PRD_002323
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C3 | sing | 1.50Å | 1.50Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | O1 | doub | 1.22Å | 1.23Å | |
| N2 | C4 | sing | 1.47Å | 1.51Å | |
| N2 | C5 | sing | 1.48Å | 1.45Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.54Å | 1.54Å | |
| C5 | C10 | sing | 1.51Å | 1.52Å | |
| C5 | H9 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| C7 | C9 | sing | 1.53Å | 1.51Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | O2 | doub | 1.22Å | 1.24Å | |
| N3 | C11 | sing | 1.47Å | 1.50Å | |
| N3 | C12 | sing | 1.48Å | 1.46Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.54Å | 1.54Å | |
| C12 | C17 | sing | 1.51Å | 1.51Å | |
| C12 | H22 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | O3 | doub | 1.22Å | 1.24Å | |
| N4 | C18 | sing | 1.47Å | 1.50Å | |
| N4 | C19 | sing | 1.48Å | 1.47Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.54Å | 1.58Å | |
| C19 | C23 | sing | 1.50Å | 1.53Å | |
| C19 | H35 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C22 | sing | 1.53Å | 1.56Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C22 | H40 | sing | 1.09Å | 1.10Å | |
| C22 | H41 | sing | 1.09Å | 1.10Å | |
| C22 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | O4 | doub | 1.22Å | 1.25Å | |
| N5 | C24 | sing | 1.46Å | 1.51Å | |
| N5 | C25 | sing | 1.48Å | 1.48Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.50Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.60Å | |
| C25 | H46 | sing | 1.09Å | 1.10Å | |
| C26 | O5 | doub | 1.22Å | 1.24Å | |
| C27 | O6 | sing | 1.43Å | 1.43Å | |
| C27 | C28 | sing | 1.53Å | 1.57Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| O6 | H48 | sing | 0.97Å | 0.95Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C28 | C30 | sing | 1.53Å | 1.56Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.51Å | 1.52Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å | |
| C30 | H54 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | doub | 1.31Å | 1.32Å | |
| C31 | H55 | sing | 1.08Å | 1.08Å | |
| C32 | C33 | sing | 1.51Å | 1.52Å | |
| C32 | H56 | sing | 1.08Å | 1.08Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| C33 | H59 | sing | 1.09Å | 1.10Å | |
| N6 | C34 | sing | 1.48Å | 1.46Å | |
| N6 | H60 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.51Å | 1.53Å | |
| C34 | C36 | sing | 1.53Å | 1.53Å | |
| C34 | H61 | sing | 1.08Å | 1.10Å | |
| C35 | O7 | doub | 1.22Å | 1.24Å | |
| C36 | C37 | sing | 1.53Å | 1.55Å | |
| C36 | H62 | sing | 1.09Å | 1.10Å | |
| C36 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å | |
| N7 | C38 | sing | 1.48Å | 1.46Å | |
| N7 | C40 | sing | 1.46Å | 1.50Å | |
| C38 | C39 | sing | 1.50Å | 1.53Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| C38 | H68 | sing | 1.09Å | 1.10Å | |
| C39 | O8 | doub | 1.21Å | 1.24Å | |
| C40 | H69 | sing | 1.09Å | 1.10Å | |
| C40 | H70 | sing | 1.09Å | 1.10Å | |
| C40 | H71 | sing | 1.09Å | 1.10Å | |
| N8 | C41 | sing | 1.47Å | 1.46Å | |
| N8 | C47 | sing | 1.47Å | 1.50Å | |
| C41 | C42 | sing | 1.53Å | 1.54Å | |
| C41 | C46 | sing | 1.50Å | 1.51Å | |
| C41 | H72 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 1.51Å | |
| C42 | H73 | sing | 1.09Å | 1.10Å | |
| C42 | H74 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.53Å | 1.51Å | |
| C43 | C45 | sing | 1.53Å | 1.52Å | |
| C43 | O10 | sing | 1.43Å | 1.43Å | |
| C44 | H75 | sing | 1.09Å | 1.10Å | |
| C44 | H76 | sing | 1.09Å | 1.10Å | |
| C44 | H77 | sing | 1.09Å | 1.10Å | |
| C45 | H78 | sing | 1.09Å | 1.10Å | |
| C45 | H79 | sing | 1.09Å | 1.10Å | |
| C45 | H80 | sing | 1.09Å | 1.10Å | |
| C46 | O9 | doub | 1.21Å | 1.24Å | |
| C47 | H81 | sing | 1.09Å | 1.10Å | |
| C47 | H82 | sing | 1.09Å | 1.10Å | |
| C47 | H83 | sing | 1.09Å | 1.10Å | |
| O10 | H84 | sing | 0.97Å | 0.95Å | |
| N9 | C48 | sing | 1.47Å | 1.46Å | |
| N9 | H85 | sing | 0.97Å | 1.00Å | |
| C48 | C49 | sing | 1.50Å | 1.53Å | |
| C48 | C50 | sing | 1.53Å | 1.53Å | |
| C48 | H86 | sing | 1.10Å | 1.10Å | |
| C49 | O11 | doub | 1.23Å | 1.24Å | |
| C50 | C51 | sing | 1.53Å | 1.52Å | |
| C50 | C52 | sing | 1.53Å | 1.52Å | |
| C50 | H87 | sing | 1.09Å | 1.10Å | |
| C51 | H88 | sing | 1.09Å | 1.10Å | |
| C51 | H89 | sing | 1.09Å | 1.10Å | |
| C51 | H90 | sing | 1.09Å | 1.10Å | |
| C52 | H91 | sing | 1.09Å | 1.10Å | |
| C52 | H92 | sing | 1.09Å | 1.10Å | |
| C52 | H93 | sing | 1.09Å | 1.10Å | |
| N10 | C53 | sing | 1.46Å | 1.50Å | |
| N10 | C54 | sing | 1.48Å | 1.45Å | |
| C53 | H94 | sing | 1.09Å | 1.10Å | |
| C53 | H95 | sing | 1.09Å | 1.10Å | |
| C53 | H96 | sing | 1.09Å | 1.10Å | |
| C54 | C55 | sing | 1.53Å | 1.56Å | |
| C54 | C59 | sing | 1.50Å | 1.52Å | |
| C54 | H97 | sing | 1.10Å | 1.10Å | |
| C55 | C56 | sing | 1.53Å | 1.56Å | |
| C55 | H98 | sing | 1.09Å | 1.10Å | |
| C55 | H99 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | sing | 1.53Å | 1.52Å | |
| C56 | C58 | sing | 1.53Å | 1.53Å | |
| C56 | H100 | sing | 1.09Å | 1.10Å | |
| C57 | H101 | sing | 1.09Å | 1.10Å | |
| C57 | H102 | sing | 1.09Å | 1.10Å | |
| C57 | H103 | sing | 1.09Å | 1.10Å | |
| C58 | H104 | sing | 1.09Å | 1.10Å | |
| C58 | H105 | sing | 1.09Å | 1.10Å | |
| C58 | H106 | sing | 1.09Å | 1.10Å | |
| C59 | O12 | doub | 1.22Å | 1.24Å | |
| N11 | C60 | sing | 1.48Å | 1.45Å | |
| N11 | H107 | sing | 0.97Å | 1.00Å | |
| C60 | C61 | sing | 1.50Å | 1.52Å | |
| C60 | C62 | sing | 1.53Å | 1.52Å | |
| C60 | H108 | sing | 1.09Å | 1.10Å | |
| C61 | O13 | doub | 1.22Å | 1.24Å | |
| C62 | H109 | sing | 1.09Å | 1.10Å | |
| C62 | H110 | sing | 1.09Å | 1.10Å | |
| C62 | H111 | sing | 1.09Å | 1.10Å | |
| C3 | N2 | sing | 1.35Å | 1.33Å | |
| N1 | C61 | sing | 1.34Å | 1.32Å | |
| C10 | N3 | sing | 1.36Å | 1.35Å | |
| C17 | N4 | sing | 1.35Å | 1.35Å | |
| C23 | N5 | sing | 1.36Å | 1.35Å | |
| C26 | N6 | sing | 1.36Å | 1.33Å | |
| C35 | N7 | sing | 1.36Å | 1.34Å | |
| C39 | N8 | sing | 1.36Å | 1.35Å | |
| C46 | N9 | sing | 1.37Å | 1.32Å | |
| C49 | N10 | sing | 1.36Å | 1.34Å | |
| C59 | N11 | sing | 1.37Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 120.3° | 118.9° |
| N1 | C1 | C2 | 111.5° | 108.4° |
| N1 | C1 | C3 | 106.9° | 109.3° |
| N1 | C1 | H2 | 110.7° | 109.0° |
| C1 | N1 | C61 | 119.4° | 121.1° |
| H1 | N1 | C61 | 120.3° | 120.1° |
| C2 | C1 | C3 | 108.2° | 109.7° |
| C2 | C1 | H2 | 109.6° | 109.7° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| C1 | C2 | H5 | 109.5° | 109.5° |
| C3 | C1 | H2 | 109.9° | 110.6° |
| C1 | C3 | O1 | 117.6° | 118.8° |
| C1 | C3 | N2 | 120.5° | 122.6° |
| H3 | C2 | H4 | 109.5° | 109.4° |
| H3 | C2 | H5 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| O1 | C3 | N2 | 121.9° | 118.5° |
| C4 | N2 | C5 | 119.0° | 120.5° |
| N2 | C4 | H6 | 109.5° | 109.5° |
| N2 | C4 | H7 | 109.4° | 109.4° |
| N2 | C4 | H8 | 109.5° | 109.5° |
| C4 | N2 | C3 | 124.5° | 120.2° |
| N2 | C5 | C6 | 108.7° | 108.6° |
| N2 | C5 | C10 | 109.7° | 109.1° |
| N2 | C5 | H9 | 109.5° | 109.8° |
| C5 | N2 | C3 | 116.1° | 119.3° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H6 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.4° |
| C6 | C5 | C10 | 111.9° | 109.1° |
| C6 | C5 | H9 | 108.3° | 109.0° |
| C5 | C6 | C7 | 117.0° | 109.5° |
| C5 | C6 | H10 | 107.6° | 109.5° |
| C5 | C6 | H11 | 107.6° | 109.5° |
| C10 | C5 | H9 | 108.6° | 111.1° |
| C5 | C10 | O2 | 119.8° | 119.3° |
| C5 | C10 | N3 | 120.1° | 121.0° |
| C7 | C6 | H10 | 107.5° | 109.5° |
| C7 | C6 | H11 | 107.5° | 109.5° |
| C6 | C7 | C8 | 108.6° | 109.5° |
| C6 | C7 | C9 | 111.0° | 109.5° |
| C6 | C7 | H12 | 108.7° | 109.5° |
| H10 | C6 | H11 | 109.4° | 109.5° |
| C8 | C7 | C9 | 110.1° | 109.5° |
| C8 | C7 | H12 | 109.2° | 109.5° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C7 | C8 | H14 | 109.5° | 109.5° |
| C7 | C8 | H15 | 109.5° | 109.5° |
| C9 | C7 | H12 | 109.1° | 109.5° |
| C7 | C9 | H16 | 109.5° | 109.5° |
| C7 | C9 | H17 | 109.5° | 109.5° |
| C7 | C9 | H18 | 109.4° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H15 | 109.4° | 109.5° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.4° |
| H16 | C9 | H18 | 109.4° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.4° |
| O2 | C10 | N3 | 120.0° | 119.7° |
| C11 | N3 | C12 | 120.1° | 121.2° |
| N3 | C11 | H19 | 109.5° | 109.4° |
| N3 | C11 | H20 | 109.5° | 109.5° |
| N3 | C11 | H21 | 109.5° | 109.4° |
| C11 | N3 | C10 | 123.6° | 122.9° |
| N3 | C12 | C13 | 109.7° | 109.1° |
| N3 | C12 | C17 | 112.3° | 108.9° |
| N3 | C12 | H22 | 108.6° | 109.8° |
| C12 | N3 | C10 | 115.6° | 115.8° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H19 | C11 | H21 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.4° | 109.5° |
| C13 | C12 | C17 | 110.4° | 108.3° |
| C13 | C12 | H22 | 107.7° | 108.8° |
| C12 | C13 | C14 | 115.5° | 109.5° |
| C12 | C13 | H23 | 107.9° | 109.5° |
| C12 | C13 | H24 | 108.0° | 109.4° |
| C17 | C12 | H22 | 108.0° | 111.8° |
| C12 | C17 | O3 | 118.0° | 118.2° |
| C12 | C17 | N4 | 120.8° | 122.6° |
| C14 | C13 | H23 | 108.0° | 109.5° |
| C14 | C13 | H24 | 108.0° | 109.5° |
| C13 | C14 | C15 | 108.6° | 109.5° |
| C13 | C14 | C16 | 110.7° | 109.5° |
| C13 | C14 | H25 | 109.0° | 109.5° |
| H23 | C13 | H24 | 109.5° | 109.5° |
| C15 | C14 | C16 | 110.2° | 109.5° |
| C15 | C14 | H25 | 109.2° | 109.4° |
| C14 | C15 | H26 | 109.5° | 109.5° |
| C14 | C15 | H27 | 109.5° | 109.5° |
| C14 | C15 | H28 | 109.4° | 109.4° |
| C16 | C14 | H25 | 109.1° | 109.5° |
| C14 | C16 | H29 | 109.5° | 109.5° |
| C14 | C16 | H30 | 109.4° | 109.5° |
| C14 | C16 | H31 | 109.5° | 109.5° |
| H26 | C15 | H27 | 109.4° | 109.5° |
| H26 | C15 | H28 | 109.5° | 109.5° |
| H27 | C15 | H28 | 109.5° | 109.4° |
| H29 | C16 | H30 | 109.5° | 109.5° |
| H29 | C16 | H31 | 109.4° | 109.5° |
| H30 | C16 | H31 | 109.5° | 109.4° |
| O3 | C17 | N4 | 121.2° | 119.1° |
| C18 | N4 | C19 | 118.2° | 120.1° |
| N4 | C18 | H32 | 109.5° | 109.5° |
| N4 | C18 | H33 | 109.4° | 109.4° |
| N4 | C18 | H34 | 109.5° | 109.5° |
| C18 | N4 | C17 | 125.1° | 123.3° |
| N4 | C19 | C20 | 110.8° | 108.4° |
| N4 | C19 | C23 | 107.6° | 109.2° |
| N4 | C19 | H35 | 109.6° | 109.1° |
| C19 | N4 | C17 | 116.2° | 116.5° |
| H32 | C18 | H33 | 109.5° | 109.5° |
| H32 | C18 | H34 | 109.5° | 109.5° |
| H33 | C18 | H34 | 109.4° | 109.4° |
| C20 | C19 | C23 | 111.9° | 109.1° |
| C20 | C19 | H35 | 108.1° | 108.8° |
| C19 | C20 | C21 | 108.3° | 109.4° |
| C19 | C20 | C22 | 111.5° | 109.4° |
| C19 | C20 | H36 | 109.7° | 109.5° |
| C23 | C19 | H35 | 108.7° | 112.2° |
| C19 | C23 | O4 | 119.7° | 118.9° |
| C19 | C23 | N5 | 117.2° | 121.9° |
| C21 | C20 | C22 | 106.8° | 109.5° |
| C21 | C20 | H36 | 110.5° | 109.5° |
| C20 | C21 | H37 | 109.5° | 109.5° |
| C20 | C21 | H38 | 109.4° | 109.4° |
| C20 | C21 | H39 | 109.5° | 109.5° |
| C22 | C20 | H36 | 109.9° | 109.5° |
| C20 | C22 | H40 | 109.5° | 109.5° |
| C20 | C22 | H41 | 109.5° | 109.4° |
| C20 | C22 | H42 | 109.5° | 109.5° |
| H37 | C21 | H38 | 109.5° | 109.5° |
| H37 | C21 | H39 | 109.4° | 109.5° |
| H38 | C21 | H39 | 109.5° | 109.4° |
| H40 | C22 | H41 | 109.5° | 109.4° |
| H40 | C22 | H42 | 109.4° | 109.5° |
| H41 | C22 | H42 | 109.5° | 109.5° |
| O4 | C23 | N5 | 122.7° | 119.2° |
| C24 | N5 | C25 | 118.7° | 121.9° |
| N5 | C24 | H43 | 109.5° | 109.5° |
| N5 | C24 | H44 | 109.5° | 109.5° |
| N5 | C24 | H45 | 109.5° | 109.5° |
| C24 | N5 | C23 | 124.2° | 123.5° |
| N5 | C25 | C26 | 114.0° | 110.5° |
| N5 | C25 | C27 | 113.7° | 108.3° |
| N5 | C25 | H46 | 107.5° | 109.1° |
| C25 | N5 | C23 | 114.4° | 114.6° |
| H43 | C24 | H44 | 109.5° | 109.5° |
| H43 | C24 | H45 | 109.4° | 109.4° |
| H44 | C24 | H45 | 109.5° | 109.4° |
| C26 | C25 | C27 | 108.2° | 110.6° |
| C26 | C25 | H46 | 106.9° | 109.2° |
| C25 | C26 | O5 | 123.3° | 120.5° |
| C25 | C26 | N6 | 115.1° | 120.4° |
| C27 | C25 | H46 | 106.1° | 109.0° |
| C25 | C27 | O6 | 109.3° | 109.4° |
| C25 | C27 | C28 | 112.0° | 109.4° |
| C25 | C27 | H47 | 108.3° | 109.5° |
| O5 | C26 | N6 | 121.4° | 119.1° |
| O6 | C27 | C28 | 108.0° | 109.5° |
| O6 | C27 | H47 | 110.6° | 109.5° |
| C27 | O6 | H48 | 109.5° | 114.0° |
| C28 | C27 | H47 | 108.6° | 109.5° |
| C27 | C28 | C29 | 110.3° | 109.5° |
| C27 | C28 | C30 | 109.5° | 109.5° |
| C27 | C28 | H49 | 108.1° | 109.5° |
| C29 | C28 | C30 | 112.3° | 109.4° |
| C29 | C28 | H49 | 108.3° | 109.5° |
| C28 | C29 | H50 | 109.5° | 109.4° |
| C28 | C29 | H51 | 109.4° | 109.5° |
| C28 | C29 | H52 | 109.5° | 109.5° |
| C30 | C28 | H49 | 108.2° | 109.5° |
| C28 | C30 | C31 | 116.4° | 109.5° |
| C28 | C30 | H53 | 107.7° | 109.4° |
| C28 | C30 | H54 | 107.7° | 109.5° |
| H50 | C29 | H51 | 109.4° | 109.5° |
| H50 | C29 | H52 | 109.5° | 109.4° |
| H51 | C29 | H52 | 109.5° | 109.5° |
| C31 | C30 | H53 | 107.7° | 109.5° |
| C31 | C30 | H54 | 107.7° | 109.5° |
| C30 | C31 | C32 | 122.8° | 120.0° |
| C30 | C31 | H55 | 118.6° | 120.0° |
| H53 | C30 | H54 | 109.5° | 109.5° |
| C32 | C31 | H55 | 118.6° | 120.0° |
| C31 | C32 | C33 | 119.8° | 120.0° |
| C31 | C32 | H56 | 120.1° | 120.0° |
| C33 | C32 | H56 | 120.1° | 120.0° |
| C32 | C33 | H57 | 109.5° | 109.5° |
| C32 | C33 | H58 | 109.5° | 109.5° |
| C32 | C33 | H59 | 109.5° | 109.5° |
| H57 | C33 | H58 | 109.4° | 109.5° |
| H57 | C33 | H59 | 109.5° | 109.4° |
| H58 | C33 | H59 | 109.5° | 109.5° |
| C34 | N6 | H60 | 119.0° | 118.9° |
| N6 | C34 | C35 | 111.0° | 108.1° |
| N6 | C34 | C36 | 107.7° | 108.6° |
| N6 | C34 | H61 | 109.8° | 109.4° |
| C34 | N6 | C26 | 122.0° | 117.9° |
| H60 | N6 | C26 | 119.0° | 123.1° |
| C35 | C34 | C36 | 110.7° | 109.5° |
| C35 | C34 | H61 | 108.8° | 111.0° |
| C34 | C35 | O7 | 119.1° | 118.9° |
| C34 | C35 | N7 | 120.1° | 121.7° |
| C36 | C34 | H61 | 108.8° | 110.2° |
| C34 | C36 | C37 | 112.6° | 109.4° |
| C34 | C36 | H62 | 108.7° | 109.5° |
| C34 | C36 | H63 | 108.7° | 109.5° |
| O7 | C35 | N7 | 120.7° | 119.4° |
| C37 | C36 | H62 | 108.7° | 109.4° |
| C37 | C36 | H63 | 108.7° | 109.5° |
| C36 | C37 | H64 | 109.5° | 109.5° |
| C36 | C37 | H65 | 109.5° | 109.5° |
| C36 | C37 | H66 | 109.5° | 109.5° |
| H62 | C36 | H63 | 109.5° | 109.5° |
| H64 | C37 | H65 | 109.5° | 109.5° |
| H64 | C37 | H66 | 109.4° | 109.4° |
| H65 | C37 | H66 | 109.4° | 109.5° |
| C38 | N7 | C40 | 116.7° | 121.3° |
| N7 | C38 | C39 | 111.8° | 110.0° |
| N7 | C38 | H67 | 108.9° | 108.5° |
| N7 | C38 | H68 | 108.9° | 109.3° |
| C38 | N7 | C35 | 118.9° | 115.2° |
| N7 | C40 | H69 | 109.5° | 109.5° |
| N7 | C40 | H70 | 109.5° | 109.5° |
| N7 | C40 | H71 | 109.5° | 109.5° |
| C40 | N7 | C35 | 124.4° | 123.5° |
| C39 | C38 | H67 | 108.9° | 109.7° |
| C39 | C38 | H68 | 108.9° | 110.1° |
| C38 | C39 | O8 | 117.8° | 120.6° |
| C38 | C39 | N8 | 122.1° | 119.7° |
| H67 | C38 | H68 | 109.5° | 109.3° |
| O8 | C39 | N8 | 120.1° | 119.7° |
| H69 | C40 | H70 | 109.5° | 109.5° |
| H69 | C40 | H71 | 109.5° | 109.5° |
| H70 | C40 | H71 | 109.4° | 109.4° |
| C41 | N8 | C47 | 119.1° | 122.0° |
| N8 | C41 | C42 | 112.4° | 109.4° |
| N8 | C41 | C46 | 107.0° | 110.7° |
| N8 | C41 | H72 | 110.2° | 109.4° |
| C41 | N8 | C39 | 119.4° | 116.4° |
| N8 | C47 | H81 | 109.5° | 109.4° |
| N8 | C47 | H82 | 109.5° | 109.4° |
| N8 | C47 | H83 | 109.4° | 109.5° |
| C47 | N8 | C39 | 121.2° | 121.6° |
| C42 | C41 | C46 | 108.4° | 109.4° |
| C42 | C41 | H72 | 109.2° | 109.0° |
| C41 | C42 | C43 | 118.8° | 109.4° |
| C41 | C42 | H73 | 107.1° | 109.5° |
| C41 | C42 | H74 | 107.1° | 109.5° |
| C46 | C41 | H72 | 109.5° | 109.0° |
| C41 | C46 | O9 | 120.6° | 120.4° |
| C41 | C46 | N9 | 118.5° | 119.1° |
| C43 | C42 | H73 | 107.1° | 109.5° |
| C43 | C42 | H74 | 107.1° | 109.4° |
| C42 | C43 | C44 | 108.8° | 109.5° |
| C42 | C43 | C45 | 110.0° | 109.5° |
| C42 | C43 | O10 | 110.0° | 109.5° |
| H73 | C42 | H74 | 109.4° | 109.5° |
| C44 | C43 | C45 | 108.9° | 109.5° |
| C44 | C43 | O10 | 109.8° | 109.5° |
| C43 | C44 | H75 | 109.5° | 109.4° |
| C43 | C44 | H76 | 109.5° | 109.5° |
| C43 | C44 | H77 | 109.4° | 109.5° |
| C45 | C43 | O10 | 109.3° | 109.4° |
| C43 | C45 | H78 | 109.5° | 109.5° |
| C43 | C45 | H79 | 109.5° | 109.5° |
| C43 | C45 | H80 | 109.5° | 109.5° |
| C43 | O10 | H84 | 109.5° | 114.0° |
| H75 | C44 | H76 | 109.4° | 109.4° |
| H75 | C44 | H77 | 109.5° | 109.4° |
| H76 | C44 | H77 | 109.5° | 109.5° |
| H78 | C45 | H79 | 109.5° | 109.5° |
| H78 | C45 | H80 | 109.4° | 109.4° |
| H79 | C45 | H80 | 109.5° | 109.4° |
| O9 | C46 | N9 | 120.9° | 120.5° |
| H81 | C47 | H82 | 109.4° | 109.5° |
| H81 | C47 | H83 | 109.5° | 109.5° |
| H82 | C47 | H83 | 109.5° | 109.5° |
| C48 | N9 | H85 | 120.2° | 123.0° |
| N9 | C48 | C49 | 109.5° | 111.2° |
| N9 | C48 | C50 | 108.2° | 110.8° |
| N9 | C48 | H86 | 109.4° | 108.2° |
| C48 | N9 | C46 | 119.7° | 116.1° |
| H85 | N9 | C46 | 120.1° | 120.8° |
| C49 | C48 | C50 | 112.7° | 111.4° |
| C49 | C48 | H86 | 108.6° | 107.7° |
| C48 | C49 | O11 | 118.3° | 117.8° |
| C48 | C49 | N10 | 119.6° | 124.3° |
| C50 | C48 | H86 | 108.5° | 107.4° |
| C48 | C50 | C51 | 110.7° | 109.5° |
| C48 | C50 | C52 | 108.8° | 109.5° |
| C48 | C50 | H87 | 109.6° | 109.5° |
| O11 | C49 | N10 | 122.0° | 117.9° |
| C51 | C50 | C52 | 108.2° | 109.4° |
| C51 | C50 | H87 | 109.8° | 109.5° |
| C50 | C51 | H88 | 109.5° | 109.5° |
| C50 | C51 | H89 | 109.5° | 109.5° |
| C50 | C51 | H90 | 109.5° | 109.5° |
| C52 | C50 | H87 | 109.7° | 109.4° |
| C50 | C52 | H91 | 109.5° | 109.5° |
| C50 | C52 | H92 | 109.5° | 109.5° |
| C50 | C52 | H93 | 109.4° | 109.5° |
| H88 | C51 | H89 | 109.5° | 109.5° |
| H88 | C51 | H90 | 109.4° | 109.5° |
| H89 | C51 | H90 | 109.5° | 109.4° |
| H91 | C52 | H92 | 109.4° | 109.5° |
| H91 | C52 | H93 | 109.5° | 109.4° |
| H92 | C52 | H93 | 109.5° | 109.5° |
| C53 | N10 | C54 | 118.6° | 120.5° |
| N10 | C53 | H94 | 109.5° | 109.4° |
| N10 | C53 | H95 | 109.5° | 109.5° |
| N10 | C53 | H96 | 109.5° | 109.5° |
| C53 | N10 | C49 | 125.5° | 124.7° |
| N10 | C54 | C55 | 111.7° | 109.6° |
| N10 | C54 | C59 | 109.5° | 110.6° |
| N10 | C54 | H97 | 109.1° | 108.6° |
| C54 | N10 | C49 | 115.4° | 114.8° |
| H94 | C53 | H95 | 109.5° | 109.5° |
| H94 | C53 | H96 | 109.5° | 109.4° |
| H95 | C53 | H96 | 109.5° | 109.5° |
| C55 | C54 | C59 | 110.7° | 110.5° |
| C55 | C54 | H97 | 107.7° | 108.8° |
| C54 | C55 | C56 | 119.3° | 109.5° |
| C54 | C55 | H98 | 106.9° | 109.5° |
| C54 | C55 | H99 | 106.9° | 109.5° |
| C59 | C54 | H97 | 108.2° | 108.7° |
| C54 | C59 | O12 | 123.9° | 119.5° |
| C54 | C59 | N11 | 114.8° | 120.8° |
| C56 | C55 | H98 | 107.0° | 109.5° |
| C56 | C55 | H99 | 107.0° | 109.4° |
| C55 | C56 | C57 | 108.3° | 109.4° |
| C55 | C56 | C58 | 111.6° | 109.5° |
| C55 | C56 | H100 | 108.2° | 109.5° |
| H98 | C55 | H99 | 109.5° | 109.4° |
| C57 | C56 | C58 | 111.3° | 109.5° |
| C57 | C56 | H100 | 108.7° | 109.5° |
| C56 | C57 | H101 | 109.5° | 109.4° |
| C56 | C57 | H102 | 109.5° | 109.5° |
| C56 | C57 | H103 | 109.4° | 109.4° |
| C58 | C56 | H100 | 108.5° | 109.5° |
| C56 | C58 | H104 | 109.5° | 109.5° |
| C56 | C58 | H105 | 109.5° | 109.5° |
| C56 | C58 | H106 | 109.5° | 109.5° |
| H101 | C57 | H102 | 109.5° | 109.5° |
| H101 | C57 | H103 | 109.5° | 109.5° |
| H102 | C57 | H103 | 109.5° | 109.5° |
| H104 | C58 | H105 | 109.5° | 109.5° |
| H104 | C58 | H106 | 109.5° | 109.4° |
| H105 | C58 | H106 | 109.5° | 109.5° |
| O12 | C59 | N11 | 120.7° | 119.8° |
| C60 | N11 | H107 | 119.9° | 120.8° |
| N11 | C60 | C61 | 108.3° | 109.7° |
| N11 | C60 | C62 | 109.7° | 109.4° |
| N11 | C60 | H108 | 110.7° | 109.6° |
| C60 | N11 | C59 | 120.2° | 115.9° |
| H107 | N11 | C59 | 119.9° | 123.3° |
| C61 | C60 | C62 | 108.8° | 109.7° |
| C61 | C60 | H108 | 109.7° | 109.3° |
| C60 | C61 | O13 | 123.5° | 119.4° |
| C60 | C61 | N1 | 114.3° | 120.9° |
| C62 | C60 | H108 | 109.7° | 109.1° |
| C60 | C62 | H109 | 109.5° | 109.5° |
| C60 | C62 | H110 | 109.4° | 109.5° |
| C60 | C62 | H111 | 109.5° | 109.4° |
| O13 | C61 | N1 | 122.1° | 119.7° |
| H109 | C62 | H110 | 109.5° | 109.5° |
| H109 | C62 | H111 | 109.5° | 109.4° |
| H110 | C62 | H111 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C61 | 180.0° | 179.3° |
| N1 | C1 | C2 | C3 | 117.2° | 119.3° |
| N1 | C1 | C2 | H2 | 122.9° | 119.0° |
| N1 | C1 | C3 | H2 | 120.2° | 120.1° |
| N1 | C1 | C2 | H3 | 180.0° | 58.5° |
| N1 | C1 | C2 | H4 | 60.0° | 178.5° |
| N1 | C1 | C2 | H5 | 60.0° | 61.5° |
| N1 | C1 | C3 | O1 | 37.0° | 32.3° |
| C1 | N1 | C61 | C60 | 175.4° | 178.6° |
| C1 | N1 | C61 | O13 | 4.0° | 1.5° |
| N1 | C1 | C3 | N2 | 144.8° | 147.9° |
| H1 | N1 | C1 | C2 | 31.2° | 73.1° |
| H1 | N1 | C1 | C3 | 86.8° | 46.4° |
| H1 | N1 | C1 | H2 | 153.5° | 167.4° |
| H1 | N1 | C61 | C60 | 4.6° | 2.1° |
| H1 | N1 | C61 | O13 | 176.0° | 177.8° |
| C2 | C1 | C3 | H2 | 119.6° | 121.2° |
| C1 | C2 | H3 | H4 | 120.0° | 119.9° |
| C1 | C2 | H3 | H5 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 120.0° | 120.0° |
| C2 | C1 | C3 | O1 | 83.2° | 86.5° |
| C2 | C1 | C3 | N2 | 95.0° | 93.4° |
| C2 | C1 | N1 | C61 | 148.8° | 106.2° |
| C3 | C1 | C2 | H3 | 62.8° | 177.8° |
| C3 | C1 | C2 | H4 | 57.3° | 62.3° |
| C3 | C1 | C2 | H5 | 177.3° | 57.7° |
| C1 | C3 | O1 | N2 | 178.2° | 179.9° |
| C1 | C3 | N2 | C4 | 7.7° | 173.1° |
| C1 | C3 | N2 | C5 | 179.8° | 7.1° |
| C3 | C1 | N1 | C61 | 93.2° | 134.3° |
| H2 | C1 | C2 | H3 | 57.1° | 60.5° |
| H2 | C1 | C2 | H4 | 177.1° | 59.4° |
| H2 | C1 | C2 | H5 | 62.9° | 179.5° |
| H2 | C1 | C3 | O1 | 157.2° | 152.3° |
| H2 | C1 | C3 | N2 | 24.6° | 27.8° |
| H2 | C1 | N1 | C61 | 26.5° | 13.2° |
| H3 | C2 | H4 | H5 | 120.0° | 120.0° |
| O1 | C3 | N2 | C4 | 174.2° | 7.1° |
| O1 | C3 | N2 | C5 | 1.7° | 172.8° |
| C4 | N2 | C5 | C3 | 172.9° | 179.8° |
| N2 | C4 | H6 | H7 | 120.0° | 120.0° |
| N2 | C4 | H6 | H8 | 120.0° | 120.0° |
| N2 | C4 | H7 | H8 | 120.0° | 120.0° |
| C4 | N2 | C5 | C6 | 73.7° | 33.8° |
| C4 | N2 | C5 | C10 | 49.0° | 85.1° |
| C4 | N2 | C5 | H9 | 168.1° | 152.9° |
| C5 | N2 | C4 | H6 | 180.0° | 179.8° |
| C5 | N2 | C4 | H7 | 60.0° | 59.8° |
| C5 | N2 | C4 | H8 | 60.0° | 60.2° |
| N2 | C5 | C6 | C10 | 121.3° | 118.8° |
| N2 | C5 | C6 | H9 | 118.9° | 119.6° |
| N2 | C5 | C10 | H9 | 119.6° | 121.2° |
| N2 | C5 | C6 | C7 | 64.6° | 65.0° |
| N2 | C5 | C6 | H10 | 56.5° | 55.0° |
| N2 | C5 | C6 | H11 | 174.3° | 175.0° |
| N2 | C5 | C10 | O2 | 104.5° | 36.6° |
| N2 | C5 | C10 | N3 | 71.3° | 144.7° |
| H6 | C4 | H7 | H8 | 120.0° | 120.0° |
| H6 | C4 | N2 | C3 | 7.8° | 0.1° |
| H7 | C4 | N2 | C3 | 112.3° | 120.1° |
| H8 | C4 | N2 | C3 | 127.8° | 120.0° |
| C6 | C5 | C10 | H9 | 119.6° | 120.3° |
| C5 | C6 | C7 | H10 | 121.1° | 120.0° |
| C5 | C6 | C7 | H11 | 121.1° | 120.0° |
| C5 | C6 | H10 | H11 | 116.6° | 120.0° |
| C5 | C6 | C7 | C8 | 173.0° | 175.0° |
| C5 | C6 | C7 | C9 | 65.7° | 65.0° |
| C5 | C6 | C7 | H12 | 54.3° | 55.0° |
| C6 | C5 | C10 | O2 | 16.3° | 81.8° |
| C6 | C5 | N2 | C3 | 113.5° | 146.4° |
| C6 | C5 | C10 | N3 | 167.9° | 96.8° |
| C10 | C5 | C6 | C7 | 174.1° | 176.2° |
| C10 | C5 | C6 | H10 | 64.8° | 63.8° |
| C10 | C5 | C6 | H11 | 52.9° | 56.2° |
| C5 | C10 | O2 | N3 | 175.8° | 178.6° |
| C5 | C10 | N3 | C11 | 10.5° | 11.1° |
| C5 | C10 | N3 | C12 | 179.2° | 168.1° |
| C10 | C5 | N2 | C3 | 123.8° | 94.7° |
| H9 | C5 | C6 | C7 | 54.3° | 54.6° |
| H9 | C5 | C6 | H10 | 175.4° | 174.6° |
| H9 | C5 | C6 | H11 | 66.8° | 65.4° |
| H9 | C5 | C10 | O2 | 135.9° | 157.9° |
| H9 | C5 | N2 | C3 | 4.7° | 27.3° |
| H9 | C5 | C10 | N3 | 48.3° | 23.5° |
| C7 | C6 | H10 | H11 | 116.5° | 120.0° |
| C6 | C7 | C8 | C9 | 121.8° | 120.0° |
| C6 | C7 | C8 | H12 | 118.4° | 120.0° |
| C6 | C7 | C9 | H12 | 119.8° | 120.0° |
| C6 | C7 | C8 | H13 | 180.0° | 60.0° |
| C6 | C7 | C8 | H14 | 60.0° | 180.0° |
| C6 | C7 | C8 | H15 | 60.0° | 60.0° |
| C6 | C7 | C9 | H16 | 180.0° | 60.0° |
| C6 | C7 | C9 | H17 | 60.0° | 180.0° |
| C6 | C7 | C9 | H18 | 60.0° | 60.0° |
| H10 | C6 | C7 | C8 | 51.9° | 55.0° |
| H10 | C6 | C7 | C9 | 173.1° | 175.0° |
| H10 | C6 | C7 | H12 | 66.8° | 65.0° |
| H11 | C6 | C7 | C8 | 65.9° | 65.0° |
| H11 | C6 | C7 | C9 | 55.4° | 55.0° |
| H11 | C6 | C7 | H12 | 175.4° | 175.0° |
| C8 | C7 | C9 | H12 | 119.8° | 120.1° |
| C7 | C8 | H13 | H14 | 120.0° | 120.0° |
| C7 | C8 | H13 | H15 | 120.0° | 120.0° |
| C7 | C8 | H14 | H15 | 120.0° | 120.0° |
| C8 | C7 | C9 | H16 | 59.7° | 180.0° |
| C8 | C7 | C9 | H17 | 60.3° | 60.0° |
| C8 | C7 | C9 | H18 | 179.6° | 60.0° |
| C9 | C7 | C8 | H13 | 58.2° | 60.0° |
| C9 | C7 | C8 | H14 | 178.2° | 60.0° |
| C9 | C7 | C8 | H15 | 61.8° | 180.0° |
| C7 | C9 | H16 | H17 | 120.0° | 120.0° |
| C7 | C9 | H16 | H18 | 120.0° | 120.1° |
| C7 | C9 | H17 | H18 | 120.0° | 120.1° |
| H12 | C7 | C8 | H13 | 61.6° | 180.0° |
| H12 | C7 | C8 | H14 | 58.4° | 60.0° |
| H12 | C7 | C8 | H15 | 178.4° | 60.0° |
| H12 | C7 | C9 | H16 | 60.1° | 59.9° |
| H12 | C7 | C9 | H17 | 179.8° | 60.1° |
| H12 | C7 | C9 | H18 | 59.8° | 180.0° |
| H13 | C8 | H14 | H15 | 120.0° | 120.0° |
| H16 | C9 | H17 | H18 | 120.0° | 119.9° |
| O2 | C10 | N3 | C11 | 173.8° | 167.5° |
| O2 | C10 | N3 | C12 | 3.4° | 13.3° |
| C11 | N3 | C12 | C10 | 170.7° | 179.3° |
| N3 | C11 | H19 | H20 | 120.0° | 120.0° |
| N3 | C11 | H19 | H21 | 120.0° | 119.9° |
| N3 | C11 | H20 | H21 | 120.0° | 120.0° |
| C11 | N3 | C12 | C13 | 57.6° | 112.7° |
| C11 | N3 | C12 | C17 | 65.6° | 5.4° |
| C11 | N3 | C12 | H22 | 175.0° | 128.1° |
| C12 | N3 | C11 | H19 | 180.0° | 179.2° |
| C12 | N3 | C11 | H20 | 60.0° | 60.8° |
| C12 | N3 | C11 | H21 | 60.0° | 59.3° |
| N3 | C12 | C13 | C17 | 124.3° | 118.4° |
| N3 | C12 | C13 | H22 | 118.0° | 119.8° |
| N3 | C12 | C17 | H22 | 119.8° | 121.6° |
| N3 | C12 | C13 | C14 | 66.1° | 67.4° |
| N3 | C12 | C13 | H23 | 54.8° | 52.6° |
| N3 | C12 | C13 | H24 | 173.0° | 172.6° |
| N3 | C12 | C17 | O3 | 5.3° | 78.9° |
| N3 | C12 | C17 | N4 | 171.6° | 102.4° |
| H19 | C11 | H20 | H21 | 120.0° | 120.1° |
| H19 | C11 | N3 | C10 | 10.1° | 0.0° |
| H20 | C11 | N3 | C10 | 110.0° | 120.0° |
| H21 | C11 | N3 | C10 | 130.1° | 120.0° |
| C13 | C12 | C17 | H22 | 117.5° | 119.9° |
| C12 | C13 | C14 | H23 | 120.9° | 120.0° |
| C12 | C13 | C14 | H24 | 120.9° | 120.0° |
| C12 | C13 | H23 | H24 | 117.3° | 120.0° |
| C12 | C13 | C14 | C15 | 178.5° | 90.7° |
| C12 | C13 | C14 | C16 | 57.3° | 149.3° |
| C12 | C13 | C14 | H25 | 62.6° | 29.3° |
| C13 | C12 | C17 | O3 | 117.5° | 39.6° |
| C13 | C12 | N3 | C10 | 131.7° | 66.6° |
| C13 | C12 | C17 | N4 | 65.6° | 139.0° |
| C17 | C12 | C13 | C14 | 169.6° | 174.2° |
| C17 | C12 | C13 | H23 | 69.5° | 65.9° |
| C17 | C12 | C13 | H24 | 48.7° | 54.2° |
| C12 | C17 | O3 | N4 | 176.9° | 178.7° |
| C12 | C17 | N4 | C18 | 15.4° | 3.7° |
| C12 | C17 | N4 | C19 | 172.8° | 176.0° |
| C17 | C12 | N3 | C10 | 105.2° | 175.3° |
| H22 | C12 | C13 | C14 | 51.9° | 52.4° |
| H22 | C12 | C13 | H23 | 172.8° | 172.4° |
| H22 | C12 | C13 | H24 | 69.0° | 67.6° |
| H22 | C12 | C17 | O3 | 125.0° | 159.5° |
| H22 | C12 | N3 | C10 | 14.2° | 52.6° |
| H22 | C12 | C17 | N4 | 51.9° | 19.1° |
| C14 | C13 | H23 | H24 | 117.3° | 120.0° |
| C13 | C14 | C15 | C16 | 121.4° | 120.0° |
| C13 | C14 | C15 | H25 | 118.8° | 120.0° |
| C13 | C14 | C16 | H25 | 119.9° | 120.0° |
| C13 | C14 | C15 | H26 | 180.0° | 178.8° |
| C13 | C14 | C15 | H27 | 60.0° | 58.7° |
| C13 | C14 | C15 | H28 | 60.0° | 61.2° |
| C13 | C14 | C16 | H29 | 180.0° | 68.7° |
| C13 | C14 | C16 | H30 | 60.0° | 171.3° |
| C13 | C14 | C16 | H31 | 60.0° | 51.3° |
| H23 | C13 | C14 | C15 | 60.6° | 29.3° |
| H23 | C13 | C14 | C16 | 178.2° | 90.7° |
| H23 | C13 | C14 | H25 | 58.2° | 149.3° |
| H24 | C13 | C14 | C15 | 57.6° | 149.4° |
| H24 | C13 | C14 | C16 | 63.6° | 29.4° |
| H24 | C13 | C14 | H25 | 176.5° | 90.6° |
| C15 | C14 | C16 | H25 | 119.9° | 120.0° |
| C14 | C15 | H26 | H27 | 120.0° | 120.0° |
| C14 | C15 | H26 | H28 | 120.0° | 120.0° |
| C14 | C15 | H27 | H28 | 120.0° | 119.9° |
| C15 | C14 | C16 | H29 | 59.8° | 171.3° |
| C15 | C14 | C16 | H30 | 60.2° | 51.3° |
| C15 | C14 | C16 | H31 | 179.8° | 68.7° |
| C16 | C14 | C15 | H26 | 58.6° | 61.2° |
| C16 | C14 | C15 | H27 | 178.6° | 178.7° |
| C16 | C14 | C15 | H28 | 61.4° | 58.8° |
| C14 | C16 | H29 | H30 | 120.0° | 120.0° |
| C14 | C16 | H29 | H31 | 120.0° | 120.0° |
| C14 | C16 | H30 | H31 | 120.0° | 120.0° |
| H25 | C14 | C15 | H26 | 61.2° | 58.8° |
| H25 | C14 | C15 | H27 | 58.8° | 61.3° |
| H25 | C14 | C15 | H28 | 178.7° | 178.8° |
| H25 | C14 | C16 | H29 | 60.0° | 51.3° |
| H25 | C14 | C16 | H30 | 180.0° | 68.7° |
| H25 | C14 | C16 | H31 | 59.9° | 171.3° |
| H26 | C15 | H27 | H28 | 120.0° | 120.0° |
| H29 | C16 | H30 | H31 | 120.0° | 120.0° |
| O3 | C17 | N4 | C18 | 161.4° | 175.0° |
| O3 | C17 | N4 | C19 | 10.4° | 5.3° |
| C18 | N4 | C19 | C17 | 172.4° | 179.7° |
| N4 | C18 | H32 | H33 | 120.0° | 120.0° |
| N4 | C18 | H32 | H34 | 120.0° | 120.0° |
| N4 | C18 | H33 | H34 | 120.0° | 120.0° |
| C18 | N4 | C19 | C20 | 59.0° | 3.4° |
| C18 | N4 | C19 | C23 | 63.6° | 115.3° |
| C18 | N4 | C19 | H35 | 178.3° | 121.8° |
| C19 | N4 | C18 | H32 | 180.0° | 176.6° |
| C19 | N4 | C18 | H33 | 60.0° | 56.6° |
| C19 | N4 | C18 | H34 | 60.0° | 63.3° |
| N4 | C19 | C20 | C23 | 120.1° | 118.7° |
| N4 | C19 | C20 | H35 | 120.1° | 118.5° |
| N4 | C19 | C23 | H35 | 118.6° | 121.1° |
| N4 | C19 | C20 | C21 | 170.4° | 75.5° |
| N4 | C19 | C20 | C22 | 53.1° | 164.6° |
| N4 | C19 | C20 | H36 | 69.0° | 44.6° |
| N4 | C19 | C23 | O4 | 95.3° | 66.7° |
| N4 | C19 | C23 | N5 | 78.7° | 113.7° |
| H32 | C18 | H33 | H34 | 120.0° | 120.1° |
| H32 | C18 | N4 | C17 | 8.3° | 3.7° |
| H33 | C18 | N4 | C17 | 128.4° | 123.7° |
| H34 | C18 | N4 | C17 | 111.7° | 116.4° |
| C20 | C19 | C23 | H35 | 119.4° | 120.7° |
| C19 | C20 | C21 | C22 | 120.3° | 119.9° |
| C19 | C20 | C21 | H36 | 120.2° | 120.0° |
| C19 | C20 | C22 | H36 | 121.9° | 120.0° |
| C19 | C20 | C21 | H37 | 180.0° | 66.4° |
| C19 | C20 | C21 | H38 | 60.0° | 173.6° |
| C19 | C20 | C21 | H39 | 60.0° | 53.7° |
| C19 | C20 | C22 | H40 | 180.0° | 65.1° |
| C19 | C20 | C22 | H41 | 60.0° | 175.0° |
| C19 | C20 | C22 | H42 | 60.0° | 55.0° |
| C20 | C19 | C23 | O4 | 26.7° | 51.6° |
| C20 | C19 | N4 | C17 | 113.3° | 176.3° |
| C20 | C19 | C23 | N5 | 159.3° | 128.0° |
| C23 | C19 | C20 | C21 | 69.5° | 43.3° |
| C23 | C19 | C20 | C22 | 173.2° | 76.7° |
| C23 | C19 | C20 | H36 | 51.1° | 163.3° |
| C19 | C23 | O4 | N5 | 173.6° | 179.6° |
| C19 | C23 | N5 | C24 | 19.2° | 8.1° |
| C19 | C23 | N5 | C25 | 179.8° | 170.6° |
| C23 | C19 | N4 | C17 | 124.0° | 65.0° |
| H35 | C19 | C20 | C21 | 50.2° | 166.0° |
| H35 | C19 | C20 | C22 | 67.1° | 46.0° |
| H35 | C19 | C20 | H36 | 170.9° | 74.0° |
| H35 | C19 | C23 | O4 | 146.1° | 172.3° |
| H35 | C19 | N4 | C17 | 5.9° | 58.0° |
| H35 | C19 | C23 | N5 | 40.0° | 7.4° |
| C21 | C20 | C22 | H36 | 119.9° | 120.1° |
| C20 | C21 | H37 | H38 | 120.0° | 120.0° |
| C20 | C21 | H37 | H39 | 120.0° | 120.0° |
| C20 | C21 | H38 | H39 | 120.0° | 120.0° |
| C21 | C20 | C22 | H40 | 61.8° | 175.0° |
| C21 | C20 | C22 | H41 | 58.2° | 55.1° |
| C21 | C20 | C22 | H42 | 178.2° | 65.0° |
| C22 | C20 | C21 | H37 | 59.7° | 53.5° |
| C22 | C20 | C21 | H38 | 179.8° | 66.5° |
| C22 | C20 | C21 | H39 | 60.3° | 173.6° |
| C20 | C22 | H40 | H41 | 120.0° | 119.9° |
| C20 | C22 | H40 | H42 | 120.0° | 120.1° |
| C20 | C22 | H41 | H42 | 120.0° | 120.0° |
| H36 | C20 | C21 | H37 | 59.9° | 173.6° |
| H36 | C20 | C21 | H38 | 60.2° | 53.6° |
| H36 | C20 | C21 | H39 | 179.8° | 66.3° |
| H36 | C20 | C22 | H40 | 58.1° | 54.9° |
| H36 | C20 | C22 | H41 | 178.1° | 65.0° |
| H36 | C20 | C22 | H42 | 61.9° | 175.0° |
| H37 | C21 | H38 | H39 | 120.0° | 120.0° |
| H40 | C22 | H41 | H42 | 120.0° | 120.0° |
| O4 | C23 | N5 | C24 | 167.1° | 171.5° |
| O4 | C23 | N5 | C25 | 6.1° | 9.8° |
| C24 | N5 | C25 | C23 | 162.1° | 178.7° |
| N5 | C24 | H43 | H44 | 120.0° | 120.0° |
| N5 | C24 | H43 | H45 | 120.0° | 120.0° |
| N5 | C24 | H44 | H45 | 120.0° | 120.0° |
| C24 | N5 | C25 | C26 | 59.5° | 26.0° |
| C24 | N5 | C25 | C27 | 65.1° | 95.3° |
| C24 | N5 | C25 | H46 | 177.8° | 146.1° |
| C25 | N5 | C24 | H43 | 180.0° | 178.6° |
| C25 | N5 | C24 | H44 | 60.0° | 61.4° |
| C25 | N5 | C24 | H45 | 60.0° | 58.6° |
| N5 | C25 | C26 | C27 | 127.5° | 120.0° |
| N5 | C25 | C26 | H46 | 118.6° | 120.1° |
| N5 | C25 | C27 | H46 | 117.9° | 118.7° |
| N5 | C25 | C26 | O5 | 1.9° | 43.5° |
| N5 | C25 | C27 | O6 | 69.1° | 45.6° |
| N5 | C25 | C27 | C28 | 50.6° | 74.4° |
| N5 | C25 | C27 | H47 | 170.4° | 165.6° |
| N5 | C25 | C26 | N6 | 173.2° | 138.9° |
| H43 | C24 | H44 | H45 | 119.9° | 120.0° |
| H43 | C24 | N5 | C23 | 19.7° | 0.0° |
| H44 | C24 | N5 | C23 | 100.3° | 120.0° |
| H45 | C24 | N5 | C23 | 139.7° | 120.0° |
| C26 | C25 | C27 | H46 | 114.4° | 120.1° |
| C25 | C26 | O5 | N6 | 174.8° | 177.6° |
| C26 | C25 | C27 | O6 | 58.6° | 75.6° |
| C26 | C25 | C27 | C28 | 178.3° | 164.4° |
| C26 | C25 | C27 | H47 | 61.9° | 44.4° |
| C25 | C26 | N6 | C34 | 175.8° | 168.5° |
| C25 | C26 | N6 | H60 | 4.2° | 13.9° |
| C26 | C25 | N5 | C23 | 102.7° | 155.2° |
| C27 | C25 | C26 | O5 | 125.6° | 163.4° |
| C25 | C27 | O6 | C28 | 122.1° | 119.9° |
| C25 | C27 | O6 | H47 | 119.1° | 120.0° |
| C25 | C27 | C28 | H47 | 119.6° | 120.0° |
| C25 | C27 | O6 | H48 | 170.3° | 60.0° |
| C25 | C27 | C28 | C29 | 55.1° | 44.8° |
| C25 | C27 | C28 | C30 | 179.2° | 164.7° |
| C25 | C27 | C28 | H49 | 63.1° | 75.2° |
| C27 | C25 | N5 | C23 | 132.8° | 83.4° |
| C27 | C25 | C26 | N6 | 59.3° | 19.0° |
| H46 | C25 | C26 | O5 | 120.5° | 76.6° |
| H46 | C25 | C27 | O6 | 173.0° | 164.2° |
| H46 | C25 | C27 | C28 | 67.3° | 44.3° |
| H46 | C25 | C27 | H47 | 52.5° | 75.7° |
| H46 | C25 | N5 | C23 | 15.7° | 35.2° |
| H46 | C25 | C26 | N6 | 54.6° | 101.0° |
| O5 | C26 | N6 | C34 | 0.6° | 13.9° |
| O5 | C26 | N6 | H60 | 179.4° | 163.7° |
| O6 | C27 | C28 | H47 | 120.0° | 120.0° |
| O6 | C27 | C28 | C29 | 175.6° | 164.7° |
| O6 | C27 | C28 | C30 | 60.4° | 75.3° |
| O6 | C27 | C28 | H49 | 57.3° | 44.7° |
| C28 | C27 | O6 | H48 | 67.6° | 59.9° |
| C27 | C28 | C29 | C30 | 122.4° | 120.0° |
| C27 | C28 | C29 | H49 | 118.1° | 120.0° |
| C27 | C28 | C30 | H49 | 117.6° | 120.0° |
| C27 | C28 | C29 | H50 | 180.0° | 54.1° |
| C27 | C28 | C29 | H51 | 60.0° | 174.1° |
| C27 | C28 | C29 | H52 | 60.0° | 65.8° |
| C27 | C28 | C30 | C31 | 61.5° | 179.2° |
| C27 | C28 | C30 | H53 | 177.6° | 60.8° |
| C27 | C28 | C30 | H54 | 59.5° | 59.2° |
| H47 | C27 | O6 | H48 | 51.2° | 179.9° |
| H47 | C27 | C28 | C29 | 64.5° | 75.2° |
| H47 | C27 | C28 | C30 | 59.6° | 44.7° |
| H47 | C27 | C28 | H49 | 177.3° | 164.7° |
| C29 | C28 | C30 | H49 | 119.6° | 120.0° |
| C28 | C29 | H50 | H51 | 120.0° | 120.0° |
| C28 | C29 | H50 | H52 | 120.0° | 120.0° |
| C28 | C29 | H51 | H52 | 120.0° | 120.1° |
| C29 | C28 | C30 | C31 | 61.4° | 59.3° |
| C29 | C28 | C30 | H53 | 59.6° | 179.2° |
| C29 | C28 | C30 | H54 | 177.6° | 60.8° |
| C30 | C28 | C29 | H50 | 57.5° | 174.1° |
| C30 | C28 | C29 | H51 | 62.4° | 65.9° |
| C30 | C28 | C29 | H52 | 177.6° | 54.1° |
| C28 | C30 | C31 | H53 | 121.0° | 119.9° |
| C28 | C30 | C31 | H54 | 121.0° | 120.1° |
| C28 | C30 | H53 | H54 | 116.9° | 120.0° |
| C28 | C30 | C31 | C32 | 133.2° | 124.3° |
| C28 | C30 | C31 | H55 | 46.7° | 55.8° |
| H49 | C28 | C29 | H50 | 62.0° | 65.9° |
| H49 | C28 | C29 | H51 | 178.1° | 54.1° |
| H49 | C28 | C29 | H52 | 58.1° | 174.1° |
| H49 | C28 | C30 | C31 | 179.0° | 60.8° |
| H49 | C28 | C30 | H53 | 60.0° | 59.2° |
| H49 | C28 | C30 | H54 | 58.0° | 179.2° |
| H50 | C29 | H51 | H52 | 120.0° | 120.0° |
| C31 | C30 | H53 | H54 | 116.9° | 120.0° |
| C30 | C31 | C32 | H55 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 180.0° | 176.5° |
| C30 | C31 | C32 | H56 | 0.1° | 3.5° |
| H53 | C30 | C31 | C32 | 105.8° | 4.3° |
| H53 | C30 | C31 | H55 | 74.2° | 175.7° |
| H54 | C30 | C31 | C32 | 12.2° | 115.7° |
| H54 | C30 | C31 | H55 | 167.8° | 64.3° |
| C31 | C32 | C33 | H56 | 180.0° | 180.0° |
| C31 | C32 | C33 | H57 | 180.0° | 54.8° |
| C31 | C32 | C33 | H58 | 60.0° | 174.9° |
| C31 | C32 | C33 | H59 | 60.0° | 65.1° |
| H55 | C31 | C32 | C33 | 0.1° | 3.5° |
| H55 | C31 | C32 | H56 | 179.9° | 176.6° |
| C32 | C33 | H57 | H58 | 120.0° | 120.0° |
| C32 | C33 | H57 | H59 | 120.0° | 120.0° |
| C32 | C33 | H58 | H59 | 120.0° | 120.0° |
| H56 | C32 | C33 | H57 | 0.0° | 125.2° |
| H56 | C32 | C33 | H58 | 120.0° | 5.2° |
| H56 | C32 | C33 | H59 | 120.0° | 114.9° |
| H57 | C33 | H58 | H59 | 120.0° | 120.0° |
| C34 | N6 | H60 | C26 | 180.0° | 177.6° |
| N6 | C34 | C35 | C36 | 119.6° | 118.2° |
| N6 | C34 | C35 | H61 | 120.9° | 120.0° |
| N6 | C34 | C36 | H61 | 119.0° | 119.9° |
| N6 | C34 | C35 | O7 | 93.2° | 20.2° |
| N6 | C34 | C36 | C37 | 60.5° | 65.0° |
| N6 | C34 | C36 | H62 | 59.9° | 54.9° |
| N6 | C34 | C36 | H63 | 179.0° | 175.0° |
| N6 | C34 | C35 | N7 | 85.1° | 159.7° |
| H60 | N6 | C34 | C35 | 60.6° | 33.3° |
| H60 | N6 | C34 | C36 | 60.7° | 85.4° |
| H60 | N6 | C34 | H61 | 179.0° | 154.3° |
| C35 | C34 | C36 | H61 | 119.5° | 122.3° |
| C34 | C35 | O7 | N7 | 178.3° | 180.0° |
| C35 | C34 | C36 | C37 | 177.9° | 177.1° |
| C35 | C34 | C36 | H62 | 61.6° | 62.9° |
| C35 | C34 | C36 | H63 | 57.5° | 57.1° |
| C34 | C35 | N7 | C38 | 179.4° | 177.1° |
| C34 | C35 | N7 | C40 | 1.5° | 2.5° |
| C35 | C34 | N6 | C26 | 119.4° | 148.9° |
| C36 | C34 | C35 | O7 | 26.4° | 97.9° |
| C34 | C36 | C37 | H62 | 120.5° | 120.0° |
| C34 | C36 | C37 | H63 | 120.5° | 120.0° |
| C34 | C36 | H62 | H63 | 118.6° | 120.0° |
| C34 | C36 | C37 | H64 | 180.0° | 60.0° |
| C34 | C36 | C37 | H65 | 60.0° | 60.0° |
| C34 | C36 | C37 | H66 | 60.0° | 179.9° |
| C36 | C34 | N6 | C26 | 119.3° | 92.4° |
| C36 | C34 | C35 | N7 | 155.4° | 82.1° |
| H61 | C34 | C35 | O7 | 145.9° | 140.2° |
| H61 | C34 | C36 | C37 | 58.4° | 54.8° |
| H61 | C34 | C36 | H62 | 178.9° | 174.8° |
| H61 | C34 | C36 | H63 | 62.0° | 65.2° |
| H61 | C34 | N6 | C26 | 1.0° | 28.0° |
| H61 | C34 | C35 | N7 | 35.8° | 39.7° |
| O7 | C35 | N7 | C38 | 1.2° | 2.9° |
| O7 | C35 | N7 | C40 | 179.7° | 177.5° |
| C37 | C36 | H62 | H63 | 118.5° | 120.0° |
| C36 | C37 | H64 | H65 | 120.0° | 120.0° |
| C36 | C37 | H64 | H66 | 120.0° | 120.0° |
| C36 | C37 | H65 | H66 | 120.0° | 120.0° |
| H62 | C36 | C37 | H64 | 59.5° | 180.0° |
| H62 | C36 | C37 | H65 | 179.6° | 60.0° |
| H62 | C36 | C37 | H66 | 60.5° | 60.1° |
| H63 | C36 | C37 | H64 | 59.5° | 60.0° |
| H63 | C36 | C37 | H65 | 60.5° | 180.0° |
| H63 | C36 | C37 | H66 | 179.5° | 59.9° |
| H64 | C37 | H65 | H66 | 119.9° | 120.0° |
| C38 | N7 | C40 | C35 | 179.2° | 179.6° |
| N7 | C38 | C39 | H67 | 120.3° | 119.3° |
| N7 | C38 | C39 | H68 | 120.4° | 120.5° |
| N7 | C38 | H67 | H68 | 119.0° | 119.1° |
| N7 | C38 | C39 | O8 | 115.5° | 4.4° |
| C38 | N7 | C40 | H69 | 180.0° | 179.6° |
| C38 | N7 | C40 | H70 | 60.0° | 59.5° |
| C38 | N7 | C40 | H71 | 60.0° | 60.4° |
| N7 | C38 | C39 | N8 | 65.4° | 176.3° |
| C40 | N7 | C38 | C39 | 48.2° | 70.4° |
| C40 | N7 | C38 | H67 | 72.1° | 49.6° |
| C40 | N7 | C38 | H68 | 168.6° | 168.6° |
| N7 | C40 | H69 | H70 | 120.0° | 120.0° |
| N7 | C40 | H69 | H71 | 120.0° | 120.0° |
| N7 | C40 | H70 | H71 | 120.0° | 119.9° |
| C39 | C38 | H67 | H68 | 118.9° | 120.7° |
| C38 | C39 | O8 | N8 | 179.1° | 179.4° |
| C38 | C39 | N8 | C41 | 173.3° | 170.9° |
| C38 | C39 | N8 | C47 | 12.8° | 9.0° |
| C39 | C38 | N7 | C35 | 132.6° | 109.9° |
| H67 | C38 | C39 | O8 | 4.8° | 123.7° |
| H67 | C38 | N7 | C35 | 107.1° | 130.1° |
| H67 | C38 | C39 | N8 | 174.3° | 57.0° |
| H68 | C38 | C39 | O8 | 124.1° | 116.1° |
| H68 | C38 | N7 | C35 | 12.2° | 11.0° |
| H68 | C38 | C39 | N8 | 55.0° | 63.2° |
| O8 | C39 | N8 | C41 | 7.6° | 9.7° |
| O8 | C39 | N8 | C47 | 166.2° | 170.4° |
| H69 | C40 | H70 | H71 | 120.0° | 120.0° |
| H69 | C40 | N7 | C35 | 0.9° | 0.1° |
| H70 | C40 | N7 | C35 | 119.2° | 120.1° |
| H71 | C40 | N7 | C35 | 120.9° | 120.0° |
| C41 | N8 | C47 | C39 | 173.9° | 179.9° |
| N8 | C41 | C42 | C46 | 118.1° | 121.4° |
| N8 | C41 | C42 | H72 | 122.7° | 119.5° |
| N8 | C41 | C46 | H72 | 119.5° | 120.3° |
| N8 | C41 | C42 | C43 | 103.6° | 62.8° |
| N8 | C41 | C42 | H73 | 17.7° | 57.2° |
| N8 | C41 | C42 | H74 | 135.1° | 177.3° |
| N8 | C41 | C46 | O9 | 77.5° | 82.2° |
| C41 | N8 | C47 | H81 | 180.0° | 180.0° |
| C41 | N8 | C47 | H82 | 60.0° | 60.1° |
| C41 | N8 | C47 | H83 | 60.0° | 59.9° |
| N8 | C41 | C46 | N9 | 101.1° | 99.0° |
| C47 | N8 | C41 | C42 | 44.6° | 79.7° |
| C47 | N8 | C41 | C46 | 74.3° | 40.9° |
| C47 | N8 | C41 | H72 | 166.7° | 161.0° |
| N8 | C47 | H81 | H82 | 120.0° | 119.9° |
| N8 | C47 | H81 | H83 | 120.0° | 120.0° |
| N8 | C47 | H82 | H83 | 120.0° | 120.0° |
| C42 | C41 | C46 | H72 | 119.1° | 119.1° |
| C41 | C42 | C43 | H73 | 121.3° | 120.0° |
| C41 | C42 | C43 | H74 | 121.4° | 120.0° |
| C41 | C42 | H73 | H74 | 115.8° | 120.1° |
| C41 | C42 | C43 | C44 | 67.1° | 174.6° |
| C41 | C42 | C43 | C45 | 173.7° | 54.6° |
| C41 | C42 | C43 | O10 | 53.2° | 65.4° |
| C42 | C41 | C46 | O9 | 44.0° | 38.4° |
| C42 | C41 | N8 | C39 | 129.5° | 100.2° |
| C42 | C41 | C46 | N9 | 137.4° | 140.4° |
| C46 | C41 | C42 | C43 | 138.3° | 175.8° |
| C46 | C41 | C42 | H73 | 100.3° | 64.2° |
| C46 | C41 | C42 | H74 | 17.0° | 55.9° |
| C41 | C46 | O9 | N9 | 178.5° | 178.8° |
| C41 | C46 | N9 | C48 | 177.3° | 178.6° |
| C41 | C46 | N9 | H85 | 2.6° | 1.7° |
| C46 | C41 | N8 | C39 | 111.7° | 139.2° |
| H72 | C41 | C42 | C43 | 19.1° | 56.7° |
| H72 | C41 | C42 | H73 | 140.4° | 176.8° |
| H72 | C41 | C42 | H74 | 102.2° | 63.2° |
| H72 | C41 | C46 | O9 | 163.1° | 157.4° |
| H72 | C41 | N8 | C39 | 7.3° | 19.1° |
| H72 | C41 | C46 | N9 | 18.4° | 21.4° |
| C43 | C42 | H73 | H74 | 115.8° | 119.9° |
| C42 | C43 | C44 | C45 | 119.9° | 120.1° |
| C42 | C43 | C44 | O10 | 120.4° | 120.0° |
| C42 | C43 | C45 | O10 | 120.9° | 120.0° |
| C42 | C43 | C44 | H75 | 180.0° | 60.0° |
| C42 | C43 | C44 | H76 | 60.0° | 180.0° |
| C42 | C43 | C44 | H77 | 60.0° | 59.9° |
| C42 | C43 | C45 | H78 | 180.0° | 54.1° |
| C42 | C43 | C45 | H79 | 60.0° | 174.2° |
| C42 | C43 | C45 | H80 | 60.0° | 65.8° |
| C42 | C43 | O10 | H84 | 180.0° | 180.0° |
| H73 | C42 | C43 | C44 | 54.3° | 65.3° |
| H73 | C42 | C43 | C45 | 65.0° | 174.6° |
| H73 | C42 | C43 | O10 | 174.6° | 54.7° |
| H74 | C42 | C43 | C44 | 171.6° | 54.7° |
| H74 | C42 | C43 | C45 | 52.3° | 65.4° |
| H74 | C42 | C43 | O10 | 68.1° | 174.6° |
| C44 | C43 | C45 | O10 | 119.9° | 120.0° |
| C43 | C44 | H75 | H76 | 120.0° | 120.0° |
| C43 | C44 | H75 | H77 | 120.0° | 120.0° |
| C43 | C44 | H76 | H77 | 120.0° | 120.1° |
| C44 | C43 | C45 | H78 | 60.8° | 174.2° |
| C44 | C43 | C45 | H79 | 59.2° | 65.7° |
| C44 | C43 | C45 | H80 | 179.2° | 54.2° |
| C44 | C43 | O10 | H84 | 60.2° | 60.0° |
| C45 | C43 | C44 | H75 | 60.1° | 60.0° |
| C45 | C43 | C44 | H76 | 179.9° | 59.9° |
| C45 | C43 | C44 | H77 | 59.9° | 180.0° |
| C43 | C45 | H78 | H79 | 120.0° | 120.1° |
| C43 | C45 | H78 | H80 | 120.0° | 120.0° |
| C43 | C45 | H79 | H80 | 120.0° | 120.0° |
| C45 | C43 | O10 | H84 | 59.1° | 60.0° |
| O10 | C43 | C44 | H75 | 59.5° | 180.0° |
| O10 | C43 | C44 | H76 | 60.4° | 60.1° |
| O10 | C43 | C44 | H77 | 179.6° | 60.0° |
| O10 | C43 | C45 | H78 | 59.1° | 65.8° |
| O10 | C43 | C45 | H79 | 179.1° | 54.2° |
| O10 | C43 | C45 | H80 | 60.9° | 174.2° |
| H75 | C44 | H76 | H77 | 120.0° | 119.9° |
| H78 | C45 | H79 | H80 | 120.0° | 120.0° |
| O9 | C46 | N9 | C48 | 1.2° | 0.2° |
| O9 | C46 | N9 | H85 | 178.8° | 179.5° |
| H81 | C47 | H82 | H83 | 120.0° | 120.1° |
| H81 | C47 | N8 | C39 | 6.1° | 0.1° |
| H82 | C47 | N8 | C39 | 126.1° | 120.0° |
| H83 | C47 | N8 | C39 | 113.9° | 120.0° |
| C48 | N9 | H85 | C46 | 180.0° | 179.7° |
| N9 | C48 | C49 | C50 | 120.4° | 124.1° |
| N9 | C48 | C49 | H86 | 119.4° | 118.3° |
| N9 | C48 | C50 | H86 | 118.6° | 117.9° |
| N9 | C48 | C49 | O11 | 47.9° | 110.7° |
| N9 | C48 | C50 | C51 | 176.5° | 175.0° |
| N9 | C48 | C50 | C52 | 64.8° | 55.0° |
| N9 | C48 | C50 | H87 | 55.2° | 64.9° |
| N9 | C48 | C49 | N10 | 128.6° | 68.5° |
| H85 | N9 | C48 | C49 | 102.9° | 56.1° |
| H85 | N9 | C48 | C50 | 20.3° | 68.4° |
| H85 | N9 | C48 | H86 | 138.2° | 174.1° |
| C49 | C48 | C50 | H86 | 120.2° | 117.7° |
| C48 | C49 | O11 | N10 | 176.4° | 179.3° |
| C49 | C48 | C50 | C51 | 55.3° | 60.6° |
| C49 | C48 | C50 | C52 | 174.0° | 179.4° |
| C49 | C48 | C50 | H87 | 66.0° | 59.4° |
| C48 | C49 | N10 | C53 | 10.5° | 15.0° |
| C48 | C49 | N10 | C54 | 178.0° | 164.2° |
| C49 | C48 | N9 | C46 | 77.1° | 124.2° |
| C50 | C48 | C49 | O11 | 72.5° | 125.2° |
| C48 | C50 | C51 | C52 | 119.1° | 120.0° |
| C48 | C50 | C51 | H87 | 121.2° | 120.1° |
| C48 | C50 | C52 | H87 | 119.9° | 120.0° |
| C48 | C50 | C51 | H88 | 180.0° | 60.0° |
| C48 | C50 | C51 | H89 | 60.0° | 180.0° |
| C48 | C50 | C51 | H90 | 60.0° | 60.1° |
| C48 | C50 | C52 | H91 | 180.0° | 55.0° |
| C48 | C50 | C52 | H92 | 60.0° | 175.0° |
| C48 | C50 | C52 | H93 | 60.0° | 65.0° |
| C50 | C48 | N9 | C46 | 159.7° | 111.3° |
| C50 | C48 | C49 | N10 | 111.0° | 55.6° |
| H86 | C48 | C49 | O11 | 167.3° | 7.7° |
| H86 | C48 | C50 | C51 | 64.9° | 57.1° |
| H86 | C48 | C50 | C52 | 53.8° | 62.9° |
| H86 | C48 | C50 | H87 | 173.8° | 177.1° |
| H86 | C48 | N9 | C46 | 41.7° | 6.1° |
| H86 | C48 | C49 | N10 | 9.2° | 173.1° |
| O11 | C49 | N10 | C53 | 173.2° | 164.2° |
| O11 | C49 | N10 | C54 | 1.6° | 16.5° |
| C51 | C50 | C52 | H87 | 119.8° | 120.0° |
| C50 | C51 | H88 | H89 | 120.0° | 120.1° |
| C50 | C51 | H88 | H90 | 120.0° | 120.0° |
| C50 | C51 | H89 | H90 | 120.0° | 119.9° |
| C51 | C50 | C52 | H91 | 59.6° | 175.0° |
| C51 | C50 | C52 | H92 | 60.3° | 65.0° |
| C51 | C50 | C52 | H93 | 179.7° | 55.0° |
| C52 | C50 | C51 | H88 | 60.9° | 60.0° |
| C52 | C50 | C51 | H89 | 179.1° | 60.1° |
| C52 | C50 | C51 | H90 | 59.1° | 180.0° |
| C50 | C52 | H91 | H92 | 120.0° | 120.0° |
| C50 | C52 | H91 | H93 | 120.0° | 120.0° |
| C50 | C52 | H92 | H93 | 120.0° | 120.0° |
| H87 | C50 | C51 | H88 | 58.8° | 180.0° |
| H87 | C50 | C51 | H89 | 61.2° | 59.9° |
| H87 | C50 | C51 | H90 | 178.8° | 60.0° |
| H87 | C50 | C52 | H91 | 60.1° | 65.0° |
| H87 | C50 | C52 | H92 | 179.9° | 55.0° |
| H87 | C50 | C52 | H93 | 59.9° | 175.0° |
| H88 | C51 | H89 | H90 | 120.0° | 120.0° |
| H91 | C52 | H92 | H93 | 120.0° | 120.0° |
| C53 | N10 | C54 | C49 | 172.1° | 179.3° |
| N10 | C53 | H94 | H95 | 120.0° | 120.0° |
| N10 | C53 | H94 | H96 | 120.0° | 120.0° |
| N10 | C53 | H95 | H96 | 120.0° | 120.1° |
| C53 | N10 | C54 | C55 | 50.3° | 97.5° |
| C53 | N10 | C54 | C59 | 72.6° | 24.5° |
| C53 | N10 | C54 | H97 | 169.2° | 143.8° |
| C54 | N10 | C53 | H94 | 180.0° | 174.2° |
| C54 | N10 | C53 | H95 | 60.0° | 65.8° |
| C54 | N10 | C53 | H96 | 60.0° | 54.3° |
| N10 | C54 | C55 | C59 | 122.2° | 122.2° |
| N10 | C54 | C55 | H97 | 119.7° | 118.6° |
| N10 | C54 | C59 | H97 | 118.7° | 119.1° |
| N10 | C54 | C55 | C56 | 52.3° | 170.8° |
| N10 | C54 | C55 | H98 | 69.1° | 50.8° |
| N10 | C54 | C55 | H99 | 173.7° | 69.2° |
| N10 | C54 | C59 | O12 | 0.0° | 91.1° |
| N10 | C54 | C59 | N11 | 171.3° | 89.0° |
| H94 | C53 | H95 | H96 | 120.0° | 120.0° |
| H94 | C53 | N10 | C49 | 8.7° | 5.0° |
| H95 | C53 | N10 | C49 | 111.3° | 115.0° |
| H96 | C53 | N10 | C49 | 128.7° | 124.9° |
| C55 | C54 | C59 | H97 | 117.8° | 119.3° |
| C54 | C55 | C56 | H98 | 121.4° | 120.1° |
| C54 | C55 | C56 | H99 | 121.4° | 120.0° |
| C54 | C55 | H98 | H99 | 115.5° | 120.0° |
| C54 | C55 | C56 | C57 | 171.8° | 60.5° |
| C54 | C55 | C56 | C58 | 48.8° | 179.6° |
| C54 | C55 | C56 | H100 | 70.6° | 59.5° |
| C55 | C54 | C59 | O12 | 123.5° | 147.4° |
| C55 | C54 | N10 | C49 | 137.6° | 81.8° |
| C55 | C54 | C59 | N11 | 65.2° | 32.5° |
| C59 | C54 | C55 | C56 | 174.5° | 67.0° |
| C59 | C54 | C55 | H98 | 53.1° | 172.9° |
| C59 | C54 | C55 | H99 | 64.1° | 52.9° |
| C54 | C59 | O12 | N11 | 170.8° | 179.9° |
| C54 | C59 | N11 | C60 | 175.9° | 171.3° |
| C54 | C59 | N11 | H107 | 4.1° | 9.9° |
| C59 | C54 | N10 | C49 | 99.5° | 156.2° |
| H97 | C54 | C55 | C56 | 67.4° | 52.3° |
| H97 | C54 | C55 | H98 | 171.2° | 67.8° |
| H97 | C54 | C55 | H99 | 54.0° | 172.2° |
| H97 | C54 | C59 | O12 | 118.7° | 28.1° |
| H97 | C54 | N10 | C49 | 18.7° | 36.9° |
| H97 | C54 | C59 | N11 | 52.6° | 151.8° |
| C56 | C55 | H98 | H99 | 115.6° | 119.9° |
| C55 | C56 | C57 | C58 | 123.1° | 120.0° |
| C55 | C56 | C57 | H100 | 117.3° | 120.0° |
| C55 | C56 | C58 | H100 | 119.2° | 120.0° |
| C55 | C56 | C57 | H101 | 180.0° | 65.0° |
| C55 | C56 | C57 | H102 | 60.0° | 55.0° |
| C55 | C56 | C57 | H103 | 60.0° | 175.0° |
| C55 | C56 | C58 | H104 | 180.0° | 60.0° |
| C55 | C56 | C58 | H105 | 60.0° | 180.0° |
| C55 | C56 | C58 | H106 | 60.0° | 60.0° |
| H98 | C55 | C56 | C57 | 66.9° | 59.6° |
| H98 | C55 | C56 | C58 | 170.2° | 60.4° |
| H98 | C55 | C56 | H100 | 50.8° | 179.6° |
| H99 | C55 | C56 | C57 | 50.4° | 179.5° |
| H99 | C55 | C56 | C58 | 72.6° | 59.6° |
| H99 | C55 | C56 | H100 | 168.1° | 60.5° |
| C57 | C56 | C58 | H100 | 119.6° | 120.0° |
| C56 | C57 | H101 | H102 | 120.0° | 120.0° |
| C56 | C57 | H101 | H103 | 120.0° | 119.9° |
| C56 | C57 | H102 | H103 | 120.0° | 120.0° |
| C57 | C56 | C58 | H104 | 58.8° | 180.0° |
| C57 | C56 | C58 | H105 | 61.2° | 60.0° |
| C57 | C56 | C58 | H106 | 178.8° | 60.0° |
| C58 | C56 | C57 | H101 | 56.8° | 175.0° |
| C58 | C56 | C57 | H102 | 176.9° | 65.0° |
| C58 | C56 | C57 | H103 | 63.2° | 55.0° |
| C56 | C58 | H104 | H105 | 120.0° | 120.0° |
| C56 | C58 | H104 | H106 | 120.0° | 120.0° |
| C56 | C58 | H105 | H106 | 120.0° | 120.1° |
| H100 | C56 | C57 | H101 | 62.7° | 55.0° |
| H100 | C56 | C57 | H102 | 57.4° | 175.0° |
| H100 | C56 | C57 | H103 | 177.3° | 65.0° |
| H100 | C56 | C58 | H104 | 60.9° | 60.0° |
| H100 | C56 | C58 | H105 | 179.1° | 60.0° |
| H100 | C56 | C58 | H106 | 59.2° | 180.0° |
| H101 | C57 | H102 | H103 | 120.0° | 120.0° |
| H104 | C58 | H105 | H106 | 120.0° | 120.0° |
| O12 | C59 | N11 | C60 | 12.5° | 8.6° |
| O12 | C59 | N11 | H107 | 167.5° | 170.2° |
| C60 | N11 | H107 | C59 | 180.0° | 178.8° |
| N11 | C60 | C61 | C62 | 119.1° | 120.2° |
| N11 | C60 | C61 | H108 | 120.9° | 120.2° |
| N11 | C60 | C62 | H108 | 121.7° | 119.9° |
| N11 | C60 | C61 | O13 | 14.3° | 116.9° |
| N11 | C60 | C62 | H109 | 180.0° | 59.9° |
| N11 | C60 | C62 | H110 | 60.0° | 180.0° |
| N11 | C60 | C62 | H111 | 60.0° | 60.0° |
| N11 | C60 | C61 | N1 | 166.3° | 63.1° |
| H107 | N11 | C60 | C61 | 111.9° | 61.3° |
| H107 | N11 | C60 | C62 | 6.7° | 59.0° |
| H107 | N11 | C60 | H108 | 127.8° | 178.6° |
| C61 | C60 | C62 | H108 | 120.0° | 119.7° |
| C60 | C61 | O13 | N1 | 179.4° | 180.0° |
| C61 | C60 | C62 | H109 | 61.7° | 60.4° |
| C61 | C60 | C62 | H110 | 178.3° | 59.6° |
| C61 | C60 | C62 | H111 | 58.3° | 179.7° |
| C61 | C60 | N11 | C59 | 68.1° | 117.6° |
| C62 | C60 | C61 | O13 | 104.9° | 122.9° |
| C60 | C62 | H109 | H110 | 120.0° | 120.1° |
| C60 | C62 | H109 | H111 | 120.0° | 119.9° |
| C60 | C62 | H110 | H111 | 120.0° | 120.0° |
| C62 | C60 | C61 | N1 | 74.6° | 57.1° |
| C62 | C60 | N11 | C59 | 173.3° | 122.1° |
| H108 | C60 | C61 | O13 | 135.2° | 3.4° |
| H108 | C60 | C62 | H109 | 58.2° | 179.9° |
| H108 | C60 | C62 | H110 | 61.8° | 60.1° |
| H108 | C60 | C62 | H111 | 178.2° | 60.0° |
| H108 | C60 | C61 | N1 | 45.4° | 176.7° |
| H108 | C60 | N11 | C59 | 52.2° | 2.5° |
| H109 | C62 | H110 | H111 | 120.0° | 120.0° |
