PRD_002466
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.46Å | 1.48Å | |
| N1 | C4 | sing | 1.46Å | 1.49Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C8 | sing | 1.51Å | 1.53Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | O2 | doub | 1.21Å | 1.22Å | |
| C9 | O3 | doub | 1.21Å | 1.25Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| N2 | C10 | sing | 1.47Å | 1.46Å | |
| N2 | C12 | sing | 1.47Å | 1.47Å | |
| C10 | C11 | sing | 1.54Å | 1.53Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | C14 | sing | 1.55Å | 1.53Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | C14 | sing | 1.55Å | 1.53Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | N3 | sing | 1.47Å | 1.45Å | |
| N3 | C16 | sing | 1.46Å | 1.47Å | |
| O4 | C15 | doub | 1.21Å | 1.26Å | |
| O5 | C17 | sing | 1.46Å | 1.44Å | |
| C16 | C15 | sing | 1.51Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| N4 | C20 | sing | 1.48Å | 1.46Å | |
| N4 | H32 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | O6 | doub | 1.21Å | 1.23Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | O7 | doub | 1.21Å | 1.23Å | |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| N5 | C27 | sing | 1.46Å | 1.47Å | |
| N5 | C29 | sing | 1.46Å | 1.47Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | C31 | sing | 1.54Å | 1.53Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C28 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| N6 | C32 | sing | 1.48Å | 1.45Å | |
| N6 | H52 | sing | 0.97Å | 1.00Å | |
| C32 | C33 | sing | 1.51Å | 1.54Å | |
| C32 | C34 | sing | 1.53Å | 1.52Å | |
| C32 | H53 | sing | 1.09Å | 1.10Å | |
| C33 | O8 | doub | 1.21Å | 1.22Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | H54 | sing | 1.09Å | 1.10Å | |
| C34 | H55 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C35 | C37 | sing | 1.53Å | 1.51Å | |
| C35 | H56 | sing | 1.09Å | 1.10Å | |
| C36 | H57 | sing | 1.09Å | 1.10Å | |
| C36 | H58 | sing | 1.09Å | 1.10Å | |
| C36 | H59 | sing | 1.09Å | 1.10Å | |
| C37 | H60 | sing | 1.09Å | 1.10Å | |
| C37 | H61 | sing | 1.09Å | 1.10Å | |
| C37 | H62 | sing | 1.09Å | 1.10Å | |
| N7 | C38 | sing | 1.46Å | 1.48Å | |
| N7 | C39 | sing | 1.48Å | 1.50Å | |
| C38 | H63 | sing | 1.09Å | 1.10Å | |
| C38 | H64 | sing | 1.09Å | 1.10Å | |
| C38 | H65 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C39 | C43 | sing | 1.51Å | 1.52Å | |
| C39 | H66 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C40 | C42 | sing | 1.53Å | 1.52Å | |
| C40 | H67 | sing | 1.09Å | 1.10Å | |
| C41 | H68 | sing | 1.09Å | 1.10Å | |
| C41 | H69 | sing | 1.09Å | 1.10Å | |
| C41 | H70 | sing | 1.09Å | 1.10Å | |
| C42 | H71 | sing | 1.09Å | 1.10Å | |
| C42 | H72 | sing | 1.09Å | 1.10Å | |
| C42 | H73 | sing | 1.09Å | 1.10Å | |
| C43 | O9 | doub | 1.21Å | 1.21Å | |
| C44 | O10 | doub | 1.21Å | 1.24Å | |
| C44 | C45 | sing | 1.50Å | 1.52Å | |
| C45 | C46 | sing | 1.54Å | 1.55Å | |
| C45 | N8 | sing | 1.47Å | 1.46Å | |
| C46 | C47 | sing | 1.54Å | 1.53Å | |
| C47 | C48 | sing | 1.54Å | 1.53Å | |
| C47 | C49 | sing | 1.53Å | 1.54Å | |
| C48 | N8 | sing | 1.47Å | 1.47Å | |
| C49 | C50 | sing | 1.53Å | 1.52Å | |
| C49 | C54 | sing | 1.53Å | 1.52Å | |
| C50 | C51 | sing | 1.53Å | 1.53Å | |
| C51 | C52 | sing | 1.53Å | 1.51Å | |
| C52 | C53 | sing | 1.53Å | 1.52Å | |
| C53 | C54 | sing | 1.53Å | 1.53Å | |
| C45 | H74 | sing | 1.09Å | 1.10Å | |
| C46 | H75 | sing | 1.09Å | 1.10Å | |
| C46 | H76 | sing | 1.09Å | 1.10Å | |
| C47 | H77 | sing | 1.09Å | 1.10Å | |
| C48 | H78 | sing | 1.09Å | 1.10Å | |
| C48 | H79 | sing | 1.09Å | 1.10Å | |
| C49 | H80 | sing | 1.09Å | 1.10Å | |
| C50 | H81 | sing | 1.09Å | 1.10Å | |
| C50 | H82 | sing | 1.09Å | 1.10Å | |
| C54 | H83 | sing | 1.09Å | 1.10Å | |
| C54 | H84 | sing | 1.09Å | 1.10Å | |
| C51 | H85 | sing | 1.09Å | 1.10Å | |
| C51 | H86 | sing | 1.09Å | 1.10Å | |
| C52 | H87 | sing | 1.09Å | 1.10Å | |
| C52 | H88 | sing | 1.09Å | 1.10Å | |
| C53 | H89 | sing | 1.09Å | 1.10Å | |
| C53 | H90 | sing | 1.09Å | 1.10Å | |
| N9 | C55 | sing | 1.47Å | 1.45Å | |
| N9 | C56 | sing | 1.49Å | 1.46Å | |
| C56 | C57 | sing | 1.51Å | 1.53Å | |
| C56 | C58 | sing | 1.53Å | 1.53Å | |
| C57 | O11 | doub | 1.21Å | 1.24Å | |
| C58 | C59 | sing | 1.53Å | 1.53Å | |
| C59 | C60 | sing | 1.53Å | 1.49Å | |
| C59 | C61 | sing | 1.53Å | 1.53Å | |
| C55 | H91 | sing | 1.09Å | 1.10Å | |
| C55 | H92 | sing | 1.09Å | 1.10Å | |
| C55 | H93 | sing | 1.09Å | 1.10Å | |
| C56 | H94 | sing | 1.09Å | 1.10Å | |
| C58 | H95 | sing | 1.09Å | 1.10Å | |
| C58 | H96 | sing | 1.09Å | 1.10Å | |
| C59 | H97 | sing | 1.09Å | 1.10Å | |
| C60 | H98 | sing | 1.09Å | 1.10Å | |
| C60 | H99 | sing | 1.09Å | 1.10Å | |
| C60 | H100 | sing | 1.09Å | 1.10Å | |
| C61 | H101 | sing | 1.09Å | 1.10Å | |
| C61 | H102 | sing | 1.09Å | 1.10Å | |
| C61 | H103 | sing | 1.09Å | 1.10Å | |
| N10 | C62 | sing | 1.48Å | 1.46Å | |
| N10 | H104 | sing | 0.97Å | 1.00Å | |
| C62 | C63 | sing | 1.51Å | 1.51Å | |
| C62 | H105 | sing | 1.09Å | 1.10Å | |
| C62 | H106 | sing | 1.09Å | 1.10Å | |
| C63 | O12 | doub | 1.21Å | 1.20Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C8 | N2 | sing | 1.35Å | 1.34Å | |
| C9 | N3 | sing | 1.35Å | 1.35Å | |
| C15 | N4 | sing | 1.37Å | 1.34Å | |
| O5 | C63 | sing | 1.35Å | 1.34Å | |
| C21 | N5 | sing | 1.35Å | 1.34Å | |
| C26 | N6 | sing | 1.37Å | 1.34Å | |
| C33 | N7 | sing | 1.37Å | 1.34Å | |
| C43 | N8 | sing | 1.35Å | 1.34Å | |
| C44 | N9 | sing | 1.37Å | 1.35Å | |
| C57 | N10 | sing | 1.37Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.5° | 120.0° |
| O1 | C1 | N1 | 121.6° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C2 | C1 | N1 | 117.9° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | C4 | 114.8° | 120.0° |
| N1 | C3 | H4 | 109.5° | 109.5° |
| N1 | C3 | H5 | 109.5° | 109.5° |
| N1 | C3 | H6 | 109.4° | 109.5° |
| C3 | N1 | C1 | 121.3° | 120.0° |
| N1 | C4 | C5 | 114.2° | 109.4° |
| N1 | C4 | C8 | 107.4° | 109.5° |
| N1 | C4 | H7 | 107.3° | 109.5° |
| C4 | N1 | C1 | 123.9° | 120.0° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H4 | C3 | H6 | 109.5° | 109.4° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| C5 | C4 | C8 | 113.7° | 109.5° |
| C5 | C4 | H7 | 106.9° | 109.5° |
| C4 | C5 | C6 | 108.9° | 109.5° |
| C4 | C5 | C7 | 109.5° | 109.5° |
| C4 | C5 | H8 | 108.9° | 109.5° |
| C8 | C4 | H7 | 106.9° | 109.5° |
| C4 | C8 | O2 | 120.5° | 120.0° |
| C4 | C8 | N2 | 118.0° | 120.0° |
| C6 | C5 | C7 | 111.2° | 109.5° |
| C6 | C5 | H8 | 109.0° | 109.4° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C5 | C6 | H10 | 109.4° | 109.5° |
| C5 | C6 | H11 | 109.5° | 109.5° |
| C7 | C5 | H8 | 109.1° | 109.5° |
| C5 | C7 | H12 | 109.5° | 109.5° |
| C5 | C7 | H13 | 109.4° | 109.5° |
| C5 | C7 | H14 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.4° |
| H9 | C6 | H11 | 109.5° | 109.4° |
| H10 | C6 | H11 | 109.5° | 109.4° |
| H12 | C7 | H13 | 109.5° | 109.5° |
| H12 | C7 | H14 | 109.5° | 109.4° |
| H13 | C7 | H14 | 109.5° | 109.5° |
| O2 | C8 | N2 | 121.5° | 120.0° |
| O3 | C9 | C10 | 120.5° | 120.0° |
| O3 | C9 | N3 | 121.4° | 120.0° |
| C9 | C10 | N2 | 110.3° | 109.9° |
| C9 | C10 | C11 | 112.6° | 109.9° |
| C9 | C10 | H15 | 109.8° | 109.8° |
| C10 | C9 | N3 | 118.1° | 120.0° |
| C10 | N2 | C12 | 112.2° | 108.7° |
| N2 | C10 | C11 | 103.6° | 107.3° |
| N2 | C10 | H15 | 110.6° | 109.9° |
| C10 | N2 | C8 | 120.1° | 125.7° |
| N2 | C12 | C14 | 102.8° | 104.7° |
| N2 | C12 | H18 | 111.1° | 110.4° |
| N2 | C12 | H19 | 111.1° | 110.4° |
| C12 | N2 | C8 | 127.7° | 125.6° |
| C11 | C10 | H15 | 109.7° | 110.1° |
| C10 | C11 | C14 | 103.6° | 103.0° |
| C10 | C11 | H16 | 110.9° | 110.8° |
| C10 | C11 | H17 | 110.9° | 110.7° |
| C14 | C11 | H16 | 110.9° | 110.7° |
| C14 | C11 | H17 | 110.9° | 110.7° |
| C11 | C14 | C12 | 102.5° | 101.5° |
| C11 | C14 | C13 | 113.0° | 111.0° |
| C11 | C14 | H23 | 109.1° | 111.0° |
| H16 | C11 | H17 | 109.5° | 110.7° |
| C14 | C12 | H18 | 111.1° | 110.5° |
| C14 | C12 | H19 | 111.1° | 110.4° |
| C12 | C14 | C13 | 113.6° | 110.9° |
| C12 | C14 | H23 | 109.1° | 111.2° |
| H18 | C12 | H19 | 109.5° | 110.4° |
| C14 | C13 | H20 | 109.5° | 109.4° |
| C14 | C13 | H21 | 109.5° | 109.4° |
| C14 | C13 | H22 | 109.5° | 109.5° |
| C13 | C14 | H23 | 109.3° | 110.9° |
| H20 | C13 | H21 | 109.5° | 109.5° |
| H20 | C13 | H22 | 109.4° | 109.5° |
| H21 | C13 | H22 | 109.5° | 109.5° |
| C19 | N3 | C16 | 118.4° | 120.0° |
| N3 | C19 | H29 | 109.5° | 109.5° |
| N3 | C19 | H30 | 109.4° | 109.5° |
| N3 | C19 | H31 | 109.4° | 109.5° |
| C19 | N3 | C9 | 123.1° | 120.0° |
| N3 | C16 | C15 | 109.6° | 109.4° |
| N3 | C16 | C17 | 116.2° | 109.4° |
| N3 | C16 | H24 | 107.3° | 109.4° |
| C16 | N3 | C9 | 118.5° | 120.0° |
| O4 | C15 | C16 | 122.5° | 120.4° |
| O4 | C15 | N4 | 122.3° | 120.4° |
| O5 | C17 | C16 | 110.9° | 109.5° |
| O5 | C17 | C18 | 110.2° | 109.4° |
| O5 | C17 | H25 | 109.4° | 109.4° |
| C17 | O5 | C63 | 115.5° | 116.7° |
| C15 | C16 | C17 | 110.2° | 109.9° |
| C15 | C16 | H24 | 106.5° | 109.3° |
| C16 | C15 | N4 | 115.1° | 119.2° |
| C17 | C16 | H24 | 106.5° | 109.4° |
| C16 | C17 | C18 | 109.8° | 109.5° |
| C16 | C17 | H25 | 108.1° | 109.5° |
| C18 | C17 | H25 | 108.3° | 109.5° |
| C17 | C18 | H26 | 109.5° | 109.5° |
| C17 | C18 | H27 | 109.5° | 109.4° |
| C17 | C18 | H28 | 109.4° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.4° |
| H26 | C18 | H28 | 109.5° | 109.5° |
| H27 | C18 | H28 | 109.5° | 109.5° |
| H29 | C19 | H30 | 109.5° | 109.4° |
| H29 | C19 | H31 | 109.5° | 109.5° |
| H30 | C19 | H31 | 109.5° | 109.4° |
| C20 | N4 | H32 | 118.5° | 122.1° |
| N4 | C20 | C21 | 107.0° | 108.8° |
| N4 | C20 | C22 | 112.1° | 109.6° |
| N4 | C20 | H33 | 110.2° | 109.6° |
| C20 | N4 | C15 | 122.9° | 115.8° |
| H32 | N4 | C15 | 118.6° | 122.2° |
| C21 | C20 | C22 | 109.1° | 109.6° |
| C21 | C20 | H33 | 109.3° | 109.6° |
| C20 | C21 | O6 | 119.6° | 120.1° |
| C20 | C21 | N5 | 118.9° | 119.7° |
| C22 | C20 | H33 | 109.2° | 109.7° |
| C20 | C22 | C23 | 114.4° | 109.5° |
| C20 | C22 | H34 | 108.2° | 109.4° |
| C20 | C22 | H35 | 108.2° | 109.5° |
| O6 | C21 | N5 | 121.5° | 120.2° |
| C23 | C22 | H34 | 108.2° | 109.5° |
| C23 | C22 | H35 | 108.2° | 109.5° |
| C22 | C23 | C24 | 110.5° | 109.5° |
| C22 | C23 | C25 | 111.6° | 109.5° |
| C22 | C23 | H36 | 108.0° | 109.5° |
| H34 | C22 | H35 | 109.5° | 109.5° |
| C24 | C23 | C25 | 110.5° | 109.4° |
| C24 | C23 | H36 | 108.0° | 109.5° |
| C23 | C24 | H37 | 109.5° | 109.5° |
| C23 | C24 | H38 | 109.4° | 109.5° |
| C23 | C24 | H39 | 109.5° | 109.5° |
| C25 | C23 | H36 | 108.0° | 109.4° |
| C23 | C25 | H40 | 109.5° | 109.5° |
| C23 | C25 | H41 | 109.4° | 109.5° |
| C23 | C25 | H42 | 109.5° | 109.5° |
| H37 | C24 | H38 | 109.5° | 109.5° |
| H37 | C24 | H39 | 109.5° | 109.4° |
| H38 | C24 | H39 | 109.5° | 109.4° |
| H40 | C25 | H41 | 109.5° | 109.5° |
| H40 | C25 | H42 | 109.5° | 109.4° |
| H41 | C25 | H42 | 109.5° | 109.4° |
| O7 | C26 | C27 | 121.5° | 120.3° |
| O7 | C26 | N6 | 122.8° | 120.3° |
| C26 | C27 | N5 | 113.2° | 109.7° |
| C26 | C27 | C28 | 114.4° | 109.8° |
| C26 | C27 | H43 | 108.9° | 109.7° |
| C27 | C26 | N6 | 115.6° | 119.4° |
| C27 | N5 | C29 | 112.1° | 109.4° |
| N5 | C27 | C28 | 101.8° | 108.2° |
| N5 | C27 | H43 | 109.6° | 109.7° |
| C27 | N5 | C21 | 121.8° | 125.3° |
| N5 | C29 | C31 | 103.1° | 108.2° |
| N5 | C29 | H46 | 111.1° | 109.8° |
| N5 | C29 | H47 | 111.0° | 109.7° |
| C29 | N5 | C21 | 126.0° | 125.3° |
| C28 | C27 | H43 | 108.7° | 109.7° |
| C27 | C28 | C31 | 102.4° | 106.0° |
| C27 | C28 | H44 | 111.2° | 110.2° |
| C27 | C28 | H45 | 111.2° | 110.1° |
| C31 | C28 | H44 | 111.2° | 110.2° |
| C31 | C28 | H45 | 111.2° | 110.2° |
| C28 | C31 | C29 | 102.2° | 104.5° |
| C28 | C31 | C30 | 114.0° | 110.4° |
| C28 | C31 | H51 | 109.0° | 110.5° |
| H44 | C28 | H45 | 109.5° | 110.1° |
| C31 | C29 | H46 | 111.0° | 109.7° |
| C31 | C29 | H47 | 111.0° | 109.7° |
| C29 | C31 | C30 | 113.4° | 110.4° |
| C29 | C31 | H51 | 108.9° | 110.4° |
| H46 | C29 | H47 | 109.5° | 109.6° |
| C31 | C30 | H48 | 109.5° | 109.5° |
| C31 | C30 | H49 | 109.4° | 109.5° |
| C31 | C30 | H50 | 109.5° | 109.5° |
| C30 | C31 | H51 | 109.1° | 110.4° |
| H48 | C30 | H49 | 109.4° | 109.5° |
| H48 | C30 | H50 | 109.5° | 109.4° |
| H49 | C30 | H50 | 109.5° | 109.5° |
| C32 | N6 | H52 | 120.1° | 122.4° |
| N6 | C32 | C33 | 109.8° | 108.7° |
| N6 | C32 | C34 | 112.8° | 109.6° |
| N6 | C32 | H53 | 109.5° | 109.6° |
| C32 | N6 | C26 | 119.7° | 115.2° |
| H52 | N6 | C26 | 120.2° | 122.4° |
| C33 | C32 | C34 | 107.7° | 109.6° |
| C33 | C32 | H53 | 108.4° | 109.6° |
| C32 | C33 | O8 | 118.9° | 120.8° |
| C32 | C33 | N7 | 120.9° | 118.4° |
| C34 | C32 | H53 | 108.6° | 109.7° |
| C32 | C34 | C35 | 114.1° | 109.5° |
| C32 | C34 | H54 | 108.3° | 109.5° |
| C32 | C34 | H55 | 108.3° | 109.5° |
| O8 | C33 | N7 | 120.3° | 120.8° |
| C35 | C34 | H54 | 108.3° | 109.5° |
| C35 | C34 | H55 | 108.3° | 109.4° |
| C34 | C35 | C36 | 109.2° | 109.4° |
| C34 | C35 | C37 | 114.0° | 109.5° |
| C34 | C35 | H56 | 108.0° | 109.5° |
| H54 | C34 | H55 | 109.5° | 109.4° |
| C36 | C35 | C37 | 109.7° | 109.5° |
| C36 | C35 | H56 | 107.7° | 109.5° |
| C35 | C36 | H57 | 109.5° | 109.5° |
| C35 | C36 | H58 | 109.5° | 109.5° |
| C35 | C36 | H59 | 109.4° | 109.5° |
| C37 | C35 | H56 | 108.1° | 109.5° |
| C35 | C37 | H60 | 109.5° | 109.5° |
| C35 | C37 | H61 | 109.5° | 109.5° |
| C35 | C37 | H62 | 109.5° | 109.5° |
| H57 | C36 | H58 | 109.5° | 109.5° |
| H57 | C36 | H59 | 109.4° | 109.5° |
| H58 | C36 | H59 | 109.5° | 109.4° |
| H60 | C37 | H61 | 109.5° | 109.5° |
| H60 | C37 | H62 | 109.5° | 109.4° |
| H61 | C37 | H62 | 109.4° | 109.5° |
| C38 | N7 | C39 | 116.0° | 121.6° |
| N7 | C38 | H63 | 109.5° | 109.4° |
| N7 | C38 | H64 | 109.5° | 109.5° |
| N7 | C38 | H65 | 109.5° | 109.4° |
| C38 | N7 | C33 | 121.2° | 121.7° |
| N7 | C39 | C40 | 111.9° | 109.5° |
| N7 | C39 | C43 | 107.1° | 109.1° |
| N7 | C39 | H66 | 107.6° | 109.6° |
| C39 | N7 | C33 | 122.8° | 116.7° |
| H63 | C38 | H64 | 109.5° | 109.4° |
| H63 | C38 | H65 | 109.5° | 109.4° |
| H64 | C38 | H65 | 109.4° | 109.5° |
| C40 | C39 | C43 | 115.2° | 109.5° |
| C40 | C39 | H66 | 107.2° | 109.5° |
| C39 | C40 | C41 | 109.6° | 109.5° |
| C39 | C40 | C42 | 109.9° | 109.5° |
| C39 | C40 | H67 | 108.7° | 109.4° |
| C43 | C39 | H66 | 107.4° | 109.6° |
| C39 | C43 | O9 | 120.8° | 119.6° |
| C39 | C43 | N8 | 118.8° | 120.8° |
| C41 | C40 | C42 | 110.9° | 109.5° |
| C41 | C40 | H67 | 108.9° | 109.4° |
| C40 | C41 | H68 | 109.5° | 109.5° |
| C40 | C41 | H69 | 109.5° | 109.5° |
| C40 | C41 | H70 | 109.5° | 109.5° |
| C42 | C40 | H67 | 108.8° | 109.5° |
| C40 | C42 | H71 | 109.5° | 109.5° |
| C40 | C42 | H72 | 109.4° | 109.4° |
| C40 | C42 | H73 | 109.5° | 109.5° |
| H68 | C41 | H69 | 109.5° | 109.5° |
| H68 | C41 | H70 | 109.5° | 109.4° |
| H69 | C41 | H70 | 109.5° | 109.5° |
| H71 | C42 | H72 | 109.4° | 109.5° |
| H71 | C42 | H73 | 109.4° | 109.5° |
| H72 | C42 | H73 | 109.5° | 109.5° |
| O9 | C43 | N8 | 120.4° | 119.6° |
| O10 | C44 | C45 | 121.0° | 120.4° |
| O10 | C44 | N9 | 121.7° | 120.4° |
| C44 | C45 | C46 | 110.1° | 111.6° |
| C44 | C45 | N8 | 116.2° | 110.3° |
| C44 | C45 | H74 | 109.8° | 109.1° |
| C45 | C44 | N9 | 117.1° | 119.3° |
| C46 | C45 | N8 | 100.1° | 107.5° |
| C45 | C46 | C47 | 100.6° | 104.7° |
| C46 | C45 | H74 | 109.4° | 109.4° |
| C45 | C46 | H75 | 111.6° | 110.4° |
| C45 | C46 | H76 | 111.6° | 110.3° |
| C45 | N8 | C48 | 112.8° | 108.8° |
| N8 | C45 | H74 | 110.7° | 108.9° |
| C45 | N8 | C43 | 127.1° | 125.1° |
| C46 | C47 | C48 | 104.1° | 106.4° |
| C46 | C47 | C49 | 116.5° | 110.1° |
| C47 | C46 | H75 | 111.6° | 110.4° |
| C47 | C46 | H76 | 111.6° | 110.4° |
| C46 | C47 | H77 | 107.9° | 110.1° |
| C48 | C47 | C49 | 112.3° | 110.1° |
| C47 | C48 | N8 | 102.7° | 107.9° |
| C48 | C47 | H77 | 108.0° | 110.1° |
| C47 | C48 | H78 | 111.1° | 109.8° |
| C47 | C48 | H79 | 111.2° | 109.8° |
| C47 | C49 | C50 | 111.1° | 109.5° |
| C47 | C49 | C54 | 111.9° | 109.5° |
| C49 | C47 | H77 | 107.8° | 110.1° |
| C47 | C49 | H80 | 107.4° | 109.5° |
| N8 | C48 | H78 | 111.1° | 109.8° |
| N8 | C48 | H79 | 111.1° | 109.8° |
| C48 | N8 | C43 | 120.0° | 126.1° |
| C50 | C49 | C54 | 111.0° | 109.5° |
| C49 | C50 | C51 | 111.0° | 109.5° |
| C50 | C49 | H80 | 107.6° | 109.5° |
| C49 | C50 | H81 | 109.1° | 109.4° |
| C49 | C50 | H82 | 109.1° | 109.5° |
| C49 | C54 | C53 | 111.0° | 109.5° |
| C54 | C49 | H80 | 107.6° | 109.4° |
| C49 | C54 | H83 | 109.1° | 109.5° |
| C49 | C54 | H84 | 109.1° | 109.5° |
| C50 | C51 | C52 | 110.7° | 109.5° |
| C51 | C50 | H81 | 109.1° | 109.5° |
| C51 | C50 | H82 | 109.1° | 109.5° |
| C50 | C51 | H85 | 109.1° | 109.4° |
| C50 | C51 | H86 | 109.2° | 109.5° |
| C51 | C52 | C53 | 111.7° | 109.5° |
| C52 | C51 | H85 | 109.1° | 109.5° |
| C52 | C51 | H86 | 109.1° | 109.5° |
| C51 | C52 | H87 | 108.9° | 109.4° |
| C51 | C52 | H88 | 108.9° | 109.5° |
| C52 | C53 | C54 | 110.7° | 109.4° |
| C53 | C52 | H87 | 108.9° | 109.5° |
| C53 | C52 | H88 | 108.9° | 109.5° |
| C52 | C53 | H89 | 109.2° | 109.5° |
| C52 | C53 | H90 | 109.1° | 109.5° |
| C53 | C54 | H83 | 109.1° | 109.4° |
| C53 | C54 | H84 | 109.1° | 109.4° |
| C54 | C53 | H89 | 109.2° | 109.4° |
| C54 | C53 | H90 | 109.2° | 109.4° |
| H75 | C46 | H76 | 109.5° | 110.5° |
| H78 | C48 | H79 | 109.5° | 109.8° |
| H81 | C50 | H82 | 109.5° | 109.5° |
| H83 | C54 | H84 | 109.4° | 109.5° |
| H85 | C51 | H86 | 109.5° | 109.4° |
| H87 | C52 | H88 | 109.5° | 109.5° |
| H89 | C53 | H90 | 109.5° | 109.5° |
| C55 | N9 | C56 | 117.2° | 123.7° |
| N9 | C55 | H91 | 109.5° | 109.5° |
| N9 | C55 | H92 | 109.5° | 109.5° |
| N9 | C55 | H93 | 109.5° | 109.5° |
| C55 | N9 | C44 | 122.6° | 123.7° |
| N9 | C56 | C57 | 112.9° | 109.7° |
| N9 | C56 | C58 | 112.5° | 109.4° |
| N9 | C56 | H94 | 107.9° | 109.4° |
| C56 | N9 | C44 | 120.1° | 112.5° |
| C57 | C56 | C58 | 109.0° | 109.5° |
| C56 | C57 | O11 | 121.8° | 121.1° |
| C57 | C56 | H94 | 107.2° | 109.4° |
| C56 | C57 | N10 | 116.5° | 117.7° |
| C56 | C58 | C59 | 115.0° | 109.5° |
| C58 | C56 | H94 | 107.1° | 109.4° |
| C56 | C58 | H95 | 108.0° | 109.4° |
| C56 | C58 | H96 | 108.1° | 109.5° |
| O11 | C57 | N10 | 121.7° | 121.2° |
| C58 | C59 | C60 | 113.3° | 109.5° |
| C58 | C59 | C61 | 107.8° | 109.5° |
| C59 | C58 | H95 | 108.1° | 109.5° |
| C59 | C58 | H96 | 108.1° | 109.5° |
| C58 | C59 | H97 | 108.0° | 109.4° |
| C60 | C59 | C61 | 111.1° | 109.5° |
| C60 | C59 | H97 | 108.4° | 109.5° |
| C59 | C60 | H98 | 109.5° | 109.4° |
| C59 | C60 | H99 | 109.5° | 109.5° |
| C59 | C60 | H100 | 109.5° | 109.5° |
| C61 | C59 | H97 | 108.0° | 109.5° |
| C59 | C61 | H101 | 109.5° | 109.5° |
| C59 | C61 | H102 | 109.5° | 109.5° |
| C59 | C61 | H103 | 109.5° | 109.5° |
| H91 | C55 | H92 | 109.5° | 109.5° |
| H91 | C55 | H93 | 109.5° | 109.5° |
| H92 | C55 | H93 | 109.5° | 109.5° |
| H95 | C58 | H96 | 109.5° | 109.4° |
| H98 | C60 | H99 | 109.5° | 109.4° |
| H98 | C60 | H100 | 109.5° | 109.5° |
| H99 | C60 | H100 | 109.5° | 109.5° |
| H101 | C61 | H102 | 109.5° | 109.5° |
| H101 | C61 | H103 | 109.5° | 109.5° |
| H102 | C61 | H103 | 109.5° | 109.5° |
| C62 | N10 | H104 | 119.7° | 121.9° |
| N10 | C62 | C63 | 111.5° | 108.8° |
| N10 | C62 | H105 | 109.0° | 109.6° |
| N10 | C62 | H106 | 109.0° | 109.6° |
| C62 | N10 | C57 | 120.6° | 116.1° |
| H104 | N10 | C57 | 119.7° | 122.0° |
| C63 | C62 | H105 | 109.0° | 109.6° |
| C63 | C62 | H106 | 109.0° | 109.5° |
| C62 | C63 | O12 | 124.9° | 120.5° |
| C62 | C63 | O5 | 109.7° | 119.0° |
| H105 | C62 | H106 | 109.4° | 109.7° |
| O12 | C63 | O5 | 125.4° | 120.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 178.2° | 179.8° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 178.8° | 180.0° |
| O1 | C1 | N1 | C4 | 1.0° | 0.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 0.7° | 0.3° |
| C2 | C1 | N1 | C4 | 177.2° | 179.7° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 178.2° | 179.8° |
| H2 | C2 | C1 | N1 | 61.8° | 59.7° |
| H3 | C2 | C1 | N1 | 58.1° | 60.2° |
| C3 | N1 | C4 | C1 | 178.0° | 180.0° |
| N1 | C3 | H4 | H5 | 120.0° | 120.0° |
| N1 | C3 | H4 | H6 | 120.0° | 120.0° |
| N1 | C3 | H5 | H6 | 120.0° | 120.1° |
| C3 | N1 | C4 | C5 | 71.0° | 60.0° |
| C3 | N1 | C4 | C8 | 56.1° | 60.0° |
| C3 | N1 | C4 | H7 | 170.8° | 180.0° |
| C4 | N1 | C3 | H4 | 180.0° | 90.0° |
| C4 | N1 | C3 | H5 | 60.0° | 30.0° |
| C4 | N1 | C3 | H6 | 60.0° | 150.0° |
| N1 | C4 | C5 | C8 | 123.7° | 120.0° |
| N1 | C4 | C5 | H7 | 118.5° | 120.0° |
| N1 | C4 | C8 | H7 | 115.0° | 120.0° |
| N1 | C4 | C5 | C6 | 167.4° | 175.4° |
| N1 | C4 | C5 | C7 | 45.5° | 64.5° |
| N1 | C4 | C5 | H8 | 73.8° | 55.5° |
| N1 | C4 | C8 | O2 | 108.9° | 53.2° |
| N1 | C4 | C8 | N2 | 71.2° | 126.8° |
| H4 | C3 | H5 | H6 | 120.0° | 119.9° |
| H4 | C3 | N1 | C1 | 1.9° | 90.0° |
| H5 | C3 | N1 | C1 | 121.9° | 150.1° |
| H6 | C3 | N1 | C1 | 118.1° | 30.0° |
| C5 | C4 | C8 | H7 | 117.7° | 120.0° |
| C4 | C5 | C6 | C7 | 120.8° | 120.1° |
| C4 | C5 | C6 | H8 | 118.8° | 120.0° |
| C4 | C5 | C7 | H8 | 119.2° | 120.1° |
| C4 | C5 | C6 | H9 | 180.0° | 64.9° |
| C4 | C5 | C6 | H10 | 60.0° | 175.1° |
| C4 | C5 | C6 | H11 | 60.0° | 55.1° |
| C4 | C5 | C7 | H12 | 180.0° | 60.0° |
| C4 | C5 | C7 | H13 | 60.0° | 180.0° |
| C4 | C5 | C7 | H14 | 60.0° | 59.9° |
| C5 | C4 | C8 | O2 | 18.4° | 66.8° |
| C5 | C4 | N1 | C1 | 107.0° | 120.0° |
| C5 | C4 | C8 | N2 | 161.5° | 113.2° |
| C8 | C4 | C5 | C6 | 68.9° | 55.4° |
| C8 | C4 | C5 | C7 | 169.3° | 175.5° |
| C8 | C4 | C5 | H8 | 50.0° | 64.5° |
| C4 | C8 | O2 | N2 | 179.9° | 180.0° |
| C4 | C8 | N2 | C10 | 179.8° | 175.3° |
| C4 | C8 | N2 | C12 | 1.9° | 5.0° |
| C8 | C4 | N1 | C1 | 125.9° | 120.0° |
| H7 | C4 | C5 | C6 | 48.8° | 64.6° |
| H7 | C4 | C5 | C7 | 73.0° | 55.4° |
| H7 | C4 | C5 | H8 | 167.7° | 175.5° |
| H7 | C4 | C8 | O2 | 136.1° | 173.2° |
| H7 | C4 | N1 | C1 | 11.2° | 0.0° |
| H7 | C4 | C8 | N2 | 43.8° | 6.8° |
| C6 | C5 | C7 | H8 | 120.4° | 119.9° |
| C5 | C6 | H9 | H10 | 120.0° | 120.0° |
| C5 | C6 | H9 | H11 | 120.0° | 120.0° |
| C5 | C6 | H10 | H11 | 120.0° | 120.0° |
| C6 | C5 | C7 | H12 | 59.5° | 180.0° |
| C6 | C5 | C7 | H13 | 60.5° | 60.0° |
| C6 | C5 | C7 | H14 | 179.5° | 60.1° |
| C7 | C5 | C6 | H9 | 59.2° | 55.1° |
| C7 | C5 | C6 | H10 | 179.2° | 64.8° |
| C7 | C5 | C6 | H11 | 60.9° | 175.1° |
| C5 | C7 | H12 | H13 | 120.0° | 120.0° |
| C5 | C7 | H12 | H14 | 120.0° | 120.0° |
| C5 | C7 | H13 | H14 | 120.0° | 120.1° |
| H8 | C5 | C6 | H9 | 61.2° | 175.1° |
| H8 | C5 | C6 | H10 | 58.8° | 55.1° |
| H8 | C5 | C6 | H11 | 178.7° | 64.9° |
| H8 | C5 | C7 | H12 | 60.8° | 60.1° |
| H8 | C5 | C7 | H13 | 179.2° | 59.9° |
| H8 | C5 | C7 | H14 | 59.2° | NaN° |
| H9 | C6 | H10 | H11 | 120.0° | 119.9° |
| H12 | C7 | H13 | H14 | 120.0° | 119.9° |
| O2 | C8 | N2 | C10 | 0.4° | 4.7° |
| O2 | C8 | N2 | C12 | 178.0° | 175.0° |
| O3 | C9 | C10 | N3 | 177.9° | 179.9° |
| O3 | C9 | C10 | N2 | 23.9° | 18.5° |
| O3 | C9 | C10 | C11 | 91.3° | 99.3° |
| O3 | C9 | C10 | H15 | 146.1° | 139.5° |
| O3 | C9 | N3 | C19 | 179.4° | 179.9° |
| O3 | C9 | N3 | C16 | 1.8° | 0.1° |
| C9 | C10 | N2 | C11 | 120.8° | 119.4° |
| C9 | C10 | N2 | H15 | 121.7° | 121.0° |
| C9 | C10 | N2 | C12 | 113.4° | 120.7° |
| C9 | C10 | C11 | H15 | 122.7° | 121.1° |
| C9 | C10 | C11 | C14 | 90.5° | 97.2° |
| C9 | C10 | C11 | H16 | 28.6° | 21.1° |
| C9 | C10 | C11 | H17 | 150.5° | 144.4° |
| C10 | C9 | N3 | C19 | 2.7° | 0.0° |
| C10 | C9 | N3 | C16 | 176.1° | 180.0° |
| C9 | C10 | N2 | C8 | 65.2° | 59.6° |
| C10 | N2 | C12 | C8 | 178.5° | 179.7° |
| N2 | C10 | C11 | H15 | 118.2° | 119.5° |
| N2 | C10 | C11 | C14 | 28.7° | 22.2° |
| N2 | C10 | C11 | H16 | 147.8° | 140.5° |
| N2 | C10 | C11 | H17 | 90.3° | 96.2° |
| C10 | N2 | C12 | C14 | 17.0° | 24.5° |
| C10 | N2 | C12 | H18 | 102.0° | 94.5° |
| C10 | N2 | C12 | H19 | 135.9° | 143.2° |
| N2 | C10 | C9 | N3 | 158.2° | 161.4° |
| C12 | N2 | C10 | C11 | 7.3° | 1.3° |
| C12 | N2 | C10 | H15 | 124.8° | 118.3° |
| N2 | C12 | C14 | C11 | 34.0° | 37.3° |
| N2 | C12 | C14 | H18 | 118.9° | 118.8° |
| N2 | C12 | C14 | H19 | 118.9° | 118.8° |
| N2 | C12 | H18 | H19 | 123.1° | 122.3° |
| N2 | C12 | C14 | C13 | 156.2° | 155.3° |
| N2 | C12 | C14 | H23 | 81.6° | 80.9° |
| C10 | C11 | C14 | H16 | 119.1° | 118.4° |
| C10 | C11 | C14 | H17 | 119.0° | 118.4° |
| C10 | C11 | H16 | H17 | 122.7° | 123.3° |
| C10 | C11 | C14 | C12 | 39.1° | 35.7° |
| C10 | C11 | C14 | C13 | 161.7° | 153.6° |
| C10 | C11 | C14 | H23 | 76.5° | 82.6° |
| C11 | C10 | N2 | C8 | 174.1° | 179.0° |
| C11 | C10 | C9 | N3 | 86.6° | 80.8° |
| H15 | C10 | C11 | C14 | 146.9° | 141.7° |
| H15 | C10 | C11 | H16 | 94.1° | 99.9° |
| H15 | C10 | C11 | H17 | 27.8° | 23.3° |
| H15 | C10 | N2 | C8 | 56.5° | 61.4° |
| H15 | C10 | C9 | N3 | 36.0° | 40.4° |
| C14 | C11 | H16 | H17 | 122.7° | 123.2° |
| C11 | C14 | C12 | C13 | 122.2° | 118.0° |
| C11 | C14 | C12 | H23 | 115.6° | 118.1° |
| C11 | C14 | C12 | H18 | 84.9° | 81.6° |
| C11 | C14 | C12 | H19 | 152.9° | 156.1° |
| C11 | C14 | C13 | H23 | 121.7° | 123.9° |
| C11 | C14 | C13 | H20 | 180.0° | 60.0° |
| C11 | C14 | C13 | H21 | 60.0° | 180.0° |
| C11 | C14 | C13 | H22 | 60.0° | 60.0° |
| H16 | C11 | C14 | C12 | 158.1° | 154.1° |
| H16 | C11 | C14 | C13 | 79.2° | 88.0° |
| H16 | C11 | C14 | H23 | 42.6° | 35.8° |
| H17 | C11 | C14 | C12 | 80.0° | 82.7° |
| H17 | C11 | C14 | C13 | 42.7° | 35.2° |
| H17 | C11 | C14 | H23 | 164.5° | 159.0° |
| C14 | C12 | H18 | H19 | 123.1° | 122.4° |
| C12 | C14 | C13 | H23 | 122.1° | 124.0° |
| C12 | C14 | C13 | H20 | 63.8° | 52.0° |
| C12 | C14 | C13 | H21 | 176.2° | 68.0° |
| C12 | C14 | C13 | H22 | 56.2° | 172.0° |
| C14 | C12 | N2 | C8 | 161.5° | 155.8° |
| H18 | C12 | C14 | C13 | 37.3° | 36.4° |
| H18 | C12 | C14 | H23 | 159.5° | 160.3° |
| H18 | C12 | N2 | C8 | 79.5° | 85.2° |
| H19 | C12 | C14 | C13 | 84.9° | 85.9° |
| H19 | C12 | C14 | H23 | 37.3° | 37.9° |
| H19 | C12 | N2 | C8 | 42.6° | 37.1° |
| C14 | C13 | H20 | H21 | 120.0° | 120.0° |
| C14 | C13 | H20 | H22 | 120.0° | 120.0° |
| C14 | C13 | H21 | H22 | 120.0° | 120.0° |
| H20 | C13 | H21 | H22 | 120.0° | 120.0° |
| H20 | C13 | C14 | H23 | 58.3° | 176.1° |
| H21 | C13 | C14 | H23 | 61.7° | 56.1° |
| H22 | C13 | C14 | H23 | 178.3° | 63.9° |
| C19 | N3 | C16 | C9 | 178.8° | 180.0° |
| C19 | N3 | C16 | C15 | 72.9° | 53.8° |
| C19 | N3 | C16 | C17 | 52.8° | 66.7° |
| C19 | N3 | C16 | H24 | 171.8° | 173.5° |
| N3 | C19 | H29 | H30 | 120.0° | 120.0° |
| N3 | C19 | H29 | H31 | 120.0° | 120.1° |
| N3 | C19 | H30 | H31 | 119.9° | 120.0° |
| N3 | C16 | C15 | O4 | 19.2° | 93.0° |
| N3 | C16 | C17 | O5 | 69.7° | 28.8° |
| N3 | C16 | C15 | C17 | 129.1° | 120.2° |
| N3 | C16 | C15 | H24 | 115.8° | 119.8° |
| N3 | C16 | C17 | H24 | 119.5° | 119.8° |
| N3 | C16 | C17 | C18 | 52.4° | 91.2° |
| N3 | C16 | C17 | H25 | 170.4° | 148.7° |
| C16 | N3 | C19 | H29 | 180.0° | 87.0° |
| C16 | N3 | C19 | H30 | 60.0° | 33.0° |
| C16 | N3 | C19 | H31 | 60.0° | 153.0° |
| N3 | C16 | C15 | N4 | 165.5° | 87.0° |
| O4 | C15 | C16 | N4 | 175.2° | 180.0° |
| O4 | C15 | C16 | C17 | 109.9° | 27.2° |
| O4 | C15 | C16 | H24 | 135.0° | 147.2° |
| O4 | C15 | N4 | C20 | 10.1° | 0.1° |
| O4 | C15 | N4 | H32 | 169.8° | 180.0° |
| O5 | C17 | C16 | C15 | 55.7° | 91.4° |
| O5 | C17 | C16 | C18 | 122.0° | 120.0° |
| O5 | C17 | C16 | H25 | 119.9° | 120.0° |
| O5 | C17 | C16 | H24 | 170.8° | 148.6° |
| O5 | C17 | C18 | H25 | 119.7° | 119.9° |
| O5 | C17 | C18 | H26 | 180.0° | 70.1° |
| O5 | C17 | C18 | H27 | 60.0° | 170.0° |
| O5 | C17 | C18 | H28 | 60.0° | 50.0° |
| C17 | O5 | C63 | C62 | 177.6° | 179.1° |
| C17 | O5 | C63 | O12 | 2.2° | 0.9° |
| C15 | C16 | C17 | H24 | 115.1° | 120.0° |
| C15 | C16 | C17 | C18 | 177.7° | 148.6° |
| C15 | C16 | C17 | H25 | 64.2° | 28.6° |
| C16 | C15 | N4 | C20 | 165.1° | 179.9° |
| C16 | C15 | N4 | H32 | 14.9° | 0.0° |
| C15 | C16 | N3 | C9 | 105.9° | 126.2° |
| C16 | C17 | C18 | H25 | 117.9° | 120.1° |
| C16 | C17 | C18 | H26 | 57.5° | 169.9° |
| C16 | C17 | C18 | H27 | 62.4° | 50.0° |
| C16 | C17 | C18 | H28 | 177.6° | 70.0° |
| C17 | C16 | N3 | C9 | 128.4° | 113.4° |
| C17 | C16 | C15 | N4 | 65.4° | 152.8° |
| C16 | C17 | O5 | C63 | 144.8° | 135.5° |
| H24 | C16 | C17 | C18 | 67.2° | 28.6° |
| H24 | C16 | C17 | H25 | 50.8° | 91.4° |
| H24 | C16 | N3 | C9 | 9.3° | 6.5° |
| H24 | C16 | C15 | N4 | 49.8° | 32.8° |
| C17 | C18 | H26 | H27 | 120.0° | 119.9° |
| C17 | C18 | H26 | H28 | 120.0° | 120.1° |
| C17 | C18 | H27 | H28 | 120.0° | 120.0° |
| C18 | C17 | O5 | C63 | 93.4° | 15.5° |
| H25 | C17 | C18 | H26 | 60.3° | 49.8° |
| H25 | C17 | C18 | H27 | 179.7° | 70.1° |
| H25 | C17 | C18 | H28 | 59.7° | 169.9° |
| H25 | C17 | O5 | C63 | 25.6° | 104.4° |
| H26 | C18 | H27 | H28 | 120.0° | 120.0° |
| H29 | C19 | H30 | H31 | 120.0° | 120.0° |
| H29 | C19 | N3 | C9 | 1.2° | 93.0° |
| H30 | C19 | N3 | C9 | 118.8° | 147.0° |
| H31 | C19 | N3 | C9 | 121.2° | 27.1° |
| C20 | N4 | H32 | C15 | 180.0° | 179.9° |
| N4 | C20 | C21 | C22 | 121.4° | 119.8° |
| N4 | C20 | C21 | H33 | 119.3° | 119.8° |
| N4 | C20 | C22 | H33 | 122.4° | 120.3° |
| N4 | C20 | C21 | O6 | 23.0° | 25.3° |
| N4 | C20 | C22 | C23 | 63.4° | 53.7° |
| N4 | C20 | C22 | H34 | 57.3° | 66.3° |
| N4 | C20 | C22 | H35 | 175.9° | 173.7° |
| N4 | C20 | C21 | N5 | 155.5° | 154.7° |
| H32 | N4 | C20 | C21 | 121.2° | 86.0° |
| H32 | N4 | C20 | C22 | 1.7° | 154.1° |
| H32 | N4 | C20 | H33 | 120.2° | 33.8° |
| C21 | C20 | C22 | H33 | 119.4° | 120.4° |
| C20 | C21 | O6 | N5 | 178.4° | 179.9° |
| C21 | C20 | C22 | C23 | 178.4° | 173.0° |
| C21 | C20 | C22 | H34 | 60.9° | 53.0° |
| C21 | C20 | C22 | H35 | 57.6° | 66.9° |
| C20 | C21 | N5 | C27 | 176.0° | 179.8° |
| C20 | C21 | N5 | C29 | 0.2° | 0.1° |
| C21 | C20 | N4 | C15 | 58.8° | 93.9° |
| C22 | C20 | C21 | O6 | 98.4° | 94.5° |
| C20 | C22 | C23 | H34 | 120.7° | 120.0° |
| C20 | C22 | C23 | H35 | 120.7° | 120.0° |
| C20 | C22 | H34 | H35 | 117.8° | 120.0° |
| C20 | C22 | C23 | C24 | 171.1° | 175.0° |
| C20 | C22 | C23 | C25 | 65.5° | 65.0° |
| C20 | C22 | C23 | H36 | 53.1° | 55.0° |
| C22 | C20 | N4 | C15 | 178.3° | 25.9° |
| C22 | C20 | C21 | N5 | 83.1° | 85.5° |
| H33 | C20 | C21 | O6 | 142.3° | 145.1° |
| H33 | C20 | C22 | C23 | 59.0° | 66.6° |
| H33 | C20 | C22 | H34 | 179.7° | 173.4° |
| H33 | C20 | C22 | H35 | 61.7° | 53.4° |
| H33 | C20 | N4 | C15 | 59.8° | 146.3° |
| H33 | C20 | C21 | N5 | 36.2° | 35.0° |
| O6 | C21 | N5 | C27 | 2.4° | 0.3° |
| O6 | C21 | N5 | C29 | 178.2° | 179.8° |
| C23 | C22 | H34 | H35 | 117.7° | 120.0° |
| C22 | C23 | C24 | C25 | 124.0° | 120.0° |
| C22 | C23 | C24 | H36 | 118.0° | 120.1° |
| C22 | C23 | C25 | H36 | 118.6° | 120.0° |
| C22 | C23 | C24 | H37 | 180.0° | 59.9° |
| C22 | C23 | C24 | H38 | 60.0° | 180.0° |
| C22 | C23 | C24 | H39 | 60.0° | 60.0° |
| C22 | C23 | C25 | H40 | 180.0° | 60.0° |
| C22 | C23 | C25 | H41 | 60.0° | 180.0° |
| C22 | C23 | C25 | H42 | 60.0° | 60.0° |
| H34 | C22 | C23 | C24 | 50.4° | 55.0° |
| H34 | C22 | C23 | C25 | 173.8° | 175.0° |
| H34 | C22 | C23 | H36 | 67.6° | 65.0° |
| H35 | C22 | C23 | C24 | 68.1° | 65.0° |
| H35 | C22 | C23 | C25 | 55.2° | 55.0° |
| H35 | C22 | C23 | H36 | 173.9° | 175.0° |
| C24 | C23 | C25 | H36 | 118.0° | 119.9° |
| C23 | C24 | H37 | H38 | 120.0° | 120.0° |
| C23 | C24 | H37 | H39 | 120.0° | 120.0° |
| C23 | C24 | H38 | H39 | 120.0° | 120.0° |
| C24 | C23 | C25 | H40 | 56.6° | 180.0° |
| C24 | C23 | C25 | H41 | 63.4° | 60.0° |
| C24 | C23 | C25 | H42 | 176.6° | 60.0° |
| C25 | C23 | C24 | H37 | 56.0° | 60.0° |
| C25 | C23 | C24 | H38 | 175.9° | 60.0° |
| C25 | C23 | C24 | H39 | 64.1° | 180.0° |
| C23 | C25 | H40 | H41 | 120.0° | 120.1° |
| C23 | C25 | H40 | H42 | 120.0° | 120.0° |
| C23 | C25 | H41 | H42 | 120.0° | 120.0° |
| H36 | C23 | C24 | H37 | 62.0° | 180.0° |
| H36 | C23 | C24 | H38 | 58.0° | 59.9° |
| H36 | C23 | C24 | H39 | 178.0° | 60.0° |
| H36 | C23 | C25 | H40 | 61.4° | 60.0° |
| H36 | C23 | C25 | H41 | 178.6° | 60.0° |
| H36 | C23 | C25 | H42 | 58.6° | 180.0° |
| H37 | C24 | H38 | H39 | 120.0° | 120.0° |
| H40 | C25 | H41 | H42 | 120.0° | 119.9° |
| O7 | C26 | C27 | N6 | 179.1° | 179.9° |
| O7 | C26 | C27 | N5 | 125.1° | 62.7° |
| O7 | C26 | C27 | C28 | 9.0° | 56.1° |
| O7 | C26 | C27 | H43 | 112.8° | 176.7° |
| O7 | C26 | N6 | C32 | 0.6° | 2.6° |
| O7 | C26 | N6 | H52 | 179.4° | 177.5° |
| C26 | C27 | N5 | C28 | 123.3° | 119.8° |
| C26 | C27 | N5 | H43 | 121.8° | 120.6° |
| C26 | C27 | N5 | C29 | 105.5° | 121.1° |
| C26 | C27 | C28 | H43 | 121.9° | 120.6° |
| C26 | C27 | C28 | C31 | 85.5° | 108.9° |
| C26 | C27 | C28 | H44 | 33.3° | 10.3° |
| C26 | C27 | C28 | H45 | 155.7° | 132.0° |
| C27 | C26 | N6 | C32 | 178.5° | 177.5° |
| C27 | C26 | N6 | H52 | 1.5° | 2.4° |
| C26 | C27 | N5 | C21 | 78.2° | 59.0° |
| C27 | N5 | C29 | C21 | 176.1° | 179.9° |
| N5 | C27 | C28 | H43 | 115.6° | 119.7° |
| N5 | C27 | C28 | C31 | 37.0° | 10.8° |
| N5 | C27 | C28 | H44 | 155.8° | 130.0° |
| N5 | C27 | C28 | H45 | 81.9° | 108.3° |
| C27 | N5 | C29 | C31 | 8.7° | 13.0° |
| C27 | N5 | C29 | H46 | 110.3° | 106.7° |
| C27 | N5 | C29 | H47 | 127.7° | 132.7° |
| N5 | C27 | C26 | N6 | 55.8° | 117.2° |
| C29 | N5 | C27 | C28 | 17.8° | 1.3° |
| C29 | N5 | C27 | H43 | 132.7° | 118.4° |
| N5 | C29 | C31 | C28 | 31.6° | 19.2° |
| N5 | C29 | C31 | H46 | 119.0° | 119.8° |
| N5 | C29 | C31 | H47 | 119.0° | 119.7° |
| N5 | C29 | H46 | H47 | 122.9° | 120.6° |
| N5 | C29 | C31 | C30 | 154.7° | 138.0° |
| N5 | C29 | C31 | H51 | 83.6° | 99.6° |
| C27 | C28 | C31 | H44 | 118.8° | 119.2° |
| C27 | C28 | C31 | H45 | 118.9° | 119.1° |
| C27 | C28 | H44 | H45 | 123.3° | 121.7° |
| C27 | C28 | C31 | C29 | 42.9° | 18.0° |
| C27 | C28 | C31 | C30 | 165.5° | 136.7° |
| C27 | C28 | C31 | H51 | 72.3° | 100.8° |
| C28 | C27 | N5 | C21 | 158.6° | 178.8° |
| C28 | C27 | C26 | N6 | 171.8° | 124.0° |
| H43 | C27 | C28 | C31 | 152.6° | 130.5° |
| H43 | C27 | C28 | H44 | 88.6° | 110.4° |
| H43 | C27 | C28 | H45 | 33.7° | 11.3° |
| H43 | C27 | N5 | C21 | 43.6° | 61.6° |
| H43 | C27 | C26 | N6 | 66.3° | 3.4° |
| C31 | C28 | H44 | H45 | 123.3° | 121.7° |
| C28 | C31 | C29 | C30 | 123.1° | 118.7° |
| C28 | C31 | C29 | H51 | 115.2° | 118.8° |
| C28 | C31 | C29 | H46 | 87.4° | 100.5° |
| C28 | C31 | C29 | H47 | 150.6° | 139.0° |
| C28 | C31 | C30 | H51 | 122.1° | 122.5° |
| C28 | C31 | C30 | H48 | 180.0° | 60.0° |
| C28 | C31 | C30 | H49 | 60.0° | 180.0° |
| C28 | C31 | C30 | H50 | 60.0° | 60.0° |
| H44 | C28 | C31 | C29 | 161.7° | 137.2° |
| H44 | C28 | C31 | C30 | 75.6° | 104.1° |
| H44 | C28 | C31 | H51 | 46.5° | 18.4° |
| H45 | C28 | C31 | C29 | 76.0° | 101.1° |
| H45 | C28 | C31 | C30 | 46.7° | 17.6° |
| H45 | C28 | C31 | H51 | 168.8° | 140.1° |
| C31 | C29 | H46 | H47 | 122.9° | 120.5° |
| C29 | C31 | C30 | H51 | 121.6° | 122.5° |
| C29 | C31 | C30 | H48 | 63.7° | 55.1° |
| C29 | C31 | C30 | H49 | 176.3° | 65.0° |
| C29 | C31 | C30 | H50 | 56.3° | 175.0° |
| C31 | C29 | N5 | C21 | 175.2° | 167.0° |
| H46 | C29 | C31 | C30 | 35.7° | 18.2° |
| H46 | C29 | C31 | H51 | 157.4° | 140.6° |
| H46 | C29 | N5 | C21 | 65.8° | 73.2° |
| H47 | C29 | C31 | C30 | 86.3° | 102.3° |
| H47 | C29 | C31 | H51 | 35.4° | 20.2° |
| H47 | C29 | N5 | C21 | 56.2° | 47.3° |
| C31 | C30 | H48 | H49 | 120.0° | 120.0° |
| C31 | C30 | H48 | H50 | 120.0° | 120.0° |
| C31 | C30 | H49 | H50 | 120.0° | 120.0° |
| H48 | C30 | H49 | H50 | 120.0° | 120.0° |
| H48 | C30 | C31 | H51 | 57.9° | 177.5° |
| H49 | C30 | C31 | H51 | 62.1° | 57.5° |
| H50 | C30 | C31 | H51 | 177.9° | 62.5° |
| C32 | N6 | H52 | C26 | 180.0° | 179.9° |
| N6 | C32 | C33 | C34 | 123.1° | 119.7° |
| N6 | C32 | C33 | H53 | 119.6° | 119.8° |
| N6 | C32 | C34 | H53 | 121.6° | 120.4° |
| N6 | C32 | C33 | O8 | 41.5° | 19.1° |
| N6 | C32 | C34 | C35 | 58.5° | 56.2° |
| N6 | C32 | C34 | H54 | 62.2° | 176.3° |
| N6 | C32 | C34 | H55 | 179.2° | 63.8° |
| N6 | C32 | C33 | N7 | 139.9° | 160.9° |
| H52 | N6 | C32 | C33 | 107.6° | 13.7° |
| H52 | N6 | C32 | C34 | 12.4° | 133.4° |
| H52 | N6 | C32 | H53 | 133.4° | 106.1° |
| C33 | C32 | C34 | H53 | 117.2° | 120.4° |
| C32 | C33 | O8 | N7 | 178.6° | 179.9° |
| C33 | C32 | C34 | C35 | 179.7° | 63.0° |
| C33 | C32 | C34 | H54 | 59.1° | 57.0° |
| C33 | C32 | C34 | H55 | 59.6° | 177.0° |
| C32 | C33 | N7 | C38 | 0.9° | 13.3° |
| C32 | C33 | N7 | C39 | 179.8° | 166.7° |
| C33 | C32 | N6 | C26 | 72.4° | 166.3° |
| C34 | C32 | C33 | O8 | 81.7° | 138.9° |
| C32 | C34 | C35 | H54 | 120.7° | 120.0° |
| C32 | C34 | C35 | H55 | 120.7° | 120.0° |
| C32 | C34 | H54 | H55 | 117.9° | 120.0° |
| C32 | C34 | C35 | C36 | 169.7° | 68.1° |
| C32 | C34 | C35 | C37 | 46.7° | 172.0° |
| C32 | C34 | C35 | H56 | 73.4° | 51.9° |
| C34 | C32 | N6 | C26 | 167.6° | 46.6° |
| C34 | C32 | C33 | N7 | 97.0° | 41.2° |
| H53 | C32 | C33 | O8 | 161.1° | 100.7° |
| H53 | C32 | C34 | C35 | 63.1° | 176.6° |
| H53 | C32 | C34 | H54 | 176.2° | 63.3° |
| H53 | C32 | C34 | H55 | 57.6° | 56.6° |
| H53 | C32 | N6 | C26 | 46.6° | 73.9° |
| H53 | C32 | C33 | N7 | 20.3° | 79.3° |
| O8 | C33 | N7 | C38 | 179.5° | 166.8° |
| O8 | C33 | N7 | C39 | 1.2° | 13.2° |
| C35 | C34 | H54 | H55 | 117.9° | 120.0° |
| C34 | C35 | C36 | C37 | 125.6° | 120.0° |
| C34 | C35 | C36 | H56 | 117.0° | 120.0° |
| C34 | C35 | C37 | H56 | 120.1° | 120.1° |
| C34 | C35 | C36 | H57 | 180.0° | 66.1° |
| C34 | C35 | C36 | H58 | 60.0° | 174.0° |
| C34 | C35 | C36 | H59 | 60.0° | 53.9° |
| C34 | C35 | C37 | H60 | 180.0° | 60.0° |
| C34 | C35 | C37 | H61 | 60.0° | 180.0° |
| C34 | C35 | C37 | H62 | 60.0° | 59.9° |
| H54 | C34 | C35 | C36 | 69.6° | 52.0° |
| H54 | C34 | C35 | C37 | 167.4° | 68.0° |
| H54 | C34 | C35 | H56 | 47.2° | 171.9° |
| H55 | C34 | C35 | C36 | 49.1° | 171.9° |
| H55 | C34 | C35 | C37 | 74.0° | 52.0° |
| H55 | C34 | C35 | H56 | 165.9° | 68.1° |
| C36 | C35 | C37 | H56 | 117.1° | 120.0° |
| C35 | C36 | H57 | H58 | 120.0° | 120.0° |
| C35 | C36 | H57 | H59 | 120.0° | 120.0° |
| C35 | C36 | H58 | H59 | 120.0° | 120.0° |
| C36 | C35 | C37 | H60 | 57.2° | 180.0° |
| C36 | C35 | C37 | H61 | 62.8° | 60.0° |
| C36 | C35 | C37 | H62 | 177.2° | 60.0° |
| C37 | C35 | C36 | H57 | 54.4° | 53.9° |
| C37 | C35 | C36 | H58 | 174.4° | 66.0° |
| C37 | C35 | C36 | H59 | 65.6° | 174.0° |
| C35 | C37 | H60 | H61 | 120.0° | 120.0° |
| C35 | C37 | H60 | H62 | 120.0° | 120.0° |
| C35 | C37 | H61 | H62 | 120.0° | 120.0° |
| H56 | C35 | C36 | H57 | 63.0° | 173.9° |
| H56 | C35 | C36 | H58 | 57.0° | 54.0° |
| H56 | C35 | C36 | H59 | 177.0° | 66.0° |
| H56 | C35 | C37 | H60 | 59.9° | 60.0° |
| H56 | C35 | C37 | H61 | 179.9° | 60.0° |
| H56 | C35 | C37 | H62 | 60.1° | 180.0° |
| H57 | C36 | H58 | H59 | 120.0° | 120.0° |
| H60 | C37 | H61 | H62 | 120.0° | 120.0° |
| C38 | N7 | C39 | C33 | 179.4° | 180.0° |
| N7 | C38 | H63 | H64 | 120.0° | 120.0° |
| N7 | C38 | H63 | H65 | 120.0° | 119.9° |
| N7 | C38 | H64 | H65 | 120.0° | 120.0° |
| C38 | N7 | C39 | C40 | 60.3° | 51.9° |
| C38 | N7 | C39 | C43 | 66.8° | 68.0° |
| C38 | N7 | C39 | H66 | 177.9° | 172.0° |
| C39 | N7 | C38 | H63 | 180.0° | 123.4° |
| C39 | N7 | C38 | H64 | 60.0° | 3.4° |
| C39 | N7 | C38 | H65 | 60.0° | 116.7° |
| N7 | C39 | C40 | C43 | 122.7° | 119.6° |
| N7 | C39 | C40 | H66 | 117.8° | 120.2° |
| N7 | C39 | C43 | H66 | 115.4° | 120.0° |
| N7 | C39 | C40 | C41 | 179.5° | 80.3° |
| N7 | C39 | C40 | C42 | 57.5° | 39.7° |
| N7 | C39 | C40 | H67 | 61.5° | 159.8° |
| N7 | C39 | C43 | O9 | 74.7° | 56.0° |
| N7 | C39 | C43 | N8 | 107.0° | 124.0° |
| H63 | C38 | H64 | H65 | 120.0° | 120.0° |
| H63 | C38 | N7 | C33 | 0.6° | 56.6° |
| H64 | C38 | N7 | C33 | 120.7° | 176.6° |
| H65 | C38 | N7 | C33 | 119.4° | 63.3° |
| C40 | C39 | C43 | H66 | 119.4° | 120.2° |
| C39 | C40 | C41 | C42 | 121.5° | 120.0° |
| C39 | C40 | C41 | H67 | 118.9° | 119.9° |
| C39 | C40 | C42 | H67 | 118.9° | 120.0° |
| C39 | C40 | C41 | H68 | 180.0° | 55.0° |
| C39 | C40 | C41 | H69 | 60.0° | 175.0° |
| C39 | C40 | C41 | H70 | 60.0° | 64.9° |
| C39 | C40 | C42 | H71 | 180.0° | 55.0° |
| C39 | C40 | C42 | H72 | 60.0° | 174.9° |
| C39 | C40 | C42 | H73 | 60.0° | 65.1° |
| C40 | C39 | C43 | O9 | 50.6° | 175.9° |
| C40 | C39 | N7 | C33 | 119.0° | 128.1° |
| C40 | C39 | C43 | N8 | 127.7° | 4.1° |
| C43 | C39 | C40 | C41 | 57.8° | 160.1° |
| C43 | C39 | C40 | C42 | 179.8° | 79.9° |
| C43 | C39 | C40 | H67 | 61.2° | 40.1° |
| C39 | C43 | O9 | N8 | 178.3° | 180.0° |
| C39 | C43 | N8 | C45 | 0.6° | 178.8° |
| C39 | C43 | N8 | C48 | 175.1° | 1.0° |
| C43 | C39 | N7 | C33 | 113.8° | 112.0° |
| H66 | C39 | C40 | C41 | 61.7° | 39.9° |
| H66 | C39 | C40 | C42 | 60.4° | 159.9° |
| H66 | C39 | C40 | H67 | 179.3° | 80.1° |
| H66 | C39 | C43 | O9 | 169.9° | 63.9° |
| H66 | C39 | N7 | C33 | 1.4° | 8.0° |
| H66 | C39 | C43 | N8 | 8.3° | 116.0° |
| C41 | C40 | C42 | H67 | 119.8° | 120.0° |
| C40 | C41 | H68 | H69 | 120.0° | 120.0° |
| C40 | C41 | H68 | H70 | 120.0° | 120.0° |
| C40 | C41 | H69 | H70 | 120.0° | 120.0° |
| C41 | C40 | C42 | H71 | 58.6° | 175.0° |
| C41 | C40 | C42 | H72 | 61.3° | 65.0° |
| C41 | C40 | C42 | H73 | 178.6° | 55.0° |
| C42 | C40 | C41 | H68 | 58.5° | 65.0° |
| C42 | C40 | C41 | H69 | 178.6° | 55.0° |
| C42 | C40 | C41 | H70 | 61.5° | 175.1° |
| C40 | C42 | H71 | H72 | 120.0° | 119.9° |
| C40 | C42 | H71 | H73 | 120.0° | 120.0° |
| C40 | C42 | H72 | H73 | 120.0° | 120.0° |
| H67 | C40 | C41 | H68 | 61.1° | 175.0° |
| H67 | C40 | C41 | H69 | 58.9° | 65.0° |
| H67 | C40 | C41 | H70 | 178.9° | 55.0° |
| H67 | C40 | C42 | H71 | 61.1° | 65.0° |
| H67 | C40 | C42 | H72 | 178.9° | 55.0° |
| H67 | C40 | C42 | H73 | 58.9° | 175.0° |
| H68 | C41 | H69 | H70 | 120.0° | 120.0° |
| H71 | C42 | H72 | H73 | 120.0° | 120.1° |
| O9 | C43 | N8 | C45 | 178.9° | 1.2° |
| O9 | C43 | N8 | C48 | 3.2° | 178.9° |
| O10 | C44 | C45 | N9 | 176.6° | 179.9° |
| O10 | C44 | C45 | C46 | 101.1° | 94.3° |
| O10 | C44 | C45 | N8 | 11.7° | 25.0° |
| O10 | C44 | C45 | H74 | 138.3° | 144.7° |
| O10 | C44 | N9 | C55 | 170.4° | 135.1° |
| O10 | C44 | N9 | C56 | 13.8° | 44.9° |
| C44 | C45 | C46 | N8 | 122.8° | 121.1° |
| C44 | C45 | C46 | H74 | 120.8° | 120.8° |
| C44 | C45 | N8 | H74 | 126.2° | 119.7° |
| C44 | C45 | C46 | C47 | 81.1° | 141.8° |
| C44 | C45 | N8 | C48 | 89.8° | 143.9° |
| C44 | C45 | C46 | H75 | 37.5° | 23.0° |
| C44 | C45 | C46 | H76 | 160.4° | 99.4° |
| C45 | C44 | N9 | C55 | 13.0° | 44.8° |
| C45 | C44 | N9 | C56 | 162.8° | 135.2° |
| C44 | C45 | N8 | C43 | 94.2° | 36.0° |
| C46 | C45 | N8 | H74 | 115.4° | 118.5° |
| C45 | C46 | C47 | H75 | 118.5° | 118.8° |
| C45 | C46 | C47 | H76 | 118.6° | 118.8° |
| C45 | C46 | C47 | C48 | 41.7° | 11.9° |
| C45 | C46 | C47 | C49 | 165.8° | 107.3° |
| C46 | C45 | N8 | C48 | 28.6° | 22.1° |
| C45 | C46 | H75 | H76 | 124.1° | 122.3° |
| C45 | C46 | C47 | H77 | 72.8° | 131.2° |
| C46 | C45 | N8 | C43 | 147.4° | 157.8° |
| C46 | C45 | C44 | N9 | 75.4° | 85.6° |
| N8 | C45 | C46 | C47 | 41.8° | 20.7° |
| C45 | N8 | C48 | C47 | 3.0° | 14.2° |
| C45 | N8 | C48 | C43 | 176.3° | 179.9° |
| N8 | C45 | C46 | H75 | 160.3° | 98.1° |
| N8 | C45 | C46 | H76 | 76.8° | 139.6° |
| C45 | N8 | C48 | H78 | 115.9° | 133.9° |
| C45 | N8 | C48 | H79 | 121.9° | 105.4° |
| N8 | C45 | C44 | N9 | 171.7° | 155.0° |
| C46 | C47 | C48 | C49 | 126.8° | 119.2° |
| C46 | C47 | C48 | H77 | 114.5° | 119.2° |
| C46 | C47 | C49 | H77 | 121.4° | 121.5° |
| C46 | C47 | C48 | N8 | 24.6° | 0.9° |
| C46 | C47 | C49 | C50 | 58.3° | 60.0° |
| C46 | C47 | C49 | C54 | 177.0° | 180.0° |
| C47 | C46 | C45 | H74 | 158.1° | 97.4° |
| C47 | C46 | H75 | H76 | 124.1° | 122.4° |
| C46 | C47 | C48 | H78 | 143.5° | 120.5° |
| C46 | C47 | C48 | H79 | 94.3° | 118.7° |
| C46 | C47 | C49 | H80 | 59.2° | 60.0° |
| C48 | C47 | C49 | H77 | 118.8° | 121.5° |
| C47 | C48 | N8 | H78 | 118.9° | 119.6° |
| C47 | C48 | N8 | H79 | 118.9° | 119.6° |
| C48 | C47 | C49 | C50 | 178.1° | 177.0° |
| C48 | C47 | C49 | C54 | 57.2° | 63.0° |
| C48 | C47 | C46 | H75 | 160.2° | 106.9° |
| C48 | C47 | C46 | H76 | 76.9° | 130.7° |
| C47 | C48 | H78 | H79 | 123.2° | 120.8° |
| C48 | C47 | C49 | H80 | 60.7° | 56.9° |
| C47 | C48 | N8 | C43 | 173.3° | 165.7° |
| C49 | C47 | C48 | N8 | 151.5° | 120.1° |
| C47 | C49 | C50 | C54 | 125.2° | 120.0° |
| C47 | C49 | C50 | H80 | 117.3° | 120.1° |
| C47 | C49 | C54 | H80 | 117.7° | 120.0° |
| C47 | C49 | C50 | C51 | 178.9° | 180.0° |
| C47 | C49 | C54 | C53 | 179.4° | 180.0° |
| C49 | C47 | C46 | H75 | 75.6° | 133.8° |
| C49 | C47 | C46 | H76 | 47.3° | 11.4° |
| C49 | C47 | C48 | H78 | 89.6° | 120.3° |
| C49 | C47 | C48 | H79 | 32.6° | 0.5° |
| C47 | C49 | C50 | H81 | 60.8° | 60.0° |
| C47 | C49 | C50 | H82 | 58.7° | 60.0° |
| C47 | C49 | C54 | H83 | 59.2° | 60.0° |
| C47 | C49 | C54 | H84 | 60.3° | 60.0° |
| C48 | N8 | C45 | H74 | 144.0° | 96.4° |
| N8 | C48 | C47 | H77 | 89.8° | 118.4° |
| N8 | C48 | H78 | H79 | 123.1° | 120.8° |
| C50 | C49 | C54 | H80 | 117.5° | 120.0° |
| C49 | C50 | C51 | H81 | 120.3° | 120.0° |
| C49 | C50 | C51 | H82 | 120.2° | 120.0° |
| C49 | C50 | C51 | C52 | 55.9° | 60.0° |
| C50 | C49 | C54 | C53 | 55.8° | 60.0° |
| C50 | C49 | C47 | H77 | 63.1° | 61.5° |
| C49 | C50 | H81 | H82 | 119.3° | 120.0° |
| C50 | C49 | C54 | H83 | 176.1° | 179.9° |
| C50 | C49 | C54 | H84 | 64.4° | 60.0° |
| C49 | C50 | C51 | H85 | 176.0° | 180.0° |
| C49 | C50 | C51 | H86 | 64.3° | 60.0° |
| C54 | C49 | C50 | C51 | 55.9° | 60.0° |
| C49 | C54 | C53 | C52 | 55.7° | 60.0° |
| C49 | C54 | C53 | H83 | 120.3° | 120.0° |
| C49 | C54 | C53 | H84 | 120.2° | 120.0° |
| C54 | C49 | C47 | H77 | 61.6° | 58.5° |
| C54 | C49 | C50 | H81 | 64.4° | 60.0° |
| C54 | C49 | C50 | H82 | 176.1° | 180.0° |
| C49 | C54 | H83 | H84 | 119.3° | 120.1° |
| C49 | C54 | C53 | H89 | 175.9° | 180.0° |
| C49 | C54 | C53 | H90 | 64.4° | 60.0° |
| C50 | C51 | C52 | H85 | 120.2° | 120.0° |
| C50 | C51 | C52 | H86 | 120.2° | 120.1° |
| C50 | C51 | C52 | C53 | 56.3° | 60.0° |
| C51 | C50 | C49 | H80 | 61.6° | 60.0° |
| C51 | C50 | H81 | H82 | 119.3° | 120.1° |
| C50 | C51 | H85 | H86 | 119.4° | 120.0° |
| C50 | C51 | C52 | H87 | 64.0° | 60.0° |
| C50 | C51 | C52 | H88 | 176.7° | 179.9° |
| C51 | C52 | C53 | H87 | 120.3° | 120.0° |
| C51 | C52 | C53 | H88 | 120.4° | 120.0° |
| C51 | C52 | C53 | C54 | 56.3° | 60.0° |
| C52 | C51 | C50 | H81 | 64.4° | 60.0° |
| C52 | C51 | C50 | H82 | 176.1° | 180.0° |
| C52 | C51 | H85 | H86 | 119.4° | 120.0° |
| C51 | C52 | H87 | H88 | 119.0° | 120.0° |
| C51 | C52 | C53 | H89 | 176.5° | 180.0° |
| C51 | C52 | C53 | H90 | 63.9° | 60.0° |
| C52 | C53 | C54 | H89 | 120.2° | 120.0° |
| C52 | C53 | C54 | H90 | 120.2° | 120.0° |
| C52 | C53 | C54 | H83 | 176.0° | 180.0° |
| C52 | C53 | C54 | H84 | 64.5° | 60.0° |
| C53 | C52 | C51 | H85 | 176.5° | 180.0° |
| C53 | C52 | C51 | H86 | 63.9° | 60.0° |
| C53 | C52 | H87 | H88 | 119.0° | 120.0° |
| C52 | C53 | H89 | H90 | 119.4° | 120.1° |
| C53 | C54 | C49 | H80 | 61.7° | 60.0° |
| C53 | C54 | H83 | H84 | 119.3° | 119.9° |
| C54 | C53 | C52 | H87 | 64.1° | 60.0° |
| C54 | C53 | C52 | H88 | 176.6° | 180.0° |
| C54 | C53 | H89 | H90 | 119.4° | 119.9° |
| H74 | C45 | C46 | H75 | 83.3° | 143.8° |
| H74 | C45 | C46 | H76 | 39.6° | 21.4° |
| H74 | C45 | N8 | C43 | 32.0° | 83.7° |
| H74 | C45 | C44 | N9 | 45.1° | 35.4° |
| H75 | C46 | C47 | H77 | 45.7° | 12.4° |
| H76 | C46 | C47 | H77 | 168.6° | 110.0° |
| H77 | C47 | C48 | H78 | 29.1° | 1.3° |
| H77 | C47 | C48 | H79 | 151.3° | 122.0° |
| H77 | C47 | C49 | H80 | 179.5° | 178.5° |
| H78 | C48 | N8 | C43 | 67.8° | 46.0° |
| H79 | C48 | N8 | C43 | 54.4° | 74.7° |
| H80 | C49 | C50 | H81 | 178.1° | 180.0° |
| H80 | C49 | C50 | H82 | 58.6° | 60.1° |
| H80 | C49 | C54 | H83 | 58.6° | 60.0° |
| H80 | C49 | C54 | H84 | 178.1° | 180.0° |
| H81 | C50 | C51 | H85 | 55.8° | 60.0° |
| H81 | C50 | C51 | H86 | 175.4° | 180.0° |
| H82 | C50 | C51 | H85 | 63.8° | 60.0° |
| H82 | C50 | C51 | H86 | 55.9° | 60.0° |
| H83 | C54 | C53 | H89 | 63.8° | 60.0° |
| H83 | C54 | C53 | H90 | 55.8° | 60.0° |
| H84 | C54 | C53 | H89 | 55.7° | 60.0° |
| H84 | C54 | C53 | H90 | 175.3° | 180.0° |
| H85 | C51 | C52 | H87 | 56.1° | 60.0° |
| H85 | C51 | C52 | H88 | 63.2° | 59.9° |
| H86 | C51 | C52 | H87 | 175.8° | 180.0° |
| H86 | C51 | C52 | H88 | 56.5° | 60.0° |
| H87 | C52 | C53 | H89 | 56.1° | 60.0° |
| H87 | C52 | C53 | H90 | 175.7° | 179.9° |
| H88 | C52 | C53 | H89 | 63.2° | 60.0° |
| H88 | C52 | C53 | H90 | 56.4° | 60.1° |
| C55 | N9 | C56 | C44 | 176.0° | 180.0° |
| C55 | N9 | C56 | C57 | 68.7° | 78.0° |
| C55 | N9 | C56 | C58 | 55.1° | 161.9° |
| N9 | C55 | H91 | H92 | 120.0° | 120.0° |
| N9 | C55 | H91 | H93 | 120.0° | 120.0° |
| N9 | C55 | H92 | H93 | 120.0° | 120.0° |
| C55 | N9 | C56 | H94 | 173.1° | 42.0° |
| N9 | C56 | C57 | C58 | 125.7° | 120.1° |
| N9 | C56 | C57 | H94 | 118.7° | 120.1° |
| N9 | C56 | C58 | H94 | 118.4° | 119.9° |
| N9 | C56 | C57 | O11 | 153.1° | 5.0° |
| N9 | C56 | C58 | C59 | 53.6° | 81.5° |
| C56 | N9 | C55 | H91 | 180.0° | 180.0° |
| C56 | N9 | C55 | H92 | 60.0° | 60.0° |
| C56 | N9 | C55 | H93 | 60.0° | 60.0° |
| N9 | C56 | C58 | H95 | 174.4° | 158.5° |
| N9 | C56 | C58 | H96 | 67.2° | 38.6° |
| N9 | C56 | C57 | N10 | 26.4° | 175.0° |
| C57 | C56 | C58 | H94 | 115.6° | 119.8° |
| C56 | C57 | O11 | N10 | 179.5° | 180.0° |
| C57 | C56 | C58 | C59 | 179.5° | 158.2° |
| C57 | C56 | C58 | H95 | 59.7° | 38.3° |
| C57 | C56 | C58 | H96 | 58.7° | 81.7° |
| C56 | C57 | N10 | C62 | 178.8° | 179.4° |
| C56 | C57 | N10 | H104 | 1.2° | 0.6° |
| C57 | C56 | N9 | C44 | 115.3° | 102.0° |
| C58 | C56 | C57 | O11 | 27.4° | 125.1° |
| C56 | C58 | C59 | H95 | 120.8° | 120.0° |
| C56 | C58 | C59 | H96 | 120.8° | 120.0° |
| C56 | C58 | C59 | C60 | 55.6° | 46.7° |
| C56 | C58 | C59 | C61 | 179.0° | 73.3° |
| C56 | C58 | H95 | H96 | 117.5° | 120.0° |
| C56 | C58 | C59 | H97 | 64.6° | 166.7° |
| C58 | C56 | N9 | C44 | 120.9° | 18.1° |
| C58 | C56 | C57 | N10 | 152.1° | 54.9° |
| O11 | C57 | C56 | H94 | 88.2° | 115.1° |
| O11 | C57 | N10 | C62 | 0.7° | 0.6° |
| O11 | C57 | N10 | H104 | 179.3° | 179.4° |
| C58 | C59 | C60 | C61 | 121.6° | 120.0° |
| C58 | C59 | C60 | H97 | 119.9° | 119.9° |
| C58 | C59 | C61 | H97 | 116.5° | 120.0° |
| C59 | C58 | C56 | H94 | 64.8° | 38.4° |
| C59 | C58 | H95 | H96 | 117.5° | 120.1° |
| C58 | C59 | C60 | H98 | 180.0° | 180.0° |
| C58 | C59 | C60 | H99 | 60.0° | 60.0° |
| C58 | C59 | C60 | H100 | 60.0° | 60.1° |
| C58 | C59 | C61 | H101 | 180.0° | 43.9° |
| C58 | C59 | C61 | H102 | 60.0° | 163.9° |
| C58 | C59 | C61 | H103 | 60.0° | 76.2° |
| C60 | C59 | C61 | H97 | 118.8° | 120.0° |
| C60 | C59 | C58 | H95 | 65.2° | 166.7° |
| C60 | C59 | C58 | H96 | 176.4° | 73.3° |
| C59 | C60 | H98 | H99 | 120.0° | 120.0° |
| C59 | C60 | H98 | H100 | 120.0° | 120.0° |
| C59 | C60 | H99 | H100 | 120.0° | 120.0° |
| C60 | C59 | C61 | H101 | 55.3° | 163.9° |
| C60 | C59 | C61 | H102 | 64.7° | 76.1° |
| C60 | C59 | C61 | H103 | 175.3° | 43.9° |
| C61 | C59 | C58 | H95 | 58.2° | 46.7° |
| C61 | C59 | C58 | H96 | 60.2° | 166.7° |
| C61 | C59 | C60 | H98 | 58.4° | 60.0° |
| C61 | C59 | C60 | H99 | 178.4° | 180.0° |
| C61 | C59 | C60 | H100 | 61.6° | 60.0° |
| C59 | C61 | H101 | H102 | 120.0° | 120.0° |
| C59 | C61 | H101 | H103 | 120.0° | 120.0° |
| C59 | C61 | H102 | H103 | 120.0° | 120.0° |
| H91 | C55 | H92 | H93 | 120.0° | 120.0° |
| H91 | C55 | N9 | C44 | 4.1° | 0.0° |
| H92 | C55 | N9 | C44 | 115.9° | 120.0° |
| H93 | C55 | N9 | C44 | 124.1° | 120.0° |
| H94 | C56 | C58 | H95 | 56.0° | 81.6° |
| H94 | C56 | C58 | H96 | 174.4° | 158.5° |
| H94 | C56 | N9 | C44 | 3.0° | 137.9° |
| H94 | C56 | C57 | N10 | 92.3° | 65.0° |
| H95 | C58 | C59 | H97 | 174.7° | 73.4° |
| H96 | C58 | C59 | H97 | 56.3° | 46.7° |
| H97 | C59 | C60 | H98 | 60.1° | 60.0° |
| H97 | C59 | C60 | H99 | 59.9° | 60.0° |
| H97 | C59 | C60 | H100 | 179.9° | 180.0° |
| H97 | C59 | C61 | H101 | 63.5° | 76.1° |
| H97 | C59 | C61 | H102 | 176.5° | 43.9° |
| H97 | C59 | C61 | H103 | 56.5° | 163.9° |
| H98 | C60 | H99 | H100 | 120.0° | 120.0° |
| H101 | C61 | H102 | H103 | 120.0° | 120.0° |
| C62 | N10 | H104 | C57 | 180.0° | 180.0° |
| N10 | C62 | C63 | H105 | 120.3° | 119.8° |
| N10 | C62 | C63 | H106 | 120.3° | 119.8° |
| N10 | C62 | H105 | H106 | 119.1° | 120.4° |
| N10 | C62 | C63 | O12 | 29.7° | 123.2° |
| N10 | C62 | C63 | O5 | 150.5° | 56.8° |
| H104 | N10 | C62 | C63 | 119.5° | 17.5° |
| H104 | N10 | C62 | H105 | 0.8° | 102.3° |
| H104 | N10 | C62 | H106 | 120.2° | 137.3° |
| C63 | C62 | H105 | H106 | 119.1° | 120.3° |
| C62 | C63 | O12 | O5 | 179.7° | 180.0° |
| C63 | C62 | N10 | C57 | 60.5° | 162.5° |
| H105 | C62 | C63 | O12 | 90.6° | 3.4° |
| H105 | C62 | C63 | O5 | 89.1° | 176.6° |
| H105 | C62 | N10 | C57 | 179.2° | 77.7° |
| H106 | C62 | C63 | O12 | 150.0° | 117.0° |
| H106 | C62 | C63 | O5 | 30.2° | 63.0° |
| H106 | C62 | N10 | C57 | 59.8° | 42.8° |
