | 109.4° |
| H41 | C24 | H42 | 109.5° | 109.4° |
| H43 | C25 | H44 | 109.4° | 109.5° |
| H43 | C25 | H45 | 109.5° | 109.4° |
| H44 | C25 | H45 | 109.4° | 109.5° |
| C26 | N5 | H46 | 118.1° | 120.0° |
| N5 | C26 | C27 | 111.6° | 109.5° |
| N5 | C26 | C28 | 104.9° | 109.4° |
| N5 | C26 | H47 | 110.2° | 109.5° |
| C26 | N5 | C21 | 123.8° | 120.0° |
| H46 | N5 | C21 | 118.1° | 120.0° |
| C27 | C26 | C28 | 111.8° | 109.5° |
| C27 | C26 | H47 | 109.2° | 109.5° |
| C26 | C27 | O6 | 119.2° | 120.0° |
| C26 | C27 | N6 | 118.8° | 120.0° |
| C28 | C26 | H47 | 109.2° | 109.5° |
| C26 | C28 | C29 | 116.3° | 109.5° |
| C26 | C28 | H48 | 107.8° | 109.4° |
| C26 | C28 | H49 | 107.7° | 109.5° |
| O6 | C27 | N6 | 121.9° | 120.0° |
| C29 | C28 | H48 | 107.7° | 109.5° |
| C29 | C28 | H49 | 107.7° | 109.5° |
| C28 | C29 | C30 | 111.7° | 109.5° |
| C28 | C29 | H50 | 108.9° | 109.4° |
| C28 | C29 | H51 | 108.9° | 109.4° |
| H48 | C28 | H49 | 109.5° | 109.5° |
| C30 | C29 | H50 | 108.9° | 109.5° |
| C30 | C29 | H51 | 108.9° | 109.4° |
| C29 | C30 | C31 | 110.7° | 109.5° |
| C29 | C30 | H52 | 109.2° | 109.5° |
| C29 | C30 | H53 | 109.2° | 109.4° |
| H50 | C29 | H51 | 109.5° | 109.5° |
| C31 | C30 | H52 | 109.2° | 109.5° |
| C31 | C30 | H53 | 109.1° | 109.5° |
| C30 | C31 | H54 | 109.5° | 109.5° |
| C30 | C31 | H55 | 109.5° | 109.5° |
| C30 | C31 | H56 | 109.5° | 109.5° |
| H52 | C30 | H53 | 109.5° | 109.5° |
| H54 | C31 | H55 | 109.4° | 109.5° |
| H54 | C31 | H56 | 109.5° | 109.5° |
| H55 | C31 | H56 | 109.5° | 109.5° |
| C32 | N6 | H57 | 118.5° | 120.1° |
| N6 | C32 | C33 | 110.7° | 109.5° |
| N6 | C32 | C34 | 109.9° | 109.5° |
| N6 | C32 | H58 | 109.5° | 109.5° |
| C32 | N6 | C27 | 123.1° | 120.0° |
| H57 | N6 | C27 | 118.4° | 120.0° |
| C33 | C32 | C34 | 109.5° | 109.4° |
| C33 | C32 | H58 | 108.7° | 109.4° |
| C32 | C33 | O7 | 118.2° | 119.9° |
| C32 | C33 | N7 | 120.2° | 120.0° |
| C34 | C32 | H58 | 108.5° | 109.5° |
| C32 | C34 | C35 | 112.7° | 109.4° |
| C32 | C34 | H59 | 108.7° | 109.5° |
| C32 | C34 | H60 | 108.7° | 109.5° |
| O7 | C33 | N7 | 121.5° | 120.0° |
| C35 | C34 | H59 | 108.7° | 109.5° |
| C35 | C34 | H60 | 108.7° | 109.5° |
| C34 | C35 | C36 | 110.4° | 109.4° |
| C34 | C35 | H61 | 109.2° | 109.5° |
| C34 | C35 | H62 | 109.3° | 109.5° |
| H59 | C34 | H60 | 109.4° | 109.5° |
| C36 | C35 | H61 | 109.2° | 109.5° |
| C36 | C35 | H62 | 109.2° | 109.5° |
| C35 | C36 | C37 | 110.4° | 109.5° |
| C35 | C36 | H63 | 109.2° | 109.5° |
| C35 | C36 | H64 | 109.2° | 109.5° |
| H61 | C35 | H62 | 109.4° | 109.5° |
| C37 | C36 | H63 | 109.2° | 109.4° |
| C37 | C36 | H64 | 109.2° | 109.4° |
| C36 | C37 | H65 | 109.5° | 109.5° |
| C36 | C37 | H66 | 109.5° | 109.4° |
| C36 | C37 | H67 | 109.5° | 109.5° |
| H63 | C36 | H64 | 109.5° | 109.5° |
| H65 | C37 | H66 | 109.5° | 109.4° |
| H65 | C37 | H67 | 109.5° | 109.5° |
| H66 | C37 | H67 | 109.4° | 109.5° |
| N7 | C38 | H68 | 109.5° | 109.4° |
| N7 | C38 | H69 | 109.4° | 109.5° |
| N7 | C38 | H70 | 109.5° | 109.5° |
| C38 | N7 | C39 | 116.8° | 120.0° |
| C38 | N7 | C33 | 123.2° | 120.0° |
| H68 | C38 | H69 | 109.5° | 109.5° |
| H68 | C38 | H70 | 109.5° | 109.5° |
| H69 | C38 | H70 | 109.4° | 109.5° |
| N7 | C39 | C40 | 110.9° | 109.5° |
| N7 | C39 | C41 | 110.2° | 109.5° |
| N7 | C39 | H71 | 108.8° | 109.5° |
| C39 | N7 | C33 | 119.9° | 120.0° |
| C40 | C39 | C41 | 110.9° | 109.5° |
| C40 | C39 | H71 | 108.0° | 109.5° |
| C39 | C40 | O8 | 121.1° | 120.0° |
| C39 | C40 | N8 | 116.5° | 120.0° |
| C41 | C39 | H71 | 107.9° | 109.4° |
| C39 | C41 | C42 | 113.1° | 109.5° |
| C39 | C41 | H72 | 108.6° | 109.5° |
| C39 | C41 | H73 | 108.5° | 109.4° |
| O8 | C40 | N8 | 122.3° | 120.0° |
| C42 | C41 | H72 | 108.6° | 109.4° |
| C42 | C41 | H73 | 108.6° | 109.5° |
| C41 | C42 | C43 | 110.4° | 109.5° |
| C41 | C42 | H74 | 109.2° | 109.5° |
| C41 | C42 | H75 | 109.3° | 109.5° |
| H72 | C41 | H73 | 109.5° | 109.5° |
| C43 | C42 | H74 | 109.2° | 109.4° |
| C43 | C42 | H75 | 109.2° | 109.5° |
| C42 | C43 | C44 | 110.5° | 109.5° |
| C42 | C43 | H76 | 109.2° | 109.5° |
| C42 | C43 | H77 | 109.2° | 109.5° |
| H74 | C42 | H75 | 109.5° | 109.5° |
| C44 | C43 | H76 | 109.2° | 109.5° |
| C44 | C43 | H77 | 109.2° | 109.5° |
| C43 | C44 | H78 | 109.5° | 109.5° |
| C43 | C44 | H79 | 109.5° | 109.5° |
| C43 | C44 | H80 | 109.5° | 109.5° |
| H76 | C43 | H77 | 109.5° | 109.4° |
| H78 | C44 | H79 | 109.4° | 109.5° |
| H78 | C44 | H80 | 109.5° | 109.5° |
| H79 | C44 | H80 | 109.5° | 109.4° |
| C45 | N8 | H81 | 118.3° | 120.0° |
| N8 | C45 | C46 | 110.4° | 109.5° |
| N8 | C45 | C47 | 110.2° | 109.5° |
| N8 | C45 | H82 | 108.3° | 109.5° |
| C45 | N8 | C40 | 123.3° | 120.0° |
| H81 | N8 | C40 | 118.3° | 120.0° |
| C46 | C45 | C47 | 113.4° | 109.4° |
| C46 | C45 | H82 | 107.2° | 109.5° |
| C45 | C46 | O9 | 121.6° | 120.0° |
| C45 | C46 | N9 | 116.7° | 120.0° |
| C47 | C45 | H82 | 107.2° | 109.5° |
| C45 | C47 | C48 | 111.0° | 109.5° |
| C45 | C47 | H83 | 109.0° | 109.5° |
| C45 | C47 | H84 | 109.1° | 109.4° |
| O9 | C46 | N9 | 121.7° | 120.0° |
| C48 | C47 | H83 | 109.1° | 109.5° |
| C48 | C47 | H84 | 109.1° | 109.4° |
| C47 | C48 | C49 | 110.5° | 109.5° |
| C47 | C48 | H85 | 109.2° | 109.5° |
| C47 | C48 | H86 | 109.2° | 109.4° |
| H83 | C47 | H84 | 109.5° | 109.5° |
| C49 | C48 | H85 | 109.2° | 109.5° |
| C49 | C48 | H86 | 109.2° | 109.5° |
| C48 | C49 | C50 | 110.6° | 109.5° |
| C48 | C49 | H87 | 109.2° | 109.5° |
| C48 | C49 | H88 | 109.2° | 109.5° |
| H85 | C48 | H86 | 109.5° | 109.4° |
| C50 | C49 | H87 | 109.2° | 109.4° |
| C50 | C49 | H88 | 109.2° | 109.5° |
| C49 | C50 | H89 | 109.5° | 109.4° |
| C49 | C50 | H90 | 109.5° | 109.5° |
| C49 | C50 | H91 | 109.4° | 109.5° |
| H87 | C49 | H88 | 109.5° | 109.4° |
| H89 | C50 | H90 | 109.5° | 109.5° |
| H89 | C50 | H91 | 109.5° | 109.5° |
| H90 | C50 | H91 | 109.5° | 109.5° |
| C51 | N9 | H92 | 117.7° | 120.0° |
| N9 | C51 | C52 | 113.2° | 109.5° |
| N9 | C51 | C53 | 109.1° | 109.5° |
| N9 | C51 | H93 | 108.2° | 109.5° |
| C51 | N9 | C46 | 124.7° | 120.0° |
| H92 | N9 | C46 | 117.7° | 120.0° |
| C52 | C51 | C53 | 111.7° | 109.5° |
| C52 | C51 | H93 | 107.2° | 109.4° |
| C51 | C52 | O10 | 120.2° | 120.0° |
| C51 | C52 | N10 | 117.9° | 120.0° |
| C53 | C51 | H93 | 107.2° | 109.4° |
| C51 | C53 | C54 | 112.0° | 109.5° |
| C51 | C53 | H94 | 108.8° | 109.5° |
| C51 | C53 | H95 | 108.8° | 109.4° |
| O10 | C52 | N10 | 121.9° | 120.0° |
| C54 | C53 | H94 | 108.8° | 109.5° |
| C54 | C53 | H95 | 108.8° | 109.5° |
| C53 | C54 | C55 | 110.2° | 109.5° |
| C53 | C54 | H96 | 109.3° | 109.5° |
| C53 | C54 | H97 | 109.3° | 109.5° |
| H94 | C53 | H95 | 109.4° | 109.4° |
| C55 | C54 | H96 | 109.3° | 109.5° |
| C55 | C54 | H97 | 109.3° | 109.5° |
| C54 | C55 | C56 | 110.5° | 109.5° |
| C54 | C55 | H98 | 109.2° | 109.5° |
| C54 | C55 | H99 | 109.2° | 109.5° |
| H96 | C54 | H97 | 109.5° | 109.5° |
| C56 | C55 | H98 | 109.2° | 109.5° |
| C56 | C55 | H99 | 109.2° | 109.5° |
| C55 | C56 | H100 | 109.5° | 109.5° |
| C55 | C56 | H101 | 109.5° | 109.4° |
| C55 | C56 | H102 | 109.4° | 109.5° |
| H98 | C55 | H99 | 109.5° | 109.4° |
| H100 | C56 | H101 | 109.4° | 109.4° |
| H100 | C56 | H102 | 109.5° | 109.5° |
| H101 | C56 | H102 | 109.5° | 109.5° |
| C57 | N10 | H103 | 118.6° | 120.0° |
| N10 | C57 | C58 | 112.3° | 109.5° |
| N10 | C57 | C59 | 110.8° | 109.4° |
| N10 | C57 | H104 | 108.3° | 109.5° |
| C57 | N10 | C52 | 122.8° | 120.0° |
| H103 | N10 | C52 | 118.6° | 120.0° |
| C58 | C57 | C59 | 110.3° | 109.5° |
| C58 | C57 | H104 | 107.4° | 109.5° |
| C57 | C58 | O11 | 118.8° | 120.0° |
| C57 | C58 | O12 | 116.0° | 120.0° |
| C59 | C57 | H104 | 107.4° | 109.4° |
| C57 | C59 | C60 | 112.7° | 109.5° |
| C57 | C59 | H105 | 108.6° | 109.5° |
| C57 | C59 | H106 | 108.6° | 109.5° |
| O11 | C58 | O12 | 125.2° | 120.0° |
| C58 | O12 | C63 | 112.6° | 117.0° |
| C60 | C59 | H105 | 108.6° | 109.5° |
| C60 | C59 | H106 | 108.7° | 109.5° |
| C59 | C60 | C61 | 110.7° | 109.5° |
| C59 | C60 | H107 | 109.2° | 109.5° |
| C59 | C60 | H108 | 109.2° | 109.5° |
| H105 | C59 | H106 | 109.5° | 109.5° |
| C61 | C60 | H107 | 109.2° | 109.5° |
| C61 | C60 | H108 | 109.2° | 109.5° |
| C60 | C61 | C62 | 110.3° | 109.5° |
| C60 | C61 | H109 | 109.2° | 109.5° |
| C60 | C61 | H110 | 109.3° | 109.5° |
| H107 | C60 | H108 | 109.5° | 109.5° |
| C62 | C61 | H109 | 109.3° | 109.4° |
| C62 | C61 | H110 | 109.2° | 109.5° |
| C61 | C62 | H111 | 109.5° | 109.5° |
| C61 | C62 | H112 | 109.4° | 109.4° |
| C61 | C62 | H113 | 109.5° | 109.5° |
| H109 | C61 | H110 | 109.5° | 109.5° |
| H111 | C62 | H112 | 109.5° | 109.5° |
| H111 | C62 | H113 | 109.5° | 109.5° |
| H112 | C62 | H113 | 109.5° | 109.5° |
| O12 | C63 | H114 | 109.5° | 109.5° |
| O12 | C63 | H115 | 109.5° | 109.4° |
| O12 | C63 | H116 | 109.5° | 109.5° |
| H114 | C63 | H115 | 109.5° | 109.5° |
| H114 | C63 | H116 | 109.4° | 109.5° |
| H115 | C63 | H116 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | H1 | 180.0° | 179.7° |
| O1 | C1 | N1 | C2 | 3.9° | 0.0° |
| O1 | C1 | N1 | H2 | 176.1° | 180.0° |
| C1 | N1 | C2 | H2 | 180.0° | 179.9° |
| C1 | N1 | C2 | C3 | 120.9° | 60.0° |
| C1 | N1 | C2 | C4 | 116.3° | 60.0° |
| C1 | N1 | C2 | H3 | 2.6° | 180.0° |
| H1 | C1 | N1 | C2 | 176.1° | 179.7° |
| H1 | C1 | N1 | H2 | 3.9° | 0.2° |
| N1 | C2 | C3 | C4 | 121.5° | 120.0° |
| N1 | C2 | C3 | H3 | 118.9° | 120.0° |
| N1 | C2 | C4 | H3 | 119.6° | 120.0° |
| N1 | C2 | C3 | O2 | 137.9° | 20.0° |
| N1 | C2 | C4 | C5 | 59.0° | 65.0° |
| N1 | C2 | C4 | H4 | 179.2° | 175.0° |
| N1 | C2 | C4 | H5 | 61.3° | 55.0° |
| N1 | C2 | C3 | N2 | 42.3° | 160.0° |
| H2 | N1 | C2 | C3 | 59.1° | 120.1° |
| H2 | N1 | C2 | C4 | 63.7° | 119.9° |
| H2 | N1 | C2 | H3 | 177.4° | 0.1° |
| C3 | C2 | C4 | H3 | 119.6° | 119.9° |
| C2 | C3 | O2 | N2 | 179.8° | 180.0° |
| C3 | C2 | C4 | C5 | 179.8° | 175.0° |
| C3 | C2 | C4 | H4 | 59.9° | 55.0° |
| C3 | C2 | C4 | H5 | 59.6° | 65.0° |
| C2 | C3 | N2 | C8 | 168.6° | 180.0° |
| C2 | C3 | N2 | H13 | 11.4° | 0.1° |
| C4 | C2 | C3 | O2 | 16.4° | 100.0° |
| C2 | C4 | C5 | H4 | 120.3° | 120.0° |
| C2 | C4 | C5 | H5 | 120.3° | 120.0° |
| C2 | C4 | H4 | H5 | 119.2° | 120.0° |
| C2 | C4 | C5 | C6 | 168.5° | 180.0° |
| C2 | C4 | C5 | H6 | 71.1° | 60.0° |
| C2 | C4 | C5 | H7 | 48.0° | 60.0° |
| C4 | C2 | C3 | N2 | 163.9° | 80.0° |
| H3 | C2 | C3 | O2 | 103.2° | 140.0° |
| H3 | C2 | C4 | C5 | 60.6° | 55.0° |
| H3 | C2 | C4 | H4 | 59.7° | 64.9° |
| H3 | C2 | C4 | H5 | 179.2° | 175.0° |
| H3 | C2 | C3 | N2 | 76.6° | 40.0° |
| O2 | C3 | N2 | C8 | 11.2° | 0.0° |
| O2 | C3 | N2 | H13 | 168.8° | 179.9° |
| C5 | C4 | H4 | H5 | 119.2° | 120.0° |
| C4 | C5 | C6 | H6 | 120.4° | 120.0° |
| C4 | C5 | C6 | H7 | 120.4° | 119.9° |
| C4 | C5 | H6 | H7 | 118.7° | 120.0° |
| C4 | C5 | C6 | C7 | 61.8° | 180.0° |
| C4 | C5 | C6 | H8 | 177.8° | 60.0° |
| C4 | C5 | C6 | H9 | 58.7° | 60.0° |
| H4 | C4 | C5 | C6 | 48.2° | 60.0° |
| H4 | C4 | C5 | H6 | 168.6° | 180.0° |
| H4 | C4 | C5 | H7 | 72.2° | 59.9° |
| H5 | C4 | C5 | C6 | 71.3° | 60.0° |
| H5 | C4 | C5 | H6 | 49.1° | 60.0° |
| H5 | C4 | C5 | H7 | 168.3° | 180.0° |
| C6 | C5 | H6 | H7 | 118.8° | 120.0° |
| C5 | C6 | C7 | H8 | 120.4° | 120.0° |
| C5 | C6 | C7 | H9 | 120.4° | 120.0° |
| C5 | C6 | H8 | H9 | 118.7° | 120.0° |
| C5 | C6 | C7 | H10 | 180.0° | 60.1° |
| C5 | C6 | C7 | H11 | 60.0° | 180.0° |
| C5 | C6 | C7 | H12 | 60.0° | 60.0° |
| H6 | C5 | C6 | C7 | 58.6° | 60.0° |
| H6 | C5 | C6 | H8 | 61.8° | 180.0° |
| H6 | C5 | C6 | H9 | 179.1° | 60.0° |
| H7 | C5 | C6 | C7 | 177.8° | 60.1° |
| H7 | C5 | C6 | H8 | 57.4° | 60.0° |
| H7 | C5 | C6 | H9 | 61.8° | 179.9° |
| C7 | C6 | H8 | H9 | 118.7° | 120.0° |
| C6 | C7 | H10 | H11 | 120.0° | 120.0° |
| C6 | C7 | H10 | H12 | 120.0° | 120.0° |
| C6 | C7 | H11 | H12 | 120.0° | 119.9° |
| H8 | C6 | C7 | H10 | 59.6° | 60.0° |
| H8 | C6 | C7 | H11 | 179.6° | 60.0° |
| H8 | C6 | C7 | H12 | 60.4° | 180.0° |
| H9 | C6 | C7 | H10 | 59.6° | 180.0° |
| H9 | C6 | C7 | H11 | 60.4° | 60.0° |
| H9 | C6 | C7 | H12 | 179.6° | 60.0° |
| H10 | C7 | H11 | H12 | 120.0° | 120.1° |
| C8 | N2 | H13 | C3 | 180.0° | 179.9° |
| N2 | C8 | C9 | C10 | 124.3° | 120.0° |
| N2 | C8 | C9 | H14 | 118.4° | 120.0° |
| N2 | C8 | C10 | H14 | 116.8° | 120.0° |
| N2 | C8 | C9 | O3 | 7.2° | 0.0° |
| N2 | C8 | C10 | C11 | 59.1° | 65.0° |
| N2 | C8 | C10 | H15 | 179.5° | 55.0° |
| N2 | C8 | C10 | H16 | 61.4° | 175.0° |
| N2 | C8 | C9 | N3 | 173.3° | 180.0° |
| H13 | N2 | C8 | C9 | 23.6° | 24.9° |
| H13 | N2 | C8 | C10 | 102.3° | 95.1° |
| H13 | N2 | C8 | H14 | 141.5° | 145.0° |
| C9 | C8 | C10 | H14 | 117.4° | 120.1° |
| C8 | C9 | O3 | N3 | 179.4° | 180.0° |
| C9 | C8 | C10 | C11 | 66.7° | 175.0° |
| C9 | C8 | C10 | H15 | 53.8° | 65.0° |
| C9 | C8 | C10 | H16 | 172.9° | 55.0° |
| C8 | C9 | N3 | C14 | 175.3° | 180.0° |
| C8 | C9 | N3 | H24 | 4.7° | 0.0° |
| C9 | C8 | N2 | C3 | 156.4° | 155.0° |
| C10 | C8 | C9 | O3 | 117.1° | 119.9° |
| C8 | C10 | C11 | H15 | 120.4° | 120.0° |
| C8 | C10 | C11 | H16 | 120.4° | 119.9° |
| C8 | C10 | H15 | H16 | 118.6° | 119.9° |
| C8 | C10 | C11 | C12 | 173.7° | 180.0° |
| C8 | C10 | C11 | H17 | 53.4° | 60.0° |
| C8 | C10 | C11 | H18 | 65.9° | 60.0° |
| C10 | C8 | N2 | C3 | 77.6° | 85.0° |
| C10 | C8 | C9 | N3 | 62.4° | 60.0° |
| H14 | C8 | C9 | O3 | 125.6° | 120.0° |
| H14 | C8 | C10 | C11 | 175.9° | 55.0° |
| H14 | C8 | C10 | H15 | 63.6° | 174.9° |
| H14 | C8 | C10 | H16 | 55.5° | 65.0° |
| H14 | C8 | N2 | C3 | 38.5° | 34.9° |
| H14 | C8 | C9 | N3 | 54.9° | 60.0° |
| O3 | C9 | N3 | C14 | 4.1° | 0.0° |
| O3 | C9 | N3 | H24 | 175.9° | 179.9° |
| C11 | C10 | H15 | H16 | 118.6° | 120.1° |
| C10 | C11 | C12 | H17 | 120.4° | 120.0° |
| C10 | C11 | C12 | H18 | 120.4° | 120.0° |
| C10 | C11 | H17 | H18 | 118.9° | 120.0° |
| C10 | C11 | C12 | C13 | 65.9° | 180.0° |
| C10 | C11 | C12 | H19 | 54.6° | 60.0° |
| C10 | C11 | C12 | H20 | 173.6° | 60.0° |
| H15 | C10 | C11 | C12 | 65.8° | 60.1° |
| H15 | C10 | C11 | H17 | 173.8° | 179.9° |
| H15 | C10 | C11 | H18 | 54.6° | 60.0° |
| H16 | C10 | C11 | C12 | 53.3° | 60.0° |
| H16 | C10 | C11 | H17 | 67.1° | 59.9° |
| H16 | C10 | C11 | H18 | 173.7° | 179.9° |
| C12 | C11 | H17 | H18 | 118.8° | 120.0° |
| C11 | C12 | C13 | H19 | 120.6° | 120.0° |
| C11 | C12 | C13 | H20 | 120.5° | 120.0° |
| C11 | C12 | H19 | H20 | 118.4° | 120.0° |
| C11 | C12 | C13 | H21 | 180.0° | 60.0° |
| C11 | C12 | C13 | H22 | 60.0° | 60.0° |
| C11 | C12 | C13 | H23 | 60.0° | 180.0° |
| H17 | C11 | C12 | C13 | 173.7° | 60.0° |
| H17 | C11 | C12 | H19 | 65.8° | 180.0° |
| H17 | C11 | C12 | H20 | 53.2° | 60.0° |
| H18 | C11 | C12 | C13 | 54.5° | 60.0° |
| H18 | C11 | C12 | H19 | 175.0° | 60.0° |
| H18 | C11 | C12 | H20 | 66.0° | 180.0° |
| C13 | C12 | H19 | H20 | 118.3° | 120.0° |
| C12 | C13 | H21 | H22 | 120.0° | 120.1° |
| C12 | C13 | H21 | H23 | 120.0° | 120.0° |
| C12 | C13 | H22 | H23 | 120.0° | 120.0° |
| H19 | C12 | C13 | H21 | 59.5° | 180.0° |
| H19 | C12 | C13 | H22 | 179.4° | 59.9° |
| H19 | C12 | C13 | H23 | 60.6° | 60.0° |
| H20 | C12 | C13 | H21 | 59.4° | 60.0° |
| H20 | C12 | C13 | H22 | 60.5° | 179.9° |
| H20 | C12 | C13 | H23 | 179.5° | 60.0° |
| H21 | C13 | H22 | H23 | 120.0° | 120.0° |
| C14 | N3 | H24 | C9 | 180.0° | 180.0° |
| N3 | C14 | C15 | C16 | 119.0° | 120.0° |
| N3 | C14 | C15 | H25 | 120.1° | 119.9° |
| N3 | C14 | C16 | H25 | 120.6° | 120.0° |
| N3 | C14 | C15 | O4 | 89.1° | 0.0° |
| N3 | C14 | C16 | C17 | 59.3° | 65.0° |
| N3 | C14 | C16 | H26 | 179.5° | 175.0° |
| N3 | C14 | C16 | H27 | 61.0° | 55.0° |
| N3 | C14 | C15 | N4 | 89.4° | 180.0° |
| H24 | N3 | C14 | C15 | 71.6° | 25.0° |
| H24 | N3 | C14 | C16 | 49.0° | 95.0° |
| H24 | N3 | C14 | H25 | 168.9° | 145.0° |
| C15 | C14 | C16 | H25 | 121.0° | 120.0° |
| C14 | C15 | O4 | N4 | 178.5° | 180.0° |
| C15 | C14 | C16 | C17 | 177.7° | 175.1° |
| C15 | C14 | C16 | H26 | 62.1° | 55.0° |
| C15 | C14 | C16 | H27 | 57.4° | 65.0° |
| C14 | C15 | N4 | C20 | 175.6° | 180.0° |
| C14 | C15 | N4 | H35 | 4.3° | 0.0° |
| C15 | C14 | N3 | C9 | 108.4° | 155.0° |
| C16 | C14 | C15 | O4 | 29.9° | 120.0° |
| C14 | C16 | C17 | H26 | 120.3° | 120.0° |
| C14 | C16 | C17 | H27 | 120.3° | 120.0° |
| C14 | C16 | H26 | H27 | 119.2° | 120.0° |
| C14 | C16 | C17 | C18 | 178.7° | 180.0° |
| C14 | C16 | C17 | H28 | 58.2° | 60.0° |
| C14 | C16 | C17 | H29 | 60.8° | 60.0° |
| C16 | C14 | N3 | C9 | 131.0° | 85.0° |
| C16 | C14 | C15 | N4 | 151.6° | 60.0° |
| H25 | C14 | C15 | O4 | 150.8° | 119.9° |
| H25 | C14 | C16 | C17 | 61.3° | 55.0° |
| H25 | C14 | C16 | H26 | 58.9° | 65.0° |
| H25 | C14 | C16 | H27 | 178.4° | 175.0° |
| H25 | C14 | N3 | C9 | 11.1° | 35.0° |
| H25 | C14 | C15 | N4 | 30.7° | 60.0° |
| O4 | C15 | N4 | C20 | 2.9° | 0.0° |
| O4 | C15 | N4 | H35 | 177.1° | 180.0° |
| C17 | C16 | H26 | H27 | 119.2° | 120.0° |
| C16 | C17 | C18 | H28 | 120.5° | 120.0° |
| C16 | C17 | C18 | H29 | 120.5° | 119.9° |
| C16 | C17 | H28 | H29 | 118.6° | 119.9° |
| C16 | C17 | C18 | C19 | 65.4° | 180.0° |
| C16 | C17 | C18 | H30 | 174.1° | 60.0° |
| C16 | C17 | C18 | H31 | 55.0° | 60.0° |
| H26 | C16 | C17 | C18 | 61.0° | 60.0° |
| H26 | C16 | C17 | H28 | 178.5° | 180.0° |
| H26 | C16 | C17 | H29 | 59.4° | 60.0° |
| H27 | C16 | C17 | C18 | 58.4° | 60.0° |
| H27 | C16 | C17 | H28 | 62.1° | 60.0° |
| H27 | C16 | C17 | H29 | 178.9° | 180.0° |
| C18 | C17 | H28 | H29 | 118.6° | 120.1° |
| C17 | C18 | C19 | H30 | 120.5° | 120.0° |
| C17 | C18 | C19 | H31 | 120.5° | 120.0° |
| C17 | C18 | H30 | H31 | 118.6° | 120.0° |
| C17 | C18 | C19 | H32 | 180.0° | 180.0° |
| C17 | C18 | C19 | H33 | 60.0° | 60.0° |
| C17 | C18 | C19 | H34 | 60.0° | 60.0° |
| H28 | C17 | C18 | C19 | 55.0° | 60.0° |
| H28 | C17 | C18 | H30 | 65.4° | 180.0° |
| H28 | C17 | C18 | H31 | 175.5° | 60.0° |
| H29 | C17 | C18 | C19 | 174.1° | 60.0° |
| H29 | C17 | C18 | H30 | 53.6° | 59.9° |
| H29 | C17 | C18 | H31 | 65.4° | 180.0° |
| C19 | C18 | H30 | H31 | 118.5° | 120.0° |
| C18 | C19 | H32 | H33 | 120.0° | 120.1° |
| C18 | C19 | H32 | H34 | 120.0° | 120.0° |
| C18 | C19 | H33 | H34 | 120.0° | 120.1° |
| H30 | C18 | C19 | H32 | 59.5° | 60.1° |
| H30 | C18 | C19 | H33 | 179.5° | 180.0° |
| H30 | C18 | C19 | H34 | 60.5° | 59.9° |
| H31 | C18 | C19 | H32 | 59.5° | 60.0° |
| H31 | C18 | C19 | H33 | 60.5° | 60.0° |
| H31 | C18 | C19 | H34 | 179.5° | 180.0° |
| H32 | C19 | H33 | H34 | 120.0° | 119.9° |
| C20 | N4 | H35 | C15 | 180.0° | 180.0° |
| N4 | C20 | C21 | C22 | 122.7° | 120.0° |
| N4 | C20 | C21 | H36 | 118.0° | 120.0° |
| N4 | C20 | C22 | H36 | 120.6° | 120.0° |
| N4 | C20 | C21 | O5 | 18.0° | 0.0° |
| N4 | C20 | C22 | C23 | 57.0° | 65.0° |
| N4 | C20 | C22 | H37 | 63.3° | 55.0° |
| N4 | C20 | C22 | H38 | 177.3° | 175.0° |
| N4 | C20 | C21 | N5 | 163.2° | 180.0° |
| H35 | N4 | C20 | C21 | 85.0° | 25.0° |
| H35 | N4 | C20 | C22 | 37.5° | 95.0° |
| H35 | N4 | C20 | H36 | 157.6° | 145.0° |
| C21 | C20 | C22 | H36 | 119.3° | 120.0° |
| C20 | C21 | O5 | N5 | 178.7° | 179.9° |
| C21 | C20 | C22 | C23 | 177.1° | 175.0° |
| C21 | C20 | C22 | H37 | 56.8° | 65.0° |
| C21 | C20 | C22 | H38 | 62.7° | 55.0° |
| C20 | C21 | N5 | C26 | 170.6° | 180.0° |
| C20 | C21 | N5 | H46 | 9.4° | 0.1° |
| C21 | C20 | N4 | C15 | 94.9° | 155.0° |
| C22 | C20 | C21 | O5 | 104.7° | 120.0° |
| C20 | C22 | C23 | H37 | 120.3° | 120.0° |
| C20 | C22 | C23 | H38 | 120.3° | 120.0° |
| C20 | C22 | H37 | H38 | 119.2° | 120.0° |
| C20 | C22 | C23 | C24 | 173.4° | 180.0° |
| C20 | C22 | C23 | H39 | 53.0° | 60.0° |
| C20 | C22 | C23 | H40 | 66.1° | 60.0° |
| C22 | C20 | N4 | C15 | 142.5° | 85.0° |
| C22 | C20 | C21 | N5 | 74.1° | 60.0° |
| H36 | C20 | C21 | O5 | 136.1° | 120.0° |
| H36 | C20 | C22 | C23 | 63.6° | 55.0° |
| H36 | C20 | C22 | H37 | 176.1° | 175.0° |
| H36 | C20 | C22 | H38 | 56.6° | 64.9° |
| H36 | C20 | N4 | C15 | 22.4° | 35.1° |
| H36 | C20 | C21 | N5 | 45.2° | 60.1° |
| O5 | C21 | N5 | C26 | 8.1° | 0.0° |
| O5 | C21 | N5 | H46 | 171.9° | 180.0° |
| C23 | C22 | H37 | H38 | 119.1° | 120.0° |
| C22 | C23 | C24 | H39 | 120.5° | 120.0° |
| C22 | C23 | C24 | H40 | 120.4° | 120.1° |
| C22 | C23 | H39 | H40 | 118.6° | 120.1° |
| C22 | C23 | C24 | C25 | 70.7° | 180.0° |
| C22 | C23 | C24 | H41 | 168.8° | 60.0° |
| C22 | C23 | C24 | H42 | 49.8° | 60.0° |
| H37 | C22 | C23 | C24 | 66.3° | 60.0° |
| H37 | C22 | C23 | H39 | 173.3° | 180.0° |
| H37 | C22 | C23 | H40 | 54.2° | 60.0° |
| H38 | C22 | C23 | C24 | 53.2° | 60.0° |
| H38 | C22 | C23 | H39 | 67.3° | 60.0° |
| H38 | C22 | C23 | H40 | 173.6° | 180.0° |
| C24 | C23 | H39 | H40 | 118.6° | 120.0° |
| C23 | C24 | C25 | H41 | 120.5° | 120.0° |
| C23 | C24 | C25 | H42 | 120.5° | 120.1° |
| C23 | C24 | H41 | H42 | 118.6° | 120.0° |
| C23 | C24 | C25 | H43 | 180.0° | 59.9° |
| C23 | C24 | C25 | H44 | 60.0° | 180.0° |
| C23 | C24 | C25 | H45 | 60.0° | 60.0° |
| H39 | C23 | C24 | C25 | 49.8° | 60.0° |
| H39 | C23 | C24 | H41 | 70.7° | 180.0° |
| H39 | C23 | C24 | H42 | 170.2° | 60.0° |
| H40 | C23 | C24 | C25 | 168.8° | 59.9° |
| H40 | C23 | C24 | H41 | 48.4° | 60.1° |
| H40 | C23 | C24 | H42 | 70.7° | 180.0° |
| C25 | C24 | H41 | H42 | 118.6° | 119.9° |
| C24 | C25 | H43 | H44 | 120.0° | 120.0° |
| C24 | C25 | H43 | H45 | 120.0° | 119.9° |
| C24 | C25 | H44 | H45 | 120.0° | 120.0° |
| H41 | C24 | C25 | H43 | 59.6° | 60.1° |
| H41 | C24 | C25 | H44 | 179.6° | 60.0° |
| H41 | C24 | C25 | H45 | 60.5° | 180.0° |
| H42 | C24 | C25 | H43 | 59.5° | 180.0° |
| H42 | C24 | C25 | H44 | 60.5° | 59.9° |
| H42 | C24 | C25 | H45 | 179.6° | 60.1° |
| H43 | C25 | H44 | H45 | 120.0° | 120.0° |
| C26 | N5 | H46 | C21 | 180.0° | 179.9° |
| N5 | C26 | C27 | C28 | 117.2° | 120.0° |
| N5 | C26 | C27 | H47 | 122.0° | 120.0° |
| N5 | C26 | C28 | H47 | 118.0° | 120.0° |
| N5 | C26 | C27 | O6 | 80.9° | 0.0° |
| N5 | C26 | C28 | C29 | 176.5° | 65.0° |
| N5 | C26 | C28 | H48 | 55.5° | 175.0° |
| N5 | C26 | C28 | H49 | 62.6° | 55.0° |
| N5 | C26 | C27 | N6 | 100.3° | 180.0° |
| H46 | N5 | C26 | C27 | 50.1° | 25.0° |
| H46 | N5 | C26 | C28 | 71.1° | 95.0° |
| H46 | N5 | C26 | H47 | 171.5° | 144.9° |
| C27 | C26 | C28 | H47 | 120.9° | 120.0° |
| C26 | C27 | O6 | N6 | 178.8° | 179.9° |
| C27 | C26 | C28 | C29 | 55.4° | 175.0° |
| C27 | C26 | C28 | H48 | 65.6° | 55.1° |
| C27 | C26 | C28 | H49 | 176.3° | 65.0° |
| C26 | C27 | N6 | C32 | 178.6° | 180.0° |
| C26 | C27 | N6 | H57 | 1.4° | 0.0° |
| C27 | C26 | N5 | C21 | 129.9° | 155.0° |
| C28 | C26 | C27 | O6 | 36.3° | 120.0° |
| C26 | C28 | C29 | H48 | 121.0° | 120.0° |
| C26 | C28 | C29 | H49 | 121.0° | 120.1° |
| C26 | C28 | H48 | H49 | 116.9° | 120.0° |
| C26 | C28 | C29 | C30 | 59.4° | 179.9° |
| C26 | C28 | C29 | H50 | 61.0° | 60.0° |
| C26 | C28 | C29 | H51 | 179.7° | 60.0° |
| C28 | C26 | N5 | C21 | 108.9° | 85.0° |
| C28 | C26 | C27 | N6 | 142.6° | 60.1° |
| H47 | C26 | C27 | O6 | 157.1° | 119.9° |
| H47 | C26 | C28 | C29 | 65.5° | 55.0° |
| H47 | C26 | C28 | H48 | 173.5° | 65.0° |
| H47 | C26 | C28 | H49 | 55.5° | 175.0° |
| H47 | C26 | N5 | C21 | 8.5° | 35.0° |
| H47 | C26 | C27 | N6 | 21.7° | 60.0° |
| O6 | C27 | N6 | C32 | 0.2° | 0.1° |
| O6 | C27 | N6 | H57 | 179.8° | 179.9° |
| C29 | C28 | H48 | H49 | 116.9° | 120.0° |
| C28 | C29 | C30 | H50 | 120.3° | 120.0° |
| C28 | C29 | C30 | H51 | 120.3° | 119.9° |
| C28 | C29 | H50 | H51 | 119.0° | 120.0° |
| C28 | C29 | C30 | C31 | 174.0° | 180.0° |
| C28 | C29 | C30 | H52 | 53.8° | 60.0° |
| C28 | C29 | C30 | H53 | 65.8° | 60.0° |
| H48 | C28 | C29 | C30 | 179.6° | 60.0° |
| H48 | C28 | C29 | H50 | 60.1° | 180.0° |
| H48 | C28 | C29 | H51 | 59.3° | 60.0° |
| H49 | C28 | C29 | C30 | 61.6° | 60.0° |
| H49 | C28 | C29 | H50 | 178.1° | 60.0° |
| H49 | C28 | C29 | H51 | 58.7° | 179.9° |
| C30 | C29 | H50 | H51 | 119.0° | 120.0° |
| C29 | C30 | C31 | H52 | 120.2° | 120.0° |
| C29 | C30 | C31 | H53 | 120.2° | 120.0° |
| C29 | C30 | H52 | H53 | 119.4° | 120.0° |
| C29 | C30 | C31 | H54 | 180.0° | 180.0° |
| C29 | C30 | C31 | H55 | 60.0° | 60.0° |
| C29 | C30 | C31 | H56 | 60.0° | 60.0° |
| H50 | C29 | C30 | C31 | 65.7° | 60.0° |
| H50 | C29 | C30 | H52 | 174.1° | 180.0° |
| H50 | C29 | C30 | H53 | 54.5° | 60.0° |
| H51 | C29 | C30 | C31 | 53.7° | 60.1° |
| H51 | C29 | C30 | H52 | 66.5° | 60.0° |
| H51 | C29 | C30 | H53 | 173.9° | 179.9° |
| C31 | C30 | H52 | H53 | 119.4° | 120.0° |
| C30 | C31 | H54 | H55 | 120.0° | 120.0° |
| C30 | C31 | H54 | H56 | 120.0° | 120.0° |
| C30 | C31 | H55 | H56 | 120.0° | 120.0° |
| H52 | C30 | C31 | H54 | 59.8° | 60.0° |
| H52 | C30 | C31 | H55 | 179.8° | 180.0° |
| H52 | C30 | C31 | H56 | 60.2° | 60.0° |
| H53 | C30 | C31 | H54 | 59.8° | 60.0° |
| H53 | C30 | C31 | H55 | 60.2° | 60.0° |
| H53 | C30 | C31 | H56 | 179.8° | 180.0° |
| H54 | C31 | H55 | H56 | 120.0° | 120.0° |
| C32 | N6 | H57 | C27 | 180.0° | 180.0° |
| N6 | C32 | C33 | C34 | 121.3° | 120.0° |
| N6 | C32 | C33 | H58 | 120.4° | 120.0° |
| N6 | C32 | C34 | H58 | 119.8° | 120.1° |
| N6 | C32 | C33 | O7 | 27.6° | 0.0° |
| N6 | C32 | C34 | C35 | 68.1° | 65.0° |
| N6 | C32 | C34 | H59 | 52.4° | 54.9° |
| N6 | C32 | C34 | H60 | 171.4° | 175.0° |
| N6 | C32 | C33 | N7 | 153.9° | 180.0° |
| H57 | N6 | C32 | C33 | 36.3° | 25.0° |
| H57 | N6 | C32 | C34 | 84.7° | 95.0° |
| H57 | N6 | C32 | H58 | 156.2° | 145.0° |
| C33 | C32 | C34 | H58 | 118.4° | 120.0° |
| C32 | C33 | O7 | N7 | 178.6° | 180.0° |
| C33 | C32 | C34 | C35 | 170.1° | 175.0° |
| C33 | C32 | C34 | H59 | 69.4° | 65.0° |
| C33 | C32 | C34 | H60 | 49.6° | 55.0° |
| C32 | C33 | N7 | C38 | 6.2° | 0.0° |
| C32 | C33 | N7 | C39 | 177.0° | 180.0° |
| C33 | C32 | N6 | C27 | 143.7° | 155.0° |
| C34 | C32 | C33 | O7 | 93.7° | 120.0° |
| C32 | C34 | C35 | H59 | 120.5° | 120.0° |
| C32 | C34 | C35 | H60 | 120.5° | 120.0° |
| C32 | C34 | H59 | H60 | 118.5° | 120.0° |
| C32 | C34 | C35 | C36 | 172.5° | 180.0° |
| C32 | C34 | C35 | H61 | 52.3° | 60.0° |
| C32 | C34 | C35 | H62 | 67.3° | 60.0° |
| C34 | C32 | N6 | C27 | 95.3° | 85.0° |
| C34 | C32 | C33 | N7 | 84.9° | 60.0° |
| H58 | C32 | C33 | O7 | 147.9° | 120.0° |
| H58 | C32 | C34 | C35 | 51.6° | 55.0° |
| H58 | C32 | C34 | H59 | 172.1° | 175.0° |
| H58 | C32 | C34 | H60 | 68.9° | 64.9° |
| H58 | C32 | N6 | C27 | 23.8° | 35.1° |
| H58 | C32 | C33 | N7 | 33.5° | 60.0° |
| O7 | C33 | N7 | C38 | 175.2° | 180.0° |
| O7 | C33 | N7 | C39 | 1.6° | 0.0° |
| C35 | C34 | H59 | H60 | 118.5° | 120.0° |
| C34 | C35 | C36 | H61 | 120.2° | 120.0° |
| C34 | C35 | C36 | H62 | 120.2° | 120.0° |
| C34 | C35 | H61 | H62 | 119.6° | 120.0° |
| C34 | C35 | C36 | C37 | 178.0° | 180.0° |
| C34 | C35 | C36 | H63 | 61.9° | 60.0° |
| C34 | C35 | C36 | H64 | 57.8° | 60.0° |
| H59 | C34 | C35 | C36 | 67.0° | 60.0° |
| H59 | C34 | C35 | H61 | 172.8° | 180.0° |
| H59 | C34 | C35 | H62 | 53.1° | 60.0° |
| H60 | C34 | C35 | C36 | 52.0° | 60.0° |
| H60 | C34 | C35 | H61 | 68.2° | 59.9° |
| H60 | C34 | C35 | H62 | 172.2° | 180.0° |
| C36 | C35 | H61 | H62 | 119.5° | 120.0° |
| C35 | C36 | C37 | H63 | 120.1° | 120.0° |
| C35 | C36 | C37 | H64 | 120.1° | 120.0° |
| C35 | C36 | H63 | H64 | 119.6° | 120.1° |
| C35 | C36 | C37 | H65 | 180.0° | 60.0° |
| C35 | C36 | C37 | H66 | 60.0° | 60.0° |
| C35 | C36 | C37 | H67 | 60.0° | 180.0° |
| H61 | C35 | C36 | C37 | 57.8° | 60.0° |
| H61 | C35 | C36 | H63 | 177.9° | 180.0° |
| H61 | C35 | C36 | H64 | 62.3° | 59.9° |
| H62 | C35 | C36 | C37 | 61.9° | 60.1° |
| H62 | C35 | C36 | H63 | 58.3° | 59.9° |
| H62 | C35 | C36 | H64 | 178.0° | 180.0° |
| C37 | C36 | H63 | H64 | 119.6° | 119.9° |
| C36 | C37 | H65 | H66 | 120.0° | 120.0° |
| C36 | C37 | H65 | H67 | 120.0° | 120.1° |
| C36 | C37 | H66 | H67 | 119.9° | 120.0° |
| H63 | C36 | C37 | H65 | 59.9° | 180.0° |
| H63 | C36 | C37 | H66 | 179.9° | 60.1° |
| H63 | C36 | C37 | H67 | 60.1° | 59.9° |
| H64 | C36 | C37 | H65 | 59.8° | 60.0° |
| H64 | C36 | C37 | H66 | 60.2° | 180.0° |
| H64 | C36 | C37 | H67 | 179.9° | 60.0° |
| H65 | C37 | H66 | H67 | 120.0° | 120.0° |
| N7 | C38 | H68 | H69 | 120.0° | 120.0° |
| N7 | C38 | H68 | H70 | 120.0° | 120.0° |
| N7 | C38 | H69 | H70 | 120.0° | 120.0° |
| C38 | N7 | C39 | C33 | 177.0° | 179.9° |
| C38 | N7 | C39 | C40 | 37.5° | 60.0° |
| C38 | N7 | C39 | C41 | 85.6° | 60.1° |
| C38 | N7 | C39 | H71 | 156.2° | 180.0° |
| H68 | C38 | H69 | H70 | 120.0° | 120.0° |
| H68 | C38 | N7 | C39 | 180.0° | 90.0° |
| H68 | C38 | N7 | C33 | 3.1° | 90.0° |
| H69 | C38 | N7 | C39 | 60.0° | 29.9° |
| H69 | C38 | N7 | C33 | 123.1° | 150.0° |
| H70 | C38 | N7 | C39 | 60.0° | 149.9° |
| H70 | C38 | N7 | C33 | 116.9° | 30.0° |
| N7 | C39 | C40 | C41 | 122.8° | 120.0° |
| N7 | C39 | C40 | H71 | 119.1° | 120.0° |
| N7 | C39 | C41 | H71 | 118.6° | 120.0° |
| N7 | C39 | C40 | O8 | 139.2° | 0.0° |
| N7 | C39 | C41 | C42 | 55.6° | 65.0° |
| N7 | C39 | C41 | H72 | 176.2° | 175.0° |
| N7 | C39 | C41 | H73 | 64.9° | 55.0° |
| N7 | C39 | C40 | N8 | 37.6° | 180.0° |
| C40 | C39 | C41 | H71 | 118.1° | 120.0° |
| C39 | C40 | O8 | N8 | 176.6° | 180.0° |
| C40 | C39 | C41 | C42 | 178.8° | 175.0° |
| C40 | C39 | C41 | H72 | 60.6° | 55.0° |
| C40 | C39 | C41 | H73 | 58.3° | 65.0° |
| C39 | C40 | N8 | C45 | 164.8° | 180.0° |
| C39 | C40 | N8 | H81 | 15.2° | 0.0° |
| C40 | C39 | N7 | C33 | 139.5° | 120.0° |
| C41 | C39 | C40 | O8 | 16.4° | 120.0° |
| C39 | C41 | C42 | H72 | 120.5° | 120.0° |
| C39 | C41 | C42 | H73 | 120.5° | 120.0° |
| C39 | C41 | H72 | H73 | 118.3° | 120.0° |
| C39 | C41 | C42 | C43 | 173.6° | 180.0° |
| C39 | C41 | C42 | H74 | 66.3° | 60.0° |
| C39 | C41 | C42 | H75 | 53.4° | 60.0° |
| C41 | C39 | N7 | C33 | 97.3° | 120.0° |
| C41 | C39 | C40 | N8 | 160.4° | 60.0° |
| H71 | C39 | C40 | O8 | 101.7° | 120.0° |
| H71 | C39 | C41 | C42 | 63.0° | 55.0° |
| H71 | C39 | C41 | H72 | 57.5° | 65.0° |
| H71 | C39 | C41 | H73 | 176.5° | 175.0° |
| H71 | C39 | N7 | C33 | 20.8° | 0.1° |
| H71 | C39 | C40 | N8 | 81.5° | 60.0° |
| O8 | C40 | N8 | C45 | 11.9° | 0.0° |
| O8 | C40 | N8 | H81 | 168.1° | 180.0° |
| C42 | C41 | H72 | H73 | 118.4° | 120.0° |
| C41 | C42 | C43 | H74 | 120.1° | 120.0° |
| C41 | C42 | C43 | H75 | 120.1° | 120.1° |
| C41 | C42 | H74 | H75 | 119.6° | 120.1° |
| C41 | C42 | C43 | C44 | 176.2° | 180.0° |
| C41 | C42 | C43 | H76 | 63.7° | 60.0° |
| C41 | C42 | C43 | H77 | 56.0° | 59.9° |
| H72 | C41 | C42 | C43 | 53.0° | 60.1° |
| H72 | C41 | C42 | H74 | 173.2° | 180.0° |
| H72 | C41 | C42 | H75 | 67.1° | 60.0° |
| H73 | C41 | C42 | C43 | 65.9° | 60.0° |
| H73 | C41 | C42 | H74 | 54.2° | 59.9° |
| H73 | C41 | C42 | H75 | 174.0° | 179.9° |
| C43 | C42 | H74 | H75 | 119.6° | 120.0° |
| C42 | C43 | C44 | H76 | 120.1° | 120.0° |
| C42 | C43 | C44 | H77 | 120.2° | 120.1° |
| C42 | C43 | H76 | H77 | 119.6° | 120.0° |
| C42 | C43 | C44 | H78 | 180.0° | 180.0° |
| C42 | C43 | C44 | H79 | 60.0° | 60.0° |
| C42 | C43 | C44 | H80 | 60.0° | 60.0° |
| H74 | C42 | C43 | C44 | 56.0° | 60.0° |
| H74 | C42 | C43 | H76 | 176.2° | 180.0° |
| H74 | C42 | C43 | H77 | 64.1° | 60.0° |
| H75 | C42 | C43 | C44 | 63.7° | 60.0° |
| H75 | C42 | C43 | H76 | 56.4° | 60.0° |
| H75 | C42 | C43 | H77 | 176.1° | NaN° |
| C44 | C43 | H76 | H77 | 119.6° | 119.9° |
| C43 | C44 | H78 | H79 | 120.0° | 120.1° |
| C43 | C44 | H78 | H80 | 120.0° | 120.0° |
| C43 | C44 | H79 | H80 | 120.0° | 120.0° |
| H76 | C43 | C44 | H78 | 59.9° | 60.0° |
| H76 | C43 | C44 | H79 | 179.9° | 180.0° |
| H76 | C43 | C44 | H80 | 60.1° | 60.1° |
| H77 | C43 | C44 | H78 | 59.8° | 60.0° |
| H77 | C43 | C44 | H79 | 60.2° | 60.1° |
| H77 | C43 | C44 | H80 | 179.8° | 180.0° |
| H78 | C44 | H79 | H80 | 120.0° | 119.9° |
| C45 | N8 | H81 | C40 | 180.0° | 180.0° |
| N8 | C45 | C46 | C47 | 124.2° | 120.0° |
| N8 | C45 | C46 | H82 | 117.7° | 120.0° |
| N8 | C45 | C47 | H82 | 117.6° | 120.0° |
| N8 | C45 | C46 | O9 | 106.1° | 0.0° |
| N8 | C45 | C47 | C48 | 168.7° | 65.0° |
| N8 | C45 | C47 | H83 | 48.5° | 55.0° |
| N8 | C45 | C47 | H84 | 71.0° | 175.0° |
| N8 | C45 | C46 | N9 | 74.3° | 180.0° |
| H81 | N8 | C45 | C46 | 113.8° | 24.9° |
| H81 | N8 | C45 | C47 | 12.3° | 95.0° |
| H81 | N8 | C45 | H82 | 129.2° | 145.0° |
| C46 | C45 | C47 | H82 | 118.1° | 120.0° |
| C45 | C46 | O9 | N9 | 179.6° | 179.9° |
| C46 | C45 | C47 | C48 | 66.9° | 175.0° |
| C46 | C45 | C47 | H83 | 172.8° | 65.0° |
| C46 | C45 | C47 | H84 | 53.3° | 55.1° |
| C45 | C46 | N9 | C51 | 169.1° | 180.0° |
| C45 | C46 | N9 | H92 | 10.9° | 0.1° |
| C46 | C45 | N8 | C40 | 66.2° | 155.0° |
| C47 | C45 | C46 | O9 | 18.2° | 120.0° |
| C45 | C47 | C48 | H83 | 120.2° | 120.1° |
| C45 | C47 | C48 | H84 | 120.3° | 119.9° |
| C45 | C47 | H83 | H84 | 119.3° | 120.0° |
| C45 | C47 | C48 | C49 | 176.2° | 180.0° |
| C45 | C47 | C48 | H85 | 63.7° | 60.0° |
| C45 | C47 | C48 | H86 | 56.0° | 60.0° |
| C47 | C45 | N8 | C40 | 167.7° | 85.0° |
| C47 | C45 | C46 | N9 | 161.5° | 60.1° |
| H82 | C45 | C46 | O9 | 136.3° | 120.0° |
| H82 | C45 | C47 | C48 | 51.1° | 55.0° |
| H82 | C45 | C47 | H83 | 69.1° | 175.0° |
| H82 | C45 | C47 | H84 | 171.4° | 65.0° |
| H82 | C45 | N8 | C40 | 50.8° | 35.0° |
| H82 | C45 | C46 | N9 | 43.4° | 60.0° |
| O9 | C46 | N9 | C51 | 10.5° | 0.0° |
| O9 | C46 | N9 | H92 | 169.5° | 180.0° |
| C48 | C47 | H83 | H84 | 119.3° | 120.0° |
| C47 | C48 | C49 | H85 | 120.2° | 120.1° |
| C47 | C48 | C49 | H86 | 120.2° | 120.0° |
| C47 | C48 | H85 | H86 | 119.5° | 120.0° |
| C47 | C48 | C49 | C50 | 178.7° | 180.0° |
| C47 | C48 | C49 | H87 | 61.2° | 60.0° |
| C47 | C48 | C49 | H88 | 58.5° | 60.0° |
| H83 | C47 | C48 | C49 | 55.9° | 59.9° |
| H83 | C47 | C48 | H85 | 176.1° | 180.0° |
| H83 | C47 | C48 | H86 | 64.2° | 60.1° |
| H84 | C47 | C48 | C49 | 63.6° | 60.1° |
| H84 | C47 | C48 | H85 | 56.6° | 60.0° |
| H84 | C47 | C48 | H86 | 176.3° | 179.9° |
| C49 | C48 | H85 | H86 | 119.5° | 120.0° |
| C48 | C49 | C50 | H87 | 120.2° | 120.1° |
| C48 | C49 | C50 | H88 | 120.2° | 120.0° |
| C48 | C49 | H87 | H88 | 119.5° | 120.0° |
| C48 | C49 | C50 | H89 | 180.0° | 60.0° |
| C48 | C49 | C50 | H90 | 60.0° | 60.0° |
| C48 | C49 | C50 | H91 | 60.0° | 180.0° |
| H85 | C48 | C49 | C50 | 58.5° | 60.0° |
| H85 | C48 | C49 | H87 | 178.7° | 180.0° |
| H85 | C48 | C49 | H88 | 61.7° | 60.0° |
| H86 | C48 | C49 | C50 | 61.2° | 60.0° |
| H86 | C48 | C49 | H87 | 59.0° | 60.0° |
| H86 | C48 | C49 | H88 | 178.7° | 180.0° |
| C50 | C49 | H87 | H88 | 119.5° | 119.9° |
| C49 | C50 | H89 | H90 | 120.0° | 119.9° |
| C49 | C50 | H89 | H91 | 120.0° | 120.0° |
| C49 | C50 | H90 | H91 | 120.0° | 120.0° |
| H87 | C49 | C50 | H89 | 59.8° | 180.0° |
| H87 | C49 | C50 | H90 | 179.8° | 60.1° |
| H87 | C49 | C50 | H91 | 60.2° | 60.0° |
| H88 | C49 | C50 | H89 | 59.8° | 60.1° |
| H88 | C49 | C50 | H90 | 60.2° | 180.0° |
| H88 | C49 | C50 | H91 | 179.8° | 59.9° |
| H89 | C50 | H90 | H91 | 120.0° | 120.1° |
| C51 | N9 | H92 | C46 | 180.0° | 180.0° |
| N9 | C51 | C52 | C53 | 123.6° | 120.0° |
| N9 | C51 | C52 | H93 | 119.2° | 120.1° |
| N9 | C51 | C53 | H93 | 116.9° | 120.1° |
| N9 | C51 | C52 | O10 | 130.7° | 0.0° |
| N9 | C51 | C53 | C54 | 57.6° | 65.0° |
| N9 | C51 | C53 | H94 | 178.0° | 175.0° |
| N9 | C51 | C53 | H95 | 62.8° | 55.0° |
| N9 | C51 | C52 | N10 | 50.7° | 180.0° |
| H92 | N9 | C51 | C52 | 101.3° | 25.0° |
| H92 | N9 | C51 | C53 | 23.7° | 95.0° |
| H92 | N9 | C51 | H93 | 140.0° | 145.0° |
| C52 | C51 | C53 | H93 | 117.2° | 119.9° |
| C51 | C52 | O10 | N10 | 178.6° | 180.0° |
| C52 | C51 | C53 | C54 | 176.6° | 175.0° |
| C52 | C51 | C53 | H94 | 56.2° | 55.0° |
| C52 | C51 | C53 | H95 | 63.0° | 65.0° |
| C51 | C52 | N10 | C57 | 173.3° | 180.0° |
| C51 | C52 | N10 | H103 | 6.7° | 0.0° |
| C52 | C51 | N9 | C46 | 78.7° | 155.0° |
| C53 | C51 | C52 | O10 | 7.1° | 120.0° |
| C51 | C53 | C54 | H94 | 120.4° | 120.0° |
| C51 | C53 | C54 | H95 | 120.4° | 120.0° |
| C51 | C53 | H94 | H95 | 118.8° | 119.9° |
| C51 | C53 | C54 | C55 | 176.3° | 180.0° |
| C51 | C53 | C54 | H96 | 63.6° | 60.0° |
| C51 | C53 | C54 | H97 | 56.2° | 60.0° |
| C53 | C51 | C52 | N10 | 174.2° | 60.0° |
| C53 | C51 | N9 | C46 | 156.3° | 85.0° |
| H93 | C51 | C52 | O10 | 110.1° | 120.1° |
| H93 | C51 | C53 | C54 | 59.4° | 55.0° |
| H93 | C51 | C53 | H94 | 61.0° | 65.0° |
| H93 | C51 | C53 | H95 | 179.8° | 175.1° |
| H93 | C51 | C52 | N10 | 68.6° | 59.9° |
| H93 | C51 | N9 | C46 | 40.0° | 35.0° |
| O10 | C52 | N10 | C57 | 5.4° | 0.0° |
| O10 | C52 | N10 | H103 | 174.6° | 180.0° |
| C54 | C53 | H94 | H95 | 118.8° | 120.0° |
| C53 | C54 | C55 | H96 | 120.1° | 120.0° |
| C53 | C54 | C55 | H97 | 120.1° | 120.0° |
| C53 | C54 | H96 | H97 | 119.7° | 120.0° |
| C53 | C54 | C55 | C56 | 179.8° | 180.0° |
| C53 | C54 | C55 | H98 | 60.1° | 60.0° |
| C53 | C54 | C55 | H99 | 59.6° | 60.0° |
| H94 | C53 | C54 | C55 | 55.9° | 60.0° |
| H94 | C53 | C54 | H96 | 176.0° | 180.0° |
| H94 | C53 | C54 | H97 | 64.2° | 60.1° |
| H95 | C53 | C54 | C55 | 63.3° | 60.0° |
| H95 | C53 | C54 | H96 | 56.8° | 60.0° |
| H95 | C53 | C54 | H97 | 176.6° | 180.0° |
| C55 | C54 | H96 | H97 | 119.7° | 120.0° |
| C54 | C55 | C56 | H98 | 120.2° | 120.0° |
| C54 | C55 | C56 | H99 | 120.1° | 120.0° |
| C54 | C55 | H98 | H99 | 119.6° | 120.0° |
| C54 | C55 | C56 | H100 | 180.0° | 60.0° |
| C54 | C55 | C56 | H101 | 60.0° | 60.0° |
| C54 | C55 | C56 | H102 | 60.0° | 180.0° |
| H96 | C54 | C55 | C56 | 59.6° | 60.0° |
| H96 | C54 | C55 | H98 | 179.8° | 180.0° |
| H96 | C54 | C55 | H99 | 60.5° | 60.0° |
| H97 | C54 | C55 | C56 | 60.1° | 60.0° |
| H97 | C54 | C55 | H98 | 60.0° | 60.0° |
| H97 | C54 | C55 | H99 | 179.7° | 180.0° |
| C56 | C55 | H98 | H99 | 119.5° | 120.0° |
| C55 | C56 | H100 | H101 | 120.0° | 119.9° |
| C55 | C56 | H100 | H102 | 120.0° | 120.0° |
| C55 | C56 | H101 | H102 | 120.0° | 120.0° |
| H98 | C55 | C56 | H100 | 59.8° | 180.0° |
| H98 | C55 | C56 | H101 | 179.8° | 60.1° |
| H98 | C55 | C56 | H102 | 60.2° | 60.0° |
| H99 | C55 | C56 | H100 | 59.9° | 60.0° |
| H99 | C55 | C56 | H101 | 60.1° | 180.0° |
| H99 | C55 | C56 | H102 | 179.9° | 60.0° |
| H100 | C56 | H101 | H102 | 120.0° | 120.0° |
| C57 | N10 | H103 | C52 | 180.0° | 180.0° |
| N10 | C57 | C58 | C59 | 124.2° | 120.0° |
| N10 | C57 | C58 | H104 | 119.0° | 120.1° |
| N10 | C57 | C59 | H104 | 118.2° | 120.0° |
| N10 | C57 | C58 | O11 | 153.7° | 0.1° |
| N10 | C57 | C58 | O12 | 27.3° | 180.0° |
| N10 | C57 | C59 | C60 | 47.6° | 65.0° |
| N10 | C57 | C59 | H105 | 72.8° | 55.0° |
| N10 | C57 | C59 | H106 | 168.1° | 175.0° |
| H103 | N10 | C57 | C58 | 121.1° | 95.0° |
| H103 | N10 | C57 | C59 | 2.8° | 25.0° |
| H103 | N10 | C57 | H104 | 120.4° | 144.9° |
| C58 | C57 | C59 | H104 | 116.8° | 120.0° |
| C57 | C58 | O11 | O12 | 178.8° | 179.9° |
| C58 | C57 | C59 | C60 | 172.7° | 175.0° |
| C58 | C57 | C59 | H105 | 52.2° | 65.0° |
| C58 | C57 | C59 | H106 | 66.8° | 55.0° |
| C57 | C58 | O12 | C63 | 160.8° | 180.0° |
| C58 | C57 | N10 | C52 | 58.9° | 85.0° |
| C59 | C57 | C58 | O11 | 82.1° | 120.0° |
| C59 | C57 | C58 | O12 | 96.9° | 60.1° |
| C57 | C59 | C60 | H105 | 120.5° | 120.0° |
| C57 | C59 | C60 | H106 | 120.5° | 120.0° |
| C57 | C59 | H105 | H106 | 118.5° | 120.0° |
| C57 | C59 | C60 | C61 | 157.3° | 180.0° |
| C57 | C59 | C60 | H107 | 37.1° | 60.0° |
| C57 | C59 | C60 | H108 | 82.5° | 60.0° |
| C59 | C57 | N10 | C52 | 177.2° | 155.0° |
| H104 | C57 | C58 | O11 | 34.7° | 120.0° |
| H104 | C57 | C58 | O12 | 146.4° | 59.9° |
| H104 | C57 | C59 | C60 | 70.6° | 55.0° |
| H104 | C57 | C59 | H105 | 169.0° | 175.0° |
| H104 | C57 | C59 | H106 | 49.9° | 65.0° |
| H104 | C57 | N10 | C52 | 59.6° | 35.0° |
| O11 | C58 | O12 | C63 | 18.1° | 0.1° |
| C58 | O12 | C63 | H114 | 180.0° | 59.9° |
| C58 | O12 | C63 | H115 | 60.0° | 60.1° |
| C58 | O12 | C63 | H116 | 60.0° | 180.0° |
| C60 | C59 | H105 | H106 | 118.5° | 120.0° |
| C59 | C60 | C61 | H107 | 120.2° | 120.0° |
| C59 | C60 | C61 | H108 | 120.2° | 120.0° |
| C59 | C60 | H107 | H108 | 119.4° | 120.0° |
| C59 | C60 | C61 | C62 | 170.8° | 180.0° |
| C59 | C60 | C61 | H109 | 50.7° | 60.0° |
| C59 | C60 | C61 | H110 | 69.1° | 60.0° |
| H105 | C59 | C60 | C61 | 82.2° | 60.0° |
| H105 | C59 | C60 | H107 | 157.6° | 180.0° |
| H105 | C59 | C60 | H108 | 38.0° | 60.0° |
| H106 | C59 | C60 | C61 | 36.8° | 60.0° |
| H106 | C59 | C60 | H107 | 83.3° | 60.0° |
| H106 | C59 | C60 | H108 | 157.1° | 180.0° |
| C61 | C60 | H107 | H108 | 119.5° | 120.0° |
| C60 | C61 | C62 | H109 | 120.1° | 120.0° |
| C60 | C61 | C62 | H110 | 120.1° | 120.0° |
| C60 | C61 | H109 | H110 | 119.6° | 120.0° |
| C60 | C61 | C62 | H111 | 180.0° | 179.9° |
| C60 | C61 | C62 | H112 | 60.0° | 60.0° |
| C60 | C61 | C62 | H113 | 60.0° | 60.0° |
| H107 | C60 | C61 | C62 | 69.0° | 60.0° |
| H107 | C60 | C61 | H109 | 170.8° | 180.0° |
| H107 | C60 | C61 | H110 | 51.1° | 60.0° |
| H108 | C60 | C61 | C62 | 50.6° | 60.0° |
| H108 | C60 | C61 | H109 | 69.5° | 60.0° |
| H108 | C60 | C61 | H110 | 170.7° | 180.0° |
| C62 | C61 | H109 | H110 | 119.6° | 120.0° |
| C61 | C62 | H111 | H112 | 120.0° | 120.0° |
| C61 | C62 | H111 | H113 | 120.0° | 120.0° |
| C61 | C62 | H112 | H113 | 120.0° | 120.0° |
| H109 | C61 | C62 | H111 | 59.9° | 60.0° |
| H109 | C61 | C62 | H112 | 179.9° | 180.0° |
| H109 | C61 | C62 | H113 | 60.1° | 60.0° |
| H110 | C61 | C62 | H111 | 59.8° | 59.9° |
| H110 | C61 | C62 | H112 | 60.2° | 60.0° |
| H110 | C61 | C62 | H113 | 179.9° | 180.0° |
| H111 | C62 | H112 | H113 | 120.0° | 120.0° |
| O12 | C63 | H114 | H115 | 120.0° | 119.9° |
| O12 | C63 | H114 | H116 | 120.0° | 120.1° |
| O12 | C63 | H115 | H116 | 120.0° | 120.0° |
| H114 | C63 | H115 | H116 | 119.9° | 120.0° |
