PRD_002467
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.49Å | 1.45Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| N1 | C5 | sing | 1.47Å | 1.45Å | |
| N1 | C6 | sing | 1.46Å | 1.48Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | C10 | sing | 1.51Å | 1.53Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.23Å | |
| C12 | N2 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.54Å | 1.53Å | |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| N2 | C15 | sing | 1.47Å | 1.47Å | |
| C13 | C14 | sing | 1.55Å | 1.54Å | |
| C15 | C14 | sing | 1.55Å | 1.53Å | |
| C11 | O4 | doub | 1.21Å | 1.23Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | N3 | sing | 1.46Å | 1.45Å | |
| N3 | C19 | sing | 1.47Å | 1.46Å | |
| O5 | C18 | doub | 1.21Å | 1.23Å | |
| O6 | C20 | sing | 1.45Å | 1.46Å | |
| C19 | C18 | sing | 1.51Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| N4 | C23 | sing | 1.47Å | 1.45Å | |
| N4 | H36 | sing | 0.98Å | 1.00Å | |
| C23 | C24 | sing | 1.50Å | 1.53Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | H37 | sing | 1.10Å | 1.10Å | |
| C24 | O7 | doub | 1.21Å | 1.23Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | C28 | sing | 1.53Å | 1.52Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C28 | H45 | sing | 1.09Å | 1.10Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | O8 | doub | 1.21Å | 1.23Å | |
| C29 | C30 | sing | 1.51Å | 1.53Å | |
| N5 | C30 | sing | 1.46Å | 1.47Å | |
| N5 | C32 | sing | 1.46Å | 1.47Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H47 | sing | 1.09Å | 1.10Å | |
| C31 | C34 | sing | 1.53Å | 1.54Å | |
| C31 | H48 | sing | 1.09Å | 1.10Å | |
| C31 | H49 | sing | 1.09Å | 1.10Å | |
| C32 | C34 | sing | 1.54Å | 1.53Å | |
| C32 | H50 | sing | 1.09Å | 1.10Å | |
| C32 | H51 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | H52 | sing | 1.09Å | 1.10Å | |
| C33 | H53 | sing | 1.09Å | 1.10Å | |
| C33 | H54 | sing | 1.09Å | 1.10Å | |
| C34 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | O9 | doub | 1.20Å | 1.23Å | |
| C36 | C35 | sing | 1.51Å | 1.53Å | |
| C35 | C37 | sing | 1.53Å | 1.53Å | |
| C35 | N6 | sing | 1.48Å | 1.45Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C39 | C41 | sing | 1.53Å | 1.52Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| N6 | H56 | sing | 0.98Å | 1.00Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| C37 | H58 | sing | 1.09Å | 1.10Å | |
| C37 | H59 | sing | 1.09Å | 1.10Å | |
| C38 | H60 | sing | 1.09Å | 1.10Å | |
| C38 | H61 | sing | 1.09Å | 1.10Å | |
| C39 | H62 | sing | 1.09Å | 1.10Å | |
| C40 | H63 | sing | 1.09Å | 1.10Å | |
| C40 | H64 | sing | 1.09Å | 1.10Å | |
| C40 | H65 | sing | 1.09Å | 1.10Å | |
| C41 | H66 | sing | 1.09Å | 1.10Å | |
| C41 | H67 | sing | 1.09Å | 1.10Å | |
| C41 | H68 | sing | 1.09Å | 1.10Å | |
| N7 | C42 | sing | 1.46Å | 1.47Å | |
| N7 | C43 | sing | 1.48Å | 1.49Å | |
| C42 | H69 | sing | 1.09Å | 1.10Å | |
| C42 | H70 | sing | 1.09Å | 1.10Å | |
| C42 | H71 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.52Å | 1.54Å | |
| C43 | C47 | sing | 1.49Å | 1.53Å | |
| C43 | H72 | sing | 1.11Å | 1.10Å | |
| C44 | C45 | sing | 1.53Å | 1.52Å | |
| C44 | C46 | sing | 1.53Å | 1.52Å | |
| C44 | H73 | sing | 1.09Å | 1.10Å | |
| C45 | H74 | sing | 1.09Å | 1.10Å | |
| C45 | H75 | sing | 1.09Å | 1.10Å | |
| C45 | H76 | sing | 1.09Å | 1.10Å | |
| C46 | H77 | sing | 1.09Å | 1.10Å | |
| C46 | H78 | sing | 1.09Å | 1.10Å | |
| C46 | H79 | sing | 1.09Å | 1.10Å | |
| C47 | O10 | doub | 1.23Å | 1.23Å | |
| N8 | C48 | sing | 1.48Å | 1.46Å | |
| N8 | C52 | sing | 1.46Å | 1.47Å | |
| C48 | C49 | sing | 1.50Å | 1.52Å | |
| C48 | C50 | sing | 1.53Å | 1.53Å | |
| C48 | H80 | sing | 1.09Å | 1.10Å | |
| C49 | O11 | doub | 1.22Å | 1.23Å | |
| C50 | C51 | sing | 1.54Å | 1.51Å | |
| C50 | H81 | sing | 1.09Å | 1.10Å | |
| C50 | H82 | sing | 1.09Å | 1.10Å | |
| C51 | C52 | sing | 1.54Å | 1.52Å | |
| C51 | H83 | sing | 1.09Å | 1.10Å | |
| C51 | H84 | sing | 1.09Å | 1.10Å | |
| C52 | H85 | sing | 1.09Å | 1.10Å | |
| C52 | H86 | sing | 1.09Å | 1.10Å | |
| N9 | C53 | sing | 1.47Å | 1.45Å | |
| N9 | C54 | sing | 1.48Å | 1.46Å | |
| C54 | C55 | sing | 1.50Å | 1.53Å | |
| C54 | C56 | sing | 1.53Å | 1.53Å | |
| C55 | O12 | doub | 1.21Å | 1.23Å | |
| C56 | C57 | sing | 1.53Å | 1.53Å | |
| C57 | C58 | sing | 1.53Å | 1.52Å | |
| C57 | C59 | sing | 1.53Å | 1.52Å | |
| C53 | H87 | sing | 1.09Å | 1.10Å | |
| C53 | H88 | sing | 1.09Å | 1.10Å | |
| C53 | H89 | sing | 1.09Å | 1.10Å | |
| C54 | H90 | sing | 1.10Å | 1.10Å | |
| C56 | H91 | sing | 1.09Å | 1.10Å | |
| C56 | H92 | sing | 1.09Å | 1.10Å | |
| C57 | H93 | sing | 1.09Å | 1.10Å | |
| C58 | 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 | |
| C59 | H98 | sing | 1.09Å | 1.10Å | |
| C59 | H99 | sing | 1.09Å | 1.10Å | |
| N10 | C60 | sing | 1.48Å | 1.45Å | |
| N10 | H100 | sing | 0.97Å | 1.00Å | |
| C60 | C61 | sing | 1.51Å | 1.50Å | |
| C60 | H101 | sing | 1.09Å | 1.10Å | |
| C60 | H102 | sing | 1.09Å | 1.10Å | |
| C61 | O13 | doub | 1.21Å | 1.20Å | |
| C4 | N1 | sing | 1.35Å | 1.36Å | |
| C10 | N2 | sing | 1.35Å | 1.34Å | |
| C11 | N3 | sing | 1.35Å | 1.35Å | |
| C18 | N4 | sing | 1.36Å | 1.34Å | |
| O6 | C61 | sing | 1.34Å | 1.34Å | |
| C24 | N5 | sing | 1.35Å | 1.34Å | |
| C29 | N6 | sing | 1.37Å | 1.34Å | |
| C36 | N7 | sing | 1.36Å | 1.35Å | |
| C47 | N8 | sing | 1.34Å | 1.34Å | |
| C49 | N9 | sing | 1.37Å | 1.35Å | |
| C55 | N10 | sing | 1.37Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | C3 | 112.8° | 109.5° |
| C1 | C2 | H4 | 108.6° | 109.5° |
| C1 | C2 | H5 | 108.6° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| C3 | C2 | H4 | 108.6° | 109.4° |
| C3 | C2 | H5 | 108.6° | 109.5° |
| C2 | C3 | O1 | 117.9° | 120.0° |
| C2 | C3 | C4 | 122.7° | 120.0° |
| H4 | C2 | H5 | 109.5° | 109.4° |
| O1 | C3 | C4 | 119.4° | 120.0° |
| C3 | C4 | O2 | 117.6° | 120.0° |
| C3 | C4 | N1 | 121.6° | 120.0° |
| O2 | C4 | N1 | 120.8° | 120.0° |
| C5 | N1 | C6 | 116.7° | 120.0° |
| N1 | C5 | H6 | 109.5° | 109.4° |
| N1 | C5 | H7 | 109.4° | 109.4° |
| N1 | C5 | H8 | 109.5° | 109.5° |
| C5 | N1 | C4 | 121.4° | 120.0° |
| N1 | C6 | C7 | 111.5° | 109.5° |
| N1 | C6 | C10 | 111.3° | 109.5° |
| N1 | C6 | H9 | 108.2° | 109.4° |
| C6 | N1 | C4 | 122.0° | 120.0° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H6 | C5 | H8 | 109.5° | 109.6° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| C7 | C6 | C10 | 110.4° | 109.4° |
| C7 | C6 | H9 | 107.6° | 109.5° |
| C6 | C7 | C8 | 111.3° | 109.5° |
| C6 | C7 | C9 | 111.2° | 109.5° |
| C6 | C7 | H10 | 107.7° | 109.5° |
| C10 | C6 | H9 | 107.7° | 109.4° |
| C6 | C10 | O3 | 121.2° | 120.0° |
| C6 | C10 | N2 | 117.7° | 120.0° |
| C8 | C7 | C9 | 110.5° | 109.4° |
| C8 | C7 | H10 | 108.0° | 109.5° |
| C7 | C8 | H11 | 109.5° | 109.4° |
| C7 | C8 | H12 | 109.5° | 109.4° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C9 | C7 | H10 | 108.0° | 109.4° |
| C7 | C9 | H14 | 109.5° | 109.5° |
| C7 | C9 | H15 | 109.5° | 109.5° |
| C7 | C9 | H16 | 109.5° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| H11 | C8 | H13 | 109.4° | 109.6° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| H14 | C9 | H16 | 109.4° | 109.4° |
| H15 | C9 | H16 | 109.4° | 109.5° |
| O3 | C10 | N2 | 121.0° | 120.0° |
| N2 | C12 | C13 | 103.2° | 107.3° |
| N2 | C12 | C11 | 110.1° | 109.9° |
| C12 | N2 | C15 | 112.7° | 108.7° |
| N2 | C12 | H17 | 110.7° | 109.8° |
| C12 | N2 | C10 | 119.8° | 125.7° |
| C13 | C12 | C11 | 113.1° | 109.9° |
| C12 | C13 | C14 | 104.5° | 102.9° |
| C13 | C12 | H17 | 109.8° | 109.9° |
| C12 | C13 | H18 | 110.7° | 110.7° |
| C12 | C13 | H19 | 110.7° | 110.7° |
| C12 | C11 | O4 | 121.2° | 120.0° |
| C11 | C12 | H17 | 109.8° | 110.0° |
| C12 | C11 | N3 | 117.0° | 120.0° |
| N2 | C15 | C14 | 102.5° | 104.9° |
| N2 | C15 | H21 | 111.2° | 110.4° |
| N2 | C15 | H22 | 111.2° | 110.4° |
| C15 | N2 | C10 | 127.5° | 125.7° |
| C13 | C14 | C15 | 102.4° | 101.6° |
| C13 | C14 | C16 | 114.0° | 111.0° |
| C14 | C13 | H18 | 110.7° | 110.7° |
| C14 | C13 | H19 | 110.7° | 110.7° |
| C13 | C14 | H20 | 108.2° | 111.0° |
| C15 | C14 | C16 | 115.5° | 111.0° |
| C15 | C14 | H20 | 108.3° | 111.1° |
| C14 | C15 | H21 | 111.2° | 110.4° |
| C14 | C15 | H22 | 111.2° | 110.4° |
| O4 | C11 | N3 | 121.8° | 120.0° |
| C14 | C16 | C17 | 114.1° | 109.4° |
| C16 | C14 | H20 | 108.2° | 110.9° |
| C14 | C16 | H23 | 108.3° | 109.5° |
| C14 | C16 | H24 | 108.3° | 109.4° |
| C17 | C16 | H23 | 108.3° | 109.5° |
| C17 | C16 | H24 | 108.3° | 109.4° |
| C16 | C17 | H25 | 109.5° | 109.5° |
| C16 | C17 | H26 | 109.4° | 109.5° |
| C16 | C17 | H27 | 109.5° | 109.5° |
| H18 | C13 | H19 | 109.5° | 110.8° |
| H21 | C15 | H22 | 109.5° | 110.4° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H25 | C17 | H26 | 109.5° | 109.4° |
| H25 | C17 | H27 | 109.4° | 109.4° |
| H26 | C17 | H27 | 109.5° | 109.5° |
| C22 | N3 | C19 | 117.4° | 120.0° |
| N3 | C22 | H33 | 109.5° | 109.5° |
| N3 | C22 | H34 | 109.5° | 109.5° |
| N3 | C22 | H35 | 109.5° | 109.5° |
| C22 | N3 | C11 | 123.0° | 120.0° |
| N3 | C19 | C18 | 112.7° | 109.4° |
| N3 | C19 | C20 | 111.9° | 109.3° |
| N3 | C19 | H28 | 108.3° | 109.8° |
| C19 | N3 | C11 | 119.5° | 120.0° |
| O5 | C18 | C19 | 120.5° | 118.9° |
| O5 | C18 | N4 | 123.2° | 122.9° |
| O6 | C20 | C19 | 108.8° | 109.5° |
| O6 | C20 | C21 | 107.9° | 109.4° |
| O6 | C20 | H29 | 109.9° | 109.7° |
| C20 | O6 | C61 | 118.3° | 118.0° |
| C18 | C19 | C20 | 109.1° | 109.2° |
| C18 | C19 | H28 | 107.4° | 109.4° |
| C19 | C18 | N4 | 116.3° | 118.2° |
| C20 | C19 | H28 | 107.3° | 109.8° |
| C19 | C20 | C21 | 112.2° | 109.2° |
| C19 | C20 | H29 | 108.8° | 109.4° |
| C21 | C20 | H29 | 109.2° | 109.7° |
| C20 | C21 | H30 | 109.5° | 109.5° |
| C20 | C21 | H31 | 109.4° | 109.4° |
| C20 | C21 | H32 | 109.5° | 109.5° |
| H30 | C21 | H31 | 109.5° | 109.5° |
| H30 | C21 | H32 | 109.5° | 109.5° |
| H31 | C21 | H32 | 109.5° | 109.5° |
| H33 | C22 | H34 | 109.4° | 109.4° |
| H33 | C22 | H35 | 109.5° | 109.4° |
| H34 | C22 | H35 | 109.5° | 109.5° |
| C23 | N4 | H36 | 119.1° | 121.0° |
| N4 | C23 | C24 | 106.4° | 110.0° |
| N4 | C23 | C25 | 111.2° | 110.4° |
| N4 | C23 | H37 | 109.6° | 109.2° |
| C23 | N4 | C18 | 121.9° | 119.0° |
| H36 | N4 | C18 | 119.0° | 120.0° |
| C24 | C23 | C25 | 112.6° | 110.6° |
| C24 | C23 | H37 | 108.6° | 108.8° |
| C23 | C24 | O7 | 120.5° | 120.7° |
| C23 | C24 | N5 | 118.3° | 121.0° |
| C25 | C23 | H37 | 108.5° | 107.9° |
| C23 | C25 | C26 | 115.2° | 109.4° |
| C23 | C25 | H38 | 108.0° | 109.4° |
| C23 | C25 | H39 | 108.0° | 109.5° |
| O7 | C24 | N5 | 121.1° | 118.4° |
| C26 | C25 | H38 | 108.0° | 109.5° |
| C26 | C25 | H39 | 108.0° | 109.5° |
| C25 | C26 | C27 | 111.4° | 109.4° |
| C25 | C26 | C28 | 110.8° | 109.5° |
| C25 | C26 | H40 | 108.1° | 109.5° |
| H38 | C25 | H39 | 109.5° | 109.5° |
| C27 | C26 | C28 | 110.1° | 109.5° |
| C27 | C26 | H40 | 108.2° | 109.4° |
| C26 | C27 | H41 | 109.5° | 109.4° |
| C26 | C27 | H42 | 109.5° | 109.4° |
| C26 | C27 | H43 | 109.5° | 109.5° |
| C28 | C26 | H40 | 108.1° | 109.5° |
| C26 | C28 | H44 | 109.5° | 109.5° |
| C26 | C28 | H45 | 109.4° | 109.5° |
| C26 | C28 | H46 | 109.4° | 109.5° |
| H41 | C27 | H42 | 109.5° | 109.5° |
| H41 | C27 | H43 | 109.4° | 109.5° |
| H42 | C27 | H43 | 109.5° | 109.5° |
| H44 | C28 | H45 | 109.4° | 109.5° |
| H44 | C28 | H46 | 109.5° | 109.5° |
| H45 | C28 | H46 | 109.5° | 109.5° |
| O8 | C29 | C30 | 120.4° | 119.2° |
| O8 | C29 | N6 | 122.8° | 123.0° |
| C29 | C30 | N5 | 112.8° | 110.4° |
| C29 | C30 | C31 | 111.4° | 109.3° |
| C29 | C30 | H47 | 109.9° | 109.8° |
| C30 | C29 | N6 | 116.7° | 117.8° |
| C30 | N5 | C32 | 112.3° | 108.7° |
| N5 | C30 | C31 | 101.8° | 107.9° |
| N5 | C30 | H47 | 110.8° | 109.4° |
| C30 | N5 | C24 | 120.6° | 125.6° |
| N5 | C32 | C34 | 103.0° | 107.7° |
| N5 | C32 | H50 | 111.1° | 108.9° |
| N5 | C32 | H51 | 111.1° | 110.5° |
| C32 | N5 | C24 | 127.1° | 125.7° |
| C31 | C30 | H47 | 109.8° | 110.1° |
| C30 | C31 | C34 | 102.0° | 106.4° |
| C30 | C31 | H48 | 111.3° | 110.0° |
| C30 | C31 | H49 | 111.3° | 110.1° |
| C34 | C31 | H48 | 111.3° | 109.9° |
| C34 | C31 | H49 | 111.3° | 110.4° |
| C31 | C34 | C32 | 102.3° | 105.6° |
| C31 | C34 | C33 | 115.5° | 110.4° |
| C31 | C34 | H55 | 108.2° | 110.0° |
| H48 | C31 | H49 | 109.4° | 110.1° |
| C34 | C32 | H50 | 111.1° | 109.5° |
| C34 | C32 | H51 | 111.1° | 110.0° |
| C32 | C34 | C33 | 113.7° | 110.0° |
| C32 | C34 | H55 | 108.3° | 110.0° |
| H50 | C32 | H51 | 109.4° | 110.2° |
| C34 | C33 | H52 | 109.5° | 109.5° |
| C34 | C33 | H53 | 109.5° | 109.5° |
| C34 | C33 | H54 | 109.5° | 109.5° |
| C33 | C34 | H55 | 108.5° | 110.7° |
| H52 | C33 | H53 | 109.5° | 109.4° |
| H52 | C33 | H54 | 109.4° | 109.4° |
| H53 | C33 | H54 | 109.5° | 109.5° |
| O9 | C36 | C35 | 119.7° | 119.0° |
| O9 | C36 | N7 | 122.5° | 122.0° |
| C36 | C35 | C37 | 110.3° | 109.9° |
| C36 | C35 | N6 | 107.5° | 110.7° |
| C36 | C35 | H57 | 108.4° | 108.6° |
| C35 | C36 | N7 | 117.8° | 119.0° |
| C37 | C35 | N6 | 112.7° | 110.2° |
| C35 | C37 | C38 | 114.8° | 109.5° |
| C37 | C35 | H57 | 108.5° | 108.8° |
| C35 | C37 | H58 | 108.1° | 109.5° |
| C35 | C37 | H59 | 108.1° | 109.5° |
| C35 | N6 | H56 | 119.1° | 121.0° |
| N6 | C35 | H57 | 109.4° | 108.7° |
| C35 | N6 | C29 | 121.8° | 117.7° |
| C37 | C38 | C39 | 116.7° | 109.5° |
| C38 | C37 | H58 | 108.1° | 109.5° |
| C38 | C37 | H59 | 108.1° | 109.4° |
| C37 | C38 | H60 | 107.6° | 109.5° |
| C37 | C38 | H61 | 107.7° | 109.4° |
| C38 | C39 | C41 | 111.5° | 109.5° |
| C38 | C39 | C40 | 111.1° | 109.5° |
| C39 | C38 | H60 | 107.6° | 109.5° |
| C39 | C38 | H61 | 107.6° | 109.5° |
| C38 | C39 | H62 | 107.9° | 109.5° |
| C41 | C39 | C40 | 110.3° | 109.4° |
| C41 | C39 | H62 | 108.0° | 109.5° |
| C39 | C41 | H66 | 109.5° | 109.5° |
| C39 | C41 | H67 | 109.5° | 109.5° |
| C39 | C41 | H68 | 109.4° | 109.5° |
| C40 | C39 | H62 | 108.0° | 109.5° |
| C39 | C40 | H63 | 109.5° | 109.5° |
| C39 | C40 | H64 | 109.5° | 109.5° |
| C39 | C40 | H65 | 109.5° | 109.4° |
| H56 | N6 | C29 | 119.1° | 121.3° |
| H58 | C37 | H59 | 109.5° | 109.5° |
| H60 | C38 | H61 | 109.5° | 109.5° |
| H63 | C40 | H64 | 109.4° | 109.5° |
| H63 | C40 | H65 | 109.5° | 109.5° |
| H64 | C40 | H65 | 109.5° | 109.4° |
| H66 | C41 | H67 | 109.4° | 109.5° |
| H66 | C41 | H68 | 109.5° | 109.4° |
| H67 | C41 | H68 | 109.5° | 109.5° |
| C42 | N7 | C43 | 114.0° | 121.7° |
| N7 | C42 | H69 | 109.5° | 109.5° |
| N7 | C42 | H70 | 109.5° | 109.4° |
| N7 | C42 | H71 | 109.5° | 109.5° |
| C42 | N7 | C36 | 124.6° | 123.3° |
| N7 | C43 | C44 | 110.3° | 110.8° |
| N7 | C43 | C47 | 112.4° | 110.7° |
| N7 | C43 | H72 | 108.3° | 107.0° |
| C43 | N7 | C36 | 119.3° | 115.0° |
| H69 | C42 | H70 | 109.4° | 109.5° |
| H69 | C42 | H71 | 109.5° | 109.5° |
| H70 | C42 | H71 | 109.5° | 109.4° |
| C44 | C43 | C47 | 110.2° | 112.6° |
| C44 | C43 | H72 | 107.6° | 107.8° |
| C43 | C44 | C45 | 111.8° | 109.5° |
| C43 | C44 | C46 | 111.3° | 109.5° |
| C43 | C44 | H73 | 107.6° | 109.5° |
| C47 | C43 | H72 | 107.8° | 107.6° |
| C43 | C47 | O10 | 120.7° | 116.9° |
| C43 | C47 | N8 | 118.7° | 127.1° |
| C45 | C44 | C46 | 110.3° | 109.4° |
| C45 | C44 | H73 | 107.8° | 109.4° |
| C44 | C45 | H74 | 109.5° | 109.5° |
| C44 | C45 | H75 | 109.4° | 109.5° |
| C44 | C45 | H76 | 109.4° | 109.4° |
| C46 | C44 | H73 | 107.9° | 109.5° |
| C44 | C46 | H77 | 109.5° | 109.4° |
| C44 | C46 | H78 | 109.5° | 109.5° |
| C44 | C46 | H79 | 109.4° | 109.5° |
| H74 | C45 | H75 | 109.5° | 109.5° |
| H74 | C45 | H76 | 109.5° | 109.4° |
| H75 | C45 | H76 | 109.5° | 109.5° |
| H77 | C46 | H78 | 109.4° | 109.5° |
| H77 | C46 | H79 | 109.5° | 109.5° |
| H78 | C46 | H79 | 109.5° | 109.5° |
| O10 | C47 | N8 | 120.6° | 116.1° |
| C48 | N8 | C52 | 111.3° | 108.0° |
| N8 | C48 | C49 | 112.9° | 109.9° |
| N8 | C48 | C50 | 99.5° | 107.5° |
| N8 | C48 | H80 | 111.6° | 108.2° |
| C48 | N8 | C47 | 124.0° | 123.3° |
| N8 | C52 | C51 | 103.0° | 108.5° |
| N8 | C52 | H85 | 111.0° | 109.5° |
| N8 | C52 | H86 | 111.1° | 110.7° |
| C52 | N8 | C47 | 124.7° | 128.6° |
| C49 | C48 | C50 | 111.0° | 111.3° |
| C49 | C48 | H80 | 110.7° | 110.5° |
| C48 | C49 | O11 | 121.2° | 119.1° |
| C48 | C49 | N9 | 116.5° | 119.6° |
| C50 | C48 | H80 | 110.6° | 109.3° |
| C48 | C50 | C51 | 101.1° | 103.8° |
| C48 | C50 | H81 | 111.5° | 110.6° |
| C48 | C50 | H82 | 111.5° | 110.7° |
| O11 | C49 | N9 | 122.2° | 121.3° |
| C51 | C50 | H81 | 111.5° | 110.6° |
| C51 | C50 | H82 | 111.5° | 110.3° |
| C50 | C51 | C52 | 103.2° | 105.3° |
| C50 | C51 | H83 | 111.0° | 110.3° |
| C50 | C51 | H84 | 111.0° | 110.2° |
| H81 | C50 | H82 | 109.5° | 110.8° |
| C52 | C51 | H83 | 111.0° | 110.1° |
| C52 | C51 | H84 | 111.0° | 109.9° |
| C51 | C52 | H85 | 111.0° | 108.9° |
| C51 | C52 | H86 | 111.0° | 109.2° |
| H83 | C51 | H84 | 109.4° | 110.8° |
| H85 | C52 | H86 | 109.5° | 110.0° |
| C53 | N9 | C54 | 116.7° | 121.6° |
| N9 | C53 | H87 | 109.5° | 109.5° |
| N9 | C53 | H88 | 109.5° | 109.5° |
| N9 | C53 | H89 | 109.5° | 109.5° |
| C53 | N9 | C49 | 121.8° | 123.3° |
| N9 | C54 | C55 | 111.8° | 112.3° |
| N9 | C54 | C56 | 111.2° | 110.8° |
| N9 | C54 | H90 | 108.7° | 107.6° |
| C54 | N9 | C49 | 121.5° | 115.0° |
| C55 | C54 | C56 | 109.2° | 110.4° |
| C54 | C55 | O12 | 120.4° | 122.0° |
| C55 | C54 | H90 | 107.9° | 107.7° |
| C54 | C55 | N10 | 116.8° | 116.6° |
| C54 | C56 | C57 | 115.5° | 109.5° |
| C56 | C54 | H90 | 107.9° | 108.0° |
| C54 | C56 | H91 | 107.9° | 109.5° |
| C54 | C56 | H92 | 107.9° | 109.5° |
| O12 | C55 | N10 | 122.7° | 121.4° |
| C56 | C57 | C58 | 110.6° | 109.5° |
| C56 | C57 | C59 | 111.2° | 109.5° |
| C57 | C56 | H91 | 107.9° | 109.5° |
| C57 | C56 | H92 | 107.9° | 109.5° |
| C56 | C57 | H93 | 108.1° | 109.5° |
| C58 | C57 | C59 | 110.4° | 109.5° |
| C58 | C57 | H93 | 108.2° | 109.4° |
| C57 | C58 | H94 | 109.5° | 109.5° |
| C57 | C58 | H95 | 109.5° | 109.5° |
| C57 | C58 | H96 | 109.5° | 109.5° |
| C59 | C57 | H93 | 108.2° | 109.5° |
| C57 | C59 | H97 | 109.5° | 109.4° |
| C57 | C59 | H98 | 109.5° | 109.4° |
| C57 | C59 | H99 | 109.5° | 109.5° |
| H87 | C53 | H88 | 109.4° | 109.5° |
| H87 | C53 | H89 | 109.5° | 109.5° |
| H88 | C53 | H89 | 109.5° | 109.5° |
| H91 | C56 | H92 | 109.5° | 109.5° |
| H94 | C58 | H95 | 109.4° | 109.4° |
| H94 | C58 | H96 | 109.5° | 109.5° |
| H95 | C58 | H96 | 109.4° | 109.5° |
| H97 | C59 | H98 | 109.4° | 109.5° |
| H97 | C59 | H99 | 109.5° | 109.5° |
| H98 | C59 | H99 | 109.4° | 109.5° |
| C60 | N10 | H100 | 119.8° | 121.9° |
| N10 | C60 | C61 | 113.0° | 108.8° |
| N10 | C60 | H101 | 108.6° | 109.6° |
| N10 | C60 | H102 | 108.6° | 110.0° |
| C60 | N10 | C55 | 120.3° | 116.6° |
| H100 | N10 | C55 | 119.9° | 121.5° |
| C61 | C60 | H101 | 108.6° | 109.3° |
| C61 | C60 | H102 | 108.6° | 109.5° |
| C60 | C61 | O13 | 125.5° | 119.6° |
| C60 | C61 | O6 | 110.3° | 120.0° |
| H101 | C60 | H102 | 109.5° | 109.6° |
| O13 | C61 | O6 | 124.2° | 120.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 120.5° | 120.0° |
| C1 | C2 | C3 | H5 | 120.5° | 120.1° |
| C1 | C2 | H4 | H5 | 118.5° | 120.0° |
| C1 | C2 | C3 | O1 | 55.7° | 0.1° |
| C1 | C2 | C3 | C4 | 125.4° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | C3 | 180.0° | 60.0° |
| H1 | C1 | C2 | H4 | 59.5° | 180.0° |
| H1 | C1 | C2 | H5 | 59.5° | 60.1° |
| H2 | C1 | C2 | C3 | 60.0° | 180.0° |
| H2 | C1 | C2 | H4 | 60.5° | 60.0° |
| H2 | C1 | C2 | H5 | 179.5° | 59.9° |
| H3 | C1 | C2 | C3 | 60.0° | 59.9° |
| H3 | C1 | C2 | H4 | 179.5° | 60.0° |
| H3 | C1 | C2 | H5 | 60.5° | 180.0° |
| C3 | C2 | H4 | H5 | 118.5° | 120.0° |
| C2 | C3 | O1 | C4 | 178.9° | 179.9° |
| C2 | C3 | C4 | O2 | 47.8° | 3.1° |
| C2 | C3 | C4 | N1 | 132.8° | 176.9° |
| H4 | C2 | C3 | O1 | 64.8° | 120.1° |
| H4 | C2 | C3 | C4 | 114.1° | 60.0° |
| H5 | C2 | C3 | O1 | 176.2° | 120.0° |
| H5 | C2 | C3 | C4 | 4.9° | 59.9° |
| O1 | C3 | C4 | O2 | 131.0° | 177.0° |
| O1 | C3 | C4 | N1 | 48.3° | 3.0° |
| C3 | C4 | O2 | N1 | 179.3° | 180.0° |
| C3 | C4 | N1 | C5 | 15.4° | 5.7° |
| C3 | C4 | N1 | C6 | 166.0° | 174.3° |
| O2 | C4 | N1 | C5 | 165.3° | 174.2° |
| O2 | C4 | N1 | C6 | 13.3° | 5.8° |
| C5 | N1 | C6 | C4 | 178.7° | 180.0° |
| N1 | C5 | H6 | H7 | 120.0° | 119.9° |
| N1 | C5 | H6 | H8 | 120.0° | 120.0° |
| N1 | C5 | H7 | H8 | 120.0° | 120.0° |
| C5 | N1 | C6 | C7 | 69.9° | 64.1° |
| C5 | N1 | C6 | C10 | 53.9° | 55.9° |
| C5 | N1 | C6 | H9 | 172.0° | 175.9° |
| C6 | N1 | C5 | H6 | 180.0° | 143.7° |
| C6 | N1 | C5 | H7 | 60.0° | 23.8° |
| C6 | N1 | C5 | H8 | 60.0° | 96.3° |
| N1 | C6 | C7 | C10 | 124.2° | 120.1° |
| N1 | C6 | C7 | H9 | 118.5° | 120.0° |
| N1 | C6 | C10 | H9 | 118.5° | 120.0° |
| N1 | C6 | C7 | C8 | 46.2° | 56.2° |
| N1 | C6 | C7 | C9 | 169.9° | 63.8° |
| N1 | C6 | C7 | H10 | 72.0° | 176.3° |
| N1 | C6 | C10 | O3 | 109.2° | 19.0° |
| N1 | C6 | C10 | N2 | 71.4° | 161.0° |
| H6 | C5 | H7 | H8 | 120.0° | 120.1° |
| H6 | C5 | N1 | C4 | 1.3° | 36.4° |
| H7 | C5 | N1 | C4 | 121.3° | 156.3° |
| H8 | C5 | N1 | C4 | 118.7° | 83.7° |
| C7 | C6 | C10 | H9 | 117.1° | 120.0° |
| C6 | C7 | C8 | C9 | 124.1° | 120.0° |
| C6 | C7 | C8 | H10 | 118.0° | 120.1° |
| C6 | C7 | C9 | H10 | 118.0° | 120.0° |
| C6 | C7 | C8 | H11 | 180.0° | 180.0° |
| C6 | C7 | C8 | H12 | 60.0° | 60.1° |
| C6 | C7 | C8 | H13 | 60.0° | 59.9° |
| C6 | C7 | C9 | H14 | 180.0° | 61.9° |
| C6 | C7 | C9 | H15 | 60.0° | 178.1° |
| C6 | C7 | C9 | H16 | 60.0° | 58.1° |
| C7 | C6 | C10 | O3 | 15.2° | 101.1° |
| C7 | C6 | N1 | C4 | 108.8° | 115.9° |
| C7 | C6 | C10 | N2 | 164.2° | 78.9° |
| C10 | C6 | C7 | C8 | 170.4° | 176.2° |
| C10 | C6 | C7 | C9 | 65.9° | 56.3° |
| C10 | C6 | C7 | H10 | 52.3° | 63.7° |
| C6 | C10 | O3 | N2 | 179.4° | 179.9° |
| C6 | C10 | N2 | C12 | 177.0° | 174.4° |
| C6 | C10 | N2 | C15 | 3.1° | 5.6° |
| C10 | C6 | N1 | C4 | 127.5° | 124.1° |
| H9 | C6 | C7 | C8 | 72.4° | 63.8° |
| H9 | C6 | C7 | C9 | 51.3° | 176.2° |
| H9 | C6 | C7 | H10 | 169.5° | 56.3° |
| H9 | C6 | C10 | O3 | 132.3° | 138.9° |
| H9 | C6 | N1 | C4 | 9.3° | 4.1° |
| H9 | C6 | C10 | N2 | 47.1° | 41.0° |
| C8 | C7 | C9 | H10 | 117.9° | 120.0° |
| C7 | C8 | H11 | H12 | 120.0° | 119.9° |
| C7 | C8 | H11 | H13 | 120.0° | 120.0° |
| C7 | C8 | H12 | H13 | 120.0° | 120.0° |
| C8 | C7 | C9 | H14 | 55.8° | 178.2° |
| C8 | C7 | C9 | H15 | 175.9° | 58.1° |
| C8 | C7 | C9 | H16 | 64.2° | 61.9° |
| C9 | C7 | C8 | H11 | 55.9° | 60.0° |
| C9 | C7 | C8 | H12 | 64.1° | 180.0° |
| C9 | C7 | C8 | H13 | 175.9° | 60.0° |
| C7 | C9 | H14 | H15 | 120.0° | 120.0° |
| C7 | C9 | H14 | H16 | 120.0° | 119.9° |
| C7 | C9 | H15 | H16 | 120.0° | 120.0° |
| H10 | C7 | C8 | H11 | 61.9° | 59.9° |
| H10 | C7 | C8 | H12 | 178.0° | 60.0° |
| H10 | C7 | C8 | H13 | 58.0° | 180.0° |
| H10 | C7 | C9 | H14 | 62.1° | 58.2° |
| H10 | C7 | C9 | H15 | 58.0° | 61.8° |
| H10 | C7 | C9 | H16 | 178.0° | 178.1° |
| H11 | C8 | H12 | H13 | 120.0° | 120.1° |
| H14 | C9 | H15 | H16 | 120.0° | 120.0° |
| O3 | C10 | N2 | C12 | 2.4° | 5.5° |
| O3 | C10 | N2 | C15 | 177.5° | 174.4° |
| N2 | C12 | C13 | C11 | 118.9° | 119.5° |
| N2 | C12 | C13 | H17 | 118.0° | 119.4° |
| N2 | C12 | C11 | H17 | 122.1° | 121.0° |
| C12 | N2 | C15 | C10 | 179.9° | 180.0° |
| N2 | C12 | C13 | C14 | 24.9° | 22.2° |
| C12 | N2 | C15 | C14 | 21.0° | 24.1° |
| N2 | C12 | C11 | O4 | 9.0° | 14.3° |
| N2 | C12 | C13 | H18 | 144.2° | 140.6° |
| N2 | C12 | C13 | H19 | 94.3° | 96.1° |
| C12 | N2 | C15 | H21 | 97.9° | 142.9° |
| C12 | N2 | C15 | H22 | 139.8° | 94.8° |
| N2 | C12 | C11 | N3 | 169.2° | 165.6° |
| C13 | C12 | C11 | H17 | 123.0° | 121.1° |
| C13 | C12 | N2 | C15 | 2.4° | 1.0° |
| C12 | C13 | C14 | H18 | 119.2° | 118.3° |
| C12 | C13 | C14 | H19 | 119.2° | 118.4° |
| C12 | C13 | C14 | C15 | 37.7° | 35.5° |
| C13 | C12 | C11 | O4 | 105.9° | 103.5° |
| C12 | C13 | C14 | C16 | 163.1° | 153.6° |
| C12 | C13 | H18 | H19 | 122.3° | 123.3° |
| C12 | C13 | C14 | H20 | 76.5° | 82.6° |
| C13 | C12 | N2 | C10 | 177.5° | 179.0° |
| C13 | C12 | C11 | N3 | 75.9° | 76.5° |
| C11 | C12 | N2 | C15 | 118.6° | 120.5° |
| C11 | C12 | C13 | C14 | 94.0° | 97.2° |
| C12 | C11 | O4 | N3 | 178.1° | 180.0° |
| C11 | C12 | C13 | H18 | 25.2° | 21.1° |
| C11 | C12 | C13 | H19 | 146.7° | 144.4° |
| C12 | C11 | N3 | C22 | 5.7° | 2.2° |
| C12 | C11 | N3 | C19 | 173.8° | 177.8° |
| C11 | C12 | N2 | C10 | 61.5° | 59.5° |
| N2 | C15 | C14 | C13 | 35.2° | 37.0° |
| N2 | C15 | C14 | H21 | 118.9° | 118.8° |
| N2 | C15 | C14 | H22 | 118.9° | 118.9° |
| N2 | C15 | C14 | C16 | 159.6° | 155.1° |
| C15 | N2 | C12 | H17 | 119.8° | 118.4° |
| N2 | C15 | C14 | H20 | 79.0° | 81.1° |
| N2 | C15 | H21 | H22 | 123.3° | 122.3° |
| C13 | C14 | C15 | C16 | 124.4° | 118.0° |
| C13 | C14 | C15 | H20 | 114.1° | 118.1° |
| C13 | C14 | C16 | H20 | 120.4° | 123.9° |
| C13 | C14 | C16 | C17 | 177.9° | 175.0° |
| C14 | C13 | C12 | H17 | 143.0° | 141.6° |
| C14 | C13 | H18 | H19 | 122.3° | 123.3° |
| C13 | C14 | C15 | H21 | 83.7° | 155.9° |
| C13 | C14 | C15 | H22 | 154.0° | 81.9° |
| C13 | C14 | C16 | H23 | 61.4° | 55.0° |
| C13 | C14 | C16 | H24 | 57.2° | 65.0° |
| C15 | C14 | C16 | H20 | 121.5° | 124.0° |
| C15 | C14 | C16 | C17 | 59.8° | 72.8° |
| C15 | C14 | C13 | H18 | 156.9° | 153.9° |
| C15 | C14 | C13 | H19 | 81.5° | 82.8° |
| C14 | C15 | H21 | H22 | 123.3° | 122.3° |
| C15 | C14 | C16 | H23 | 179.6° | 167.2° |
| C15 | C14 | C16 | H24 | 60.9° | 47.1° |
| C14 | C15 | N2 | C10 | 159.1° | 155.9° |
| O4 | C11 | C12 | H17 | 131.1° | 135.4° |
| O4 | C11 | N3 | C22 | 176.1° | 177.9° |
| O4 | C11 | N3 | C19 | 4.4° | 2.1° |
| C14 | C16 | C17 | H23 | 120.7° | 120.0° |
| C14 | C16 | C17 | H24 | 120.7° | 119.9° |
| C16 | C14 | C13 | H18 | 77.7° | 88.1° |
| C16 | C14 | C13 | H19 | 43.9° | 35.2° |
| C16 | C14 | C15 | H21 | 40.7° | 86.1° |
| C16 | C14 | C15 | H22 | 81.6° | 36.1° |
| C14 | C16 | H23 | H24 | 117.9° | 120.0° |
| C14 | C16 | C17 | H25 | 180.0° | 180.0° |
| C14 | C16 | C17 | H26 | 60.0° | 60.0° |
| C14 | C16 | C17 | H27 | 60.0° | 60.1° |
| C17 | C16 | C14 | H20 | 61.7° | 51.2° |
| C17 | C16 | H23 | H24 | 117.9° | 120.0° |
| C16 | C17 | H25 | H26 | 120.0° | 120.0° |
| C16 | C17 | H25 | H27 | 120.0° | 120.0° |
| C16 | C17 | H26 | H27 | 120.0° | 120.1° |
| H17 | C12 | C13 | H18 | 97.8° | 100.0° |
| H17 | C12 | C13 | H19 | 23.7° | 23.3° |
| H17 | C12 | N2 | C10 | 60.1° | 61.6° |
| H17 | C12 | C11 | N3 | 47.0° | 44.6° |
| H18 | C13 | C14 | H20 | 42.7° | 35.7° |
| H19 | C13 | C14 | H20 | 164.3° | 159.0° |
| H20 | C14 | C15 | H21 | 162.2° | 37.8° |
| H20 | C14 | C15 | H22 | 39.9° | 160.0° |
| H20 | C14 | C16 | H23 | 59.0° | 68.8° |
| H20 | C14 | C16 | H24 | 177.6° | 171.1° |
| H21 | C15 | N2 | C10 | 82.0° | 37.0° |
| H22 | C15 | N2 | C10 | 40.3° | 85.2° |
| H23 | C16 | C17 | H25 | 59.3° | 60.0° |
| H23 | C16 | C17 | H26 | 179.3° | NaN° |
| H23 | C16 | C17 | H27 | 60.7° | 59.9° |
| H24 | C16 | C17 | H25 | 59.3° | 60.1° |
| H24 | C16 | C17 | H26 | 60.7° | 59.9° |
| H24 | C16 | C17 | H27 | 179.3° | 180.0° |
| H25 | C17 | H26 | H27 | 120.0° | 119.9° |
| C22 | N3 | C19 | C11 | 179.5° | 180.0° |
| C22 | N3 | C19 | C18 | 59.8° | 5.7° |
| C22 | N3 | C19 | C20 | 63.6° | 113.8° |
| C22 | N3 | C19 | H28 | 178.4° | 125.7° |
| N3 | C22 | H33 | H34 | 120.0° | 120.0° |
| N3 | C22 | H33 | H35 | 120.0° | 120.0° |
| N3 | C22 | H34 | H35 | 120.0° | 120.1° |
| N3 | C19 | C18 | O5 | 16.4° | 63.5° |
| N3 | C19 | C20 | O6 | 79.4° | 14.6° |
| N3 | C19 | C18 | C20 | 124.9° | 119.6° |
| N3 | C19 | C18 | H28 | 119.1° | 120.3° |
| N3 | C19 | C20 | H28 | 118.6° | 120.5° |
| N3 | C19 | C20 | C21 | 40.0° | 105.1° |
| N3 | C19 | C20 | H29 | 160.9° | 134.8° |
| C19 | N3 | C22 | H33 | 180.0° | 85.3° |
| C19 | N3 | C22 | H34 | 60.0° | 34.6° |
| C19 | N3 | C22 | H35 | 60.0° | 154.7° |
| N3 | C19 | C18 | N4 | 163.7° | 116.5° |
| O5 | C18 | C19 | N4 | 179.9° | 179.9° |
| O5 | C18 | C19 | C20 | 108.5° | 56.1° |
| O5 | C18 | C19 | H28 | 135.5° | 176.3° |
| O5 | C18 | N4 | C23 | 21.2° | 0.9° |
| O5 | C18 | N4 | H36 | 158.8° | 179.1° |
| O6 | C20 | C19 | C18 | 46.0° | 105.1° |
| O6 | C20 | C19 | C21 | 119.4° | 119.7° |
| O6 | C20 | C19 | H29 | 119.7° | 120.2° |
| O6 | C20 | C19 | H28 | 162.0° | 135.0° |
| O6 | C20 | C21 | H29 | 119.3° | 120.3° |
| O6 | C20 | C21 | H30 | 180.0° | 60.1° |
| O6 | C20 | C21 | H31 | 60.0° | 180.0° |
| O6 | C20 | C21 | H32 | 60.0° | 59.9° |
| C20 | O6 | C61 | C60 | 179.6° | 179.9° |
| C20 | O6 | C61 | O13 | 1.6° | 0.1° |
| C18 | C19 | C20 | H28 | 116.0° | 119.9° |
| C18 | C19 | C20 | C21 | 165.4° | 135.2° |
| C18 | C19 | C20 | H29 | 73.7° | 15.2° |
| C19 | C18 | N4 | C23 | 158.7° | 179.2° |
| C19 | C18 | N4 | H36 | 21.3° | 0.9° |
| C18 | C19 | N3 | C11 | 120.6° | 174.3° |
| C19 | C20 | C21 | H29 | 120.8° | 119.9° |
| C19 | C20 | C21 | H30 | 60.1° | 179.9° |
| C19 | C20 | C21 | H31 | 59.9° | 60.2° |
| C19 | C20 | C21 | H32 | 179.9° | 59.9° |
| C20 | C19 | N3 | C11 | 115.9° | 66.2° |
| C20 | C19 | C18 | N4 | 71.4° | 124.0° |
| C19 | C20 | O6 | C61 | 164.6° | 142.9° |
| H28 | C19 | C20 | C21 | 78.6° | 15.3° |
| H28 | C19 | C20 | H29 | 42.3° | 104.7° |
| H28 | C19 | N3 | C11 | 2.0° | 54.3° |
| H28 | C19 | C18 | N4 | 44.6° | 3.8° |
| C20 | C21 | H30 | H31 | 120.0° | 119.9° |
| C20 | C21 | H30 | H32 | 120.0° | 120.0° |
| C20 | C21 | H31 | H32 | 120.0° | 120.0° |
| C21 | C20 | O6 | C61 | 73.4° | 97.5° |
| H29 | C20 | C21 | H30 | 60.7° | 60.3° |
| H29 | C20 | C21 | H31 | 179.3° | 59.7° |
| H29 | C20 | C21 | H32 | 59.3° | 179.7° |
| H29 | C20 | O6 | C61 | 45.5° | 22.8° |
| H30 | C21 | H31 | H32 | 120.0° | 120.0° |
| H33 | C22 | H34 | H35 | 120.0° | 120.0° |
| H33 | C22 | N3 | C11 | 0.5° | 94.7° |
| H34 | C22 | N3 | C11 | 120.5° | 145.4° |
| H35 | C22 | N3 | C11 | 119.5° | 25.3° |
| C23 | N4 | H36 | C18 | 180.0° | 179.9° |
| N4 | C23 | C24 | C25 | 122.0° | 122.2° |
| N4 | C23 | C24 | H37 | 117.8° | 119.5° |
| N4 | C23 | C25 | H37 | 120.5° | 119.2° |
| N4 | C23 | C24 | O7 | 46.0° | 22.5° |
| N4 | C23 | C25 | C26 | 90.3° | 62.4° |
| N4 | C23 | C25 | H38 | 30.6° | 57.6° |
| N4 | C23 | C25 | H39 | 148.9° | 177.6° |
| N4 | C23 | C24 | N5 | 132.9° | 156.8° |
| H36 | N4 | C23 | C24 | 131.7° | 118.2° |
| H36 | N4 | C23 | C25 | 8.7° | 119.6° |
| H36 | N4 | C23 | H37 | 111.2° | 1.2° |
| C24 | C23 | C25 | H37 | 120.2° | 118.9° |
| C23 | C24 | O7 | N5 | 178.9° | 179.3° |
| C24 | C23 | C25 | C26 | 150.5° | 175.7° |
| C24 | C23 | C25 | H38 | 88.7° | 64.3° |
| C24 | C23 | C25 | H39 | 29.6° | 55.7° |
| C23 | C24 | N5 | C30 | 179.5° | 175.7° |
| C23 | C24 | N5 | C32 | 1.9° | 5.7° |
| C24 | C23 | N4 | C18 | 48.3° | 61.8° |
| C25 | C23 | C24 | O7 | 76.0° | 99.7° |
| C23 | C25 | C26 | H38 | 120.8° | 119.9° |
| C23 | C25 | C26 | H39 | 120.8° | 120.0° |
| C23 | C25 | H38 | H39 | 117.4° | 120.0° |
| C23 | C25 | C26 | C27 | 42.9° | 175.5° |
| C23 | C25 | C26 | C28 | 165.9° | 64.5° |
| C23 | C25 | C26 | H40 | 75.8° | 55.5° |
| C25 | C23 | N4 | C18 | 171.3° | 60.5° |
| C25 | C23 | C24 | N5 | 105.1° | 81.0° |
| H37 | C23 | C24 | O7 | 163.8° | 142.0° |
| H37 | C23 | C25 | C26 | 30.3° | 56.8° |
| H37 | C23 | C25 | H38 | 151.1° | 176.8° |
| H37 | C23 | C25 | H39 | 90.6° | 63.2° |
| H37 | C23 | N4 | C18 | 68.8° | 178.9° |
| H37 | C23 | C24 | N5 | 15.1° | 37.3° |
| O7 | C24 | N5 | C30 | 1.6° | 5.0° |
| O7 | C24 | N5 | C32 | 177.0° | 173.6° |
| C26 | C25 | H38 | H39 | 117.4° | 120.1° |
| C25 | C26 | C27 | C28 | 123.4° | 120.0° |
| C25 | C26 | C27 | H40 | 118.6° | 120.0° |
| C25 | C26 | C28 | H40 | 118.3° | 120.1° |
| C25 | C26 | C27 | H41 | 180.0° | 175.0° |
| C25 | C26 | C27 | H42 | 60.0° | 65.0° |
| C25 | C26 | C27 | H43 | 60.0° | 55.0° |
| C25 | C26 | C28 | H44 | 180.0° | 60.1° |
| C25 | C26 | C28 | H45 | 60.0° | 180.0° |
| C25 | C26 | C28 | H46 | 60.0° | 59.9° |
| H38 | C25 | C26 | C27 | 77.9° | 55.6° |
| H38 | C25 | C26 | C28 | 45.1° | 175.6° |
| H38 | C25 | C26 | H40 | 163.4° | 64.4° |
| H39 | C25 | C26 | C27 | 163.7° | 64.5° |
| H39 | C25 | C26 | C28 | 73.3° | 55.5° |
| H39 | C25 | C26 | H40 | 45.0° | 175.5° |
| C27 | C26 | C28 | H40 | 118.0° | 120.0° |
| C26 | C27 | H41 | H42 | 120.0° | 120.0° |
| C26 | C27 | H41 | H43 | 120.0° | 120.0° |
| C26 | C27 | H42 | H43 | 120.0° | 120.0° |
| C27 | C26 | C28 | H44 | 56.2° | 180.0° |
| C27 | C26 | C28 | H45 | 63.7° | 60.0° |
| C27 | C26 | C28 | H46 | 176.3° | 60.0° |
| C28 | C26 | C27 | H41 | 56.6° | 55.0° |
| C28 | C26 | C27 | H42 | 176.6° | 175.0° |
| C28 | C26 | C27 | H43 | 63.4° | 64.9° |
| C26 | C28 | H44 | H45 | 120.0° | 120.0° |
| C26 | C28 | H44 | H46 | 120.0° | 120.0° |
| C26 | C28 | H45 | H46 | 120.0° | 120.0° |
| H40 | C26 | C27 | H41 | 61.4° | 65.0° |
| H40 | C26 | C27 | H42 | 58.6° | 55.0° |
| H40 | C26 | C27 | H43 | 178.6° | 175.1° |
| H40 | C26 | C28 | H44 | 61.8° | 60.0° |
| H40 | C26 | C28 | H45 | 178.3° | 60.0° |
| H40 | C26 | C28 | H46 | 58.3° | 180.0° |
| H41 | C27 | H42 | H43 | 120.0° | 120.1° |
| H44 | C28 | H45 | H46 | 120.0° | 120.0° |
| O8 | C29 | C30 | N6 | 177.5° | 179.4° |
| O8 | C29 | C30 | N5 | 111.4° | 25.3° |
| O8 | C29 | C30 | C31 | 2.5° | 93.2° |
| O8 | C29 | C30 | H47 | 124.4° | 145.9° |
| O8 | C29 | N6 | C35 | 13.8° | 20.9° |
| O8 | C29 | N6 | H56 | 166.2° | 160.8° |
| C29 | C30 | N5 | C31 | 119.5° | 119.3° |
| C29 | C30 | N5 | H47 | 123.7° | 120.9° |
| C29 | C30 | N5 | C32 | 100.4° | 137.4° |
| C29 | C30 | C31 | H47 | 122.0° | 120.6° |
| C29 | C30 | C31 | C34 | 82.9° | 128.6° |
| C29 | C30 | C31 | H48 | 35.9° | 9.7° |
| C29 | C30 | C31 | H49 | 158.3° | 111.7° |
| C30 | C29 | N6 | C35 | 163.7° | 158.5° |
| C30 | C29 | N6 | H56 | 16.3° | 19.8° |
| C29 | C30 | N5 | C24 | 80.8° | 43.8° |
| C30 | N5 | C32 | C24 | 178.7° | 178.8° |
| N5 | C30 | C31 | H47 | 117.5° | 119.4° |
| N5 | C30 | C31 | C34 | 37.7° | 8.6° |
| N5 | C30 | C31 | H48 | 156.5° | 110.3° |
| N5 | C30 | C31 | H49 | 81.1° | 128.2° |
| C30 | N5 | C32 | C34 | 7.5° | 20.3° |
| C30 | N5 | C32 | H50 | 111.5° | 98.3° |
| C30 | N5 | C32 | H51 | 126.5° | 140.6° |
| N5 | C30 | C29 | N6 | 71.2° | 155.4° |
| C32 | N5 | C30 | C31 | 19.1° | 18.1° |
| C32 | N5 | C30 | H47 | 135.9° | 101.7° |
| N5 | C32 | C34 | C31 | 30.9° | 14.4° |
| N5 | C32 | C34 | H50 | 119.0° | 118.2° |
| N5 | C32 | C34 | H51 | 119.0° | 120.5° |
| N5 | C32 | H50 | H51 | 123.0° | 121.4° |
| N5 | C32 | C34 | C33 | 156.2° | 133.5° |
| N5 | C32 | C34 | H55 | 83.2° | 104.3° |
| C30 | C31 | C34 | H48 | 118.8° | 119.0° |
| C30 | C31 | C34 | H49 | 118.8° | 119.4° |
| C30 | C31 | H48 | H49 | 123.5° | 121.5° |
| C30 | C31 | C34 | C32 | 42.8° | 3.5° |
| C30 | C31 | C34 | C33 | 166.9° | 122.3° |
| C30 | C31 | C34 | H55 | 71.3° | 115.2° |
| C31 | C30 | N5 | C24 | 159.7° | 163.1° |
| C31 | C30 | C29 | N6 | 175.0° | 86.2° |
| H47 | C30 | C31 | C34 | 155.1° | 110.7° |
| H47 | C30 | C31 | H48 | 86.1° | 130.4° |
| H47 | C30 | C31 | H49 | 36.3° | 8.9° |
| H47 | C30 | N5 | C24 | 42.9° | 77.1° |
| H47 | C30 | C29 | N6 | 53.1° | 34.7° |
| C34 | C31 | H48 | H49 | 123.5° | 121.8° |
| C31 | C34 | C32 | C33 | 125.3° | 119.1° |
| C31 | C34 | C32 | H55 | 114.1° | 118.7° |
| C31 | C34 | C32 | H50 | 88.0° | 103.8° |
| C31 | C34 | C32 | H51 | 149.9° | 134.9° |
| C31 | C34 | C33 | H55 | 121.7° | 122.1° |
| C31 | C34 | C33 | H52 | 180.0° | 60.0° |
| C31 | C34 | C33 | H53 | 60.0° | 180.0° |
| C31 | C34 | C33 | H54 | 60.0° | 60.0° |
| H48 | C31 | C34 | C32 | 161.6° | 122.4° |
| H48 | C31 | C34 | C33 | 74.3° | 118.7° |
| H48 | C31 | C34 | H55 | 47.5° | 3.7° |
| H49 | C31 | C34 | C32 | 76.0° | 116.0° |
| H49 | C31 | C34 | C33 | 48.1° | 2.9° |
| H49 | C31 | C34 | H55 | 169.9° | 125.3° |
| C34 | C32 | H50 | H51 | 123.0° | 121.1° |
| C32 | C34 | C33 | H55 | 120.5° | 121.8° |
| C32 | C34 | C33 | H52 | 62.2° | 56.1° |
| C32 | C34 | C33 | H53 | 177.8° | 63.8° |
| C32 | C34 | C33 | H54 | 57.8° | 176.1° |
| C34 | C32 | N5 | C24 | 173.8° | 160.9° |
| H50 | C32 | C34 | C33 | 37.2° | 15.3° |
| H50 | C32 | C34 | H55 | 157.8° | 137.5° |
| H50 | C32 | N5 | C24 | 67.2° | 80.5° |
| H51 | C32 | C34 | C33 | 84.8° | 106.0° |
| H51 | C32 | C34 | H55 | 35.8° | 16.2° |
| H51 | C32 | N5 | C24 | 54.8° | 40.6° |
| C34 | C33 | H52 | H53 | 120.0° | 120.0° |
| C34 | C33 | H52 | H54 | 120.0° | 120.0° |
| C34 | C33 | H53 | H54 | 120.0° | 120.0° |
| H52 | C33 | H53 | H54 | 119.9° | 120.0° |
| H52 | C33 | C34 | H55 | 58.3° | 177.9° |
| H53 | C33 | C34 | H55 | 61.7° | 58.0° |
| H54 | C33 | C34 | H55 | 178.3° | 62.1° |
| O9 | C36 | C35 | N7 | 179.3° | 179.4° |
| O9 | C36 | C35 | C37 | 101.8° | 94.7° |
| O9 | C36 | C35 | N6 | 21.5° | 27.3° |
| O9 | C36 | C35 | H57 | 139.6° | 146.5° |
| O9 | C36 | N7 | C42 | 174.8° | 75.4° |
| O9 | C36 | N7 | C43 | 12.0° | 103.5° |
| C36 | C35 | C37 | N6 | 120.1° | 122.3° |
| C36 | C35 | C37 | H57 | 118.6° | 118.7° |
| C36 | C35 | N6 | H57 | 117.5° | 119.1° |
| C36 | C35 | C37 | C38 | 168.3° | 172.8° |
| C36 | C35 | N6 | H56 | 116.4° | 110.7° |
| C36 | C35 | C37 | H58 | 71.0° | 67.3° |
| C36 | C35 | C37 | H59 | 47.5° | 52.8° |
| C35 | C36 | N7 | C42 | 5.9° | 104.0° |
| C35 | C36 | N7 | C43 | 168.7° | 77.1° |
| C36 | C35 | N6 | C29 | 63.6° | 71.0° |
| C37 | C35 | N6 | H57 | 120.8° | 119.1° |
| C35 | C37 | C38 | H58 | 120.8° | 120.0° |
| C35 | C37 | C38 | H59 | 120.8° | 120.0° |
| C35 | C37 | C38 | C39 | 71.7° | 180.0° |
| C37 | C35 | N6 | H56 | 5.3° | 127.5° |
| C35 | C37 | H58 | H59 | 117.6° | 120.1° |
| C35 | C37 | C38 | H60 | 167.3° | 60.0° |
| C35 | C37 | C38 | H61 | 49.3° | 60.0° |
| C37 | C35 | N6 | C29 | 174.7° | 50.8° |
| C37 | C35 | C36 | N7 | 77.6° | 84.7° |
| N6 | C35 | C37 | C38 | 71.6° | 65.0° |
| C35 | N6 | H56 | C29 | 180.0° | 178.3° |
| N6 | C35 | C37 | H58 | 49.1° | 55.0° |
| N6 | C35 | C37 | H59 | 167.6° | 175.0° |
| N6 | C35 | C36 | N7 | 159.2° | 153.3° |
| C37 | C38 | C39 | H60 | 121.0° | 120.0° |
| C37 | C38 | C39 | H61 | 121.0° | 119.9° |
| C37 | C38 | C39 | C41 | 54.3° | 175.0° |
| C37 | C38 | C39 | C40 | 177.7° | 65.0° |
| C38 | C37 | C35 | H57 | 49.7° | 54.0° |
| C38 | C37 | H58 | H59 | 117.6° | 120.0° |
| C37 | C38 | H60 | H61 | 116.8° | 120.0° |
| C37 | C38 | C39 | H62 | 64.1° | 55.0° |
| C38 | C39 | C41 | C40 | 123.9° | 120.0° |
| C38 | C39 | C41 | H62 | 118.3° | 120.0° |
| C38 | C39 | C40 | H62 | 118.1° | 120.0° |
| C39 | C38 | C37 | H58 | 49.1° | 60.0° |
| C39 | C38 | C37 | H59 | 167.5° | 60.0° |
| C39 | C38 | H60 | H61 | 116.7° | 120.0° |
| C38 | C39 | C40 | H63 | 180.0° | 60.0° |
| C38 | C39 | C40 | H64 | 60.0° | 180.0° |
| C38 | C39 | C40 | H65 | 60.0° | 60.0° |
| C38 | C39 | C41 | H66 | 180.0° | 60.0° |
| C38 | C39 | C41 | H67 | 60.0° | 180.0° |
| C38 | C39 | C41 | H68 | 60.0° | 60.0° |
| C41 | C39 | C40 | H62 | 117.8° | 120.0° |
| C41 | C39 | C38 | H60 | 66.8° | 65.0° |
| C41 | C39 | C38 | H61 | 175.3° | 55.1° |
| C41 | C39 | C40 | H63 | 55.9° | 60.0° |
| C41 | C39 | C40 | H64 | 64.1° | 60.0° |
| C41 | C39 | C40 | H65 | 175.9° | 180.0° |
| C39 | C41 | H66 | H67 | 120.0° | 120.1° |
| C39 | C41 | H66 | H68 | 120.0° | 120.0° |
| C39 | C41 | H67 | H68 | 120.0° | 120.0° |
| C40 | C39 | C38 | H60 | 56.7° | 55.0° |
| C40 | C39 | C38 | H61 | 61.2° | 175.0° |
| C39 | C40 | H63 | H64 | 120.0° | 120.0° |
| C39 | C40 | H63 | H65 | 120.0° | 120.0° |
| C39 | C40 | H64 | H65 | 120.0° | 119.9° |
| C40 | C39 | C41 | H66 | 56.1° | 180.0° |
| C40 | C39 | C41 | H67 | 176.1° | 60.0° |
| C40 | C39 | C41 | H68 | 63.9° | 60.0° |
| H56 | N6 | C35 | H57 | 126.1° | 8.5° |
| H57 | C35 | C37 | H58 | 170.5° | 174.0° |
| H57 | C35 | C37 | H59 | 71.1° | 66.0° |
| H57 | C35 | N6 | C29 | 53.9° | 169.8° |
| H57 | C35 | C36 | N7 | 41.1° | 34.1° |
| H58 | C37 | C38 | H60 | 71.9° | 180.0° |
| H58 | C37 | C38 | H61 | 170.1° | 60.0° |
| H59 | C37 | C38 | H60 | 46.5° | 60.0° |
| H59 | C37 | C38 | H61 | 71.5° | 180.0° |
| H60 | C38 | C39 | H62 | 174.9° | 175.0° |
| H61 | C38 | C39 | H62 | 56.9° | 65.0° |
| H62 | C39 | C40 | H63 | 61.9° | 180.0° |
| H62 | C39 | C40 | H64 | 178.1° | 59.9° |
| H62 | C39 | C40 | H65 | 58.1° | 60.0° |
| H62 | C39 | C41 | H66 | 61.7° | 60.0° |
| H62 | C39 | C41 | H67 | 58.3° | 60.0° |
| H62 | C39 | C41 | H68 | 178.3° | 180.0° |
| H63 | C40 | H64 | H65 | 120.0° | 120.0° |
| H66 | C41 | H67 | H68 | 120.0° | 119.9° |
| C42 | N7 | C43 | C36 | 164.5° | 179.0° |
| N7 | C42 | H69 | H70 | 120.0° | 120.0° |
| N7 | C42 | H69 | H71 | 120.0° | 120.0° |
| N7 | C42 | H70 | H71 | 120.0° | 120.0° |
| C42 | N7 | C43 | C44 | 63.4° | 57.9° |
| C42 | N7 | C43 | C47 | 60.1° | 67.9° |
| C42 | N7 | C43 | H72 | 179.1° | 175.2° |
| C43 | N7 | C42 | H69 | 180.0° | 178.8° |
| C43 | N7 | C42 | H70 | 60.0° | 58.8° |
| C43 | N7 | C42 | H71 | 60.0° | 61.1° |
| N7 | C43 | C44 | C47 | 124.7° | 124.7° |
| N7 | C43 | C44 | H72 | 118.0° | 116.8° |
| N7 | C43 | C47 | H72 | 119.3° | 116.6° |
| N7 | C43 | C44 | C45 | 42.1° | 180.0° |
| N7 | C43 | C44 | C46 | 166.0° | 60.0° |
| N7 | C43 | C44 | H73 | 76.0° | 60.1° |
| N7 | C43 | C47 | O10 | 108.2° | 100.9° |
| N7 | C43 | C47 | N8 | 73.6° | 80.0° |
| H69 | C42 | H70 | H71 | 120.0° | 120.0° |
| H69 | C42 | N7 | C36 | 16.4° | 0.0° |
| H70 | C42 | N7 | C36 | 136.4° | 120.0° |
| H71 | C42 | N7 | C36 | 103.6° | 120.0° |
| C44 | C43 | C47 | H72 | 117.2° | 118.7° |
| C43 | C44 | C45 | C46 | 124.4° | 120.0° |
| C43 | C44 | C45 | H73 | 118.0° | 120.0° |
| C43 | C44 | C46 | H73 | 117.8° | 120.1° |
| C43 | C44 | C45 | H74 | 180.0° | 59.9° |
| C43 | C44 | C45 | H75 | 60.0° | 180.0° |
| C43 | C44 | C45 | H76 | 60.0° | 60.0° |
| C43 | C44 | C46 | H77 | 180.0° | 60.0° |
| C43 | C44 | C46 | H78 | 60.0° | 180.0° |
| C43 | C44 | C46 | H79 | 60.0° | 60.0° |
| C44 | C43 | C47 | O10 | 15.3° | 134.4° |
| C44 | C43 | N7 | C36 | 101.2° | 123.2° |
| C44 | C43 | C47 | N8 | 162.9° | 44.7° |
| C47 | C43 | C44 | C45 | 166.9° | 55.4° |
| C47 | C43 | C44 | C46 | 69.2° | 175.4° |
| C47 | C43 | C44 | H73 | 48.7° | 64.6° |
| C43 | C47 | O10 | N8 | 178.2° | 179.2° |
| C43 | C47 | N8 | C48 | 29.8° | 163.4° |
| C43 | C47 | N8 | C52 | 153.1° | 19.3° |
| C47 | C43 | N7 | C36 | 135.4° | 111.1° |
| H72 | C43 | C44 | C45 | 75.9° | 63.2° |
| H72 | C43 | C44 | C46 | 48.0° | 56.8° |
| H72 | C43 | C44 | H73 | 166.0° | 176.8° |
| H72 | C43 | C47 | O10 | 132.5° | 15.7° |
| H72 | C43 | N7 | C36 | 16.4° | 5.9° |
| H72 | C43 | C47 | N8 | 45.7° | 163.5° |
| C45 | C44 | C46 | H73 | 117.5° | 119.9° |
| C44 | C45 | H74 | H75 | 120.0° | 120.1° |
| C44 | C45 | H74 | H76 | 120.0° | 119.9° |
| C44 | C45 | H75 | H76 | 120.0° | 120.0° |
| C45 | C44 | C46 | H77 | 55.3° | 180.0° |
| C45 | C44 | C46 | H78 | 175.3° | 60.0° |
| C45 | C44 | C46 | H79 | 64.7° | 60.0° |
| C46 | C44 | C45 | H74 | 55.5° | 60.1° |
| C46 | C44 | C45 | H75 | 64.4° | 60.0° |
| C46 | C44 | C45 | H76 | 175.6° | 180.0° |
| C44 | C46 | H77 | H78 | 120.0° | 120.0° |
| C44 | C46 | H77 | H79 | 120.0° | 120.0° |
| C44 | C46 | H78 | H79 | 120.0° | 120.0° |
| H73 | C44 | C45 | H74 | 62.0° | 180.0° |
| H73 | C44 | C45 | H75 | 178.0° | 60.0° |
| H73 | C44 | C45 | H76 | 58.0° | 60.0° |
| H73 | C44 | C46 | H77 | 62.2° | 60.1° |
| H73 | C44 | C46 | H78 | 57.8° | 60.0° |
| H73 | C44 | C46 | H79 | 177.8° | 180.0° |
| H74 | C45 | H75 | H76 | 120.0° | 120.0° |
| H77 | C46 | H78 | H79 | 120.0° | 120.0° |
| O10 | C47 | N8 | C48 | 148.4° | 17.5° |
| O10 | C47 | N8 | C52 | 28.7° | 159.9° |
| C48 | N8 | C52 | C47 | 177.4° | 177.7° |
| N8 | C48 | C49 | C50 | 110.8° | 119.0° |
| N8 | C48 | C49 | H80 | 126.0° | 119.4° |
| N8 | C48 | C50 | H80 | 117.5° | 117.3° |
| N8 | C48 | C49 | O11 | 0.2° | 31.3° |
| N8 | C48 | C50 | C51 | 44.2° | 26.7° |
| N8 | C48 | C50 | H81 | 162.8° | 91.9° |
| N8 | C48 | C50 | H82 | 74.4° | 145.0° |
| C48 | N8 | C52 | C51 | 3.1° | 6.3° |
| C48 | N8 | C52 | H85 | 122.0° | 112.4° |
| C48 | N8 | C52 | H86 | 115.8° | 126.2° |
| N8 | C48 | C49 | N9 | 176.8° | 150.6° |
| C52 | N8 | C48 | C49 | 88.1° | 142.1° |
| C52 | N8 | C48 | C50 | 29.7° | 20.8° |
| C52 | N8 | C48 | H80 | 146.4° | 97.1° |
| N8 | C52 | C51 | C50 | 25.6° | 10.4° |
| N8 | C52 | C51 | H85 | 118.9° | 119.1° |
| N8 | C52 | C51 | H86 | 119.0° | 120.8° |
| N8 | C52 | C51 | H83 | 93.5° | 129.4° |
| N8 | C52 | C51 | H84 | 144.6° | 108.3° |
| N8 | C52 | H85 | H86 | 123.0° | 121.9° |
| C49 | C48 | C50 | H80 | 123.3° | 122.3° |
| C48 | C49 | O11 | N9 | 176.8° | 178.1° |
| C49 | C48 | C50 | C51 | 75.0° | 147.1° |
| C49 | C48 | C50 | H81 | 43.6° | 28.5° |
| C49 | C48 | C50 | H82 | 166.4° | 94.6° |
| C48 | C49 | N9 | C53 | 24.5° | 17.1° |
| C48 | C49 | N9 | C54 | 157.9° | 161.4° |
| C49 | C48 | N8 | C47 | 94.4° | 40.0° |
| C50 | C48 | C49 | O11 | 111.0° | 87.7° |
| C48 | C50 | C51 | H81 | 118.6° | 118.6° |
| C48 | C50 | C51 | H82 | 118.6° | 118.6° |
| C48 | C50 | H81 | H82 | 123.9° | 123.0° |
| C48 | C50 | C51 | C52 | 43.8° | 22.1° |
| C48 | C50 | C51 | H83 | 75.2° | 141.0° |
| C48 | C50 | C51 | H84 | 162.8° | 96.4° |
| C50 | C48 | N8 | C47 | 147.8° | 161.3° |
| C50 | C48 | C49 | N9 | 66.0° | 90.4° |
| H80 | C48 | C49 | O11 | 125.8° | 150.7° |
| H80 | C48 | C50 | C51 | 161.7° | 90.6° |
| H80 | C48 | C50 | H81 | 79.7° | 150.8° |
| H80 | C48 | C50 | H82 | 43.1° | 27.8° |
| H80 | C48 | N8 | C47 | 31.1° | 80.8° |
| H80 | C48 | C49 | N9 | 57.2° | 31.2° |
| O11 | C49 | N9 | C53 | 158.5° | 160.9° |
| O11 | C49 | N9 | C54 | 19.0° | 20.5° |
| C51 | C50 | H81 | H82 | 123.9° | 122.6° |
| C50 | C51 | C52 | H83 | 119.0° | 119.0° |
| C50 | C51 | C52 | H84 | 119.0° | 118.7° |
| C50 | C51 | H83 | H84 | 122.9° | 122.3° |
| C50 | C51 | C52 | H85 | 93.4° | 129.5° |
| C50 | C51 | C52 | H86 | 144.5° | 110.4° |
| H81 | C50 | C51 | C52 | 162.5° | 96.4° |
| H81 | C50 | C51 | H83 | 43.4° | 22.4° |
| H81 | C50 | C51 | H84 | 78.5° | 145.0° |
| H82 | C50 | C51 | C52 | 74.8° | 140.7° |
| H82 | C50 | C51 | H83 | 166.2° | 100.4° |
| H82 | C50 | C51 | H84 | 44.2° | 22.2° |
| C52 | C51 | H83 | H84 | 122.9° | 121.8° |
| C51 | C52 | H85 | H86 | 123.0° | 119.6° |
| C51 | C52 | N8 | C47 | 174.3° | 176.0° |
| H83 | C51 | C52 | H85 | 147.6° | 111.5° |
| H83 | C51 | C52 | H86 | 25.5° | 8.6° |
| H84 | C51 | C52 | H85 | 25.6° | 10.8° |
| H84 | C51 | C52 | H86 | 96.4° | 130.9° |
| H85 | C52 | N8 | C47 | 55.4° | 65.3° |
| H86 | C52 | N8 | C47 | 66.7° | 56.1° |
| C53 | N9 | C54 | C49 | 177.7° | 178.6° |
| C53 | N9 | C54 | C55 | 52.9° | 112.0° |
| C53 | N9 | C54 | C56 | 69.4° | 124.0° |
| N9 | C53 | H87 | H88 | 120.0° | 120.0° |
| N9 | C53 | H87 | H89 | 120.0° | 120.0° |
| N9 | C53 | H88 | H89 | 120.0° | 120.0° |
| C53 | N9 | C54 | H90 | 171.9° | 6.2° |
| N9 | C54 | C55 | C56 | 123.5° | 124.2° |
| N9 | C54 | C55 | H90 | 119.5° | 118.2° |
| N9 | C54 | C56 | H90 | 119.2° | 117.5° |
| N9 | C54 | C55 | O12 | 123.0° | 15.9° |
| N9 | C54 | C56 | C57 | 57.6° | 75.3° |
| C54 | N9 | C53 | H87 | 180.0° | 178.5° |
| C54 | N9 | C53 | H88 | 60.0° | 61.5° |
| C54 | N9 | C53 | H89 | 60.0° | 58.5° |
| N9 | C54 | C56 | H91 | 178.5° | 164.8° |
| N9 | C54 | C56 | H92 | 63.3° | 44.7° |
| N9 | C54 | C55 | N10 | 56.8° | 163.4° |
| C55 | C54 | C56 | H90 | 117.0° | 117.4° |
| C54 | C55 | O12 | N10 | 179.7° | 179.3° |
| C55 | C54 | C56 | C57 | 178.6° | 159.7° |
| C55 | C54 | C56 | H91 | 57.7° | 39.7° |
| C55 | C54 | C56 | H92 | 60.5° | 80.3° |
| C54 | C55 | N10 | C60 | 179.2° | 179.6° |
| C54 | C55 | N10 | H100 | 0.8° | 0.0° |
| C55 | C54 | N9 | C49 | 124.7° | 69.4° |
| C56 | C54 | C55 | O12 | 0.5° | 108.3° |
| C54 | C56 | C57 | H91 | 120.9° | 120.0° |
| C54 | C56 | C57 | H92 | 120.9° | 120.0° |
| C54 | C56 | C57 | C58 | 177.4° | 176.1° |
| C54 | C56 | C57 | C59 | 59.5° | 63.9° |
| C54 | C56 | H91 | H92 | 117.2° | 120.0° |
| C54 | C56 | C57 | H93 | 59.1° | 56.2° |
| C56 | C54 | N9 | C49 | 113.0° | 54.5° |
| C56 | C54 | C55 | N10 | 179.7° | 72.4° |
| O12 | C55 | C54 | H90 | 117.5° | 134.1° |
| O12 | C55 | N10 | C60 | 0.6° | 0.2° |
| O12 | C55 | N10 | H100 | 179.4° | 179.4° |
| C56 | C57 | C58 | C59 | 123.5° | 120.0° |
| C56 | C57 | C58 | H93 | 118.2° | 120.0° |
| C56 | C57 | C59 | H93 | 118.6° | 120.1° |
| C57 | C56 | C54 | H90 | 61.6° | 42.3° |
| C57 | C56 | H91 | H92 | 117.3° | 120.0° |
| C56 | C57 | C58 | H94 | 180.0° | 67.7° |
| C56 | C57 | C58 | H95 | 60.0° | 172.4° |
| C56 | C57 | C58 | H96 | 60.0° | 52.3° |
| C56 | C57 | C59 | H97 | 180.0° | 66.1° |
| C56 | C57 | C59 | H98 | 60.0° | 53.9° |
| C56 | C57 | C59 | H99 | 60.0° | 173.9° |
| C58 | C57 | C59 | H93 | 118.2° | 119.9° |
| C58 | C57 | C56 | H91 | 61.8° | 56.1° |
| C58 | C57 | C56 | H92 | 56.5° | 63.9° |
| C57 | C58 | H94 | H95 | 120.0° | 120.0° |
| C57 | C58 | H94 | H96 | 120.0° | 120.0° |
| C57 | C58 | H95 | H96 | 120.0° | 120.0° |
| C58 | C57 | C59 | H97 | 56.8° | 53.9° |
| C58 | C57 | C59 | H98 | 176.8° | 173.9° |
| C58 | C57 | C59 | H99 | 63.2° | 66.1° |
| C59 | C57 | C56 | H91 | 61.4° | 176.1° |
| C59 | C57 | C56 | H92 | 179.6° | 56.1° |
| C59 | C57 | C58 | H94 | 56.4° | 52.4° |
| C59 | C57 | C58 | H95 | 63.5° | 67.6° |
| C59 | C57 | C58 | H96 | 176.5° | 172.3° |
| C57 | C59 | H97 | H98 | 120.0° | 119.9° |
| C57 | C59 | H97 | H99 | 120.0° | 120.0° |
| C57 | C59 | H98 | H99 | 120.0° | 120.0° |
| H87 | C53 | H88 | H89 | 120.0° | 120.0° |
| H87 | C53 | N9 | C49 | 2.3° | 0.0° |
| H88 | C53 | N9 | C49 | 122.3° | 120.0° |
| H89 | C53 | N9 | C49 | 117.7° | 120.0° |
| H90 | C54 | C56 | H91 | 59.3° | 77.7° |
| H90 | C54 | C56 | H92 | 177.5° | 162.3° |
| H90 | C54 | N9 | C49 | 5.7° | 172.3° |
| H90 | C54 | C55 | N10 | 62.7° | 45.3° |
| H91 | C56 | C57 | H93 | 180.0° | 63.8° |
| H92 | C56 | C57 | H93 | 61.8° | 176.2° |
| H93 | C57 | C58 | H94 | 61.8° | 172.3° |
| H93 | C57 | C58 | H95 | 178.2° | 52.3° |
| H93 | C57 | C58 | H96 | 58.3° | 67.7° |
| H93 | C57 | C59 | H97 | 61.4° | 173.8° |
| H93 | C57 | C59 | H98 | 58.6° | 66.2° |
| H93 | C57 | C59 | H99 | 178.6° | 53.8° |
| H94 | C58 | H95 | H96 | 120.0° | 120.0° |
| H97 | C59 | H98 | H99 | 120.0° | 120.0° |
| C60 | N10 | H100 | C55 | 180.0° | 179.6° |
| N10 | C60 | C61 | H101 | 120.5° | 119.6° |
| N10 | C60 | C61 | H102 | 120.5° | 120.3° |
| N10 | C60 | H101 | H102 | 118.4° | 120.8° |
| N10 | C60 | C61 | O13 | 6.2° | 160.1° |
| N10 | C60 | C61 | O6 | 172.7° | 19.8° |
| H100 | N10 | C60 | C61 | 115.5° | 55.5° |
| H100 | N10 | C60 | H101 | 5.1° | 63.9° |
| H100 | N10 | C60 | H102 | 124.0° | 175.5° |
| C61 | C60 | H101 | H102 | 118.4° | 120.1° |
| C60 | C61 | O13 | O6 | 178.7° | 179.9° |
| C61 | C60 | N10 | C55 | 64.6° | 124.9° |
| H101 | C60 | C61 | O13 | 126.7° | 80.3° |
| H101 | C60 | C61 | O6 | 52.2° | 99.8° |
| H101 | C60 | N10 | C55 | 174.9° | 115.7° |
| H102 | C60 | C61 | O13 | 114.4° | 39.8° |
| H102 | C60 | C61 | O6 | 66.8° | 140.1° |
| H102 | C60 | N10 | C55 | 56.0° | 4.9° |
